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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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3949 |
1ego ![]() ![]() |
2151 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 868 H/Q atoms Start of MODEL 1 1 H MET 1 HN MET 1 -9.337 -3.989 8.448 2 HA MET 1 HA MET 1 -9.358 -4.178 6.190 3 1HB MET 1 2HB MET 1 -8.055 -1.439 6.400 4 2HB MET 1 3HB MET 1 -8.456 -2.181 4.857 5 1HG MET 1 2HG MET 1 -10.807 -2.290 5.463 6 2HG MET 1 3HG MET 1 -10.464 -1.741 7.085 7 1HE MET 1 1HE MET 1 -9.858 -1.061 3.517 8 2HE MET 1 2HE MET 1 -10.381 0.588 3.211 9 3HE MET 1 3HE MET 1 -8.777 0.285 3.880 10 QB MET 1 QB MET 1 -8.255 -1.810 5.629 11 QG MET 1 QG MET 1 -10.635 -2.015 6.274 12 QE MET 1 QE MET 1 -9.672 -0.062 3.536 13 H GLN 2 HN GLN 2 -7.771 -4.269 4.231 14 HA GLN 2 HA GLN 2 -5.113 -5.157 5.226 15 1HB GLN 2 2HB GLN 2 -6.378 -7.126 4.782 16 2HB GLN 2 3HB GLN 2 -7.054 -6.446 3.310 17 1HG GLN 2 2HG GLN 2 -5.414 -7.957 2.594 18 2HG GLN 2 3HG GLN 2 -4.639 -6.406 2.401 19 1HE2 GLN 2 2HE2 GLN 2 -1.978 -7.448 4.486 20 2HE2 GLN 2 1HE2 GLN 2 -2.452 -6.581 3.107 21 QB GLN 2 QB GLN 2 -6.716 -6.786 4.046 22 QG GLN 2 QG GLN 2 -5.026 -7.181 2.498 23 QE2 GLN 2 QE2 GLN 2 -2.215 -7.014 3.797 24 H THR 3 HN THR 3 -3.373 -4.672 3.868 25 HA THR 3 HA THR 3 -4.062 -3.199 1.344 26 HB THR 3 HB THR 3 -1.968 -2.476 3.441 27 HG1 THR 3 1HG THR 3 -4.489 -2.016 3.210 28 1HG2 THR 3 3HG2 THR 3 -2.652 -1.076 0.810 29 2HG2 THR 3 1HG2 THR 3 -1.483 -0.529 2.007 30 3HG2 THR 3 2HG2 THR 3 -1.162 -1.980 1.066 31 QG2 THR 3 QG2 THR 3 -1.765 -1.195 1.295 32 H VAL 4 HN VAL 4 -2.501 -3.367 -0.343 33 HA VAL 4 HA VAL 4 -0.467 -5.566 -0.038 34 HB VAL 4 HB VAL 4 -2.176 -5.208 -2.507 35 1HG1 VAL 4 3HG1 VAL 4 -0.081 -6.514 -2.693 36 2HG1 VAL 4 1HG1 VAL 4 -0.604 -7.548 -1.368 37 3HG1 VAL 4 2HG1 VAL 4 -1.485 -7.561 -2.893 38 1HG2 VAL 4 1HG2 VAL 4 -2.781 -7.037 -0.150 39 2HG2 VAL 4 2HG2 VAL 4 -3.757 -5.660 -0.662 40 3HG2 VAL 4 3HG2 VAL 4 -3.617 -7.070 -1.700 41 QG1 VAL 4 QG1 VAL 4 -0.723 -7.207 -2.318 42 QG2 VAL 4 QG2 VAL 4 -3.385 -6.589 -0.837 43 QQG VAL 4 QQG VAL 4 -2.054 -6.898 -1.577 44 H ILE 5 HN ILE 5 1.477 -4.858 -0.710 45 HA ILE 5 HA ILE 5 1.521 -2.463 -2.523 46 HB ILE 5 HB ILE 5 3.851 -3.480 -0.862 47 1HG1 ILE 5 2HG1 ILE 5 1.790 -1.379 -0.051 48 2HG1 ILE 5 3HG1 ILE 5 1.922 -2.984 0.651 49 1HG2 ILE 5 3HG2 ILE 5 4.316 -1.924 -2.752 50 2HG2 ILE 5 1HG2 ILE 5 3.173 -0.768 -2.079 51 3HG2 ILE 5 2HG2 ILE 5 4.651 -1.153 -1.210 52 1HD1 ILE 5 3HD1 ILE 5 4.218 -2.479 1.411 53 2HD1 ILE 5 1HD1 ILE 5 4.087 -0.865 0.717 54 3HD1 ILE 5 2HD1 ILE 5 3.055 -1.328 2.068 55 QG1 ILE 5 QG1 ILE 5 1.856 -2.181 0.300 56 QG2 ILE 5 QG2 ILE 5 4.047 -1.281 -2.013 57 QD1 ILE 5 QD1 ILE 5 3.787 -1.557 1.399 58 H PHE 6 HN PHE 6 2.103 -2.887 -4.589 59 HA PHE 6 HA PHE 6 3.501 -5.453 -5.197 60 1HB PHE 6 2HB PHE 6 1.884 -3.545 -6.941 61 2HB PHE 6 3HB PHE 6 2.777 -4.910 -7.579 62 HD1 PHE 6 HD2 PHE 6 0.150 -4.178 -4.965 63 HD2 PHE 6 HD1 PHE 6 1.667 -6.924 -7.842 64 HE1 PHE 6 HE2 PHE 6 -1.794 -5.643 -4.609 65 HE2 PHE 6 HE1 PHE 6 -0.253 -8.396 -7.456 66 HZ PHE 6 HZ PHE 6 -1.983 -7.760 -5.836 67 QB PHE 6 QB PHE 6 2.331 -4.227 -7.260 68 QR PHE 6 QR PHE 6 -0.057 -6.285 -6.218 69 H GLY 7 HN GLY 7 5.497 -4.362 -4.417 70 1HA GLY 7 1HA GLY 7 6.769 -2.899 -6.648 71 2HA GLY 7 2HA GLY 7 6.715 -2.027 -5.110 72 QA GLY 7 QA GLY 7 6.742 -2.463 -5.879 73 NH1 ARG 8 NH1 ARG 8 14.207 -5.990 -7.690 74 NH2 ARG 8 NH2 ARG 8 13.504 -7.193 -5.893 75 H ARG 8 HN ARG 8 9.142 -2.256 -5.604 76 HA ARG 8 HA ARG 8 10.063 -4.824 -4.358 77 1HB ARG 8 2HB ARG 8 11.711 -3.155 -6.291 78 2HB ARG 8 3HB ARG 8 12.059 -4.769 -5.688 79 1HG ARG 8 2HG ARG 8 9.802 -5.441 -6.802 80 2HG ARG 8 3HG ARG 8 9.950 -3.917 -7.672 81 1HD ARG 8 2HD ARG 8 10.987 -5.620 -9.033 82 2HD ARG 8 3HD ARG 8 12.286 -4.640 -8.352 83 HE ARG 8 HE ARG 8 11.453 -7.340 -7.301 84 1HH1 ARG 8 2HH1 ARG 8 13.988 -5.554 -8.557 85 2HH1 ARG 8 1HH1 ARG 8 15.140 -5.959 -7.343 86 1HH2 ARG 8 2HH2 ARG 8 12.740 -7.621 -5.394 87 2HH2 ARG 8 1HH2 ARG 8 14.422 -7.234 -5.515 88 QB ARG 8 QB ARG 8 11.885 -3.962 -5.989 89 QG ARG 8 QG ARG 8 9.876 -4.679 -7.237 90 QD ARG 8 QD ARG 8 11.637 -5.130 -8.692 91 QH1 ARG 8 QH1 ARG 8 14.564 -5.756 -7.950 92 QH2 ARG 8 QH2 ARG 8 13.581 -7.427 -5.454 93 H SER 9 HN SER 9 11.922 -4.615 -2.988 94 HA SER 9 HA SER 9 11.895 -2.200 -1.411 95 1HB SER 9 2HB SER 9 13.875 -4.514 -1.325 96 2HB SER 9 3HB SER 9 13.541 -3.357 -0.024 97 HG SER 9 HG SER 9 12.263 -5.259 0.210 98 QB SER 9 QB SER 9 13.708 -3.935 -0.674 99 H GLY 10 HN GLY 10 12.455 -0.715 -3.212 100 1HA GLY 10 1HA GLY 10 14.757 0.654 -3.036 101 2HA GLY 10 2HA GLY 10 15.344 -0.732 -3.937 102 QA GLY 10 QA GLY 10 15.051 -0.039 -3.486 103 H CYS 11 HN CYS 11 12.133 0.277 -4.612 104 HA CYS 11 HA CYS 11 13.059 1.701 -7.072 105 1HB CYS 11 2HB CYS 11 10.673 0.882 -7.852 106 2HB CYS 11 3HB CYS 11 12.081 -0.130 -8.001 107 QB CYS 11 QB CYS 11 11.377 0.376 -7.926 108 HA PRO 12 HA PRO 12 12.207 4.403 -3.797 109 1HB PRO 12 2HB PRO 12 11.029 6.365 -5.735 110 2HB PRO 12 3HB PRO 12 12.261 6.612 -4.494 111 1HG PRO 12 2HG PRO 12 12.764 6.205 -7.246 112 2HG PRO 12 3HG PRO 12 13.963 6.077 -5.956 113 1HD PRO 12 2HD PRO 12 12.953 3.940 -7.600 114 2HD PRO 12 3HD PRO 12 14.054 3.788 -6.214 115 QB PRO 12 QB PRO 12 11.645 6.489 -5.114 116 QG PRO 12 QG PRO 12 13.364 6.141 -6.601 117 QD PRO 12 QD PRO 12 13.504 3.864 -6.907 118 OH TYR 13 OH TYR 13 5.670 9.443 -8.756 119 H TYR 13 HN TYR 13 9.477 5.135 -5.983 120 HA TYR 13 HA TYR 13 7.414 5.568 -4.253 121 1HB TYR 13 2HB TYR 13 7.509 3.946 -6.775 122 2HB TYR 13 3HB TYR 13 5.989 4.097 -5.906 123 HD1 TYR 13 HD1 TYR 13 6.755 7.133 -5.034 124 HD2 TYR 13 HD2 TYR 13 6.544 5.018 -8.734 125 HE1 TYR 13 HE1 TYR 13 6.197 9.204 -6.198 126 HE2 TYR 13 HE2 TYR 13 5.932 7.095 -9.874 127 HH TYR 13 HH TYR 13 6.460 9.786 -9.186 128 QB TYR 13 QB TYR 13 6.749 4.022 -6.340 129 QR TYR 13 QR TYR 13 6.357 7.113 -7.460 130 H CYS 14 HN CYS 14 8.603 2.369 -5.076 131 HA CYS 14 HA CYS 14 6.756 0.748 -3.704 132 1HB CYS 14 2HB CYS 14 9.757 0.340 -3.880 133 2HB CYS 14 3HB CYS 14 8.567 -0.909 -3.653 134 QB CYS 14 QB CYS 14 9.162 -0.284 -3.766 135 H VAL 15 HN VAL 15 9.835 2.015 -2.556 136 HA VAL 15 HA VAL 15 9.609 1.066 0.112 137 HB VAL 15 HB VAL 15 11.084 3.519 -0.898 138 1HG1 VAL 15 2HG1 VAL 15 11.441 1.813 1.606 139 2HG1 VAL 15 3HG1 VAL 15 12.479 3.150 1.126 140 3HG1 VAL 15 1HG1 VAL 15 10.805 3.456 1.577 141 1HG2 VAL 15 1HG2 VAL 15 11.942 0.619 -0.539 142 2HG2 VAL 15 2HG2 VAL 15 11.692 1.429 -2.082 143 3HG2 VAL 15 3HG2 VAL 15 13.004 1.939 -1.024 144 QG1 VAL 15 QG1 VAL 15 11.575 2.807 1.437 145 QG2 VAL 15 QG2 VAL 15 12.213 1.329 -1.215 146 QQG VAL 15 QQG VAL 15 11.894 2.068 0.111 147 NH1 ARG 16 NH2 ARG 16 5.930 7.621 1.782 148 NH2 ARG 16 NH1 ARG 16 7.454 8.096 3.409 149 H ARG 16 HN ARG 16 8.761 4.115 -1.437 150 HA ARG 16 HA ARG 16 7.793 5.456 0.858 151 1HB ARG 16 2HB ARG 16 7.076 5.702 -2.049 152 2HB ARG 16 3HB ARG 16 6.297 6.700 -0.843 153 1HG ARG 16 2HG ARG 16 9.303 6.529 -0.920 154 2HG ARG 16 3HG ARG 16 8.455 7.605 -2.019 155 1HD ARG 16 2HD ARG 16 9.131 8.778 0.078 156 2HD ARG 16 3HD ARG 16 7.380 8.751 -0.111 157 HE ARG 16 HE ARG 16 8.765 6.722 1.631 158 1HH1 ARG 16 1HH2 ARG 16 5.733 7.341 0.840 159 2HH1 ARG 16 2HH2 ARG 16 5.170 7.806 2.396 160 1HH2 ARG 16 2HH1 ARG 16 8.414 8.158 3.686 161 2HH2 ARG 16 1HH1 ARG 16 6.732 8.309 4.071 162 QB ARG 16 QB ARG 16 6.687 6.201 -1.446 163 QG ARG 16 QG ARG 16 8.879 7.067 -1.469 164 QD ARG 16 QD ARG 16 8.256 8.765 -0.016 165 QH1 ARG 16 QH2 ARG 16 5.452 7.574 1.618 166 QH2 ARG 16 QH1 ARG 16 7.573 8.234 3.879 167 H ALA 17 HN ALA 17 5.868 3.571 -1.420 168 HA ALA 17 HA ALA 17 3.383 3.745 -0.097 169 1HB ALA 17 2HB ALA 17 3.711 2.615 -2.302 170 2HB ALA 17 3HB ALA 17 4.570 1.315 -1.490 171 3HB ALA 17 1HB ALA 17 2.855 1.571 -1.172 172 QB ALA 17 QB ALA 17 3.712 1.834 -1.654 173 H LYS 18 HN LYS 18 6.001 1.393 0.275 174 HA LYS 18 HA LYS 18 4.955 -0.076 2.446 175 1HB LYS 18 2HB LYS 18 6.884 -0.957 1.459 176 2HB LYS 18 3HB LYS 18 7.726 0.575 1.486 177 1HG LYS 18 2HG LYS 18 7.014 -0.502 4.162 178 2HG LYS 18 3HG LYS 18 8.178 -1.457 3.257 179 1HD LYS 18 2HD LYS 18 9.540 0.614 2.862 180 2HD LYS 18 3HD LYS 18 8.411 1.511 3.849 181 1HE LYS 18 2HE LYS 18 10.058 -0.837 4.796 182 2HE LYS 18 3HE LYS 18 10.362 0.860 5.165 183 1HZ LYS 18 3HZ LYS 18 7.713 0.386 5.819 184 2HZ LYS 18 1HZ LYS 18 8.569 -0.930 6.446 185 3HZ LYS 18 2HZ LYS 18 8.994 0.636 6.901 186 QB LYS 18 QB LYS 18 7.305 -0.191 1.473 187 QG LYS 18 QG LYS 18 7.596 -0.979 3.710 188 QD LYS 18 QD LYS 18 8.976 1.063 3.356 189 QE LYS 18 QE LYS 18 10.210 0.012 4.981 190 QZ LYS 18 QZ LYS 18 8.426 0.031 6.389 191 H ASP 19 HN ASP 19 7.159 2.725 2.664 192 HA ASP 19 HA ASP 19 7.199 3.084 5.402 193 1HB ASP 19 2HB ASP 19 6.840 5.347 3.393 194 2HB ASP 19 3HB ASP 19 7.595 5.456 4.969 195 QB ASP 19 QB ASP 19 7.218 5.402 4.181 196 H LEU 20 HN LEU 20 4.901 4.559 3.170 197 HA LEU 20 HA LEU 20 3.229 5.752 5.098 198 1HB LEU 20 2HB LEU 20 3.175 6.141 2.609 199 2HB LEU 20 3HB LEU 20 2.378 4.592 2.420 200 HG LEU 20 HG LEU 20 0.459 5.366 3.747 201 1HD1 LEU 20 3HD1 LEU 20 2.034 7.966 4.003 202 2HD1 LEU 20 1HD1 LEU 20 0.349 7.756 4.475 203 3HD1 LEU 20 2HD1 LEU 20 1.609 6.877 5.325 204 1HD2 LEU 20 2HD2 LEU 20 1.313 7.389 1.647 205 2HD2 LEU 20 3HD2 LEU 20 0.478 5.874 1.328 206 3HD2 LEU 20 1HD2 LEU 20 -0.341 7.152 2.219 207 QB LEU 20 QB LEU 20 2.777 5.367 2.515 208 QD1 LEU 20 QD1 LEU 20 1.331 7.533 4.601 209 QD2 LEU 20 QD2 LEU 20 0.484 6.805 1.732 210 QQD LEU 20 QQD LEU 20 0.907 7.169 3.166 211 H ALA 21 HN ALA 21 2.700 2.604 3.479 212 HA ALA 21 HA ALA 21 0.364 1.899 4.956 213 1HB ALA 21 1HB ALA 21 2.516 0.051 3.853 214 2HB ALA 21 2HB ALA 21 0.914 -0.458 4.368 215 3HB ALA 21 3HB ALA 21 1.092 0.599 2.973 216 QB ALA 21 QB ALA 21 1.508 0.064 3.732 217 H GLU 22 HN GLU 22 3.764 1.038 5.529 218 HA GLU 22 HA GLU 22 3.435 -0.465 7.868 219 1HB GLU 22 2HB GLU 22 5.557 -0.036 6.562 220 2HB GLU 22 3HB GLU 22 5.646 1.545 7.324 221 1HG GLU 22 2HG GLU 22 6.084 0.647 9.435 222 2HG GLU 22 3HG GLU 22 5.327 -0.899 9.061 223 QB GLU 22 QB GLU 22 5.602 0.755 6.943 224 QG GLU 22 QG GLU 22 5.706 -0.126 9.248 225 H LYS 23 HN LYS 23 3.821 3.024 7.473 226 HA LYS 23 HA LYS 23 3.637 3.817 10.164 227 1HB LYS 23 2HB LYS 23 3.999 5.205 7.986 228 2HB LYS 23 3HB LYS 23 2.253 5.309 7.923 229 1HG LYS 23 2HG LYS 23 3.746 6.052 10.443 230 2HG LYS 23 3HG LYS 23 3.575 7.207 9.140 231 1HD LYS 23 2HD LYS 23 1.209 5.827 10.476 232 2HD LYS 23 3HD LYS 23 1.840 7.392 10.947 233 1HE LYS 23 2HE LYS 23 1.530 8.051 8.440 234 2HE LYS 23 3HE LYS 23 0.484 6.638 8.355 235 1HZ LYS 23 1HZ LYS 23 -0.268 8.027 10.642 236 2HZ LYS 23 2HZ LYS 23 -0.090 9.190 9.425 237 3HZ LYS 23 3HZ LYS 23 -1.146 7.903 9.190 238 QB LYS 23 QB LYS 23 3.126 5.257 7.955 239 QG LYS 23 QG LYS 23 3.661 6.630 9.792 240 QD LYS 23 QD LYS 23 1.525 6.610 10.712 241 QE LYS 23 QE LYS 23 1.007 7.345 8.398 242 QZ LYS 23 QZ LYS 23 -0.501 8.374 9.753 243 H LEU 24 HN LEU 24 0.876 3.783 7.889 244 HA LEU 24 HA LEU 24 -1.213 4.361 9.604 245 1HB LEU 24 2HB LEU 24 -1.128 2.261 7.423 246 2HB LEU 24 3HB LEU 24 -2.616 2.738 8.231 247 HG LEU 24 HG LEU 24 -0.765 4.743 6.898 248 1HD1 LEU 24 1HD1 LEU 24 -3.213 3.314 5.801 249 2HD1 LEU 24 2HD1 LEU 24 -2.393 4.653 5.013 250 3HD1 LEU 24 3HD1 LEU 24 -1.567 3.121 5.221 251 1HD2 LEU 24 1HD2 LEU 24 -3.687 4.844 7.744 252 2HD2 LEU 24 2HD2 LEU 24 -2.363 5.620 8.603 253 3HD2 LEU 24 3HD2 LEU 24 -2.800 6.162 6.992 254 QB LEU 24 QB LEU 24 -1.872 2.500 7.827 255 QD1 LEU 24 QD1 LEU 24 -2.391 3.696 5.345 256 QD2 LEU 24 QD2 LEU 24 -2.950 5.542 7.780 257 QQD LEU 24 QQD LEU 24 -2.670 4.619 6.563 258 H SER 25 HN SER 25 0.168 1.156 9.205 259 HA SER 25 HA SER 25 -1.386 -0.457 10.762 260 1HB SER 25 2HB SER 25 1.593 -0.459 11.274 261 2HB SER 25 3HB SER 25 0.493 -1.839 11.067 262 HG SER 25 HG SER 25 1.700 -0.205 9.192 263 QB SER 25 QB SER 25 1.043 -1.149 11.171 264 H ASN 26 HN ASN 26 0.723 2.050 12.077 265 HA ASN 26 HA ASN 26 0.107 1.204 14.866 266 1HB ASN 26 2HB ASN 26 2.060 3.197 13.676 267 2HB ASN 26 3HB ASN 26 1.894 2.903 15.405 268 1HD2 ASN 26 2HD2 ASN 26 4.019 0.337 13.170 269 2HD2 ASN 26 1HD2 ASN 26 3.420 1.796 12.549 270 QB ASN 26 QB ASN 26 1.977 3.050 14.541 271 QD2 ASN 26 QD2 ASN 26 3.720 1.067 12.860 272 H GLU 27 HN GLU 27 -1.544 2.947 12.838 273 HA GLU 27 HA GLU 27 -2.405 4.932 14.889 274 1HB GLU 27 2HB GLU 27 -1.681 5.321 12.012 275 2HB GLU 27 3HB GLU 27 -3.044 6.240 12.626 276 1HG GLU 27 2HG GLU 27 -1.644 7.168 14.425 277 2HG GLU 27 3HG GLU 27 -0.278 6.197 13.883 278 QB GLU 27 QB GLU 27 -2.362 5.781 12.319 279 QG GLU 27 QG GLU 27 -0.961 6.683 14.154 280 NH1 ARG 28 NH2 ARG 28 -6.174 6.230 12.735 281 NH2 ARG 28 NH1 ARG 28 -7.207 7.803 11.456 282 H ARG 28 HN ARG 28 -3.239 2.842 12.220 283 HA ARG 28 HA ARG 28 -6.129 3.423 12.602 284 1HB ARG 28 2HB ARG 28 -4.654 1.798 10.503 285 2HB ARG 28 3HB ARG 28 -6.392 2.083 10.499 286 1HG ARG 28 2HG ARG 28 -4.338 4.332 10.525 287 2HG ARG 28 3HG ARG 28 -5.008 3.675 9.039 288 1HD ARG 28 2HD ARG 28 -7.011 4.735 9.330 289 2HD ARG 28 3HD ARG 28 -7.062 4.379 11.051 290 HE ARG 28 HE ARG 28 -5.396 6.632 9.930 291 1HH1 ARG 28 2HH2 ARG 28 -5.584 5.423 12.771 292 2HH1 ARG 28 1HH2 ARG 28 -6.510 6.622 13.584 293 1HH2 ARG 28 2HH1 ARG 28 -7.394 8.149 10.529 294 2HH2 ARG 28 1HH1 ARG 28 -7.597 8.269 12.248 295 QB ARG 28 QB ARG 28 -5.523 1.941 10.501 296 QG ARG 28 QG ARG 28 -4.673 4.004 9.782 297 QD ARG 28 QD ARG 28 -7.036 4.557 10.191 298 QH1 ARG 28 QH2 ARG 28 -6.047 6.023 13.178 299 QH2 ARG 28 QH1 ARG 28 -7.495 8.209 11.389 300 H ASP 29 HN ASP 29 -3.846 0.904 13.262 301 HA ASP 29 HA ASP 29 -4.060 -1.061 14.493 302 1HB ASP 29 2HB ASP 29 -6.950 -0.285 14.995 303 2HB ASP 29 3HB ASP 29 -5.941 -1.350 15.967 304 QB ASP 29 QB ASP 29 -6.445 -0.817 15.481 305 H ASP 30 HN ASP 30 -7.222 -0.646 12.879 306 HA ASP 30 HA ASP 30 -7.117 -3.437 11.973 307 1HB ASP 30 2HB ASP 30 -9.301 -2.567 12.590 308 2HB ASP 30 3HB ASP 30 -9.098 -1.180 11.530 309 QB ASP 30 QB ASP 30 -9.199 -1.873 12.060 310 H PHE 31 HN PHE 31 -4.923 -2.434 11.082 311 HA PHE 31 HA PHE 31 -5.344 -2.053 8.168 312 1HB PHE 31 2HB PHE 31 -5.012 0.214 9.111 313 2HB PHE 31 3HB PHE 31 -3.512 -0.319 9.865 314 HD1 PHE 31 HD2 PHE 31 -5.182 0.296 6.609 315 HD2 PHE 31 HD1 PHE 31 -1.494 -0.614 8.542 316 HE1 PHE 31 HE2 PHE 31 -3.985 0.564 4.475 317 HE2 PHE 31 HE1 PHE 31 -0.318 -0.340 6.427 318 HZ PHE 31 HZ PHE 31 -1.557 0.254 4.384 319 QB PHE 31 QB PHE 31 -4.262 -0.052 9.488 320 QR PHE 31 QR PHE 31 -2.744 -0.023 6.514 321 H GLN 32 HN GLN 32 -4.597 -4.139 7.833 322 HA GLN 32 HA GLN 32 -1.749 -4.637 8.651 323 1HB GLN 32 2HB GLN 32 -3.872 -6.663 7.826 324 2HB GLN 32 3HB GLN 32 -2.254 -7.028 8.412 325 1HG GLN 32 2HG GLN 32 -4.199 -5.406 10.084 326 2HG GLN 32 3HG GLN 32 -4.188 -7.164 10.140 327 1HE2 GLN 32 2HE2 GLN 32 -1.613 -7.080 12.521 328 2HE2 GLN 32 1HE2 GLN 32 -3.072 -7.764 11.992 329 QB GLN 32 QB GLN 32 -3.063 -6.845 8.119 330 QG GLN 32 QG GLN 32 -4.193 -6.285 10.112 331 QE2 GLN 32 QE2 GLN 32 -2.342 -7.422 12.257 332 OH TYR 33 OH TYR 33 4.900 -3.292 7.866 333 H TYR 33 HN TYR 33 -0.292 -4.656 6.985 334 HA TYR 33 HA TYR 33 -1.437 -4.673 4.220 335 1HB TYR 33 2HB TYR 33 0.560 -3.401 3.529 336 2HB TYR 33 3HB TYR 33 -0.352 -2.553 4.769 337 HD1 TYR 33 HD1 TYR 33 0.499 -2.540 7.156 338 HD2 TYR 33 HD2 TYR 33 2.796 -4.161 3.945 339 HE1 TYR 33 HE1 TYR 33 2.500 -2.476 8.548 340 HE2 TYR 33 HE2 TYR 33 4.814 -4.043 5.345 341 HH TYR 33 HH TYR 33 5.587 -2.704 7.508 342 QB TYR 33 QB TYR 33 0.104 -2.977 4.149 343 QR TYR 33 QR TYR 33 2.653 -3.305 6.249 344 H GLN 34 HN GLN 34 -0.133 -5.676 2.561 345 HA GLN 34 HA GLN 34 1.685 -7.824 3.581 346 1HB GLN 34 2HB GLN 34 -0.332 -8.930 2.837 347 2HB GLN 34 3HB GLN 34 -0.428 -7.939 1.390 348 1HG GLN 34 2HG GLN 34 0.414 -10.193 0.829 349 2HG GLN 34 3HG GLN 34 1.679 -9.010 0.544 350 1HE2 GLN 34 2HE2 GLN 34 3.815 -11.004 2.555 351 2HE2 GLN 34 1HE2 GLN 34 3.604 -10.174 1.085 352 QB GLN 34 QB GLN 34 -0.380 -8.434 2.114 353 QG GLN 34 QG GLN 34 1.047 -9.601 0.687 354 QE2 GLN 34 QE2 GLN 34 3.710 -10.589 1.820 355 OH TYR 35 OH TYR 35 9.485 -3.968 -1.543 356 H TYR 35 HN TYR 35 3.495 -8.224 2.302 357 HA TYR 35 HA TYR 35 4.113 -6.007 0.404 358 1HB TYR 35 2HB TYR 35 5.598 -6.545 2.460 359 2HB TYR 35 3HB TYR 35 6.086 -7.991 1.580 360 HD1 TYR 35 HD1 TYR 35 6.785 -7.526 -0.965 361 HD2 TYR 35 HD2 TYR 35 6.909 -4.606 2.135 362 HE1 TYR 35 HE1 TYR 35 8.342 -6.192 -2.289 363 HE2 TYR 35 HE2 TYR 35 8.525 -3.298 0.817 364 HH TYR 35 HH TYR 35 10.365 -4.178 -1.183 365 QB TYR 35 QB TYR 35 5.842 -7.268 2.020 366 QR TYR 35 QR TYR 35 7.641 -5.405 -0.075 367 H VAL 36 HN VAL 36 4.293 -6.442 -1.698 368 HA VAL 36 HA VAL 36 4.684 -9.257 -2.591 369 HB VAL 36 HB VAL 36 2.518 -7.253 -3.185 370 1HG1 VAL 36 1HG1 VAL 36 3.660 -7.489 -5.413 371 2HG1 VAL 36 2HG1 VAL 36 3.511 -9.241 -5.286 372 3HG1 VAL 36 3HG1 VAL 36 2.070 -8.237 -5.401 373 1HG2 VAL 36 3HG2 VAL 36 2.139 -9.301 -1.851 374 2HG2 VAL 36 1HG2 VAL 36 1.196 -9.336 -3.338 375 3HG2 VAL 36 2HG2 VAL 36 2.668 -10.294 -3.209 376 QG1 VAL 36 QG1 VAL 36 3.081 -8.322 -5.366 377 QG2 VAL 36 QG2 VAL 36 2.001 -9.643 -2.799 378 QQG VAL 36 QQG VAL 36 2.541 -8.983 -4.083 379 H ASP 37 HN ASP 37 6.219 -9.452 -4.178 380 HA ASP 37 HA ASP 37 7.598 -6.962 -5.129 381 1HB ASP 37 2HB ASP 37 8.937 -8.477 -3.674 382 2HB ASP 37 3HB ASP 37 8.715 -9.764 -4.835 383 QB ASP 37 QB ASP 37 8.826 -9.120 -4.254 384 H ILE 38 HN ILE 38 6.999 -6.506 -7.087 385 HA ILE 38 HA ILE 38 5.664 -8.025 -8.981 386 HB ILE 38 HB ILE 38 6.615 -6.354 -10.662 387 1HG1 ILE 38 2HG1 ILE 38 7.778 -5.071 -8.172 388 2HG1 ILE 38 3HG1 ILE 38 8.734 -6.112 -9.216 389 1HG2 ILE 38 2HG2 ILE 38 5.391 -5.353 -8.059 390 2HG2 ILE 38 3HG2 ILE 38 5.383 -4.463 -9.580 391 3HG2 ILE 38 1HG2 ILE 38 4.499 -5.975 -9.441 392 1HD1 ILE 38 1HD1 ILE 38 7.249 -3.615 -10.109 393 2HD1 ILE 38 2HD1 ILE 38 8.986 -3.711 -9.838 394 3HD1 ILE 38 3HD1 ILE 38 8.244 -4.628 -11.148 395 QG1 ILE 38 QG1 ILE 38 8.256 -5.591 -8.694 396 QG2 ILE 38 QG2 ILE 38 5.091 -5.263 -9.026 397 QD1 ILE 38 QD1 ILE 38 8.160 -3.984 -10.365 398 NH1 ARG 39 NH2 ARG 39 8.140 -9.079 -13.068 399 NH2 ARG 39 NH1 ARG 39 9.449 -8.452 -14.812 400 H ARG 39 HN ARG 39 9.120 -8.039 -8.423 401 HA ARG 39 HA ARG 39 9.494 -9.669 -10.894 402 1HB ARG 39 2HB ARG 39 11.520 -8.272 -9.121 403 2HB ARG 39 3HB ARG 39 11.936 -9.238 -10.526 404 1HG ARG 39 2HG ARG 39 9.940 -7.013 -10.855 405 2HG ARG 39 3HG ARG 39 11.641 -6.596 -10.723 406 1HD ARG 39 2HD ARG 39 10.852 -6.910 -13.091 407 2HD ARG 39 3HD ARG 39 12.208 -7.942 -12.646 408 HE ARG 39 HE ARG 39 10.657 -9.850 -12.537 409 1HH1 ARG 39 2HH2 ARG 39 8.054 -9.333 -12.104 410 2HH1 ARG 39 1HH2 ARG 39 7.315 -9.017 -13.635 411 1HH2 ARG 39 2HH1 ARG 39 10.364 -8.267 -15.171 412 2HH2 ARG 39 1HH1 ARG 39 8.649 -8.353 -15.409 413 QB ARG 39 QB ARG 39 11.728 -8.755 -9.823 414 QG ARG 39 QG ARG 39 10.791 -6.804 -10.789 415 QD ARG 39 QD ARG 39 11.530 -7.426 -12.868 416 QH1 ARG 39 QH2 ARG 39 7.685 -9.175 -12.869 417 QH2 ARG 39 QH1 ARG 39 9.507 -8.310 -15.290 418 H ALA 40 HN ALA 40 8.486 -10.463 -8.113 419 HA ALA 40 HA ALA 40 10.359 -12.788 -7.789 420 1HB ALA 40 3HB ALA 40 10.315 -11.186 -5.829 421 2HB ALA 40 1HB ALA 40 8.592 -11.519 -5.667 422 3HB ALA 40 2HB ALA 40 9.764 -12.808 -5.421 423 QB ALA 40 QB ALA 40 9.557 -11.837 -5.639 424 H GLU 41 HN GLU 41 7.127 -11.536 -7.481 425 HA GLU 41 HA GLU 41 5.811 -14.106 -7.286 426 1HB GLU 41 2HB GLU 41 5.094 -11.632 -6.593 427 2HB GLU 41 3HB GLU 41 4.408 -11.610 -8.212 428 1HG GLU 41 2HG GLU 41 3.077 -13.612 -7.707 429 2HG GLU 41 3HG GLU 41 3.822 -13.727 -6.114 430 QB GLU 41 QB GLU 41 4.751 -11.621 -7.402 431 QG GLU 41 QG GLU 41 3.450 -13.669 -6.910 432 H GLY 42 HN GLY 42 6.222 -11.746 -9.920 433 1HA GLY 42 1HA GLY 42 6.712 -12.726 -12.181 434 2HA GLY 42 2HA GLY 42 5.491 -13.935 -11.834 435 QA GLY 42 QA GLY 42 6.102 -13.330 -12.007 436 H ILE 43 HN ILE 43 5.703 -10.361 -11.948 437 HA ILE 43 HA ILE 43 3.026 -10.383 -13.284 438 HB ILE 43 HB ILE 43 4.454 -8.209 -11.696 439 1HG1 ILE 43 2HG1 ILE 43 2.074 -10.005 -11.080 440 2HG1 ILE 43 3HG1 ILE 43 3.659 -10.108 -10.329 441 1HG2 ILE 43 3HG2 ILE 43 2.950 -7.316 -13.498 442 2HG2 ILE 43 1HG2 ILE 43 1.630 -8.264 -12.821 443 3HG2 ILE 43 2HG2 ILE 43 2.348 -6.960 -11.888 444 1HD1 ILE 43 1HD1 ILE 43 3.354 -7.816 -9.415 445 2HD1 ILE 43 2HD1 ILE 43 1.738 -7.765 -10.116 446 3HD1 ILE 43 3HD1 ILE 43 2.114 -8.927 -8.849 447 QG1 ILE 43 QG1 ILE 43 2.867 -10.056 -10.704 448 QG2 ILE 43 QG2 ILE 43 2.310 -7.513 -12.735 449 QD1 ILE 43 QD1 ILE 43 2.402 -8.169 -9.460 450 H THR 44 HN THR 44 2.765 -9.265 -15.220 451 HA THR 44 HA THR 44 5.296 -8.260 -16.476 452 HB THR 44 HB THR 44 4.345 -9.040 -18.653 453 HG1 THR 44 1HG THR 44 2.250 -10.011 -16.946 454 1HG2 THR 44 2HG2 THR 44 5.595 -10.678 -17.159 455 2HG2 THR 44 3HG2 THR 44 4.052 -11.148 -16.458 456 3HG2 THR 44 1HG2 THR 44 4.374 -11.451 -18.164 457 QG2 THR 44 QG2 THR 44 4.674 -11.092 -17.260 458 H LYS 45 HN LYS 45 2.262 -7.857 -18.041 459 HA LYS 45 HA LYS 45 2.008 -5.006 -17.147 460 1HB LYS 45 2HB LYS 45 1.640 -5.713 -20.068 461 2HB LYS 45 3HB LYS 45 1.882 -4.136 -19.358 462 1HG LYS 45 2HG LYS 45 4.009 -4.441 -20.184 463 2HG LYS 45 3HG LYS 45 4.221 -5.223 -18.627 464 1HD LYS 45 2HD LYS 45 5.024 -6.911 -19.990 465 2HD LYS 45 3HD LYS 45 3.326 -7.362 -19.973 466 1HE LYS 45 2HE LYS 45 4.498 -5.519 -22.079 467 2HE LYS 45 3HE LYS 45 4.460 -7.263 -22.269 468 1HZ LYS 45 1HZ LYS 45 1.884 -6.527 -21.536 469 2HZ LYS 45 2HZ LYS 45 2.379 -5.405 -22.714 470 3HZ LYS 45 3HZ LYS 45 2.422 -7.069 -23.034 471 QB LYS 45 QB LYS 45 1.761 -4.924 -19.713 472 QG LYS 45 QG LYS 45 4.115 -4.832 -19.405 473 QD LYS 45 QD LYS 45 4.175 -7.136 -19.981 474 QE LYS 45 QE LYS 45 4.479 -6.391 -22.174 475 QZ LYS 45 QZ LYS 45 2.229 -6.333 -22.428 476 H GLU 46 HN GLU 46 0.772 -7.586 -19.168 477 HA GLU 46 HA GLU 46 -1.945 -6.925 -19.276 478 1HB GLU 46 2HB GLU 46 -0.524 -9.608 -19.195 479 2HB GLU 46 3HB GLU 46 -2.256 -9.479 -19.457 480 1HG GLU 46 2HG GLU 46 -0.896 -9.617 -21.599 481 2HG GLU 46 3HG GLU 46 -1.927 -8.196 -21.500 482 QB GLU 46 QB GLU 46 -1.390 -9.543 -19.326 483 QG GLU 46 QG GLU 46 -1.411 -8.906 -21.549 484 H ASP 47 HN ASP 47 -0.276 -8.937 -16.840 485 HA ASP 47 HA ASP 47 -2.338 -9.554 -15.080 486 1HB ASP 47 2HB ASP 47 0.400 -8.490 -14.303 487 2HB ASP 47 3HB ASP 47 -0.658 -9.413 -13.251 488 QB ASP 47 QB ASP 47 -0.129 -8.951 -13.777 489 H LEU 48 HN LEU 48 -0.237 -6.751 -14.737 490 HA LEU 48 HA LEU 48 -1.686 -5.382 -12.751 491 1HB LEU 48 2HB LEU 48 0.013 -4.341 -15.053 492 2HB LEU 48 3HB LEU 48 -0.609 -3.291 -13.790 493 HG LEU 48 HG LEU 48 1.077 -5.750 -13.222 494 1HD1 LEU 48 1HD1 LEU 48 2.331 -4.059 -14.565 495 2HD1 LEU 48 2HD1 LEU 48 1.928 -2.839 -13.362 496 3HD1 LEU 48 3HD1 LEU 48 2.958 -4.197 -12.929 497 1HD2 LEU 48 1HD2 LEU 48 0.327 -3.329 -11.528 498 2HD2 LEU 48 2HD2 LEU 48 -0.303 -4.958 -11.320 499 3HD2 LEU 48 3HD2 LEU 48 1.397 -4.634 -11.018 500 QB LEU 48 QB LEU 48 -0.298 -3.816 -14.421 501 QD1 LEU 48 QD1 LEU 48 2.406 -3.698 -13.618 502 QD2 LEU 48 QD2 LEU 48 0.474 -4.307 -11.288 503 QQD LEU 48 QQD LEU 48 1.440 -4.002 -12.453 504 H GLN 49 HN GLN 49 -1.998 -4.999 -16.312 505 HA GLN 49 HA GLN 49 -4.091 -3.073 -16.163 506 1HB GLN 49 2HB GLN 49 -3.460 -5.176 -18.252 507 2HB GLN 49 3HB GLN 49 -4.801 -4.048 -18.441 508 1HG GLN 49 2HG GLN 49 -3.203 -2.135 -18.124 509 2HG GLN 49 3HG GLN 49 -1.869 -3.287 -18.069 510 1HE2 GLN 49 2HE2 GLN 49 -2.617 -4.178 -21.623 511 2HE2 GLN 49 1HE2 GLN 49 -2.603 -5.051 -20.174 512 QB GLN 49 QB GLN 49 -4.130 -4.612 -18.346 513 QG GLN 49 QG GLN 49 -2.536 -2.711 -18.096 514 QE2 GLN 49 QE2 GLN 49 -2.610 -4.614 -20.898 515 H GLN 50 HN GLN 50 -4.229 -6.569 -15.976 516 HA GLN 50 HA GLN 50 -7.128 -6.725 -15.963 517 1HB GLN 50 2HB GLN 50 -5.531 -8.579 -16.596 518 2HB GLN 50 3HB GLN 50 -5.087 -8.713 -14.907 519 1HG GLN 50 2HG GLN 50 -7.631 -9.040 -14.462 520 2HG GLN 50 3HG GLN 50 -7.745 -9.352 -16.193 521 1HE2 GLN 50 2HE2 GLN 50 -6.050 -12.106 -13.743 522 2HE2 GLN 50 1HE2 GLN 50 -6.593 -10.611 -13.147 523 QB GLN 50 QB GLN 50 -5.309 -8.646 -15.751 524 QG GLN 50 QG GLN 50 -7.688 -9.196 -15.327 525 QE2 GLN 50 QE2 GLN 50 -6.321 -11.358 -13.445 526 H LYS 51 HN LYS 51 -4.679 -6.710 -13.459 527 HA LYS 51 HA LYS 51 -6.641 -7.059 -11.299 528 1HB LYS 51 2HB LYS 51 -3.861 -7.486 -11.630 529 2HB LYS 51 3HB LYS 51 -3.987 -6.242 -10.406 530 1HG LYS 51 2HG LYS 51 -5.960 -8.069 -9.647 531 2HG LYS 51 3HG LYS 51 -4.696 -9.099 -10.283 532 1HD LYS 51 2HD LYS 51 -4.225 -8.817 -7.938 533 2HD LYS 51 3HD LYS 51 -3.039 -7.879 -8.826 534 1HE LYS 51 2HE LYS 51 -4.085 -6.703 -6.808 535 2HE LYS 51 3HE LYS 51 -4.112 -5.827 -8.323 536 1HZ LYS 51 2HZ LYS 51 -6.438 -7.396 -8.116 537 2HZ LYS 51 3HZ LYS 51 -6.279 -6.479 -6.693 538 3HZ LYS 51 1HZ LYS 51 -6.302 -5.712 -8.239 539 QB LYS 51 QB LYS 51 -3.924 -6.864 -11.018 540 QG LYS 51 QG LYS 51 -5.328 -8.584 -9.965 541 QD LYS 51 QD LYS 51 -3.632 -8.348 -8.382 542 QE LYS 51 QE LYS 51 -4.098 -6.265 -7.565 543 QZ LYS 51 QZ LYS 51 -6.339 -6.529 -7.682 544 H ALA 52 HN ALA 52 -4.891 -4.416 -12.647 545 HA ALA 52 HA ALA 52 -5.948 -2.547 -10.568 546 1HB ALA 52 1HB ALA 52 -3.458 -2.734 -10.616 547 2HB ALA 52 2HB ALA 52 -3.475 -2.320 -12.319 548 3HB ALA 52 3HB ALA 52 -3.976 -1.142 -11.126 549 QB ALA 52 QB ALA 52 -3.636 -2.065 -11.353 550 H GLY 53 HN GLY 53 -5.357 -3.021 -13.961 551 1HA GLY 53 1HA GLY 53 -7.041 -2.156 -15.595 552 2HA GLY 53 2HA GLY 53 -7.168 -0.705 -14.587 553 QA GLY 53 QA GLY 53 -7.104 -1.430 -15.091 554 H LYS 54 HN LYS 54 -4.591 -0.340 -13.926 555 HA LYS 54 HA LYS 54 -2.731 0.855 -14.546 556 1HB LYS 54 2HB LYS 54 -2.503 -1.666 -15.584 557 2HB LYS 54 3HB LYS 54 -2.262 -0.678 -17.020 558 1HG LYS 54 2HG LYS 54 -0.547 0.635 -15.842 559 2HG LYS 54 3HG LYS 54 -0.819 -0.288 -14.379 560 1HD LYS 54 2HD LYS 54 0.210 -2.207 -15.227 561 2HD LYS 54 3HD LYS 54 -0.092 -1.766 -16.899 562 1HE LYS 54 2HE LYS 54 2.329 -1.534 -16.069 563 2HE LYS 54 3HE LYS 54 1.648 -0.139 -16.891 564 1HZ LYS 54 3HZ LYS 54 1.107 -0.014 -14.086 565 2HZ LYS 54 1HZ LYS 54 2.778 -0.165 -14.362 566 3HZ LYS 54 2HZ LYS 54 1.912 1.082 -15.116 567 QB LYS 54 QB LYS 54 -2.382 -1.172 -16.302 568 QG LYS 54 QG LYS 54 -0.683 0.174 -15.110 569 QD LYS 54 QD LYS 54 0.059 -1.986 -16.063 570 QE LYS 54 QE LYS 54 1.989 -0.836 -16.480 571 QZ LYS 54 QZ LYS 54 1.933 0.301 -14.521 572 HA PRO 55 HA PRO 55 -3.592 3.998 -17.641 573 1HB PRO 55 2HB PRO 55 -1.861 5.071 -15.438 574 2HB PRO 55 3HB PRO 55 -3.134 5.888 -16.355 575 1HG PRO 55 2HG PRO 55 -3.540 5.040 -13.794 576 2HG PRO 55 3HG PRO 55 -4.845 5.031 -14.986 577 1HD PRO 55 2HD PRO 55 -3.268 2.734 -13.895 578 2HD PRO 55 3HD PRO 55 -4.935 2.756 -14.505 579 QB PRO 55 QB PRO 55 -2.497 5.480 -15.896 580 QG PRO 55 QG PRO 55 -4.192 5.036 -14.390 581 QD PRO 55 QD PRO 55 -4.101 2.745 -14.200 582 H VAL 56 HN VAL 56 -1.333 5.171 -18.307 583 HA VAL 56 HA VAL 56 0.426 2.888 -18.919 584 HB VAL 56 HB VAL 56 0.825 5.669 -19.928 585 1HG1 VAL 56 3HG1 VAL 56 1.342 2.904 -21.070 586 2HG1 VAL 56 1HG1 VAL 56 1.683 4.414 -21.913 587 3HG1 VAL 56 2HG1 VAL 56 2.562 4.006 -20.443 588 1HG2 VAL 56 3HG2 VAL 56 -1.107 3.585 -21.011 589 2HG2 VAL 56 1HG2 VAL 56 -1.564 5.124 -20.295 590 3HG2 VAL 56 2HG2 VAL 56 -0.695 5.090 -21.821 591 QG1 VAL 56 QG1 VAL 56 1.863 3.775 -21.142 592 QG2 VAL 56 QG2 VAL 56 -1.122 4.600 -21.042 593 QQG VAL 56 QQG VAL 56 0.371 4.188 -21.092 594 H GLU 57 HN GLU 57 0.703 3.102 -16.462 595 HA GLU 57 HA GLU 57 3.046 4.824 -15.769 596 1HB GLU 57 2HB GLU 57 2.434 4.307 -13.419 597 2HB GLU 57 3HB GLU 57 1.012 4.887 -14.276 598 1HG GLU 57 2HG GLU 57 0.401 2.447 -14.721 599 2HG GLU 57 3HG GLU 57 1.705 2.009 -13.616 600 QB GLU 57 QB GLU 57 1.723 4.597 -13.847 601 QG GLU 57 QG GLU 57 1.053 2.228 -14.168 602 H THR 58 HN THR 58 4.507 3.428 -14.054 603 HA THR 58 HA THR 58 4.937 0.783 -15.407 604 HB THR 58 HB THR 58 7.125 2.511 -14.147 605 HG1 THR 58 1HG THR 58 5.651 2.715 -16.381 606 1HG2 THR 58 2HG2 THR 58 7.583 -0.002 -14.506 607 2HG2 THR 58 3HG2 THR 58 7.182 0.235 -16.202 608 3HG2 THR 58 1HG2 THR 58 8.584 1.044 -15.507 609 QG2 THR 58 QG2 THR 58 7.783 0.426 -15.405 610 H VAL 59 HN VAL 59 6.929 1.426 -12.683 611 HA VAL 59 HA VAL 59 5.038 0.004 -10.903 612 HB VAL 59 HB VAL 59 6.940 -1.382 -10.113 613 1HG1 VAL 59 1HG1 VAL 59 6.349 -1.545 -13.084 614 2HG1 VAL 59 2HG1 VAL 59 6.997 -2.859 -12.113 615 3HG1 VAL 59 3HG1 VAL 59 5.372 -2.251 -11.802 616 1HG2 VAL 59 3HG2 VAL 59 8.397 -0.129 -12.456 617 2HG2 VAL 59 1HG2 VAL 59 8.782 0.112 -10.755 618 3HG2 VAL 59 2HG2 VAL 59 8.998 -1.472 -11.493 619 QG1 VAL 59 QG1 VAL 59 6.240 -2.218 -12.333 620 QG2 VAL 59 QG2 VAL 59 8.726 -0.496 -11.568 621 QQG VAL 59 QQG VAL 59 7.483 -1.357 -11.950 622 HA PRO 60 HA PRO 60 5.189 -0.831 -9.018 623 1HB PRO 60 2HB PRO 60 4.793 -0.644 -6.371 624 2HB PRO 60 3HB PRO 60 6.419 -0.939 -7.002 625 1HG PRO 60 2HG PRO 60 5.238 1.642 -5.984 626 2HG PRO 60 3HG PRO 60 6.854 0.992 -5.748 627 1HD PRO 60 2HD PRO 60 6.125 2.881 -7.715 628 2HD PRO 60 3HD PRO 60 7.644 1.952 -7.689 629 QB PRO 60 QB PRO 60 5.606 -0.791 -6.686 630 QG PRO 60 QG PRO 60 6.046 1.317 -5.866 631 QD PRO 60 QD PRO 60 6.885 2.417 -7.702 632 H GLN 61 HN GLN 61 3.094 -0.976 -7.292 633 HA GLN 61 HA GLN 61 1.359 1.398 -7.598 634 1HB GLN 61 2HB GLN 61 0.536 -1.311 -8.732 635 2HB GLN 61 3HB GLN 61 -0.466 0.130 -8.671 636 1HG GLN 61 2HG GLN 61 1.413 1.293 -10.040 637 2HG GLN 61 3HG GLN 61 2.042 -0.326 -10.329 638 1HE2 GLN 61 2HE2 GLN 61 -1.761 0.170 -11.746 639 2HE2 GLN 61 1HE2 GLN 61 -1.416 0.525 -10.120 640 QB GLN 61 QB GLN 61 0.035 -0.590 -8.701 641 QG GLN 61 QG GLN 61 1.728 0.484 -10.184 642 QE2 GLN 61 QE2 GLN 61 -1.588 0.348 -10.933 643 H ILE 62 HN ILE 62 -0.734 1.067 -6.372 644 HA ILE 62 HA ILE 62 -0.262 -0.844 -4.107 645 HB ILE 62 HB ILE 62 -1.340 1.991 -3.977 646 1HG1 ILE 62 2HG1 ILE 62 0.423 2.036 -2.062 647 2HG1 ILE 62 3HG1 ILE 62 1.043 0.558 -2.787 648 1HG2 ILE 62 2HG2 ILE 62 -1.421 -0.172 -1.841 649 2HG2 ILE 62 3HG2 ILE 62 -1.722 1.531 -1.535 650 3HG2 ILE 62 1HG2 ILE 62 -2.807 0.624 -2.579 651 1HD1 ILE 62 1HD1 ILE 62 0.664 3.168 -4.278 652 2HD1 ILE 62 2HD1 ILE 62 2.198 2.602 -3.634 653 3HD1 ILE 62 3HD1 ILE 62 1.406 1.707 -4.910 654 QG1 ILE 62 QG1 ILE 62 0.733 1.297 -2.424 655 QG2 ILE 62 QG2 ILE 62 -1.983 0.661 -1.985 656 QD1 ILE 62 QD1 ILE 62 1.423 2.493 -4.274 657 H PHE 63 HN PHE 63 -1.932 -1.743 -3.119 658 HA PHE 63 HA PHE 63 -4.632 -1.532 -4.376 659 1HB PHE 63 2HB PHE 63 -2.848 -3.901 -3.961 660 2HB PHE 63 3HB PHE 63 -4.575 -4.132 -3.701 661 HD1 PHE 63 HD1 PHE 63 -6.174 -3.567 -5.502 662 HD2 PHE 63 HD2 PHE 63 -1.977 -3.562 -6.198 663 HE1 PHE 63 HE1 PHE 63 -6.581 -3.549 -7.915 664 HE2 PHE 63 HE2 PHE 63 -2.380 -3.589 -8.616 665 HZ PHE 63 HZ PHE 63 -4.680 -3.614 -9.458 666 QB PHE 63 QB PHE 63 -3.711 -4.016 -3.831 667 QR PHE 63 QR PHE 63 -4.278 -3.566 -7.057 668 H VAL 64 HN VAL 64 -6.178 -1.238 -2.855 669 HA VAL 64 HA VAL 64 -5.509 -2.075 -0.039 670 HB VAL 64 HB VAL 64 -7.206 0.292 -0.949 671 1HG1 VAL 64 3HG1 VAL 64 -8.009 -0.750 1.169 672 2HG1 VAL 64 1HG1 VAL 64 -6.382 -0.615 1.829 673 3HG1 VAL 64 2HG1 VAL 64 -7.302 0.837 1.446 674 1HG2 VAL 64 1HG2 VAL 64 -4.714 0.580 -1.181 675 2HG2 VAL 64 2HG2 VAL 64 -5.414 1.653 0.027 676 3HG2 VAL 64 3HG2 VAL 64 -4.545 0.204 0.526 677 QG1 VAL 64 QG1 VAL 64 -7.231 -0.176 1.482 678 QG2 VAL 64 QG2 VAL 64 -4.891 0.813 -0.209 679 QQG VAL 64 QQG VAL 64 -6.061 0.319 0.636 680 H ASP 65 HN ASP 65 -6.948 -3.482 0.856 681 HA ASP 65 HA ASP 65 -8.686 -5.058 0.871 682 1HB ASP 65 2HB ASP 65 -9.910 -2.428 0.188 683 2HB ASP 65 3HB ASP 65 -10.897 -3.868 0.247 684 QB ASP 65 QB ASP 65 -10.403 -3.148 0.218 685 H GLN 66 HN GLN 66 -7.298 -4.608 -1.558 686 HA GLN 66 HA GLN 66 -7.035 -5.808 -3.547 687 1HB GLN 66 2HB GLN 66 -9.559 -6.933 -2.534 688 2HB GLN 66 3HB GLN 66 -9.411 -6.968 -4.285 689 1HG GLN 66 2HG GLN 66 -7.042 -7.775 -2.607 690 2HG GLN 66 3HG GLN 66 -8.368 -8.905 -2.810 691 1HE2 GLN 66 2HE2 GLN 66 -7.252 -9.840 -5.992 692 2HE2 GLN 66 1HE2 GLN 66 -8.075 -10.243 -4.566 693 QB GLN 66 QB GLN 66 -9.485 -6.950 -3.409 694 QG GLN 66 QG GLN 66 -7.705 -8.340 -2.708 695 QE2 GLN 66 QE2 GLN 66 -7.663 -10.041 -5.279 696 H GLN 67 HN GLN 67 -9.110 -3.220 -3.140 697 HA GLN 67 HA GLN 67 -9.943 -3.105 -5.955 698 1HB GLN 67 2HB GLN 67 -11.196 -1.223 -5.288 699 2HB GLN 67 3HB GLN 67 -11.215 -2.196 -3.845 700 1HG GLN 67 2HG GLN 67 -9.141 -0.821 -3.119 701 2HG GLN 67 3HG GLN 67 -9.585 0.292 -4.404 702 1HE2 GLN 67 2HE2 GLN 67 -11.552 0.443 -0.921 703 2HE2 GLN 67 1HE2 GLN 67 -10.116 -0.441 -1.152 704 QB GLN 67 QB GLN 67 -11.205 -1.709 -4.566 705 QG GLN 67 QG GLN 67 -9.363 -0.264 -3.761 706 QE2 GLN 67 QE2 GLN 67 -10.834 0.001 -1.036 707 H HIS 68 HN HIS 68 -9.062 -1.351 -7.378 708 HA HIS 68 HA HIS 68 -6.181 -1.066 -6.833 709 1HB HIS 68 2HB HIS 68 -7.078 -1.578 -9.120 710 2HB HIS 68 3HB HIS 68 -7.787 0.014 -9.157 711 HD1 HIS 68 HD1 HIS 68 -6.256 0.607 -11.133 712 HD2 HIS 68 HD2 HIS 68 -4.088 -0.308 -7.752 713 HE1 HIS 68 HE1 HIS 68 -3.984 1.677 -11.410 714 QB HIS 68 QB HIS 68 -7.432 -0.782 -9.138 715 H ILE 69 HN ILE 69 -5.103 0.859 -6.558 716 HA ILE 69 HA ILE 69 -6.819 3.182 -5.813 717 HB ILE 69 HB ILE 69 -4.046 2.578 -4.740 718 1HG1 ILE 69 2HG1 ILE 69 -5.496 0.624 -4.228 719 2HG1 ILE 69 3HG1 ILE 69 -5.113 1.540 -2.787 720 1HG2 ILE 69 3HG2 ILE 69 -6.386 4.218 -3.715 721 2HG2 ILE 69 1HG2 ILE 69 -4.875 3.970 -2.850 722 3HG2 ILE 69 2HG2 ILE 69 -4.882 4.845 -4.377 723 1HD1 ILE 69 3HD1 ILE 69 -7.705 1.834 -4.339 724 2HD1 ILE 69 1HD1 ILE 69 -7.519 0.890 -2.872 725 3HD1 ILE 69 2HD1 ILE 69 -7.304 2.632 -2.822 726 QG1 ILE 69 QG1 ILE 69 -5.304 1.082 -3.507 727 QG2 ILE 69 QG2 ILE 69 -5.381 4.345 -3.647 728 QD1 ILE 69 QD1 ILE 69 -7.509 1.786 -3.344 729 H GLY 70 HN GLY 70 -3.839 2.115 -7.359 730 1HA GLY 70 1HA GLY 70 -3.633 3.564 -9.572 731 2HA GLY 70 2HA GLY 70 -3.378 4.856 -8.403 732 QA GLY 70 QA GLY 70 -3.505 4.210 -8.987 733 H GLY 71 HN GLY 71 -1.265 5.315 -8.688 734 1HA GLY 71 1HA GLY 71 0.706 3.079 -8.767 735 2HA GLY 71 2HA GLY 71 1.028 4.728 -9.271 736 QA GLY 71 QA GLY 71 0.867 3.904 -9.019 737 OH TYR 72 OH TYR 72 4.482 7.996 -0.232 738 H TYR 72 HN TYR 72 0.613 6.367 -7.305 739 HA TYR 72 HA TYR 72 1.270 5.214 -4.714 740 1HB TYR 72 2HB TYR 72 3.528 5.077 -5.589 741 2HB TYR 72 3HB TYR 72 3.462 6.743 -6.166 742 HD1 TYR 72 HD2 TYR 72 3.087 4.732 -3.017 743 HD2 TYR 72 HD1 TYR 72 4.190 8.472 -4.721 744 HE1 TYR 72 HE2 TYR 72 3.634 5.594 -0.789 745 HE2 TYR 72 HE1 TYR 72 4.744 9.320 -2.496 746 HH TYR 72 HH TYR 72 3.979 8.812 -0.116 747 QB TYR 72 QB TYR 72 3.495 5.910 -5.877 748 QR TYR 72 QR TYR 72 3.914 7.030 -2.756 749 H THR 73 HN THR 73 1.599 8.229 -6.544 750 HA THR 73 HA THR 73 1.198 10.098 -4.482 751 HB THR 73 HB THR 73 0.024 11.437 -6.439 752 HG1 THR 73 1HG THR 73 -0.736 9.963 -7.803 753 1HG2 THR 73 2HG2 THR 73 2.585 11.403 -6.144 754 2HG2 THR 73 3HG2 THR 73 2.615 9.990 -7.197 755 3HG2 THR 73 1HG2 THR 73 2.067 11.542 -7.822 756 QG2 THR 73 QG2 THR 73 2.423 10.979 -7.054 757 H ASP 74 HN ASP 74 -1.111 8.374 -6.428 758 HA ASP 74 HA ASP 74 -3.542 9.220 -5.293 759 1HB ASP 74 2HB ASP 74 -4.253 6.761 -5.896 760 2HB ASP 74 3HB ASP 74 -3.726 7.825 -7.198 761 QB ASP 74 QB ASP 74 -3.989 7.293 -6.547 762 H PHE 75 HN PHE 75 -1.745 6.243 -4.384 763 HA PHE 75 HA PHE 75 -3.292 5.606 -2.125 764 1HB PHE 75 2HB PHE 75 -1.453 4.157 -3.047 765 2HB PHE 75 3HB PHE 75 -0.275 5.246 -2.333 766 HD1 PHE 75 HD2 PHE 75 -3.452 3.571 -1.179 767 HD2 PHE 75 HD1 PHE 75 0.630 4.431 -0.318 768 HE1 PHE 75 HE2 PHE 75 -3.634 2.345 0.945 769 HE2 PHE 75 HE1 PHE 75 0.433 3.235 1.817 770 HZ PHE 75 HZ PHE 75 -1.695 2.169 2.440 771 QB PHE 75 QB PHE 75 -0.864 4.702 -2.690 772 QR PHE 75 QR PHE 75 -1.505 3.396 0.316 773 H ALA 76 HN ALA 76 -0.427 7.700 -2.275 774 HA ALA 76 HA ALA 76 -0.291 8.420 0.445 775 1HB ALA 76 2HB ALA 76 1.363 9.136 -1.267 776 2HB ALA 76 3HB ALA 76 0.166 10.205 -1.983 777 3HB ALA 76 1HB ALA 76 0.776 10.529 -0.364 778 QB ALA 76 QB ALA 76 0.769 9.957 -1.204 779 H ALA 77 HN ALA 77 -1.992 10.210 -2.092 780 HA ALA 77 HA ALA 77 -3.368 11.981 -0.310 781 1HB ALA 77 3HB ALA 77 -4.187 11.030 -3.087 782 2HB ALA 77 1HB ALA 77 -4.900 12.399 -2.236 783 3HB ALA 77 2HB ALA 77 -3.210 12.448 -2.726 784 QB ALA 77 QB ALA 77 -4.099 11.959 -2.683 785 CH2 TRP 78 CH2 TRP 78 -7.830 3.367 1.533 786 H TRP 78 HN TRP 78 -4.705 9.258 -2.122 787 HA TRP 78 HA TRP 78 -7.210 9.004 -1.007 788 1HB TRP 78 2HB TRP 78 -6.333 7.499 -2.757 789 2HB TRP 78 3HB TRP 78 -5.276 6.751 -1.600 790 HD1 TRP 78 HD1 TRP 78 -8.971 6.771 -2.685 791 HE1 TRP 78 HE1 TRP 78 -10.245 5.021 -1.423 792 HE3 TRP 78 HE3 TRP 78 -5.338 5.366 0.387 793 HZ2 TRP 78 HZ2 TRP 78 -9.793 3.223 0.708 794 HZ3 TRP 78 HZ3 TRP 78 -5.803 3.676 2.133 795 HH2 TRP 78 HH2 TRP 78 -8.022 2.632 2.302 796 QB TRP 78 QB TRP 78 -5.804 7.125 -2.178 797 H VAL 79 HN VAL 79 -4.199 7.670 0.354 798 HA VAL 79 HA VAL 79 -5.413 6.528 2.686 799 HB VAL 79 HB VAL 79 -2.613 7.516 2.060 800 1HG1 VAL 79 2HG1 VAL 79 -3.576 6.353 4.700 801 2HG1 VAL 79 3HG1 VAL 79 -1.889 6.610 4.265 802 3HG1 VAL 79 1HG1 VAL 79 -2.965 7.985 4.467 803 1HG2 VAL 79 2HG2 VAL 79 -3.803 4.800 2.707 804 2HG2 VAL 79 3HG2 VAL 79 -3.331 5.360 1.113 805 3HG2 VAL 79 1HG2 VAL 79 -2.109 5.097 2.348 806 QG1 VAL 79 QG1 VAL 79 -2.810 6.983 4.478 807 QG2 VAL 79 QG2 VAL 79 -3.081 5.086 2.056 808 QQG VAL 79 QQG VAL 79 -2.945 6.035 3.267 809 H LYS 80 HN LYS 80 -3.605 9.536 2.278 810 HA LYS 80 HA LYS 80 -3.954 10.699 4.756 811 1HB LYS 80 2HB LYS 80 -2.955 11.627 2.461 812 2HB LYS 80 3HB LYS 80 -4.523 12.410 2.342 813 1HG LYS 80 2HG LYS 80 -2.854 12.597 4.864 814 2HG LYS 80 3HG LYS 80 -2.586 13.696 3.523 815 1HD LYS 80 2HD LYS 80 -4.444 14.918 3.996 816 2HD LYS 80 3HD LYS 80 -5.437 13.495 4.238 817 1HE LYS 80 2HE LYS 80 -3.366 14.157 6.322 818 2HE LYS 80 3HE LYS 80 -4.842 15.112 6.266 819 1HZ LYS 80 3HZ LYS 80 -5.794 12.609 6.072 820 2HZ LYS 80 1HZ LYS 80 -4.500 12.400 7.158 821 3HZ LYS 80 2HZ LYS 80 -5.734 13.522 7.481 822 QB LYS 80 QB LYS 80 -3.739 12.019 2.402 823 QG LYS 80 QG LYS 80 -2.720 13.147 4.194 824 QD LYS 80 QD LYS 80 -4.940 14.207 4.117 825 QE LYS 80 QE LYS 80 -4.104 14.635 6.294 826 QZ LYS 80 QZ LYS 80 -5.342 12.844 6.904 827 H GLU 81 HN GLU 81 -6.245 10.808 2.095 828 HA GLU 81 HA GLU 81 -8.247 12.249 3.543 829 1HB GLU 81 2HB GLU 81 -8.609 10.461 1.104 830 2HB GLU 81 3HB GLU 81 -9.692 11.742 1.610 831 1HG GLU 81 2HG GLU 81 -8.066 13.443 1.065 832 2HG GLU 81 3HG GLU 81 -6.810 12.236 0.806 833 QB GLU 81 QB GLU 81 -9.150 11.102 1.357 834 QG GLU 81 QG GLU 81 -7.438 12.840 0.936 835 H ASN 82 HN ASN 82 -8.273 8.817 2.585 836 HA ASN 82 HA ASN 82 -10.784 8.480 4.072 837 1HB ASN 82 2HB ASN 82 -9.070 6.428 2.627 838 2HB ASN 82 3HB ASN 82 -10.688 6.151 3.257 839 1HD2 ASN 82 2HD2 ASN 82 -10.235 8.481 -0.085 840 2HD2 ASN 82 1HD2 ASN 82 -8.908 8.208 0.938 841 QB ASN 82 QB ASN 82 -9.879 6.290 2.942 842 QD2 ASN 82 QD2 ASN 82 -9.571 8.345 0.427 843 H LEU 83 HN LEU 83 -7.423 7.973 4.790 844 HA LEU 83 HA LEU 83 -8.299 6.271 7.089 845 1HB LEU 83 2HB LEU 83 -5.526 6.583 5.909 846 2HB LEU 83 3HB LEU 83 -5.966 5.511 7.228 847 HG LEU 83 HG LEU 83 -6.981 5.365 4.362 848 1HD1 LEU 83 1HD1 LEU 83 -5.261 3.500 6.028 849 2HD1 LEU 83 2HD1 LEU 83 -5.805 3.189 4.384 850 3HD1 LEU 83 3HD1 LEU 83 -4.695 4.514 4.708 851 1HD2 LEU 83 2HD2 LEU 83 -7.673 3.632 6.771 852 2HD2 LEU 83 3HD2 LEU 83 -8.781 4.703 5.914 853 3HD2 LEU 83 1HD2 LEU 83 -8.133 3.284 5.109 854 QB LEU 83 QB LEU 83 -5.746 6.047 6.569 855 QD1 LEU 83 QD1 LEU 83 -5.253 3.735 5.040 856 QD2 LEU 83 QD2 LEU 83 -8.195 3.873 5.932 857 QQD LEU 83 QQD LEU 83 -6.724 3.804 5.486 858 H ASP 84 HN ASP 84 -6.417 9.202 6.336 859 HA ASP 84 HA ASP 84 -6.245 9.570 9.321 860 1HB ASP 84 2HB ASP 84 -4.269 10.336 7.163 861 2HB ASP 84 3HB ASP 84 -4.161 10.932 8.816 862 QB ASP 84 QB ASP 84 -4.215 10.634 7.990 863 H ALA 85 HN ALA 85 -8.189 10.552 7.155 864 HA ALA 85 HA ALA 85 -9.392 12.494 6.659 865 1HB ALA 85 1HB ALA 85 -9.886 12.317 9.071 866 2HB ALA 85 2HB ALA 85 -8.424 13.227 9.447 867 3HB ALA 85 3HB ALA 85 -9.752 14.008 8.600 868 QB ALA 85 QB ALA 85 -9.354 13.184 9.040 Start of MODEL 2 Raw file had 868 H/Q atoms Start of MODEL 2 1 H MET 1 HN MET 1 -8.069 -2.695 7.962 2 HA MET 1 HA MET 1 -9.522 -3.396 5.698 3 1HB MET 1 2HB MET 1 -8.167 -0.673 5.430 4 2HB MET 1 3HB MET 1 -8.783 -1.625 4.081 5 1HG MET 1 2HG MET 1 -11.018 -1.392 4.781 6 2HG MET 1 3HG MET 1 -10.575 -0.899 6.396 7 1HE MET 1 2HE MET 1 -9.013 1.289 6.687 8 2HE MET 1 3HE MET 1 -9.964 2.732 6.344 9 3HE MET 1 1HE MET 1 -10.695 1.394 7.235 10 QB MET 1 QB MET 1 -8.475 -1.149 4.755 11 QG MET 1 QG MET 1 -10.796 -1.145 5.589 12 QE MET 1 QE MET 1 -9.891 1.805 6.755 13 H GLN 2 HN GLN 2 -7.873 -3.836 3.847 14 HA GLN 2 HA GLN 2 -5.175 -4.298 5.073 15 1HB GLN 2 2HB GLN 2 -7.116 -6.199 3.922 16 2HB GLN 2 3HB GLN 2 -5.500 -6.357 3.253 17 1HG GLN 2 2HG GLN 2 -5.880 -6.111 6.236 18 2HG GLN 2 3HG GLN 2 -6.061 -7.673 5.446 19 1HE2 GLN 2 2HE2 GLN 2 -2.547 -7.974 5.884 20 2HE2 GLN 2 1HE2 GLN 2 -4.077 -8.517 6.392 21 QB GLN 2 QB GLN 2 -6.308 -6.278 3.588 22 QG GLN 2 QG GLN 2 -5.971 -6.892 5.841 23 QE2 GLN 2 QE2 GLN 2 -3.312 -8.245 6.138 24 H THR 3 HN THR 3 -3.410 -3.996 3.722 25 HA THR 3 HA THR 3 -4.094 -2.921 0.992 26 HB THR 3 HB THR 3 -1.954 -1.880 2.903 27 HG1 THR 3 1HG THR 3 -3.948 -1.368 3.656 28 1HG2 THR 3 2HG2 THR 3 -3.130 -0.749 0.327 29 2HG2 THR 3 3HG2 THR 3 -1.927 0.043 1.341 30 3HG2 THR 3 1HG2 THR 3 -1.511 -1.428 0.463 31 QG2 THR 3 QG2 THR 3 -2.189 -0.711 0.711 32 H VAL 4 HN VAL 4 -2.743 -3.365 -0.703 33 HA VAL 4 HA VAL 4 -0.415 -5.225 -0.192 34 HB VAL 4 HB VAL 4 -2.211 -5.134 -2.652 35 1HG1 VAL 4 3HG1 VAL 4 -0.041 -7.070 -1.753 36 2HG1 VAL 4 1HG1 VAL 4 -1.037 -7.267 -3.192 37 3HG1 VAL 4 2HG1 VAL 4 0.088 -5.920 -3.079 38 1HG2 VAL 4 1HG2 VAL 4 -2.192 -7.125 -0.356 39 2HG2 VAL 4 2HG2 VAL 4 -3.472 -5.963 -0.690 40 3HG2 VAL 4 3HG2 VAL 4 -3.151 -7.271 -1.829 41 QG1 VAL 4 QG1 VAL 4 -0.330 -6.752 -2.675 42 QG2 VAL 4 QG2 VAL 4 -2.938 -6.786 -0.958 43 QQG VAL 4 QQG VAL 4 -1.634 -6.769 -1.817 44 H ILE 5 HN ILE 5 1.488 -4.594 -1.074 45 HA ILE 5 HA ILE 5 1.441 -2.186 -2.866 46 HB ILE 5 HB ILE 5 3.683 -3.078 -1.003 47 1HG1 ILE 5 2HG1 ILE 5 1.760 -0.744 -0.629 48 2HG1 ILE 5 3HG1 ILE 5 1.591 -2.290 0.202 49 1HG2 ILE 5 1HG2 ILE 5 4.403 -1.742 -2.974 50 2HG2 ILE 5 2HG2 ILE 5 3.246 -0.483 -2.546 51 3HG2 ILE 5 3HG2 ILE 5 4.609 -0.837 -1.485 52 1HD1 ILE 5 1HD1 ILE 5 4.011 -0.463 0.385 53 2HD1 ILE 5 2HD1 ILE 5 2.772 -0.661 1.623 54 3HD1 ILE 5 3HD1 ILE 5 3.822 -2.014 1.203 55 QG1 ILE 5 QG1 ILE 5 1.675 -1.517 -0.213 56 QG2 ILE 5 QG2 ILE 5 4.086 -1.021 -2.335 57 QD1 ILE 5 QD1 ILE 5 3.535 -1.046 1.070 58 H PHE 6 HN PHE 6 2.097 -2.621 -4.935 59 HA PHE 6 HA PHE 6 3.672 -5.096 -5.430 60 1HB PHE 6 2HB PHE 6 2.295 -3.127 -7.287 61 2HB PHE 6 3HB PHE 6 3.299 -4.444 -7.871 62 HD1 PHE 6 2HD PHE 6 0.227 -3.666 -5.932 63 HD2 PHE 6 1HD PHE 6 2.457 -6.706 -7.904 64 HE1 PHE 6 2HE PHE 6 -1.724 -5.163 -5.852 65 HE2 PHE 6 1HE PHE 6 0.517 -8.204 -7.806 66 HZ PHE 6 HZ PHE 6 -1.581 -7.427 -6.783 67 QB PHE 6 QB PHE 6 2.797 -3.785 -7.579 68 QR PHE 6 QR PHE 6 0.369 -5.935 -6.874 69 H GLY 7 HN GLY 7 5.652 -4.436 -4.554 70 1HA GLY 7 1HA GLY 7 7.028 -2.187 -6.003 71 2HA GLY 7 2HA GLY 7 7.372 -2.606 -4.324 72 QA GLY 7 QA GLY 7 7.200 -2.396 -5.163 73 NH1 ARG 8 NH2 ARG 8 15.578 -5.818 -7.003 74 NH2 ARG 8 NH1 ARG 8 16.233 -3.655 -7.369 75 H ARG 8 HN ARG 8 9.660 -2.814 -5.208 76 HA ARG 8 HA ARG 8 10.019 -5.590 -6.314 77 1HB ARG 8 2HB ARG 8 10.453 -3.566 -7.917 78 2HB ARG 8 3HB ARG 8 11.897 -3.308 -6.963 79 1HG ARG 8 2HG ARG 8 12.021 -6.041 -7.486 80 2HG ARG 8 3HG ARG 8 11.299 -5.395 -8.944 81 1HD ARG 8 2HD ARG 8 13.794 -5.401 -9.100 82 2HD ARG 8 3HD ARG 8 13.123 -3.771 -9.210 83 HE ARG 8 HE ARG 8 13.688 -3.614 -6.680 84 1HH1 ARG 8 2HH2 ARG 8 14.823 -6.468 -6.827 85 2HH1 ARG 8 1HH2 ARG 8 16.523 -6.129 -6.944 86 1HH2 ARG 8 1HH1 ARG 8 15.958 -2.687 -7.454 87 2HH2 ARG 8 2HH1 ARG 8 17.201 -3.895 -7.347 88 QB ARG 8 QB ARG 8 11.175 -3.437 -7.440 89 QG ARG 8 QG ARG 8 11.660 -5.718 -8.215 90 QD ARG 8 QD ARG 8 13.458 -4.586 -9.155 91 QH1 ARG 8 QH2 ARG 8 15.673 -6.298 -6.886 92 QH2 ARG 8 QH1 ARG 8 16.579 -3.291 -7.400 93 H SER 9 HN SER 9 12.877 -5.480 -6.165 94 HA SER 9 HA SER 9 13.198 -5.643 -3.208 95 1HB SER 9 2HB SER 9 15.463 -6.771 -4.630 96 2HB SER 9 3HB SER 9 14.243 -7.619 -3.665 97 HG SER 9 HG SER 9 12.837 -7.566 -5.491 98 QB SER 9 QB SER 9 14.853 -7.195 -4.148 99 H GLY 10 HN GLY 10 13.222 -3.167 -3.688 100 1HA GLY 10 1HA GLY 10 14.857 -1.453 -2.973 101 2HA GLY 10 2HA GLY 10 16.099 -2.332 -3.867 102 QA GLY 10 QA GLY 10 15.478 -1.892 -3.420 103 H CYS 11 HN CYS 11 13.421 -0.139 -4.095 104 HA CYS 11 HA CYS 11 14.331 0.757 -6.740 105 1HB CYS 11 2HB CYS 11 11.748 0.514 -7.396 106 2HB CYS 11 3HB CYS 11 12.904 -0.762 -7.682 107 QB CYS 11 QB CYS 11 12.326 -0.124 -7.539 108 HA PRO 12 HA PRO 12 13.607 3.099 -2.895 109 1HB PRO 12 2HB PRO 12 13.643 5.630 -4.454 110 2HB PRO 12 3HB PRO 12 14.625 5.148 -3.066 111 1HG PRO 12 2HG PRO 12 15.376 5.045 -5.854 112 2HG PRO 12 3HG PRO 12 16.328 4.500 -4.473 113 1HD PRO 12 2HD PRO 12 15.224 2.825 -6.455 114 2HD PRO 12 3HD PRO 12 15.812 2.281 -4.865 115 QB PRO 12 QB PRO 12 14.134 5.389 -3.760 116 QG PRO 12 QG PRO 12 15.852 4.773 -5.164 117 QD PRO 12 QD PRO 12 15.518 2.553 -5.660 118 OH TYR 13 OH TYR 13 9.854 10.607 -7.393 119 H TYR 13 HN TYR 13 11.933 4.556 -5.675 120 HA TYR 13 HA TYR 13 9.740 5.720 -4.417 121 1HB TYR 13 2HB TYR 13 10.154 4.458 -7.094 122 2HB TYR 13 3HB TYR 13 8.480 4.697 -6.595 123 HD1 TYR 13 HD2 TYR 13 11.717 6.613 -6.423 124 HD2 TYR 13 HD1 TYR 13 7.534 6.736 -7.196 125 HE1 TYR 13 HE2 TYR 13 11.855 9.021 -6.819 126 HE2 TYR 13 HE1 TYR 13 7.666 9.159 -7.511 127 HH TYR 13 HH TYR 13 9.999 10.762 -8.332 128 QB TYR 13 QB TYR 13 9.317 4.578 -6.845 129 QR TYR 13 QR TYR 13 9.693 7.882 -6.987 130 H CYS 14 HN CYS 14 10.071 2.302 -5.275 131 HA CYS 14 HA CYS 14 7.469 1.468 -4.481 132 1HB CYS 14 2HB CYS 14 8.512 -0.760 -4.118 133 2HB CYS 14 3HB CYS 14 8.874 -0.064 -5.674 134 QB CYS 14 QB CYS 14 8.693 -0.412 -4.896 135 H VAL 15 HN VAL 15 10.449 1.719 -2.602 136 HA VAL 15 HA VAL 15 9.518 0.600 -0.173 137 HB VAL 15 HB VAL 15 11.551 2.808 -0.601 138 1HG1 VAL 15 3HG1 VAL 15 11.122 0.945 1.779 139 2HG1 VAL 15 1HG1 VAL 15 12.449 2.092 1.602 140 3HG1 VAL 15 2HG1 VAL 15 10.796 2.676 1.775 141 1HG2 VAL 15 3HG2 VAL 15 11.805 -0.220 -0.369 142 2HG2 VAL 15 1HG2 VAL 15 12.016 0.713 -1.843 143 3HG2 VAL 15 2HG2 VAL 15 13.157 0.898 -0.518 144 QG1 VAL 15 QG1 VAL 15 11.456 1.904 1.718 145 QG2 VAL 15 QG2 VAL 15 12.326 0.463 -0.910 146 QQG VAL 15 QQG VAL 15 11.891 1.184 0.404 147 NH1 ARG 16 NH1 ARG 16 8.157 8.942 1.017 148 NH2 ARG 16 NH2 ARG 16 6.949 7.175 1.784 149 H ARG 16 HN ARG 16 9.390 3.939 -1.335 150 HA ARG 16 HA ARG 16 8.415 5.181 0.948 151 1HB ARG 16 2HB ARG 16 7.623 5.695 -1.930 152 2HB ARG 16 3HB ARG 16 7.106 6.735 -0.617 153 1HG ARG 16 2HG ARG 16 9.815 6.401 -1.825 154 2HG ARG 16 3HG ARG 16 9.022 7.864 -1.275 155 1HD ARG 16 2HD ARG 16 10.482 5.772 0.385 156 2HD ARG 16 3HD ARG 16 10.824 7.487 0.269 157 HE ARG 16 HE ARG 16 9.404 6.538 2.370 158 1HH1 ARG 16 2HH1 ARG 16 9.045 9.329 0.782 159 2HH1 ARG 16 1HH1 ARG 16 7.315 9.482 0.903 160 1HH2 ARG 16 2HH2 ARG 16 6.909 6.218 2.085 161 2HH2 ARG 16 1HH2 ARG 16 6.106 7.714 1.721 162 QB ARG 16 QB ARG 16 7.364 6.215 -1.273 163 QG ARG 16 QG ARG 16 9.419 7.132 -1.550 164 QD ARG 16 QD ARG 16 10.653 6.630 0.327 165 QH1 ARG 16 QH1 ARG 16 8.180 9.406 0.842 166 QH2 ARG 16 QH2 ARG 16 6.508 6.966 1.903 167 H ALA 17 HN ALA 17 6.402 3.518 -1.413 168 HA ALA 17 HA ALA 17 3.887 4.003 -0.184 169 1HB ALA 17 2HB ALA 17 4.887 1.518 -1.618 170 2HB ALA 17 3HB ALA 17 3.193 1.847 -1.267 171 3HB ALA 17 1HB ALA 17 4.086 2.898 -2.357 172 QB ALA 17 QB ALA 17 4.055 2.088 -1.747 173 H LYS 18 HN LYS 18 6.289 1.451 0.446 174 HA LYS 18 HA LYS 18 4.812 0.108 2.482 175 1HB LYS 18 2HB LYS 18 6.631 -1.147 1.804 176 2HB LYS 18 3HB LYS 18 7.677 0.249 1.642 177 1HG LYS 18 2HG LYS 18 6.881 -0.230 4.450 178 2HG LYS 18 3HG LYS 18 7.717 -1.597 3.728 179 1HD LYS 18 2HD LYS 18 9.608 -0.305 3.141 180 2HD LYS 18 3HD LYS 18 8.769 1.211 3.370 181 1HE LYS 18 2HE LYS 18 9.297 -0.711 5.663 182 2HE LYS 18 3HE LYS 18 10.384 0.612 5.243 183 1HZ LYS 18 3HZ LYS 18 7.677 1.444 5.381 184 2HZ LYS 18 1HZ LYS 18 8.183 0.784 6.868 185 3HZ LYS 18 2HZ LYS 18 9.039 2.097 6.143 186 QB LYS 18 QB LYS 18 7.154 -0.449 1.723 187 QG LYS 18 QG LYS 18 7.299 -0.914 4.089 188 QD LYS 18 QD LYS 18 9.188 0.453 3.255 189 QE LYS 18 QE LYS 18 9.841 -0.050 5.453 190 QZ LYS 18 QZ LYS 18 8.300 1.442 6.131 191 H ASP 19 HN ASP 19 7.282 2.725 2.760 192 HA ASP 19 HA ASP 19 7.144 3.048 5.562 193 1HB ASP 19 2HB ASP 19 7.264 5.296 3.550 194 2HB ASP 19 3HB ASP 19 7.750 5.371 5.228 195 QB ASP 19 QB ASP 19 7.507 5.333 4.389 196 H LEU 20 HN LEU 20 5.037 4.517 3.132 197 HA LEU 20 HA LEU 20 3.387 5.854 5.037 198 1HB LEU 20 2HB LEU 20 3.151 6.444 2.719 199 2HB LEU 20 3HB LEU 20 2.783 4.792 2.257 200 HG LEU 20 HG LEU 20 0.646 4.904 3.505 201 1HD1 LEU 20 2HD1 LEU 20 1.492 7.769 4.094 202 2HD1 LEU 20 3HD1 LEU 20 -0.094 7.086 4.448 203 3HD1 LEU 20 1HD1 LEU 20 1.327 6.479 5.281 204 1HD2 LEU 20 1HD2 LEU 20 0.701 5.646 1.140 205 2HD2 LEU 20 2HD2 LEU 20 -0.493 6.556 2.057 206 3HD2 LEU 20 3HD2 LEU 20 1.059 7.288 1.664 207 QB LEU 20 QB LEU 20 2.967 5.618 2.488 208 QD1 LEU 20 QD1 LEU 20 0.908 7.111 4.607 209 QD2 LEU 20 QD2 LEU 20 0.423 6.496 1.620 210 QQD LEU 20 QQD LEU 20 0.665 6.804 3.114 211 H ALA 21 HN ALA 21 2.579 2.863 3.293 212 HA ALA 21 HA ALA 21 0.300 2.106 4.708 213 1HB ALA 21 1HB ALA 21 2.522 0.296 3.701 214 2HB ALA 21 2HB ALA 21 0.888 -0.231 4.085 215 3HB ALA 21 3HB ALA 21 1.159 0.878 2.745 216 QB ALA 21 QB ALA 21 1.523 0.314 3.510 217 H GLU 22 HN GLU 22 3.619 1.270 5.470 218 HA GLU 22 HA GLU 22 3.110 -0.200 7.848 219 1HB GLU 22 2HB GLU 22 5.247 0.085 6.357 220 2HB GLU 22 3HB GLU 22 5.561 1.511 7.333 221 1HG GLU 22 2HG GLU 22 5.636 0.175 9.357 222 2HG GLU 22 3HG GLU 22 5.145 -1.273 8.477 223 QB GLU 22 QB GLU 22 5.404 0.798 6.845 224 QG GLU 22 QG GLU 22 5.391 -0.549 8.917 225 H LYS 23 HN LYS 23 4.062 3.183 7.315 226 HA LYS 23 HA LYS 23 4.103 4.224 9.874 227 1HB LYS 23 2HB LYS 23 4.554 5.583 7.849 228 2HB LYS 23 3HB LYS 23 2.838 5.585 7.469 229 1HG LYS 23 2HG LYS 23 3.606 6.487 10.212 230 2HG LYS 23 3HG LYS 23 4.018 7.564 8.885 231 1HD LYS 23 2HD LYS 23 1.752 7.840 8.233 232 2HD LYS 23 3HD LYS 23 1.215 6.416 9.100 233 1HE LYS 23 2HE LYS 23 2.324 8.896 10.460 234 2HE LYS 23 3HE LYS 23 0.609 8.602 10.205 235 1HZ LYS 23 2HZ LYS 23 1.641 6.301 11.391 236 2HZ LYS 23 3HZ LYS 23 2.246 7.635 12.265 237 3HZ LYS 23 1HZ LYS 23 0.570 7.454 12.040 238 QB LYS 23 QB LYS 23 3.696 5.584 7.659 239 QG LYS 23 QG LYS 23 3.812 7.025 9.549 240 QD LYS 23 QD LYS 23 1.483 7.128 8.667 241 QE LYS 23 QE LYS 23 1.467 8.749 10.332 242 QZ LYS 23 QZ LYS 23 1.486 7.130 11.899 243 H LEU 24 HN LEU 24 1.290 3.510 7.931 244 HA LEU 24 HA LEU 24 -0.614 4.475 9.909 245 1HB LEU 24 2HB LEU 24 -0.766 2.923 7.341 246 2HB LEU 24 3HB LEU 24 -2.175 2.948 8.397 247 HG LEU 24 HG LEU 24 -0.729 5.503 7.719 248 1HD1 LEU 24 2HD1 LEU 24 -2.858 4.084 6.093 249 2HD1 LEU 24 3HD1 LEU 24 -2.397 5.770 5.876 250 3HD1 LEU 24 1HD1 LEU 24 -1.232 4.488 5.559 251 1HD2 LEU 24 1HD2 LEU 24 -3.606 4.816 8.439 252 2HD2 LEU 24 2HD2 LEU 24 -2.420 5.493 9.550 253 3HD2 LEU 24 3HD2 LEU 24 -2.989 6.439 8.179 254 QB LEU 24 QB LEU 24 -1.470 2.936 7.869 255 QD1 LEU 24 QD1 LEU 24 -2.163 4.780 5.843 256 QD2 LEU 24 QD2 LEU 24 -3.005 5.583 8.723 257 QQD LEU 24 QQD LEU 24 -2.584 5.182 7.283 258 H SER 25 HN SER 25 0.486 1.285 8.899 259 HA SER 25 HA SER 25 -1.051 -0.295 10.623 260 1HB SER 25 2HB SER 25 1.876 -0.628 9.829 261 2HB SER 25 3HB SER 25 0.896 -1.900 10.601 262 HG SER 25 HG SER 25 -0.724 -1.287 8.903 263 QB SER 25 QB SER 25 1.386 -1.264 10.215 264 H ASN 26 HN ASN 26 1.950 1.465 11.396 265 HA ASN 26 HA ASN 26 1.771 0.590 14.197 266 1HB ASN 26 2HB ASN 26 3.661 2.084 14.572 267 2HB ASN 26 3HB ASN 26 3.935 1.119 13.124 268 1HD2 ASN 26 2HD2 ASN 26 3.435 5.130 12.804 269 2HD2 ASN 26 1HD2 ASN 26 3.082 4.357 14.273 270 QB ASN 26 QB ASN 26 3.798 1.601 13.848 271 QD2 ASN 26 QD2 ASN 26 3.258 4.743 13.539 272 H GLU 27 HN GLU 27 -0.434 2.055 13.005 273 HA GLU 27 HA GLU 27 -0.774 4.200 15.044 274 1HB GLU 27 2HB GLU 27 -1.100 4.373 12.148 275 2HB GLU 27 3HB GLU 27 -2.597 4.754 12.962 276 1HG GLU 27 2HG GLU 27 -1.106 6.309 14.448 277 2HG GLU 27 3HG GLU 27 0.060 6.145 13.144 278 QB GLU 27 QB GLU 27 -1.849 4.563 12.555 279 QG GLU 27 QG GLU 27 -0.523 6.227 13.796 280 NH1 ARG 28 NH2 ARG 28 -7.462 7.461 12.916 281 NH2 ARG 28 NH1 ARG 28 -7.376 6.919 10.713 282 H ARG 28 HN ARG 28 -2.750 2.367 12.732 283 HA ARG 28 HA ARG 28 -4.667 1.866 14.985 284 1HB ARG 28 2HB ARG 28 -5.364 2.165 12.040 285 2HB ARG 28 3HB ARG 28 -6.494 2.018 13.378 286 1HG ARG 28 2HG ARG 28 -6.186 4.215 14.080 287 2HG ARG 28 3HG ARG 28 -4.520 4.279 13.533 288 1HD ARG 28 2HD ARG 28 -5.355 4.303 11.158 289 2HD ARG 28 3HD ARG 28 -7.003 4.380 11.774 290 HE ARG 28 HE ARG 28 -4.957 6.531 12.345 291 1HH1 ARG 28 2HH2 ARG 28 -7.077 7.389 13.827 292 2HH1 ARG 28 1HH2 ARG 28 -8.312 7.998 12.768 293 1HH2 ARG 28 2HH1 ARG 28 -6.924 6.437 9.975 294 2HH2 ARG 28 1HH1 ARG 28 -8.227 7.448 10.525 295 QB ARG 28 QB ARG 28 -5.929 2.092 12.709 296 QG ARG 28 QG ARG 28 -5.353 4.247 13.806 297 QD ARG 28 QD ARG 28 -6.179 4.342 11.466 298 QH1 ARG 28 QH2 ARG 28 -7.694 7.694 13.298 299 QH2 ARG 28 QH1 ARG 28 -7.575 6.943 10.250 300 H ASP 29 HN ASP 29 -5.678 -0.149 15.020 301 HA ASP 29 HA ASP 29 -4.030 -2.344 14.055 302 1HB ASP 29 2HB ASP 29 -6.834 -2.851 14.981 303 2HB ASP 29 3HB ASP 29 -5.353 -3.692 15.410 304 QB ASP 29 QB ASP 29 -6.093 -3.271 15.196 305 H ASP 30 HN ASP 30 -6.837 -0.647 12.984 306 HA ASP 30 HA ASP 30 -7.748 -2.720 11.185 307 1HB ASP 30 2HB ASP 30 -9.313 -0.999 12.015 308 2HB ASP 30 3HB ASP 30 -8.409 0.238 11.148 309 QB ASP 30 QB ASP 30 -8.861 -0.380 11.582 310 H PHE 31 HN PHE 31 -5.044 -0.633 10.958 311 HA PHE 31 HA PHE 31 -5.300 -0.805 7.971 312 1HB PHE 31 2HB PHE 31 -4.829 1.507 8.899 313 2HB PHE 31 3HB PHE 31 -3.254 0.901 9.418 314 HD1 PHE 31 2HD PHE 31 -5.470 1.240 6.416 315 HD2 PHE 31 1HD PHE 31 -1.501 0.561 7.823 316 HE1 PHE 31 2HE PHE 31 -4.660 1.101 4.094 317 HE2 PHE 31 1HE PHE 31 -0.717 0.417 5.525 318 HZ PHE 31 HZ PHE 31 -2.279 0.734 3.652 319 QB PHE 31 QB PHE 31 -4.042 1.204 9.159 320 QR PHE 31 QR PHE 31 -3.087 0.830 5.964 321 H GLN 32 HN GLN 32 -4.600 -2.818 7.532 322 HA GLN 32 HA GLN 32 -1.785 -3.447 8.361 323 1HB GLN 32 2HB GLN 32 -3.878 -5.408 7.364 324 2HB GLN 32 3HB GLN 32 -2.321 -5.795 8.072 325 1HG GLN 32 2HG GLN 32 -3.335 -5.909 10.095 326 2HG GLN 32 3HG GLN 32 -3.667 -4.183 9.986 327 1HE2 GLN 32 2HE2 GLN 32 -7.116 -4.908 9.885 328 2HE2 GLN 32 1HE2 GLN 32 -5.863 -4.001 10.582 329 QB GLN 32 QB GLN 32 -3.099 -5.602 7.718 330 QG GLN 32 QG GLN 32 -3.501 -5.046 10.040 331 QE2 GLN 32 QE2 GLN 32 -6.489 -4.454 10.233 332 OH TYR 33 OH TYR 33 5.183 -3.242 6.871 333 H TYR 33 HN TYR 33 -0.526 -4.556 6.696 334 HA TYR 33 HA TYR 33 -1.502 -4.281 3.947 335 1HB TYR 33 2HB TYR 33 0.290 -2.856 3.190 336 2HB TYR 33 3HB TYR 33 -0.417 -2.062 4.589 337 HD1 TYR 33 HD1 TYR 33 0.736 -2.430 6.875 338 HD2 TYR 33 HD2 TYR 33 2.585 -3.423 3.175 339 HE1 TYR 33 HE1 TYR 33 2.914 -2.533 7.990 340 HE2 TYR 33 HE2 TYR 33 4.753 -3.562 4.295 341 HH TYR 33 HH TYR 33 5.751 -2.461 6.729 342 QB TYR 33 QB TYR 33 -0.064 -2.459 3.890 343 QR TYR 33 QR TYR 33 2.747 -2.987 5.584 344 H GLN 34 HN GLN 34 0.056 -5.235 2.429 345 HA GLN 34 HA GLN 34 1.849 -7.270 3.672 346 1HB GLN 34 2HB GLN 34 -0.246 -8.390 2.961 347 2HB GLN 34 3HB GLN 34 -0.096 -7.681 1.357 348 1HG GLN 34 2HG GLN 34 2.094 -8.880 1.075 349 2HG GLN 34 3HG GLN 34 1.854 -9.635 2.648 350 1HE2 GLN 34 2HE2 GLN 34 0.355 -11.518 -0.440 351 2HE2 GLN 34 1HE2 GLN 34 1.692 -10.470 -0.458 352 QB GLN 34 QB GLN 34 -0.171 -8.036 2.159 353 QG GLN 34 QG GLN 34 1.974 -9.257 1.861 354 QE2 GLN 34 QE2 GLN 34 1.023 -10.994 -0.449 355 OH TYR 35 OH TYR 35 8.987 -3.562 -2.541 356 H TYR 35 HN TYR 35 3.825 -7.439 2.619 357 HA TYR 35 HA TYR 35 4.217 -5.420 0.486 358 1HB TYR 35 2HB TYR 35 5.914 -5.679 2.395 359 2HB TYR 35 3HB TYR 35 6.357 -7.227 1.670 360 HD1 TYR 35 HD2 TYR 35 5.815 -3.652 0.691 361 HD2 TYR 35 HD1 TYR 35 8.034 -7.219 -0.035 362 HE1 TYR 35 HE2 TYR 35 7.105 -2.498 -1.047 363 HE2 TYR 35 HE1 TYR 35 9.293 -6.075 -1.791 364 HH TYR 35 HH TYR 35 9.728 -4.123 -2.828 365 QB TYR 35 QB TYR 35 6.135 -6.453 2.033 366 QR TYR 35 QR TYR 35 7.562 -4.861 -0.545 367 H VAL 36 HN VAL 36 4.681 -5.943 -1.579 368 HA VAL 36 HA VAL 36 4.872 -8.833 -2.274 369 HB VAL 36 HB VAL 36 2.850 -6.774 -3.076 370 1HG1 VAL 36 3HG1 VAL 36 3.876 -8.885 -5.020 371 2HG1 VAL 36 1HG1 VAL 36 2.444 -7.886 -5.259 372 3HG1 VAL 36 2HG1 VAL 36 4.036 -7.144 -5.227 373 1HG2 VAL 36 1HG2 VAL 36 2.326 -8.712 -1.640 374 2HG2 VAL 36 2HG2 VAL 36 1.428 -8.778 -3.155 375 3HG2 VAL 36 3HG2 VAL 36 2.842 -9.806 -2.927 376 QG1 VAL 36 QG1 VAL 36 3.452 -7.972 -5.169 377 QG2 VAL 36 QG2 VAL 36 2.199 -9.098 -2.574 378 QQG VAL 36 QQG VAL 36 2.826 -8.535 -3.872 379 H ASP 37 HN ASP 37 6.355 -9.268 -3.849 380 HA ASP 37 HA ASP 37 7.875 -6.936 -4.961 381 1HB ASP 37 2HB ASP 37 9.137 -8.504 -3.400 382 2HB ASP 37 3HB ASP 37 8.876 -9.774 -4.585 383 QB ASP 37 QB ASP 37 9.006 -9.139 -3.993 384 H ILE 38 HN ILE 38 7.533 -6.671 -7.069 385 HA ILE 38 HA ILE 38 5.925 -8.177 -8.692 386 HB ILE 38 HB ILE 38 7.112 -7.162 -10.648 387 1HG1 ILE 38 2HG1 ILE 38 8.867 -5.866 -8.547 388 2HG1 ILE 38 3HG1 ILE 38 9.368 -7.279 -9.462 389 1HG2 ILE 38 3HG2 ILE 38 5.321 -5.964 -9.396 390 2HG2 ILE 38 1HG2 ILE 38 6.527 -5.315 -8.292 391 3HG2 ILE 38 2HG2 ILE 38 6.536 -4.839 -9.984 392 1HD1 ILE 38 3HD1 ILE 38 8.999 -6.021 -11.592 393 2HD1 ILE 38 1HD1 ILE 38 8.509 -4.612 -10.661 394 3HD1 ILE 38 2HD1 ILE 38 10.162 -5.190 -10.568 395 QG1 ILE 38 QG1 ILE 38 9.117 -6.573 -9.004 396 QG2 ILE 38 QG2 ILE 38 6.128 -5.373 -9.224 397 QD1 ILE 38 QD1 ILE 38 9.224 -5.274 -10.940 398 NH1 ARG 39 NH1 ARG 39 11.086 -11.485 -5.040 399 NH2 ARG 39 NH2 ARG 39 12.781 -9.956 -4.931 400 H ARG 39 HN ARG 39 9.306 -9.029 -8.004 401 HA ARG 39 HA ARG 39 9.086 -11.142 -10.114 402 1HB ARG 39 2HB ARG 39 11.466 -11.469 -9.875 403 2HB ARG 39 3HB ARG 39 11.161 -9.742 -9.972 404 1HG ARG 39 2HG ARG 39 12.309 -9.509 -8.039 405 2HG ARG 39 3HG ARG 39 10.973 -10.325 -7.239 406 1HD ARG 39 2HD ARG 39 12.149 -12.540 -8.028 407 2HD ARG 39 3HD ARG 39 13.553 -11.517 -8.271 408 HE ARG 39 HE ARG 39 13.701 -12.292 -5.948 409 1HH1 ARG 39 2HH1 ARG 39 10.740 -12.344 -5.428 410 2HH1 ARG 39 1HH1 ARG 39 10.522 -10.956 -4.399 411 1HH2 ARG 39 2HH2 ARG 39 13.669 -9.640 -5.270 412 2HH2 ARG 39 1HH2 ARG 39 12.282 -9.402 -4.261 413 QB ARG 39 QB ARG 39 11.313 -10.606 -9.924 414 QG ARG 39 QG ARG 39 11.641 -9.917 -7.639 415 QD ARG 39 QD ARG 39 12.851 -12.028 -8.149 416 QH1 ARG 39 QH1 ARG 39 10.631 -11.650 -4.914 417 QH2 ARG 39 QH2 ARG 39 12.976 -9.521 -4.765 418 H ALA 40 HN ALA 40 7.848 -11.070 -7.293 419 HA ALA 40 HA ALA 40 8.777 -13.740 -6.319 420 1HB ALA 40 3HB ALA 40 8.615 -11.880 -4.635 421 2HB ALA 40 1HB ALA 40 6.912 -11.695 -5.037 422 3HB ALA 40 2HB ALA 40 7.481 -13.178 -4.280 423 QB ALA 40 QB ALA 40 7.669 -12.251 -4.651 424 H GLU 41 HN GLU 41 6.022 -11.821 -7.263 425 HA GLU 41 HA GLU 41 4.168 -14.106 -7.341 426 1HB GLU 41 2HB GLU 41 3.970 -11.151 -7.957 427 2HB GLU 41 3HB GLU 41 2.730 -12.238 -8.557 428 1HG GLU 41 2HG GLU 41 2.209 -12.996 -6.304 429 2HG GLU 41 3HG GLU 41 3.554 -12.083 -5.637 430 QB GLU 41 QB GLU 41 3.350 -11.694 -8.257 431 QG GLU 41 QG GLU 41 2.882 -12.539 -5.971 432 H GLY 42 HN GLY 42 5.949 -12.081 -9.621 433 1HA GLY 42 1HA GLY 42 6.860 -13.134 -11.677 434 2HA GLY 42 2HA GLY 42 5.388 -14.103 -11.765 435 QA GLY 42 QA GLY 42 6.124 -13.619 -11.721 436 H ILE 43 HN ILE 43 6.017 -10.670 -11.247 437 HA ILE 43 HA ILE 43 3.984 -10.047 -13.324 438 HB ILE 43 HB ILE 43 5.120 -8.387 -11.039 439 1HG1 ILE 43 2HG1 ILE 43 2.367 -9.625 -11.419 440 2HG1 ILE 43 3HG1 ILE 43 3.652 -10.411 -10.516 441 1HG2 ILE 43 3HG2 ILE 43 2.824 -7.800 -12.959 442 2HG2 ILE 43 1HG2 ILE 43 3.271 -6.818 -11.574 443 3HG2 ILE 43 2HG2 ILE 43 4.371 -6.952 -12.936 444 1HD1 ILE 43 2HD1 ILE 43 2.466 -7.692 -9.869 445 2HD1 ILE 43 3HD1 ILE 43 2.143 -9.193 -9.008 446 3HD1 ILE 43 1HD1 ILE 43 3.756 -8.489 -8.969 447 QG1 ILE 43 QG1 ILE 43 3.010 -10.018 -10.967 448 QG2 ILE 43 QG2 ILE 43 3.489 -7.190 -12.490 449 QD1 ILE 43 QD1 ILE 43 2.788 -8.458 -9.282 450 H THR 44 HN THR 44 4.361 -8.227 -14.687 451 HA THR 44 HA THR 44 7.210 -7.973 -15.535 452 HB THR 44 HB THR 44 6.176 -7.568 -17.814 453 HG1 THR 44 1HG THR 44 3.728 -8.445 -17.164 454 1HG2 THR 44 3HG2 THR 44 6.664 -9.938 -17.032 455 2HG2 THR 44 1HG2 THR 44 5.032 -10.018 -16.386 456 3HG2 THR 44 2HG2 THR 44 5.287 -9.852 -18.121 457 QG2 THR 44 QG2 THR 44 5.661 -9.936 -17.180 458 H LYS 45 HN LYS 45 6.757 -5.869 -17.347 459 HA LYS 45 HA LYS 45 6.113 -3.545 -15.550 460 1HB LYS 45 2HB LYS 45 8.515 -3.830 -16.454 461 2HB LYS 45 3HB LYS 45 7.849 -3.631 -18.066 462 1HG LYS 45 2HG LYS 45 6.817 -1.404 -16.984 463 2HG LYS 45 3HG LYS 45 8.109 -1.631 -15.831 464 1HD LYS 45 2HD LYS 45 8.799 -0.147 -17.700 465 2HD LYS 45 3HD LYS 45 9.791 -1.587 -17.592 466 1HE LYS 45 2HE LYS 45 8.953 -0.822 -19.941 467 2HE LYS 45 3HE LYS 45 8.888 -2.527 -19.537 468 1HZ LYS 45 3HZ LYS 45 6.459 -1.487 -18.707 469 2HZ LYS 45 1HZ LYS 45 6.759 -0.784 -20.228 470 3HZ LYS 45 2HZ LYS 45 6.756 -2.475 -20.042 471 QB LYS 45 QB LYS 45 8.182 -3.730 -17.260 472 QG LYS 45 QG LYS 45 7.463 -1.517 -16.408 473 QD LYS 45 QD LYS 45 9.295 -0.867 -17.646 474 QE LYS 45 QE LYS 45 8.920 -1.675 -19.739 475 QZ LYS 45 QZ LYS 45 6.658 -1.582 -19.659 476 H GLU 46 HN GLU 46 4.641 -5.426 -17.556 477 HA GLU 46 HA GLU 46 3.391 -3.291 -19.222 478 1HB GLU 46 2HB GLU 46 2.798 -5.838 -20.343 479 2HB GLU 46 3HB GLU 46 3.810 -4.578 -21.028 480 1HG GLU 46 2HG GLU 46 4.781 -6.701 -19.084 481 2HG GLU 46 3HG GLU 46 5.002 -6.764 -20.823 482 QB GLU 46 QB GLU 46 3.304 -5.208 -20.685 483 QG GLU 46 QG GLU 46 4.891 -6.732 -19.953 484 H ASP 47 HN ASP 47 2.780 -6.437 -17.615 485 HA ASP 47 HA ASP 47 -0.075 -6.336 -17.762 486 1HB ASP 47 2HB ASP 47 1.398 -8.309 -17.060 487 2HB ASP 47 3HB ASP 47 1.587 -7.529 -15.504 488 QB ASP 47 QB ASP 47 1.493 -7.919 -16.282 489 H LEU 48 HN LEU 48 2.219 -5.207 -15.336 490 HA LEU 48 HA LEU 48 0.612 -4.185 -13.339 491 1HB LEU 48 2HB LEU 48 3.143 -3.153 -14.572 492 2HB LEU 48 3HB LEU 48 2.375 -2.224 -13.297 493 HG LEU 48 HG LEU 48 3.149 -5.163 -13.081 494 1HD1 LEU 48 2HD1 LEU 48 5.105 -3.645 -13.236 495 2HD1 LEU 48 3HD1 LEU 48 4.442 -2.678 -11.915 496 3HD1 LEU 48 1HD1 LEU 48 4.954 -4.335 -11.621 497 1HD2 LEU 48 3HD2 LEU 48 1.237 -4.486 -11.571 498 2HD2 LEU 48 1HD2 LEU 48 2.692 -4.858 -10.665 499 3HD2 LEU 48 2HD2 LEU 48 2.234 -3.188 -10.935 500 QB LEU 48 QB LEU 48 2.759 -2.688 -13.934 501 QD1 LEU 48 QD1 LEU 48 4.834 -3.553 -12.258 502 QD2 LEU 48 QD2 LEU 48 2.054 -4.177 -11.057 503 QQD LEU 48 QQD LEU 48 3.444 -3.865 -11.657 504 H GLN 49 HN GLN 49 1.365 -2.557 -16.359 505 HA GLN 49 HA GLN 49 -0.028 -0.150 -16.008 506 1HB GLN 49 2HB GLN 49 1.290 -1.033 -18.076 507 2HB GLN 49 3HB GLN 49 -0.226 -1.757 -18.582 508 1HG GLN 49 2HG GLN 49 -0.502 1.060 -17.767 509 2HG GLN 49 3HG GLN 49 0.586 0.838 -19.122 510 1HE2 GLN 49 2HE2 GLN 49 -2.190 0.776 -21.264 511 2HE2 GLN 49 1HE2 GLN 49 -0.720 1.525 -20.840 512 QB GLN 49 QB GLN 49 0.532 -1.395 -18.329 513 QG GLN 49 QG GLN 49 0.042 0.949 -18.445 514 QE2 GLN 49 QE2 GLN 49 -1.455 1.151 -21.052 515 H GLN 50 HN GLN 50 -1.291 -3.247 -17.125 516 HA GLN 50 HA GLN 50 -4.076 -2.411 -17.157 517 1HB GLN 50 2HB GLN 50 -2.635 -5.070 -17.376 518 2HB GLN 50 3HB GLN 50 -4.387 -5.019 -17.260 519 1HG GLN 50 2HG GLN 50 -2.926 -3.345 -19.317 520 2HG GLN 50 3HG GLN 50 -3.329 -5.030 -19.627 521 1HE2 GLN 50 2HE2 GLN 50 -6.206 -2.260 -19.946 522 2HE2 GLN 50 1HE2 GLN 50 -4.572 -1.859 -19.750 523 QB GLN 50 QB GLN 50 -3.511 -5.045 -17.318 524 QG GLN 50 QG GLN 50 -3.127 -4.188 -19.472 525 QE2 GLN 50 QE2 GLN 50 -5.389 -2.060 -19.848 526 H LYS 51 HN LYS 51 -2.070 -4.223 -14.891 527 HA LYS 51 HA LYS 51 -4.016 -5.083 -13.055 528 1HB LYS 51 2HB LYS 51 -1.262 -4.012 -12.358 529 2HB LYS 51 3HB LYS 51 -2.203 -5.122 -11.401 530 1HG LYS 51 2HG LYS 51 -1.592 -5.987 -14.191 531 2HG LYS 51 3HG LYS 51 -0.236 -5.916 -13.090 532 1HD LYS 51 2HD LYS 51 -1.051 -8.124 -12.883 533 2HD LYS 51 3HD LYS 51 -1.645 -7.289 -11.456 534 1HE LYS 51 2HE LYS 51 -3.406 -8.656 -12.515 535 2HE LYS 51 3HE LYS 51 -3.831 -6.953 -12.516 536 1HZ LYS 51 2HZ LYS 51 -2.325 -7.627 -14.842 537 2HZ LYS 51 3HZ LYS 51 -3.694 -8.615 -14.718 538 3HZ LYS 51 1HZ LYS 51 -3.870 -6.920 -14.734 539 QB LYS 51 QB LYS 51 -1.732 -4.567 -11.879 540 QG LYS 51 QG LYS 51 -0.914 -5.952 -13.641 541 QD LYS 51 QD LYS 51 -1.348 -7.706 -12.169 542 QE LYS 51 QE LYS 51 -3.618 -7.804 -12.516 543 QZ LYS 51 QZ LYS 51 -3.297 -7.721 -14.765 544 H ALA 52 HN ALA 52 -2.208 -2.052 -13.142 545 HA ALA 52 HA ALA 52 -3.654 -0.872 -10.928 546 1HB ALA 52 2HB ALA 52 -1.872 0.339 -13.065 547 2HB ALA 52 3HB ALA 52 -2.432 1.187 -11.632 548 3HB ALA 52 1HB ALA 52 -1.367 -0.197 -11.467 549 QB ALA 52 QB ALA 52 -1.891 0.443 -12.055 550 H GLY 53 HN GLY 53 -3.635 -0.360 -14.468 551 1HA GLY 53 1HA GLY 53 -5.581 0.122 -15.787 552 2HA GLY 53 2HA GLY 53 -6.496 0.418 -14.308 553 QA GLY 53 QA GLY 53 -6.038 0.270 -15.048 554 H LYS 54 HN LYS 54 -3.447 1.851 -14.419 555 HA LYS 54 HA LYS 54 -4.626 4.490 -15.134 556 1HB LYS 54 2HB LYS 54 -3.941 4.045 -12.694 557 2HB LYS 54 3HB LYS 54 -2.281 4.036 -13.277 558 1HG LYS 54 2HG LYS 54 -2.980 6.310 -14.430 559 2HG LYS 54 3HG LYS 54 -4.257 6.284 -13.227 560 1HD LYS 54 2HD LYS 54 -1.275 6.112 -12.659 561 2HD LYS 54 3HD LYS 54 -2.282 7.532 -12.396 562 1HE LYS 54 2HE LYS 54 -3.161 6.717 -10.469 563 2HE LYS 54 3HE LYS 54 -3.318 5.085 -11.100 564 1HZ LYS 54 3HZ LYS 54 -0.574 5.754 -10.804 565 2HZ LYS 54 1HZ LYS 54 -1.412 6.032 -9.338 566 3HZ LYS 54 2HZ LYS 54 -1.435 4.489 -10.099 567 QB LYS 54 QB LYS 54 -3.111 4.040 -12.985 568 QG LYS 54 QG LYS 54 -3.618 6.297 -13.828 569 QD LYS 54 QD LYS 54 -1.778 6.822 -12.528 570 QE LYS 54 QE LYS 54 -3.240 5.901 -10.785 571 QZ LYS 54 QZ LYS 54 -1.140 5.425 -10.081 572 HA PRO 55 HA PRO 55 -2.136 2.144 -17.552 573 1HB PRO 55 2HB PRO 55 -2.846 2.908 -20.142 574 2HB PRO 55 3HB PRO 55 -3.871 1.960 -19.060 575 1HG PRO 55 2HG PRO 55 -4.126 4.792 -19.871 576 2HG PRO 55 3HG PRO 55 -5.344 3.730 -19.166 577 1HD PRO 55 2HD PRO 55 -3.840 5.789 -17.824 578 2HD PRO 55 3HD PRO 55 -4.997 4.653 -17.099 579 QB PRO 55 QB PRO 55 -3.358 2.434 -19.601 580 QG PRO 55 QG PRO 55 -4.735 4.261 -19.518 581 QD PRO 55 QD PRO 55 -4.418 5.221 -17.461 582 H VAL 56 HN VAL 56 -0.905 4.783 -17.008 583 HA VAL 56 HA VAL 56 1.289 4.691 -19.008 584 HB VAL 56 HB VAL 56 -0.183 6.671 -19.322 585 1HG1 VAL 56 1HG1 VAL 56 -0.962 6.871 -16.971 586 2HG1 VAL 56 2HG1 VAL 56 0.646 7.383 -16.482 587 3HG1 VAL 56 3HG1 VAL 56 -0.307 8.399 -17.557 588 1HG2 VAL 56 1HG2 VAL 56 2.247 6.882 -19.809 589 2HG2 VAL 56 2HG2 VAL 56 1.560 8.406 -19.259 590 3HG2 VAL 56 3HG2 VAL 56 2.523 7.428 -18.160 591 QG1 VAL 56 QG1 VAL 56 -0.207 7.551 -17.003 592 QG2 VAL 56 QG2 VAL 56 2.110 7.572 -19.076 593 QQG VAL 56 QQG VAL 56 0.951 7.562 -18.040 594 H GLU 57 HN GLU 57 0.477 4.478 -15.661 595 HA GLU 57 HA GLU 57 3.106 5.490 -14.763 596 1HB GLU 57 2HB GLU 57 2.327 4.933 -12.493 597 2HB GLU 57 3HB GLU 57 1.110 5.873 -13.346 598 1HG GLU 57 2HG GLU 57 -0.233 3.930 -13.755 599 2HG GLU 57 3HG GLU 57 1.065 2.837 -13.324 600 QB GLU 57 QB GLU 57 1.718 5.403 -12.920 601 QG GLU 57 QG GLU 57 0.416 3.383 -13.539 602 H THR 58 HN THR 58 4.236 4.094 -13.054 603 HA THR 58 HA THR 58 4.424 1.257 -13.970 604 HB THR 58 HB THR 58 6.964 1.551 -13.636 605 HG1 THR 58 1HG THR 58 7.012 4.157 -13.984 606 1HG2 THR 58 3HG2 THR 58 5.912 1.748 -15.954 607 2HG2 THR 58 1HG2 THR 58 5.702 3.474 -15.661 608 3HG2 THR 58 2HG2 THR 58 7.321 2.784 -15.749 609 QG2 THR 58 QG2 THR 58 6.312 2.669 -15.788 610 H VAL 59 HN VAL 59 6.313 3.058 -11.613 611 HA VAL 59 HA VAL 59 5.227 1.279 -9.470 612 HB VAL 59 HB VAL 59 8.026 2.481 -9.607 613 1HG1 VAL 59 3HG1 VAL 59 7.243 1.946 -7.308 614 2HG1 VAL 59 1HG1 VAL 59 6.885 0.296 -7.822 615 3HG1 VAL 59 2HG1 VAL 59 8.542 0.877 -7.811 616 1HG2 VAL 59 1HG2 VAL 59 7.102 -0.341 -10.245 617 2HG2 VAL 59 2HG2 VAL 59 7.710 0.830 -11.404 618 3HG2 VAL 59 3HG2 VAL 59 8.780 0.186 -10.166 619 QG1 VAL 59 QG1 VAL 59 7.557 1.040 -7.647 620 QG2 VAL 59 QG2 VAL 59 7.864 0.225 -10.605 621 QQG VAL 59 QQG VAL 59 7.711 0.632 -9.126 622 HA PRO 60 HA PRO 60 5.001 1.046 -7.611 623 1HB PRO 60 2HB PRO 60 3.856 1.544 -5.185 624 2HB PRO 60 3HB PRO 60 5.602 1.453 -5.418 625 1HG PRO 60 2HG PRO 60 3.883 3.857 -4.990 626 2HG PRO 60 3HG PRO 60 5.593 3.624 -4.613 627 1HD PRO 60 2HD PRO 60 4.543 5.016 -6.886 628 2HD PRO 60 3HD PRO 60 6.236 4.570 -6.618 629 QB PRO 60 QB PRO 60 4.729 1.498 -5.301 630 QG PRO 60 QG PRO 60 4.738 3.740 -4.802 631 QD PRO 60 QD PRO 60 5.389 4.793 -6.752 632 H GLN 61 HN GLN 61 3.020 -0.052 -7.019 633 HA GLN 61 HA GLN 61 0.538 1.487 -7.615 634 1HB GLN 61 2HB GLN 61 1.299 -1.225 -8.794 635 2HB GLN 61 3HB GLN 61 -0.258 -0.429 -9.007 636 1HG GLN 61 2HG GLN 61 0.949 1.557 -10.009 637 2HG GLN 61 3HG GLN 61 2.451 0.657 -9.875 638 1HE2 GLN 61 2HE2 GLN 61 0.495 0.194 -13.229 639 2HE2 GLN 61 1HE2 GLN 61 0.346 1.534 -12.188 640 QB GLN 61 QB GLN 61 0.520 -0.827 -8.901 641 QG GLN 61 QG GLN 61 1.700 1.107 -9.942 642 QE2 GLN 61 QE2 GLN 61 0.421 0.864 -12.708 643 H ILE 62 HN ILE 62 -0.705 1.326 -5.911 644 HA ILE 62 HA ILE 62 -0.425 -1.014 -4.095 645 HB ILE 62 HB ILE 62 -1.303 1.827 -3.449 646 1HG1 ILE 62 2HG1 ILE 62 0.819 1.664 -1.949 647 2HG1 ILE 62 3HG1 ILE 62 1.278 0.320 -2.986 648 1HG2 ILE 62 2HG2 ILE 62 -0.921 -0.614 -1.690 649 2HG2 ILE 62 3HG2 ILE 62 -1.224 1.008 -1.092 650 3HG2 ILE 62 1HG2 ILE 62 -2.450 0.185 -2.044 651 1HD1 ILE 62 1HD1 ILE 62 0.555 3.068 -4.046 652 2HD1 ILE 62 2HD1 ILE 62 2.204 2.545 -3.719 653 3HD1 ILE 62 3HD1 ILE 62 1.267 1.733 -4.945 654 QG1 ILE 62 QG1 ILE 62 1.049 0.992 -2.468 655 QG2 ILE 62 QG2 ILE 62 -1.532 0.193 -1.608 656 QD1 ILE 62 QD1 ILE 62 1.342 2.449 -4.237 657 H PHE 63 HN PHE 63 -2.153 -1.943 -3.400 658 HA PHE 63 HA PHE 63 -4.773 -1.234 -4.672 659 1HB PHE 63 2HB PHE 63 -3.542 -3.976 -4.163 660 2HB PHE 63 3HB PHE 63 -5.202 -3.734 -4.689 661 HD1 PHE 63 2HD PHE 63 -1.771 -2.499 -5.744 662 HD2 PHE 63 1HD PHE 63 -5.552 -4.048 -6.954 663 HE1 PHE 63 2HE PHE 63 -1.072 -2.373 -8.080 664 HE2 PHE 63 1HE PHE 63 -4.861 -3.865 -9.312 665 HZ PHE 63 HZ PHE 63 -2.642 -2.992 -9.869 666 QB PHE 63 QB PHE 63 -4.372 -3.855 -4.426 667 QR PHE 63 QR PHE 63 -3.314 -3.196 -7.522 668 H VAL 64 HN VAL 64 -6.528 -1.229 -3.320 669 HA VAL 64 HA VAL 64 -5.964 -2.002 -0.476 670 HB VAL 64 HB VAL 64 -7.848 0.167 -1.466 671 1HG1 VAL 64 3HG1 VAL 64 -7.127 -0.752 1.338 672 2HG1 VAL 64 1HG1 VAL 64 -8.113 0.662 0.957 673 3HG1 VAL 64 2HG1 VAL 64 -8.696 -0.947 0.556 674 1HG2 VAL 64 2HG2 VAL 64 -5.407 0.763 -1.566 675 2HG2 VAL 64 3HG2 VAL 64 -6.278 1.707 -0.362 676 3HG2 VAL 64 1HG2 VAL 64 -5.267 0.353 0.147 677 QG1 VAL 64 QG1 VAL 64 -7.979 -0.346 0.950 678 QG2 VAL 64 QG2 VAL 64 -5.650 0.941 -0.594 679 QQG VAL 64 QQG VAL 64 -6.814 0.298 0.178 680 H ASP 65 HN ASP 65 -7.159 -3.412 0.357 681 HA ASP 65 HA ASP 65 -8.626 -5.142 0.608 682 1HB ASP 65 2HB ASP 65 -10.527 -3.015 -0.416 683 2HB ASP 65 3HB ASP 65 -11.029 -4.491 0.400 684 QB ASP 65 QB ASP 65 -10.778 -3.753 -0.008 685 H GLN 66 HN GLN 66 -9.929 -3.774 -2.430 686 HA GLN 66 HA GLN 66 -9.440 -6.456 -3.616 687 1HB GLN 66 2HB GLN 66 -11.989 -4.843 -3.817 688 2HB GLN 66 3HB GLN 66 -11.643 -6.236 -4.833 689 1HG GLN 66 2HG GLN 66 -11.323 -7.604 -2.735 690 2HG GLN 66 3HG GLN 66 -11.850 -6.207 -1.797 691 1HE2 GLN 66 1HE2 GLN 66 -15.221 -7.078 -2.246 692 2HE2 GLN 66 2HE2 GLN 66 -14.023 -6.376 -1.268 693 QB GLN 66 QB GLN 66 -11.816 -5.540 -4.325 694 QG GLN 66 QG GLN 66 -11.587 -6.905 -2.266 695 QE2 GLN 66 QE2 GLN 66 -14.622 -6.727 -1.757 696 H GLN 67 HN GLN 67 -9.674 -3.003 -4.352 697 HA GLN 67 HA GLN 67 -8.813 -3.662 -7.117 698 1HB GLN 67 2HB GLN 67 -9.855 -1.494 -7.708 699 2HB GLN 67 3HB GLN 67 -11.021 -2.616 -7.057 700 1HG GLN 67 2HG GLN 67 -9.642 -0.758 -5.144 701 2HG GLN 67 3HG GLN 67 -10.865 -0.072 -6.206 702 1HE2 GLN 67 2HE2 GLN 67 -12.065 -2.235 -3.046 703 2HE2 GLN 67 1HE2 GLN 67 -10.435 -1.819 -3.256 704 QB GLN 67 QB GLN 67 -10.438 -2.055 -7.382 705 QG GLN 67 QG GLN 67 -10.253 -0.415 -5.675 706 QE2 GLN 67 QE2 GLN 67 -11.250 -2.027 -3.151 707 H HIS 68 HN HIS 68 -7.706 -1.834 -8.204 708 HA HIS 68 HA HIS 68 -5.322 -1.060 -6.708 709 1HB HIS 68 2HB HIS 68 -5.145 -1.449 -9.111 710 2HB HIS 68 3HB HIS 68 -6.389 -0.275 -9.445 711 HD1 HIS 68 HD1 HIS 68 -5.149 1.482 -10.631 712 HD2 HIS 68 HD2 HIS 68 -3.029 0.311 -7.305 713 HE1 HIS 68 HE1 HIS 68 -3.216 3.074 -10.406 714 QB HIS 68 QB HIS 68 -5.767 -0.862 -9.278 715 H ILE 69 HN ILE 69 -4.882 1.100 -5.998 716 HA ILE 69 HA ILE 69 -7.268 2.922 -6.081 717 HB ILE 69 HB ILE 69 -5.282 2.613 -3.804 718 1HG1 ILE 69 2HG1 ILE 69 -6.739 0.627 -4.019 719 2HG1 ILE 69 3HG1 ILE 69 -7.124 1.557 -2.586 720 1HG2 ILE 69 1HG2 ILE 69 -7.864 4.196 -4.029 721 2HG2 ILE 69 2HG2 ILE 69 -6.921 3.999 -2.556 722 3HG2 ILE 69 3HG2 ILE 69 -6.246 4.865 -3.930 723 1HD1 ILE 69 1HD1 ILE 69 -9.051 2.591 -3.740 724 2HD1 ILE 69 2HD1 ILE 69 -8.678 1.673 -5.188 725 3HD1 ILE 69 3HD1 ILE 69 -9.184 0.845 -3.733 726 QG1 ILE 69 QG1 ILE 69 -6.932 1.092 -3.302 727 QG2 ILE 69 QG2 ILE 69 -7.010 4.353 -3.505 728 QD1 ILE 69 QD1 ILE 69 -8.971 1.703 -4.220 729 H GLY 70 HN GLY 70 -3.820 2.557 -6.208 730 1HA GLY 70 1HA GLY 70 -3.240 4.464 -8.091 731 2HA GLY 70 2HA GLY 70 -3.321 5.400 -6.619 732 QA GLY 70 QA GLY 70 -3.281 4.932 -7.355 733 H GLY 71 HN GLY 71 -1.022 5.755 -7.339 734 1HA GLY 71 1HA GLY 71 0.802 3.553 -6.488 735 2HA GLY 71 2HA GLY 71 1.278 4.881 -7.551 736 QA GLY 71 QA GLY 71 1.040 4.217 -7.019 737 OH TYR 72 OH TYR 72 5.522 9.238 0.953 738 H TYR 72 HN TYR 72 2.961 5.646 -6.070 739 HA TYR 72 HA TYR 72 2.140 6.261 -3.307 740 1HB TYR 72 2HB TYR 72 4.500 5.580 -3.859 741 2HB TYR 72 3HB TYR 72 4.694 7.090 -4.742 742 HD1 TYR 72 HD2 TYR 72 3.088 6.264 -1.438 743 HD2 TYR 72 HD1 TYR 72 6.023 8.545 -3.503 744 HE1 TYR 72 HE2 TYR 72 3.701 7.373 0.662 745 HE2 TYR 72 HE1 TYR 72 6.578 9.717 -1.426 746 HH TYR 72 HH TYR 72 4.905 9.975 1.082 747 QB TYR 72 QB TYR 72 4.597 6.335 -4.300 748 QR TYR 72 QR TYR 72 4.847 7.975 -1.426 749 H THR 73 HN THR 73 0.479 7.449 -5.124 750 HA THR 73 HA THR 73 0.821 10.312 -4.485 751 HB THR 73 HB THR 73 0.017 10.820 -6.933 752 HG1 THR 73 1HG THR 73 -0.366 9.005 -8.029 753 1HG2 THR 73 2HG2 THR 73 2.461 11.056 -6.254 754 2HG2 THR 73 3HG2 THR 73 2.696 9.370 -6.697 755 3HG2 THR 73 1HG2 THR 73 2.250 10.547 -7.925 756 QG2 THR 73 QG2 THR 73 2.469 10.325 -6.959 757 H ASP 74 HN ASP 74 -1.308 8.370 -6.507 758 HA ASP 74 HA ASP 74 -3.690 9.672 -5.457 759 1HB ASP 74 2HB ASP 74 -4.302 7.166 -6.798 760 2HB ASP 74 3HB ASP 74 -4.673 8.806 -7.302 761 QB ASP 74 QB ASP 74 -4.488 7.986 -7.050 762 H PHE 75 HN PHE 75 -2.445 6.295 -5.242 763 HA PHE 75 HA PHE 75 -4.338 5.416 -3.293 764 1HB PHE 75 2HB PHE 75 -2.873 3.702 -4.092 765 2HB PHE 75 3HB PHE 75 -1.433 4.638 -3.713 766 HD1 PHE 75 2HD PHE 75 -4.444 3.198 -2.002 767 HD2 PHE 75 1HD PHE 75 -0.305 4.140 -1.698 768 HE1 PHE 75 2HE PHE 75 -4.382 2.256 0.259 769 HE2 PHE 75 1HE PHE 75 -0.256 3.158 0.553 770 HZ PHE 75 HZ PHE 75 -2.301 2.201 1.527 771 QB PHE 75 QB PHE 75 -2.153 4.170 -3.902 772 QR PHE 75 QR PHE 75 -2.347 3.188 -0.722 773 H ALA 76 HN ALA 76 -1.094 6.723 -2.838 774 HA ALA 76 HA ALA 76 -0.950 7.222 -0.143 775 1HB ALA 76 1HB ALA 76 0.788 7.954 -1.784 776 2HB ALA 76 2HB ALA 76 -0.263 9.260 -2.314 777 3HB ALA 76 3HB ALA 76 0.386 9.266 -0.681 778 QB ALA 76 QB ALA 76 0.304 8.827 -1.593 779 H ALA 77 HN ALA 77 -2.560 9.480 -2.417 780 HA ALA 77 HA ALA 77 -3.650 11.164 -0.363 781 1HB ALA 77 3HB ALA 77 -3.552 11.839 -2.750 782 2HB ALA 77 1HB ALA 77 -4.749 10.613 -3.150 783 3HB ALA 77 2HB ALA 77 -5.193 11.979 -2.122 784 QB ALA 77 QB ALA 77 -4.498 11.477 -2.674 785 CH2 TRP 78 CH2 TRP 78 -8.037 2.956 1.939 786 H TRP 78 HN TRP 78 -5.335 8.610 -2.273 787 HA TRP 78 HA TRP 78 -7.808 8.622 -0.993 788 1HB TRP 78 2HB TRP 78 -7.450 6.973 -2.706 789 2HB TRP 78 3HB TRP 78 -6.166 6.220 -1.803 790 HD1 TRP 78 HD1 TRP 78 -10.038 6.405 -1.893 791 HE1 TRP 78 HE1 TRP 78 -11.026 4.858 -0.190 792 HE3 TRP 78 HE3 TRP 78 -5.776 4.703 0.093 793 HZ2 TRP 78 HZ2 TRP 78 -10.161 2.999 1.688 794 HZ3 TRP 78 HZ3 TRP 78 -5.907 3.094 1.976 795 HH2 TRP 78 HH2 TRP 78 -8.071 2.225 2.735 796 QB TRP 78 QB TRP 78 -6.808 6.596 -2.254 797 H VAL 79 HN VAL 79 -4.898 6.935 0.099 798 HA VAL 79 HA VAL 79 -5.768 5.782 2.479 799 HB VAL 79 HB VAL 79 -3.188 7.316 1.960 800 1HG1 VAL 79 1HG1 VAL 79 -3.622 7.053 4.389 801 2HG1 VAL 79 2HG1 VAL 79 -3.841 5.324 4.139 802 3HG1 VAL 79 3HG1 VAL 79 -2.270 6.063 3.858 803 1HG2 VAL 79 2HG2 VAL 79 -3.570 5.329 0.496 804 2HG2 VAL 79 3HG2 VAL 79 -2.229 5.077 1.602 805 3HG2 VAL 79 1HG2 VAL 79 -3.794 4.341 1.931 806 QG1 VAL 79 QG1 VAL 79 -3.244 6.147 4.129 807 QG2 VAL 79 QG2 VAL 79 -3.197 4.916 1.343 808 QQG VAL 79 QQG VAL 79 -3.221 5.531 2.736 809 H LYS 80 HN LYS 80 -4.486 9.045 2.118 810 HA LYS 80 HA LYS 80 -5.011 9.990 4.708 811 1HB LYS 80 2HB LYS 80 -3.963 11.039 2.410 812 2HB LYS 80 3HB LYS 80 -5.468 11.925 2.482 813 1HG LYS 80 2HG LYS 80 -3.398 11.722 4.710 814 2HG LYS 80 3HG LYS 80 -3.616 13.107 3.659 815 1HD LYS 80 2HD LYS 80 -5.722 12.052 5.566 816 2HD LYS 80 3HD LYS 80 -4.680 13.418 5.892 817 1HE LYS 80 2HE LYS 80 -6.294 14.695 4.964 818 2HE LYS 80 3HE LYS 80 -5.749 14.074 3.416 819 1HZ LYS 80 3HZ LYS 80 -7.499 12.205 4.597 820 2HZ LYS 80 1HZ LYS 80 -8.229 13.718 4.654 821 3HZ LYS 80 2HZ LYS 80 -7.683 13.106 3.153 822 QB LYS 80 QB LYS 80 -4.716 11.482 2.446 823 QG LYS 80 QG LYS 80 -3.507 12.414 4.184 824 QD LYS 80 QD LYS 80 -5.201 12.735 5.729 825 QE LYS 80 QE LYS 80 -6.022 14.385 4.190 826 QZ LYS 80 QZ LYS 80 -7.804 13.009 4.135 827 H GLU 81 HN GLU 81 -7.088 10.559 1.871 828 HA GLU 81 HA GLU 81 -9.226 11.735 3.336 829 1HB GLU 81 2HB GLU 81 -8.978 10.487 0.618 830 2HB GLU 81 3HB GLU 81 -10.578 10.886 1.214 831 1HG GLU 81 2HG GLU 81 -9.614 12.745 -0.119 832 2HG GLU 81 3HG GLU 81 -9.924 13.235 1.537 833 QB GLU 81 QB GLU 81 -9.778 10.686 0.916 834 QG GLU 81 QG GLU 81 -9.769 12.990 0.709 835 H ASN 82 HN ASN 82 -8.790 8.249 2.709 836 HA ASN 82 HA ASN 82 -11.468 7.902 4.017 837 1HB ASN 82 2HB ASN 82 -9.647 5.857 2.630 838 2HB ASN 82 3HB ASN 82 -11.180 5.448 3.384 839 1HD2 ASN 82 2HD2 ASN 82 -11.686 7.972 0.218 840 2HD2 ASN 82 1HD2 ASN 82 -10.608 8.403 1.456 841 QB ASN 82 QB ASN 82 -10.414 5.652 3.007 842 QD2 ASN 82 QD2 ASN 82 -11.147 8.188 0.837 843 H LEU 83 HN LEU 83 -8.131 7.431 4.802 844 HA LEU 83 HA LEU 83 -8.973 5.783 7.078 845 1HB LEU 83 2HB LEU 83 -6.276 7.087 6.556 846 2HB LEU 83 3HB LEU 83 -6.621 5.866 7.769 847 HG LEU 83 HG LEU 83 -6.574 5.535 4.754 848 1HD1 LEU 83 2HD1 LEU 83 -4.508 5.249 6.083 849 2HD1 LEU 83 3HD1 LEU 83 -5.304 4.011 7.044 850 3HD1 LEU 83 1HD1 LEU 83 -5.018 3.739 5.326 851 1HD2 LEU 83 2HD2 LEU 83 -7.725 3.573 6.765 852 2HD2 LEU 83 3HD2 LEU 83 -8.651 4.444 5.550 853 3HD2 LEU 83 1HD2 LEU 83 -7.456 3.259 5.055 854 QB LEU 83 QB LEU 83 -6.448 6.477 7.162 855 QD1 LEU 83 QD1 LEU 83 -4.943 4.333 6.151 856 QD2 LEU 83 QD2 LEU 83 -7.944 3.759 5.790 857 QQD LEU 83 QQD LEU 83 -6.444 4.046 5.971 858 H ASP 84 HN ASP 84 -7.665 9.069 6.515 859 HA ASP 84 HA ASP 84 -7.484 10.764 8.264 860 1HB ASP 84 2HB ASP 84 -9.999 10.511 6.725 861 2HB ASP 84 3HB ASP 84 -10.128 11.546 8.136 862 QB ASP 84 QB ASP 84 -10.064 11.028 7.430 863 H ALA 85 HN ALA 85 -10.632 9.420 8.664 864 HA ALA 85 HA ALA 85 -11.225 10.252 11.291 865 1HB ALA 85 1HB ALA 85 -11.987 7.608 10.012 866 2HB ALA 85 2HB ALA 85 -12.769 8.310 11.424 867 3HB ALA 85 3HB ALA 85 -12.874 9.123 9.866 868 QB ALA 85 QB ALA 85 -12.543 8.347 10.434 Start of MODEL 3 Raw file had 868 H/Q atoms Start of MODEL 3 1 H MET 1 HN MET 1 -8.433 -2.872 8.499 2 HA MET 1 HA MET 1 -8.995 -3.602 5.852 3 1HB MET 1 2HB MET 1 -8.710 -1.245 6.911 4 2HB MET 1 3HB MET 1 -6.989 -1.464 6.667 5 1HG MET 1 2HG MET 1 -7.784 -0.264 4.778 6 2HG MET 1 3HG MET 1 -7.462 -1.884 4.228 7 1HE MET 1 2HE MET 1 -9.730 1.006 4.424 8 2HE MET 1 3HE MET 1 -11.375 0.393 4.349 9 3HE MET 1 1HE MET 1 -10.432 0.185 5.822 10 QB MET 1 QB MET 1 -7.850 -1.355 6.789 11 QG MET 1 QG MET 1 -7.623 -1.074 4.503 12 QE MET 1 QE MET 1 -10.513 0.528 4.865 13 H GLN 2 HN GLN 2 -7.497 -3.917 4.034 14 HA GLN 2 HA GLN 2 -4.817 -4.950 4.820 15 1HB GLN 2 2HB GLN 2 -6.914 -6.241 3.065 16 2HB GLN 2 3HB GLN 2 -5.221 -6.675 2.946 17 1HG GLN 2 2HG GLN 2 -6.230 -8.262 4.443 18 2HG GLN 2 3HG GLN 2 -5.255 -7.188 5.431 19 1HE2 GLN 2 2HE2 GLN 2 -9.197 -6.163 5.662 20 2HE2 GLN 2 1HE2 GLN 2 -8.402 -6.074 4.167 21 QB GLN 2 QB GLN 2 -6.068 -6.458 3.005 22 QG GLN 2 QG GLN 2 -5.743 -7.725 4.937 23 QE2 GLN 2 QE2 GLN 2 -8.799 -6.119 4.914 24 H THR 3 HN THR 3 -3.201 -4.111 3.503 25 HA THR 3 HA THR 3 -4.056 -2.913 0.879 26 HB THR 3 HB THR 3 -1.698 -2.020 2.603 27 HG1 THR 3 1HG THR 3 -3.240 -1.075 3.676 28 1HG2 THR 3 2HG2 THR 3 -3.226 -0.665 0.324 29 2HG2 THR 3 3HG2 THR 3 -1.854 0.012 1.190 30 3HG2 THR 3 1HG2 THR 3 -1.630 -1.380 0.139 31 QG2 THR 3 QG2 THR 3 -2.237 -0.678 0.551 32 H VAL 4 HN VAL 4 -2.858 -3.357 -0.945 33 HA VAL 4 HA VAL 4 -0.520 -5.245 -0.642 34 HB VAL 4 HB VAL 4 -2.551 -5.077 -2.908 35 1HG1 VAL 4 3HG1 VAL 4 -0.193 -6.955 -2.456 36 2HG1 VAL 4 1HG1 VAL 4 -1.362 -7.089 -3.763 37 3HG1 VAL 4 2HG1 VAL 4 -0.281 -5.702 -3.693 38 1HG2 VAL 4 3HG2 VAL 4 -2.075 -7.223 -0.801 39 2HG2 VAL 4 1HG2 VAL 4 -3.466 -6.146 -0.865 40 3HG2 VAL 4 2HG2 VAL 4 -3.223 -7.341 -2.133 41 QG1 VAL 4 QG1 VAL 4 -0.612 -6.582 -3.304 42 QG2 VAL 4 QG2 VAL 4 -2.922 -6.903 -1.266 43 QQG VAL 4 QQG VAL 4 -1.767 -6.743 -2.285 44 H ILE 5 HN ILE 5 1.318 -4.487 -1.342 45 HA ILE 5 HA ILE 5 1.345 -2.167 -3.240 46 HB ILE 5 HB ILE 5 3.520 -2.954 -1.272 47 1HG1 ILE 5 2HG1 ILE 5 1.477 -2.487 0.024 48 2HG1 ILE 5 3HG1 ILE 5 2.659 -1.212 0.256 49 1HG2 ILE 5 1HG2 ILE 5 2.925 -0.377 -2.774 50 2HG2 ILE 5 2HG2 ILE 5 4.197 -0.560 -1.572 51 3HG2 ILE 5 3HG2 ILE 5 4.263 -1.477 -3.074 52 1HD1 ILE 5 3HD1 ILE 5 0.308 -1.073 -1.658 53 2HD1 ILE 5 1HD1 ILE 5 0.396 -0.277 -0.092 54 3HD1 ILE 5 2HD1 ILE 5 1.487 0.202 -1.379 55 QG1 ILE 5 QG1 ILE 5 2.068 -1.850 0.140 56 QG2 ILE 5 QG2 ILE 5 3.795 -0.805 -2.473 57 QD1 ILE 5 QD1 ILE 5 0.730 -0.383 -1.043 58 H PHE 6 HN PHE 6 1.805 -2.984 -5.192 59 HA PHE 6 HA PHE 6 3.560 -5.336 -5.534 60 1HB PHE 6 2HB PHE 6 2.159 -3.529 -7.550 61 2HB PHE 6 3HB PHE 6 3.032 -4.986 -7.966 62 HD1 PHE 6 1HD PHE 6 2.137 -7.210 -7.284 63 HD2 PHE 6 2HD PHE 6 -0.084 -3.640 -6.623 64 HE1 PHE 6 1HE PHE 6 0.077 -8.528 -7.099 65 HE2 PHE 6 2HE PHE 6 -2.154 -4.960 -6.465 66 HZ PHE 6 HZ PHE 6 -2.072 -7.409 -6.672 67 QB PHE 6 QB PHE 6 2.596 -4.258 -7.758 68 QR PHE 6 QR PHE 6 -0.006 -6.084 -6.868 69 H GLY 7 HN GLY 7 5.698 -4.700 -5.122 70 1HA GLY 7 1HA GLY 7 6.725 -2.332 -6.664 71 2HA GLY 7 2HA GLY 7 7.332 -2.761 -5.070 72 QA GLY 7 QA GLY 7 7.029 -2.546 -5.867 73 NH1 ARG 8 NH1 ARG 8 15.097 -1.269 -9.476 74 NH2 ARG 8 NH2 ARG 8 14.413 -1.753 -11.591 75 H ARG 8 HN ARG 8 9.469 -2.814 -6.374 76 HA ARG 8 HA ARG 8 9.695 -5.542 -7.600 77 1HB ARG 8 2HB ARG 8 11.601 -4.634 -8.984 78 2HB ARG 8 3HB ARG 8 10.018 -3.995 -9.388 79 1HG ARG 8 2HG ARG 8 10.480 -1.951 -8.120 80 2HG ARG 8 3HG ARG 8 12.037 -2.595 -7.600 81 1HD ARG 8 2HD ARG 8 11.350 -2.337 -10.539 82 2HD ARG 8 3HD ARG 8 12.001 -0.971 -9.637 83 HE ARG 8 HE ARG 8 13.518 -3.548 -9.589 84 1HH1 ARG 8 2HH1 ARG 8 14.984 -1.404 -8.491 85 2HH1 ARG 8 1HH1 ARG 8 15.826 -0.669 -9.811 86 1HH2 ARG 8 2HH2 ARG 8 13.784 -2.242 -12.195 87 2HH2 ARG 8 1HH2 ARG 8 15.127 -1.177 -11.985 88 QB ARG 8 QB ARG 8 10.810 -4.315 -9.186 89 QG ARG 8 QG ARG 8 11.259 -2.273 -7.860 90 QD ARG 8 QD ARG 8 11.675 -1.654 -10.088 91 QH1 ARG 8 QH1 ARG 8 15.405 -1.036 -9.151 92 QH2 ARG 8 QH2 ARG 8 14.456 -1.709 -12.090 93 H SER 9 HN SER 9 9.992 -4.988 -4.892 94 HA SER 9 HA SER 9 11.230 -6.010 -3.196 95 1HB SER 9 2HB SER 9 13.442 -6.346 -5.246 96 2HB SER 9 3HB SER 9 13.447 -7.004 -3.606 97 HG SER 9 HG SER 9 11.107 -7.661 -4.470 98 QB SER 9 QB SER 9 13.444 -6.675 -4.426 99 H GLY 10 HN GLY 10 11.053 -3.326 -2.975 100 1HA GLY 10 1HA GLY 10 12.119 -1.745 -1.562 101 2HA GLY 10 2HA GLY 10 13.551 -2.754 -1.563 102 QA GLY 10 QA GLY 10 12.835 -2.249 -1.563 103 H CYS 11 HN CYS 11 11.750 -0.626 -3.791 104 HA CYS 11 HA CYS 11 14.413 0.246 -4.865 105 1HB CYS 11 2HB CYS 11 12.419 1.192 -6.564 106 2HB CYS 11 3HB CYS 11 13.440 -0.198 -6.838 107 QB CYS 11 QB CYS 11 12.929 0.497 -6.701 108 HA PRO 12 HA PRO 12 13.622 4.651 -3.773 109 1HB PRO 12 2HB PRO 12 14.035 4.839 -6.749 110 2HB PRO 12 3HB PRO 12 14.671 5.884 -5.468 111 1HG PRO 12 2HG PRO 12 16.220 3.983 -6.653 112 2HG PRO 12 3HG PRO 12 16.410 4.390 -4.942 113 1HD PRO 12 2HD PRO 12 15.222 1.941 -6.169 114 2HD PRO 12 3HD PRO 12 15.912 2.154 -4.544 115 QB PRO 12 QB PRO 12 14.353 5.361 -6.109 116 QG PRO 12 QG PRO 12 16.315 4.187 -5.797 117 QD PRO 12 QD PRO 12 15.567 2.047 -5.357 118 OH TYR 13 OH TYR 13 5.184 8.443 -8.323 119 H TYR 13 HN TYR 13 11.737 5.866 -3.964 120 HA TYR 13 HA TYR 13 9.529 6.420 -4.603 121 1HB TYR 13 2HB TYR 13 10.507 5.687 -7.004 122 2HB TYR 13 3HB TYR 13 9.446 4.313 -6.750 123 HD1 TYR 13 HD1 TYR 13 7.031 5.366 -5.530 124 HD2 TYR 13 HD2 TYR 13 9.529 7.207 -8.450 125 HE1 TYR 13 HE1 TYR 13 5.120 6.658 -6.361 126 HE2 TYR 13 HE2 TYR 13 7.632 8.538 -9.231 127 HH TYR 13 HH TYR 13 4.360 8.055 -8.009 128 QB TYR 13 QB TYR 13 9.977 5.000 -6.877 129 QR TYR 13 QR TYR 13 7.328 6.942 -7.393 130 H CYS 14 HN CYS 14 10.140 2.958 -5.188 131 HA CYS 14 HA CYS 14 7.704 1.944 -4.228 132 1HB CYS 14 2HB CYS 14 10.370 0.600 -3.880 133 2HB CYS 14 3HB CYS 14 8.817 -0.173 -4.005 134 QB CYS 14 QB CYS 14 9.594 0.213 -3.942 135 H VAL 15 HN VAL 15 10.746 2.456 -2.444 136 HA VAL 15 HA VAL 15 9.924 1.568 0.082 137 HB VAL 15 HB VAL 15 11.555 4.082 -0.489 138 1HG1 VAL 15 3HG1 VAL 15 10.646 4.005 1.844 139 2HG1 VAL 15 1HG1 VAL 15 11.318 2.388 2.037 140 3HG1 VAL 15 2HG1 VAL 15 12.390 3.767 1.822 141 1HG2 VAL 15 3HG2 VAL 15 12.355 1.217 0.140 142 2HG2 VAL 15 1HG2 VAL 15 12.514 1.989 -1.426 143 3HG2 VAL 15 2HG2 VAL 15 13.480 2.559 -0.075 144 QG1 VAL 15 QG1 VAL 15 11.451 3.386 1.901 145 QG2 VAL 15 QG2 VAL 15 12.783 1.922 -0.454 146 QQG VAL 15 QQG VAL 15 12.117 2.654 0.723 147 NH1 ARG 16 NH1 ARG 16 11.359 7.771 2.284 148 NH2 ARG 16 NH2 ARG 16 9.768 7.523 3.901 149 H ARG 16 HN ARG 16 9.187 4.599 -1.560 150 HA ARG 16 HA ARG 16 7.654 5.683 0.669 151 1HB ARG 16 2HB ARG 16 7.929 6.558 -2.201 152 2HB ARG 16 3HB ARG 16 6.833 7.340 -1.074 153 1HG ARG 16 2HG ARG 16 9.840 7.056 -0.668 154 2HG ARG 16 3HG ARG 16 9.030 8.523 -1.197 155 1HD ARG 16 2HD ARG 16 9.049 9.000 1.059 156 2HD ARG 16 3HD ARG 16 7.588 8.012 1.063 157 HE ARG 16 HE ARG 16 9.076 6.063 1.723 158 1HH1 ARG 16 2HH1 ARG 16 11.605 7.697 1.321 159 2HH1 ARG 16 1HH1 ARG 16 12.034 8.102 2.945 160 1HH2 ARG 16 2HH2 ARG 16 8.816 7.295 4.131 161 2HH2 ARG 16 1HH2 ARG 16 10.393 7.818 4.623 162 QB ARG 16 QB ARG 16 7.381 6.949 -1.638 163 QG ARG 16 QG ARG 16 9.435 7.790 -0.933 164 QD ARG 16 QD ARG 16 8.319 8.506 1.061 165 QH1 ARG 16 QH1 ARG 16 11.820 7.899 2.133 166 QH2 ARG 16 QH2 ARG 16 9.605 7.556 4.377 167 H ALA 17 HN ALA 17 6.430 4.000 1.061 168 HA ALA 17 HA ALA 17 3.769 3.930 0.231 169 1HB ALA 17 3HB ALA 17 5.386 1.693 -1.088 170 2HB ALA 17 1HB ALA 17 3.630 1.819 -1.080 171 3HB ALA 17 2HB ALA 17 4.589 3.007 -1.949 172 QB ALA 17 QB ALA 17 4.535 2.173 -1.372 173 H LYS 18 HN LYS 18 6.451 1.736 0.954 174 HA LYS 18 HA LYS 18 4.969 0.141 2.834 175 1HB LYS 18 2HB LYS 18 7.006 -0.638 1.581 176 2HB LYS 18 3HB LYS 18 7.974 0.530 2.457 177 1HG LYS 18 2HG LYS 18 6.308 -1.503 3.958 178 2HG LYS 18 3HG LYS 18 7.896 -1.930 3.331 179 1HD LYS 18 2HD LYS 18 8.748 0.204 4.500 180 2HD LYS 18 3HD LYS 18 7.210 0.224 5.335 181 1HE LYS 18 2HE LYS 18 9.097 -2.162 5.328 182 2HE LYS 18 3HE LYS 18 9.119 -0.923 6.570 183 1HZ LYS 18 3HZ LYS 18 6.478 -1.759 6.411 184 2HZ LYS 18 1HZ LYS 18 7.407 -3.175 6.373 185 3HZ LYS 18 2HZ LYS 18 7.591 -2.058 7.642 186 QB LYS 18 QB LYS 18 7.490 -0.054 2.019 187 QG LYS 18 QG LYS 18 7.102 -1.717 3.645 188 QD LYS 18 QD LYS 18 7.979 0.214 4.917 189 QE LYS 18 QE LYS 18 9.108 -1.543 5.949 190 QZ LYS 18 QZ LYS 18 7.159 -2.331 6.808 191 H ASP 19 HN ASP 19 7.321 2.808 3.032 192 HA ASP 19 HA ASP 19 7.466 3.031 5.867 193 1HB ASP 19 2HB ASP 19 8.286 5.263 5.471 194 2HB ASP 19 3HB ASP 19 8.867 4.287 4.127 195 QB ASP 19 QB ASP 19 8.577 4.775 4.799 196 H LEU 20 HN LEU 20 5.181 4.331 3.504 197 HA LEU 20 HA LEU 20 3.673 5.795 5.463 198 1HB LEU 20 2HB LEU 20 3.504 6.175 2.977 199 2HB LEU 20 3HB LEU 20 2.630 4.657 2.841 200 HG LEU 20 HG LEU 20 0.826 5.518 4.251 201 1HD1 LEU 20 3HD1 LEU 20 2.524 8.040 4.485 202 2HD1 LEU 20 1HD1 LEU 20 0.854 7.894 5.034 203 3HD1 LEU 20 2HD1 LEU 20 2.111 6.941 5.804 204 1HD2 LEU 20 2HD2 LEU 20 1.660 7.531 2.120 205 2HD2 LEU 20 3HD2 LEU 20 0.728 6.063 1.846 206 3HD2 LEU 20 1HD2 LEU 20 0.040 7.379 2.791 207 QB LEU 20 QB LEU 20 3.067 5.416 2.909 208 QD1 LEU 20 QD1 LEU 20 1.829 7.625 5.108 209 QD2 LEU 20 QD2 LEU 20 0.809 6.991 2.253 210 QQD LEU 20 QQD LEU 20 1.319 7.308 3.680 211 H ALA 21 HN ALA 21 2.872 2.675 3.840 212 HA ALA 21 HA ALA 21 0.648 1.927 5.281 213 1HB ALA 21 1HB ALA 21 3.000 0.088 4.670 214 2HB ALA 21 2HB ALA 21 1.376 -0.449 5.080 215 3HB ALA 21 3HB ALA 21 1.656 0.438 3.590 216 QB ALA 21 QB ALA 21 2.011 0.026 4.447 217 H GLU 22 HN GLU 22 3.990 1.353 6.428 218 HA GLU 22 HA GLU 22 3.644 0.109 8.837 219 1HB GLU 22 2HB GLU 22 5.394 2.496 8.174 220 2HB GLU 22 3HB GLU 22 5.583 1.512 9.598 221 1HG GLU 22 2HG GLU 22 5.466 -0.047 7.099 222 2HG GLU 22 3HG GLU 22 6.855 1.024 7.238 223 QB GLU 22 QB GLU 22 5.488 2.004 8.886 224 QG GLU 22 QG GLU 22 6.161 0.488 7.169 225 H LYS 23 HN LYS 23 3.059 3.520 8.207 226 HA LYS 23 HA LYS 23 2.597 4.256 10.968 227 1HB LYS 23 2HB LYS 23 3.022 5.499 8.492 228 2HB LYS 23 3HB LYS 23 1.368 5.877 8.856 229 1HG LYS 23 2HG LYS 23 2.969 7.597 9.737 230 2HG LYS 23 3HG LYS 23 1.993 6.871 10.995 231 1HD LYS 23 2HD LYS 23 4.547 7.149 11.417 232 2HD LYS 23 3HD LYS 23 3.789 5.643 11.885 233 1HE LYS 23 2HE LYS 23 6.027 5.467 10.623 234 2HE LYS 23 3HE LYS 23 4.721 4.470 10.018 235 1HZ LYS 23 1HZ LYS 23 4.434 6.812 8.640 236 2HZ LYS 23 2HZ LYS 23 6.108 6.618 8.753 237 3HZ LYS 23 3HZ LYS 23 5.174 5.388 8.041 238 QB LYS 23 QB LYS 23 2.195 5.688 8.674 239 QG LYS 23 QG LYS 23 2.481 7.234 10.366 240 QD LYS 23 QD LYS 23 4.168 6.396 11.651 241 QE LYS 23 QE LYS 23 5.374 4.969 10.321 242 QZ LYS 23 QZ LYS 23 5.239 6.273 8.478 243 H LEU 24 HN LEU 24 0.552 3.846 8.148 244 HA LEU 24 HA LEU 24 -1.973 4.211 9.352 245 1HB LEU 24 2HB LEU 24 -1.285 2.167 7.223 246 2HB LEU 24 3HB LEU 24 -2.853 2.919 7.474 247 HG LEU 24 HG LEU 24 -0.286 4.313 6.601 248 1HD1 LEU 24 2HD1 LEU 24 -2.859 3.659 5.151 249 2HD1 LEU 24 3HD1 LEU 24 -1.580 4.676 4.504 250 3HD1 LEU 24 1HD1 LEU 24 -1.272 2.978 4.837 251 1HD2 LEU 24 3HD2 LEU 24 -3.069 5.467 7.009 252 2HD2 LEU 24 1HD2 LEU 24 -1.644 5.824 7.990 253 3HD2 LEU 24 2HD2 LEU 24 -1.701 6.328 6.306 254 QB LEU 24 QB LEU 24 -2.069 2.543 7.348 255 QD1 LEU 24 QD1 LEU 24 -1.904 3.771 4.831 256 QD2 LEU 24 QD2 LEU 24 -2.138 5.873 7.102 257 QQD LEU 24 QQD LEU 24 -2.021 4.822 5.966 258 H SER 25 HN SER 25 -0.010 1.295 9.021 259 HA SER 25 HA SER 25 -1.684 -0.570 10.358 260 1HB SER 25 2HB SER 25 1.367 -0.463 10.403 261 2HB SER 25 3HB SER 25 0.361 -1.894 10.697 262 HG SER 25 HG SER 25 -0.530 -1.617 8.629 263 QB SER 25 QB SER 25 0.864 -1.179 10.550 264 H ASN 26 HN ASN 26 0.389 1.887 11.712 265 HA ASN 26 HA ASN 26 0.016 0.750 14.446 266 1HB ASN 26 2HB ASN 26 2.316 1.387 13.605 267 2HB ASN 26 3HB ASN 26 1.779 3.061 13.563 268 1HD2 ASN 26 2HD2 ASN 26 2.178 3.492 17.041 269 2HD2 ASN 26 1HD2 ASN 26 1.758 4.205 15.559 270 QB ASN 26 QB ASN 26 2.048 2.224 13.584 271 QD2 ASN 26 QD2 ASN 26 1.968 3.848 16.300 272 H GLU 27 HN GLU 27 -1.077 3.261 12.416 273 HA GLU 27 HA GLU 27 -1.926 5.021 14.621 274 1HB GLU 27 2HB GLU 27 -2.321 5.117 11.613 275 2HB GLU 27 3HB GLU 27 -3.037 6.291 12.698 276 1HG GLU 27 2HG GLU 27 -0.855 7.066 13.399 277 2HG GLU 27 3HG GLU 27 -0.055 5.746 12.545 278 QB GLU 27 QB GLU 27 -2.679 5.704 12.156 279 QG GLU 27 QG GLU 27 -0.455 6.406 12.972 280 NH1 ARG 28 NH2 ARG 28 -4.308 8.013 11.366 281 NH2 ARG 28 NH1 ARG 28 -3.197 7.105 9.606 282 H ARG 28 HN ARG 28 -3.417 2.960 12.164 283 HA ARG 28 HA ARG 28 -6.041 3.284 13.557 284 1HB ARG 28 2HB ARG 28 -5.342 2.335 10.754 285 2HB ARG 28 3HB ARG 28 -6.968 2.292 11.422 286 1HG ARG 28 2HG ARG 28 -7.072 4.365 10.400 287 2HG ARG 28 3HG ARG 28 -6.427 4.872 11.948 288 1HD ARG 28 2HD ARG 28 -4.103 4.676 10.943 289 2HD ARG 28 3HD ARG 28 -4.870 4.415 9.380 290 HE ARG 28 HE ARG 28 -6.098 6.703 10.014 291 1HH1 ARG 28 2HH2 ARG 28 -5.186 8.101 11.861 292 2HH1 ARG 28 1HH2 ARG 28 -3.520 8.597 11.607 293 1HH2 ARG 28 2HH1 ARG 28 -3.193 6.470 8.847 294 2HH2 ARG 28 1HH1 ARG 28 -2.405 7.715 9.749 295 QB ARG 28 QB ARG 28 -6.155 2.314 11.088 296 QG ARG 28 QG ARG 28 -6.749 4.618 11.174 297 QD ARG 28 QD ARG 28 -4.487 4.546 10.162 298 QH1 ARG 28 QH2 ARG 28 -4.353 8.349 11.734 299 QH2 ARG 28 QH1 ARG 28 -2.799 7.092 9.298 300 H ASP 29 HN ASP 29 -3.521 1.078 13.004 301 HA ASP 29 HA ASP 29 -3.144 -1.096 13.735 302 1HB ASP 29 2HB ASP 29 -5.737 -0.626 15.204 303 2HB ASP 29 3HB ASP 29 -4.848 -2.135 15.304 304 QB ASP 29 QB ASP 29 -5.293 -1.381 15.254 305 H ASP 30 HN ASP 30 -6.580 -0.784 12.794 306 HA ASP 30 HA ASP 30 -6.632 -3.463 11.654 307 1HB ASP 30 2HB ASP 30 -8.700 -2.500 12.535 308 2HB ASP 30 3HB ASP 30 -8.563 -1.126 11.439 309 QB ASP 30 QB ASP 30 -8.632 -1.813 11.987 310 H PHE 31 HN PHE 31 -4.503 -2.449 10.560 311 HA PHE 31 HA PHE 31 -5.228 -2.077 7.733 312 1HB PHE 31 2HB PHE 31 -5.058 0.218 8.592 313 2HB PHE 31 3HB PHE 31 -3.474 -0.126 9.268 314 HD1 PHE 31 2HD PHE 31 -5.355 0.406 6.128 315 HD2 PHE 31 1HD PHE 31 -1.521 -0.291 7.819 316 HE1 PHE 31 2HE PHE 31 -4.294 0.883 3.961 317 HE2 PHE 31 1HE PHE 31 -0.478 0.135 5.674 318 HZ PHE 31 HZ PHE 31 -1.855 0.751 3.729 319 QB PHE 31 QB PHE 31 -4.266 0.046 8.930 320 QR PHE 31 QR PHE 31 -2.912 0.283 5.895 321 H GLN 32 HN GLN 32 -4.427 -4.230 7.653 322 HA GLN 32 HA GLN 32 -1.534 -4.628 8.209 323 1HB GLN 32 2HB GLN 32 -3.766 -6.467 7.251 324 2HB GLN 32 3HB GLN 32 -2.091 -6.983 7.308 325 1HG GLN 32 2HG GLN 32 -3.406 -7.665 9.336 326 2HG GLN 32 3HG GLN 32 -2.009 -6.671 9.721 327 1HE2 GLN 32 2HE2 GLN 32 -3.953 -4.388 11.474 328 2HE2 GLN 32 1HE2 GLN 32 -2.520 -5.284 11.336 329 QB GLN 32 QB GLN 32 -2.928 -6.725 7.280 330 QG GLN 32 QG GLN 32 -2.708 -7.168 9.528 331 QE2 GLN 32 QE2 GLN 32 -3.236 -4.836 11.405 332 OH TYR 33 OH TYR 33 5.130 -2.566 7.371 333 H TYR 33 HN TYR 33 -0.041 -4.852 6.503 334 HA TYR 33 HA TYR 33 -1.145 -4.522 3.749 335 1HB TYR 33 2HB TYR 33 0.684 -2.981 3.193 336 2HB TYR 33 3HB TYR 33 -0.284 -2.336 4.509 337 HD1 TYR 33 HD1 TYR 33 0.600 -2.580 6.911 338 HD2 TYR 33 HD2 TYR 33 2.993 -3.429 3.495 339 HE1 TYR 33 HE1 TYR 33 2.623 -2.319 8.266 340 HE2 TYR 33 HE2 TYR 33 5.016 -3.212 4.853 341 HH TYR 33 HH TYR 33 4.914 -2.187 8.247 342 QB TYR 33 QB TYR 33 0.200 -2.659 3.851 343 QR TYR 33 QR TYR 33 2.808 -2.885 5.881 344 H GLN 34 HN GLN 34 0.063 -5.530 2.130 345 HA GLN 34 HA GLN 34 2.127 -7.466 3.140 346 1HB GLN 34 2HB GLN 34 0.044 -8.565 2.330 347 2HB GLN 34 3HB GLN 34 0.204 -7.738 0.786 348 1HG GLN 34 2HG GLN 34 2.395 -8.913 0.428 349 2HG GLN 34 3HG GLN 34 2.146 -9.777 1.942 350 1HE2 GLN 34 2HE2 GLN 34 0.748 -11.683 -1.091 351 2HE2 GLN 34 1HE2 GLN 34 2.195 -10.802 -0.961 352 QB GLN 34 QB GLN 34 0.124 -8.151 1.558 353 QG GLN 34 QG GLN 34 2.270 -9.345 1.185 354 QE2 GLN 34 QE2 GLN 34 1.471 -11.243 -1.026 355 OH TYR 35 OH TYR 35 9.226 -3.104 -2.735 356 H TYR 35 HN TYR 35 4.103 -7.464 2.123 357 HA TYR 35 HA TYR 35 4.469 -5.395 0.013 358 1HB TYR 35 2HB TYR 35 6.079 -5.517 2.025 359 2HB TYR 35 3HB TYR 35 6.687 -7.019 1.326 360 HD1 TYR 35 HD2 TYR 35 6.249 -3.372 0.690 361 HD2 TYR 35 HD1 TYR 35 8.127 -6.966 -0.630 362 HE1 TYR 35 HE2 TYR 35 7.519 -2.099 -0.976 363 HE2 TYR 35 HE1 TYR 35 9.413 -5.681 -2.269 364 HH TYR 35 HH TYR 35 8.799 -2.245 -2.828 365 QB TYR 35 QB TYR 35 6.383 -6.268 1.676 366 QR TYR 35 QR TYR 35 7.827 -4.529 -0.796 367 H VAL 36 HN VAL 36 4.240 -6.082 -1.963 368 HA VAL 36 HA VAL 36 4.890 -8.917 -2.608 369 HB VAL 36 HB VAL 36 2.727 -6.982 -3.427 370 1HG1 VAL 36 1HG1 VAL 36 3.668 -9.301 -5.175 371 2HG1 VAL 36 2HG1 VAL 36 2.196 -8.371 -5.410 372 3HG1 VAL 36 3HG1 VAL 36 3.764 -7.596 -5.605 373 1HG2 VAL 36 1HG2 VAL 36 2.840 -9.961 -2.861 374 2HG2 VAL 36 2HG2 VAL 36 2.330 -8.709 -1.736 375 3HG2 VAL 36 3HG2 VAL 36 1.372 -9.040 -3.173 376 QG1 VAL 36 QG1 VAL 36 3.209 -8.422 -5.396 377 QG2 VAL 36 QG2 VAL 36 2.181 -9.237 -2.590 378 QQG VAL 36 QQG VAL 36 2.695 -8.830 -3.993 379 H ASP 37 HN ASP 37 6.375 -9.273 -4.152 380 HA ASP 37 HA ASP 37 7.553 -6.919 -5.572 381 1HB ASP 37 2HB ASP 37 9.280 -7.780 -4.225 382 2HB ASP 37 3HB ASP 37 8.744 -9.442 -4.418 383 QB ASP 37 QB ASP 37 9.012 -8.611 -4.321 384 H ILE 38 HN ILE 38 7.483 -6.965 -7.741 385 HA ILE 38 HA ILE 38 5.900 -8.904 -9.077 386 HB ILE 38 HB ILE 38 6.655 -7.906 -11.192 387 1HG1 ILE 38 2HG1 ILE 38 8.477 -6.166 -9.516 388 2HG1 ILE 38 3HG1 ILE 38 9.042 -7.608 -10.339 389 1HG2 ILE 38 1HG2 ILE 38 4.902 -6.794 -9.813 390 2HG2 ILE 38 2HG2 ILE 38 6.147 -5.852 -8.998 391 3HG2 ILE 38 3HG2 ILE 38 5.848 -5.621 -10.719 392 1HD1 ILE 38 1HD1 ILE 38 8.239 -6.689 -12.508 393 2HD1 ILE 38 2HD1 ILE 38 7.687 -5.236 -11.677 394 3HD1 ILE 38 3HD1 ILE 38 9.403 -5.606 -11.749 395 QG1 ILE 38 QG1 ILE 38 8.759 -6.887 -9.927 396 QG2 ILE 38 QG2 ILE 38 5.633 -6.089 -9.843 397 QD1 ILE 38 QD1 ILE 38 8.443 -5.843 -11.978 398 NH1 ARG 39 NH1 ARG 39 12.448 -7.689 -7.423 399 NH2 ARG 39 NH2 ARG 39 13.184 -9.653 -6.597 400 H ARG 39 HN ARG 39 9.376 -8.918 -8.455 401 HA ARG 39 HA ARG 39 9.826 -11.029 -10.454 402 1HB ARG 39 2HB ARG 39 11.588 -10.316 -8.106 403 2HB ARG 39 3HB ARG 39 12.061 -11.247 -9.512 404 1HG ARG 39 2HG ARG 39 11.440 -9.180 -10.910 405 2HG ARG 39 3HG ARG 39 11.360 -8.300 -9.398 406 1HD ARG 39 2HD ARG 39 13.791 -9.827 -10.438 407 2HD ARG 39 3HD ARG 39 13.598 -8.085 -10.500 408 HE ARG 39 HE ARG 39 14.937 -8.888 -8.443 409 1HH1 ARG 39 2HH1 ARG 39 12.472 -6.979 -8.114 410 2HH1 ARG 39 1HH1 ARG 39 11.822 -7.604 -6.636 411 1HH2 ARG 39 2HH2 ARG 39 13.796 -10.438 -6.656 412 2HH2 ARG 39 1HH2 ARG 39 12.522 -9.568 -5.832 413 QB ARG 39 QB ARG 39 11.824 -10.782 -8.809 414 QG ARG 39 QG ARG 39 11.400 -8.740 -10.154 415 QD ARG 39 QD ARG 39 13.695 -8.956 -10.469 416 QH1 ARG 39 QH1 ARG 39 12.147 -7.291 -7.375 417 QH2 ARG 39 QH2 ARG 39 13.159 -10.003 -6.244 418 H ALA 40 HN ALA 40 9.197 -10.893 -6.992 419 HA ALA 40 HA ALA 40 9.757 -13.662 -6.467 420 1HB ALA 40 1HB ALA 40 9.583 -11.981 -4.663 421 2HB ALA 40 2HB ALA 40 7.870 -11.775 -5.013 422 3HB ALA 40 3HB ALA 40 8.461 -13.307 -4.383 423 QB ALA 40 QB ALA 40 8.638 -12.354 -4.686 424 H GLU 41 HN GLU 41 6.697 -11.974 -7.176 425 HA GLU 41 HA GLU 41 5.274 -14.562 -7.245 426 1HB GLU 41 2HB GLU 41 4.453 -11.680 -7.425 427 2HB GLU 41 3HB GLU 41 3.366 -12.881 -8.113 428 1HG GLU 41 2HG GLU 41 3.315 -14.102 -5.958 429 2HG GLU 41 3HG GLU 41 4.458 -12.961 -5.265 430 QB GLU 41 QB GLU 41 3.909 -12.280 -7.769 431 QG GLU 41 QG GLU 41 3.886 -13.531 -5.611 432 H GLY 42 HN GLY 42 6.508 -12.244 -9.622 433 1HA GLY 42 1HA GLY 42 7.168 -13.002 -11.847 434 2HA GLY 42 2HA GLY 42 5.980 -14.300 -11.732 435 QA GLY 42 QA GLY 42 6.574 -13.651 -11.789 436 H ILE 43 HN ILE 43 5.913 -10.797 -11.327 437 HA ILE 43 HA ILE 43 3.416 -10.731 -12.969 438 HB ILE 43 HB ILE 43 4.507 -8.692 -10.990 439 1HG1 ILE 43 2HG1 ILE 43 2.183 -10.629 -10.684 440 2HG1 ILE 43 3HG1 ILE 43 3.793 -10.979 -10.087 441 1HG2 ILE 43 1HG2 ILE 43 2.998 -7.703 -12.716 442 2HG2 ILE 43 2HG2 ILE 43 1.776 -8.911 -12.319 443 3HG2 ILE 43 3HG2 ILE 43 2.239 -7.700 -11.135 444 1HD1 ILE 43 1HD1 ILE 43 3.698 -8.945 -8.664 445 2HD1 ILE 43 2HD1 ILE 43 2.065 -8.634 -9.240 446 3HD1 ILE 43 3HD1 ILE 43 2.403 -10.072 -8.285 447 QG1 ILE 43 QG1 ILE 43 2.988 -10.804 -10.385 448 QG2 ILE 43 QG2 ILE 43 2.337 -8.105 -12.057 449 QD1 ILE 43 QD1 ILE 43 2.722 -9.217 -8.730 450 H THR 44 HN THR 44 3.120 -9.038 -14.475 451 HA THR 44 HA THR 44 5.673 -7.956 -15.601 452 HB THR 44 HB THR 44 4.474 -8.132 -17.837 453 HG1 THR 44 1HG THR 44 2.568 -9.720 -17.376 454 1HG2 THR 44 3HG2 THR 44 5.885 -10.062 -16.916 455 2HG2 THR 44 1HG2 THR 44 4.420 -10.728 -16.203 456 3HG2 THR 44 2HG2 THR 44 4.570 -10.606 -17.958 457 QG2 THR 44 QG2 THR 44 4.958 -10.465 -17.026 458 H LYS 45 HN LYS 45 5.441 -5.876 -16.783 459 HA LYS 45 HA LYS 45 4.047 -3.885 -15.300 460 1HB LYS 45 2HB LYS 45 5.878 -3.424 -17.025 461 2HB LYS 45 3HB LYS 45 4.676 -3.703 -18.281 462 1HG LYS 45 2HG LYS 45 3.240 -1.919 -17.113 463 2HG LYS 45 3HG LYS 45 4.640 -1.561 -16.125 464 1HD LYS 45 2HD LYS 45 4.619 0.020 -17.963 465 2HD LYS 45 3HD LYS 45 5.961 -1.088 -18.204 466 1HE LYS 45 2HE LYS 45 4.618 -0.629 -20.287 467 2HE LYS 45 3HE LYS 45 4.743 -2.330 -19.877 468 1HZ LYS 45 1HZ LYS 45 2.465 -1.333 -18.598 469 2HZ LYS 45 2HZ LYS 45 2.399 -0.777 -20.187 470 3HZ LYS 45 3HZ LYS 45 2.571 -2.445 -19.876 471 QB LYS 45 QB LYS 45 5.277 -3.563 -17.653 472 QG LYS 45 QG LYS 45 3.940 -1.740 -16.619 473 QD LYS 45 QD LYS 45 5.290 -0.534 -18.084 474 QE LYS 45 QE LYS 45 4.680 -1.480 -20.082 475 QZ LYS 45 QZ LYS 45 2.478 -1.518 -19.554 476 H GLU 46 HN GLU 46 3.248 -5.656 -18.204 477 HA GLU 46 HA GLU 46 0.766 -4.570 -18.877 478 1HB GLU 46 2HB GLU 46 1.812 -7.418 -18.999 479 2HB GLU 46 3HB GLU 46 0.274 -6.956 -19.712 480 1HG GLU 46 2HG GLU 46 2.290 -6.938 -21.307 481 2HG GLU 46 3HG GLU 46 1.327 -5.470 -21.279 482 QB GLU 46 QB GLU 46 1.043 -7.187 -19.356 483 QG GLU 46 QG GLU 46 1.809 -6.204 -21.293 484 H ASP 47 HN ASP 47 1.286 -7.414 -16.707 485 HA ASP 47 HA ASP 47 -1.341 -7.806 -15.860 486 1HB ASP 47 2HB ASP 47 0.535 -9.210 -15.070 487 2HB ASP 47 3HB ASP 47 1.130 -7.877 -14.087 488 QB ASP 47 QB ASP 47 0.833 -8.543 -14.579 489 H LEU 48 HN LEU 48 1.000 -5.601 -14.377 490 HA LEU 48 HA LEU 48 -0.812 -4.502 -12.444 491 1HB LEU 48 2HB LEU 48 1.710 -3.342 -13.676 492 2HB LEU 48 3HB LEU 48 0.916 -2.682 -12.256 493 HG LEU 48 HG LEU 48 1.835 -5.584 -12.427 494 1HD1 LEU 48 3HD1 LEU 48 3.798 -4.080 -12.649 495 2HD1 LEU 48 1HD1 LEU 48 3.294 -3.213 -11.202 496 3HD1 LEU 48 2HD1 LEU 48 3.796 -4.899 -11.092 497 1HD2 LEU 48 1HD2 LEU 48 1.135 -3.773 -10.082 498 2HD2 LEU 48 2HD2 LEU 48 0.116 -5.063 -10.705 499 3HD2 LEU 48 3HD2 LEU 48 1.660 -5.447 -9.958 500 QB LEU 48 QB LEU 48 1.313 -3.012 -12.966 501 QD1 LEU 48 QD1 LEU 48 3.629 -4.064 -11.648 502 QD2 LEU 48 QD2 LEU 48 0.970 -4.761 -10.248 503 QQD LEU 48 QQD LEU 48 2.300 -4.412 -10.948 504 H GLN 49 HN GLN 49 0.245 -3.214 -15.571 505 HA GLN 49 HA GLN 49 -1.313 -0.860 -15.570 506 1HB GLN 49 2HB GLN 49 0.456 -1.498 -17.249 507 2HB GLN 49 3HB GLN 49 -0.696 -2.610 -17.984 508 1HG GLN 49 2HG GLN 49 -2.252 -0.717 -18.384 509 2HG GLN 49 3HG GLN 49 -1.095 0.393 -17.655 510 1HE2 GLN 49 2HE2 GLN 49 -0.750 -0.360 -21.514 511 2HE2 GLN 49 1HE2 GLN 49 -2.163 -0.601 -20.608 512 QB GLN 49 QB GLN 49 -0.120 -2.054 -17.617 513 QG GLN 49 QG GLN 49 -1.674 -0.162 -18.019 514 QE2 GLN 49 QE2 GLN 49 -1.457 -0.481 -21.061 515 H GLN 50 HN GLN 50 -2.165 -4.172 -16.511 516 HA GLN 50 HA GLN 50 -4.891 -3.513 -17.277 517 1HB GLN 50 2HB GLN 50 -3.616 -6.193 -16.556 518 2HB GLN 50 3HB GLN 50 -5.244 -6.001 -17.193 519 1HG GLN 50 2HG GLN 50 -4.181 -4.825 -19.209 520 2HG GLN 50 3HG GLN 50 -2.624 -5.362 -18.594 521 1HE2 GLN 50 2HE2 GLN 50 -4.662 -8.775 -19.107 522 2HE2 GLN 50 1HE2 GLN 50 -4.838 -7.771 -17.749 523 QB GLN 50 QB GLN 50 -4.430 -6.097 -16.875 524 QG GLN 50 QG GLN 50 -3.403 -5.094 -18.901 525 QE2 GLN 50 QE2 GLN 50 -4.750 -8.273 -18.428 526 H LYS 51 HN LYS 51 -3.298 -4.618 -14.335 527 HA LYS 51 HA LYS 51 -5.607 -5.264 -12.826 528 1HB LYS 51 2HB LYS 51 -3.003 -5.544 -12.396 529 2HB LYS 51 3HB LYS 51 -3.157 -3.991 -11.608 530 1HG LYS 51 2HG LYS 51 -3.994 -4.977 -9.802 531 2HG LYS 51 3HG LYS 51 -5.331 -5.621 -10.730 532 1HD LYS 51 2HD LYS 51 -2.594 -6.937 -10.499 533 2HD LYS 51 3HD LYS 51 -3.997 -7.395 -9.543 534 1HE LYS 51 2HE LYS 51 -4.188 -8.918 -11.280 535 2HE LYS 51 3HE LYS 51 -5.158 -7.603 -11.918 536 1HZ LYS 51 2HZ LYS 51 -2.431 -7.218 -12.590 537 2HZ LYS 51 3HZ LYS 51 -2.897 -8.770 -13.035 538 3HZ LYS 51 1HZ LYS 51 -3.749 -7.424 -13.640 539 QB LYS 51 QB LYS 51 -3.080 -4.768 -12.002 540 QG LYS 51 QG LYS 51 -4.663 -5.299 -10.266 541 QD LYS 51 QD LYS 51 -3.295 -7.166 -10.021 542 QE LYS 51 QE LYS 51 -4.673 -8.261 -11.599 543 QZ LYS 51 QZ LYS 51 -3.026 -7.804 -13.088 544 H ALA 52 HN ALA 52 -3.897 -2.262 -13.404 545 HA ALA 52 HA ALA 52 -5.951 -0.718 -11.882 546 1HB ALA 52 1HB ALA 52 -3.201 0.056 -12.934 547 2HB ALA 52 2HB ALA 52 -4.281 1.154 -12.095 548 3HB ALA 52 3HB ALA 52 -3.628 -0.246 -11.256 549 QB ALA 52 QB ALA 52 -3.703 0.321 -12.095 550 H GLY 53 HN GLY 53 -4.022 0.584 -14.553 551 1HA GLY 53 1HA GLY 53 -4.908 0.607 -16.878 552 2HA GLY 53 2HA GLY 53 -6.526 0.649 -16.207 553 QA GLY 53 QA GLY 53 -5.717 0.628 -16.543 554 H LYS 54 HN LYS 54 -3.707 2.665 -15.326 555 HA LYS 54 HA LYS 54 -5.305 4.986 -16.323 556 1HB LYS 54 2HB LYS 54 -4.431 6.369 -14.496 557 2HB LYS 54 3HB LYS 54 -5.316 4.998 -13.858 558 1HG LYS 54 2HG LYS 54 -3.254 3.846 -13.285 559 2HG LYS 54 3HG LYS 54 -2.285 5.055 -14.109 560 1HD LYS 54 2HD LYS 54 -3.460 6.751 -12.470 561 2HD LYS 54 3HD LYS 54 -3.845 5.315 -11.530 562 1HE LYS 54 2HE LYS 54 -1.442 4.737 -11.400 563 2HE LYS 54 3HE LYS 54 -1.039 6.137 -12.382 564 1HZ LYS 54 1HZ LYS 54 -2.596 6.985 -10.157 565 2HZ LYS 54 2HZ LYS 54 -1.311 6.029 -9.591 566 3HZ LYS 54 3HZ LYS 54 -1.004 7.391 -10.545 567 QB LYS 54 QB LYS 54 -4.874 5.683 -14.177 568 QG LYS 54 QG LYS 54 -2.769 4.451 -13.697 569 QD LYS 54 QD LYS 54 -3.653 6.033 -12.000 570 QE LYS 54 QE LYS 54 -1.241 5.437 -11.891 571 QZ LYS 54 QZ LYS 54 -1.637 6.802 -10.098 572 HA PRO 55 HA PRO 55 -2.260 2.679 -17.558 573 1HB PRO 55 2HB PRO 55 -2.183 3.299 -20.431 574 2HB PRO 55 3HB PRO 55 -2.935 1.932 -19.605 575 1HG PRO 55 2HG PRO 55 -4.403 3.948 -20.770 576 2HG PRO 55 3HG PRO 55 -4.982 3.023 -19.378 577 1HD PRO 55 2HD PRO 55 -3.793 5.797 -19.428 578 2HD PRO 55 3HD PRO 55 -5.106 5.151 -18.421 579 QB PRO 55 QB PRO 55 -2.559 2.615 -20.018 580 QG PRO 55 QG PRO 55 -4.693 3.486 -20.074 581 QD PRO 55 QD PRO 55 -4.450 5.474 -18.924 582 H VAL 56 HN VAL 56 -0.919 5.080 -16.853 583 HA VAL 56 HA VAL 56 1.661 4.672 -18.254 584 HB VAL 56 HB VAL 56 2.041 7.157 -18.058 585 1HG1 VAL 56 1HG1 VAL 56 -0.350 6.275 -19.717 586 2HG1 VAL 56 2HG1 VAL 56 0.610 7.720 -20.018 587 3HG1 VAL 56 3HG1 VAL 56 1.336 6.128 -20.199 588 1HG2 VAL 56 3HG2 VAL 56 0.331 7.641 -16.325 589 2HG2 VAL 56 1HG2 VAL 56 0.081 8.627 -17.763 590 3HG2 VAL 56 2HG2 VAL 56 -0.940 7.222 -17.468 591 QG1 VAL 56 QG1 VAL 56 0.532 6.708 -19.978 592 QG2 VAL 56 QG2 VAL 56 -0.176 7.830 -17.185 593 QQG VAL 56 QQG VAL 56 0.178 7.269 -18.582 594 H GLU 57 HN GLU 57 0.656 3.529 -15.894 595 HA GLU 57 HA GLU 57 2.128 4.894 -13.716 596 1HB GLU 57 2HB GLU 57 0.824 3.412 -12.218 597 2HB GLU 57 3HB GLU 57 -0.229 4.308 -13.292 598 1HG GLU 57 2HG GLU 57 0.627 1.662 -14.334 599 2HG GLU 57 3HG GLU 57 -0.409 1.606 -12.917 600 QB GLU 57 QB GLU 57 0.298 3.860 -12.755 601 QG GLU 57 QG GLU 57 0.109 1.634 -13.625 602 H THR 58 HN THR 58 3.515 3.727 -12.383 603 HA THR 58 HA THR 58 4.699 1.236 -13.539 604 HB THR 58 HB THR 58 6.153 3.251 -13.988 605 HG1 THR 58 1HG THR 58 7.751 1.931 -13.588 606 1HG2 THR 58 1HG2 THR 58 6.352 3.381 -10.941 607 2HG2 THR 58 2HG2 THR 58 7.264 4.358 -12.080 608 3HG2 THR 58 3HG2 THR 58 5.527 4.582 -11.931 609 QG2 THR 58 QG2 THR 58 6.381 4.107 -11.651 610 H VAL 59 HN VAL 59 6.573 1.071 -11.314 611 HA VAL 59 HA VAL 59 4.631 0.227 -9.197 612 HB VAL 59 HB VAL 59 6.683 -1.168 -8.390 613 1HG1 VAL 59 2HG1 VAL 59 5.342 -1.771 -11.050 614 2HG1 VAL 59 3HG1 VAL 59 6.142 -2.959 -10.025 615 3HG1 VAL 59 1HG1 VAL 59 4.682 -2.150 -9.459 616 1HG2 VAL 59 2HG2 VAL 59 8.343 0.020 -9.810 617 2HG2 VAL 59 3HG2 VAL 59 8.310 -1.706 -10.146 618 3HG2 VAL 59 1HG2 VAL 59 7.524 -0.582 -11.246 619 QG1 VAL 59 QG1 VAL 59 5.389 -2.293 -10.178 620 QG2 VAL 59 QG2 VAL 59 8.059 -0.756 -10.401 621 QQG VAL 59 QQG VAL 59 6.724 -1.525 -10.289 622 HA PRO 60 HA PRO 60 5.157 -0.577 -7.058 623 1HB PRO 60 2HB PRO 60 4.194 0.199 -4.670 624 2HB PRO 60 3HB PRO 60 5.946 0.012 -4.909 625 1HG PRO 60 2HG PRO 60 4.285 2.557 -4.998 626 2HG PRO 60 3HG PRO 60 5.800 2.281 -4.139 627 1HD PRO 60 2HD PRO 60 5.643 3.474 -6.653 628 2HD PRO 60 3HD PRO 60 7.085 2.587 -6.106 629 QB PRO 60 QB PRO 60 5.070 0.106 -4.790 630 QG PRO 60 QG PRO 60 5.043 2.419 -4.568 631 QD PRO 60 QD PRO 60 6.364 3.030 -6.379 632 H GLN 61 HN GLN 61 3.020 -1.315 -7.222 633 HA GLN 61 HA GLN 61 0.997 0.808 -7.803 634 1HB GLN 61 2HB GLN 61 1.442 -1.917 -8.888 635 2HB GLN 61 3HB GLN 61 -0.219 -1.649 -8.400 636 1HG GLN 61 2HG GLN 61 1.374 -0.160 -10.488 637 2HG GLN 61 3HG GLN 61 -0.186 -0.960 -10.655 638 1HE2 GLN 61 2HE2 GLN 61 -0.177 2.914 -9.892 639 2HE2 GLN 61 1HE2 GLN 61 1.174 2.037 -10.462 640 QB GLN 61 QB GLN 61 0.611 -1.783 -8.644 641 QG GLN 61 QG GLN 61 0.594 -0.560 -10.572 642 QE2 GLN 61 QE2 GLN 61 0.498 2.475 -10.177 643 H ILE 62 HN ILE 62 -0.977 0.800 -6.709 644 HA ILE 62 HA ILE 62 -0.923 -0.978 -4.311 645 HB ILE 62 HB ILE 62 -1.567 1.978 -4.303 646 1HG1 ILE 62 2HG1 ILE 62 0.828 0.330 -3.398 647 2HG1 ILE 62 3HG1 ILE 62 0.809 1.543 -4.662 648 1HG2 ILE 62 2HG2 ILE 62 -1.390 -0.080 -2.061 649 2HG2 ILE 62 3HG2 ILE 62 -1.649 1.642 -1.826 650 3HG2 ILE 62 1HG2 ILE 62 -2.870 0.672 -2.630 651 1HD1 ILE 62 2HD1 ILE 62 0.264 3.275 -3.003 652 2HD1 ILE 62 3HD1 ILE 62 0.327 2.068 -1.719 653 3HD1 ILE 62 1HD1 ILE 62 1.782 2.465 -2.629 654 QG1 ILE 62 QG1 ILE 62 0.819 0.936 -4.030 655 QG2 ILE 62 QG2 ILE 62 -1.970 0.745 -2.172 656 QD1 ILE 62 QD1 ILE 62 0.791 2.603 -2.450 657 H PHE 63 HN PHE 63 -2.616 -1.705 -3.588 658 HA PHE 63 HA PHE 63 -5.300 -1.015 -4.683 659 1HB PHE 63 2HB PHE 63 -4.025 -3.772 -4.482 660 2HB PHE 63 3HB PHE 63 -5.752 -3.525 -4.718 661 HD1 PHE 63 2HD PHE 63 -2.451 -2.528 -6.230 662 HD2 PHE 63 1HD PHE 63 -6.574 -3.361 -6.907 663 HE1 PHE 63 2HE PHE 63 -2.135 -2.195 -8.644 664 HE2 PHE 63 1HE PHE 63 -6.224 -3.110 -9.323 665 HZ PHE 63 HZ PHE 63 -4.024 -2.452 -10.178 666 QB PHE 63 QB PHE 63 -4.888 -3.649 -4.600 667 QR PHE 63 QR PHE 63 -4.346 -2.799 -7.776 668 H VAL 64 HN VAL 64 -6.820 -0.957 -3.049 669 HA VAL 64 HA VAL 64 -5.901 -1.854 -0.333 670 HB VAL 64 HB VAL 64 -8.195 0.003 -1.109 671 1HG1 VAL 64 2HG1 VAL 64 -7.017 -0.722 1.601 672 2HG1 VAL 64 3HG1 VAL 64 -8.271 0.485 1.323 673 3HG1 VAL 64 1HG1 VAL 64 -8.604 -1.218 1.022 674 1HG2 VAL 64 1HG2 VAL 64 -5.829 0.859 -1.423 675 2HG2 VAL 64 2HG2 VAL 64 -6.749 1.771 -0.238 676 3HG2 VAL 64 3HG2 VAL 64 -5.550 0.585 0.279 677 QG1 VAL 64 QG1 VAL 64 -7.964 -0.485 1.315 678 QG2 VAL 64 QG2 VAL 64 -6.043 1.071 -0.461 679 QQG VAL 64 QQG VAL 64 -7.003 0.293 0.427 680 H ASP 65 HN ASP 65 -6.685 -3.669 0.393 681 HA ASP 65 HA ASP 65 -7.773 -5.697 0.469 682 1HB ASP 65 2HB ASP 65 -10.005 -3.674 0.299 683 2HB ASP 65 3HB ASP 65 -10.349 -5.397 0.456 684 QB ASP 65 QB ASP 65 -10.177 -4.535 0.377 685 H GLN 66 HN GLN 66 -10.000 -4.227 -1.839 686 HA GLN 66 HA GLN 66 -9.026 -6.173 -3.863 687 1HB GLN 66 2HB GLN 66 -11.951 -5.758 -3.161 688 2HB GLN 66 3HB GLN 66 -11.345 -6.795 -4.446 689 1HG GLN 66 2HG GLN 66 -9.974 -7.988 -2.588 690 2HG GLN 66 3HG GLN 66 -11.006 -7.133 -1.448 691 1HE2 GLN 66 2HE2 GLN 66 -12.408 -10.473 -3.026 692 2HE2 GLN 66 1HE2 GLN 66 -10.766 -10.058 -2.947 693 QB GLN 66 QB GLN 66 -11.648 -6.276 -3.803 694 QG GLN 66 QG GLN 66 -10.490 -7.561 -2.018 695 QE2 GLN 66 QE2 GLN 66 -11.587 -10.265 -2.987 696 H GLN 67 HN GLN 67 -9.547 -3.037 -3.247 697 HA GLN 67 HA GLN 67 -10.502 -2.355 -5.938 698 1HB GLN 67 2HB GLN 67 -11.646 -1.459 -3.905 699 2HB GLN 67 3HB GLN 67 -10.125 -0.741 -3.382 700 1HG GLN 67 2HG GLN 67 -10.059 0.565 -5.478 701 2HG GLN 67 3HG GLN 67 -11.607 -0.144 -5.923 702 1HE2 GLN 67 2HE2 GLN 67 -11.548 3.046 -3.543 703 2HE2 GLN 67 1HE2 GLN 67 -10.257 2.546 -4.527 704 QB GLN 67 QB GLN 67 -10.885 -1.100 -3.643 705 QG GLN 67 QG GLN 67 -10.833 0.211 -5.701 706 QE2 GLN 67 QE2 GLN 67 -10.902 2.796 -4.035 707 H HIS 68 HN HIS 68 -9.352 -0.726 -7.098 708 HA HIS 68 HA HIS 68 -6.409 -0.847 -6.700 709 1HB HIS 68 2HB HIS 68 -7.090 -1.303 -8.957 710 2HB HIS 68 3HB HIS 68 -8.234 0.001 -8.954 711 HD1 HIS 68 HD1 HIS 68 -7.490 1.817 -10.259 712 HD2 HIS 68 HD2 HIS 68 -4.226 0.032 -8.499 713 HE1 HIS 68 HE1 HIS 68 -5.484 3.175 -10.946 714 QB HIS 68 QB HIS 68 -7.662 -0.651 -8.955 715 H ILE 69 HN ILE 69 -5.182 1.130 -6.430 716 HA ILE 69 HA ILE 69 -6.966 3.458 -5.773 717 HB ILE 69 HB ILE 69 -4.238 3.219 -4.542 718 1HG1 ILE 69 2HG1 ILE 69 -5.410 0.985 -4.256 719 2HG1 ILE 69 3HG1 ILE 69 -5.076 1.838 -2.770 720 1HG2 ILE 69 3HG2 ILE 69 -6.961 4.269 -3.649 721 2HG2 ILE 69 1HG2 ILE 69 -5.509 4.310 -2.654 722 3HG2 ILE 69 2HG2 ILE 69 -5.586 5.246 -4.145 723 1HD1 ILE 69 2HD1 ILE 69 -7.748 2.001 -4.216 724 2HD1 ILE 69 3HD1 ILE 69 -7.434 0.880 -2.906 725 3HD1 ILE 69 1HD1 ILE 69 -7.389 2.611 -2.608 726 QG1 ILE 69 QG1 ILE 69 -5.243 1.412 -3.513 727 QG2 ILE 69 QG2 ILE 69 -6.019 4.608 -3.482 728 QD1 ILE 69 QD1 ILE 69 -7.524 1.831 -3.243 729 H GLY 70 HN GLY 70 -3.881 2.494 -7.193 730 1HA GLY 70 1HA GLY 70 -3.618 3.873 -9.405 731 2HA GLY 70 2HA GLY 70 -3.658 5.260 -8.337 732 QA GLY 70 QA GLY 70 -3.638 4.567 -8.871 733 H GLY 71 HN GLY 71 -2.085 3.745 -6.281 734 1HA GLY 71 1HA GLY 71 0.278 2.667 -6.557 735 2HA GLY 71 2HA GLY 71 0.595 4.067 -7.585 736 QA GLY 71 QA GLY 71 0.436 3.367 -7.071 737 OH TYR 72 OH TYR 72 4.231 9.753 0.019 738 H TYR 72 HN TYR 72 2.311 4.194 -5.687 739 HA TYR 72 HA TYR 72 1.614 4.945 -3.082 740 1HB TYR 72 2HB TYR 72 3.956 4.722 -3.558 741 2HB TYR 72 3HB TYR 72 3.889 5.968 -4.803 742 HD1 TYR 72 HD2 TYR 72 2.920 5.595 -1.184 743 HD2 TYR 72 HD1 TYR 72 4.664 8.086 -4.160 744 HE1 TYR 72 HE2 TYR 72 3.212 7.376 0.483 745 HE2 TYR 72 HE1 TYR 72 4.912 9.877 -2.509 746 HH TYR 72 HH TYR 72 5.140 10.063 -0.024 747 QB TYR 72 QB TYR 72 3.923 5.345 -4.180 748 QR TYR 72 QR TYR 72 3.927 7.734 -1.842 749 H THR 73 HN THR 73 2.224 7.291 -5.720 750 HA THR 73 HA THR 73 1.495 9.598 -4.319 751 HB THR 73 HB THR 73 0.729 10.281 -6.844 752 HG1 THR 73 1HG THR 73 0.589 8.161 -7.602 753 1HG2 THR 73 3HG2 THR 73 3.564 9.326 -6.206 754 2HG2 THR 73 1HG2 THR 73 3.118 10.472 -7.465 755 3HG2 THR 73 2HG2 THR 73 2.943 10.915 -5.769 756 QG2 THR 73 QG2 THR 73 3.208 10.238 -6.480 757 H ASP 74 HN ASP 74 -0.709 7.442 -6.112 758 HA ASP 74 HA ASP 74 -3.020 9.125 -5.537 759 1HB ASP 74 2HB ASP 74 -3.065 6.199 -6.338 760 2HB ASP 74 3HB ASP 74 -4.290 7.419 -6.658 761 QB ASP 74 QB ASP 74 -3.677 6.809 -6.498 762 H PHE 75 HN PHE 75 -1.930 5.962 -4.359 763 HA PHE 75 HA PHE 75 -3.906 5.502 -2.411 764 1HB PHE 75 2HB PHE 75 -2.199 3.818 -2.995 765 2HB PHE 75 3HB PHE 75 -0.932 4.856 -2.362 766 HD1 PHE 75 2HD PHE 75 -4.078 3.127 -1.279 767 HD2 PHE 75 1HD PHE 75 -0.266 4.634 -0.127 768 HE1 PHE 75 2HE PHE 75 -4.302 2.044 0.914 769 HE2 PHE 75 1HE PHE 75 -0.490 3.540 2.052 770 HZ PHE 75 HZ PHE 75 -2.523 2.261 2.574 771 QB PHE 75 QB PHE 75 -1.566 4.337 -2.678 772 QR PHE 75 QR PHE 75 -2.284 3.336 0.390 773 H ALA 76 HN ALA 76 -0.912 7.365 -2.239 774 HA ALA 76 HA ALA 76 -0.967 8.169 0.445 775 1HB ALA 76 2HB ALA 76 0.867 8.711 -1.166 776 2HB ALA 76 3HB ALA 76 -0.197 9.829 -2.001 777 3HB ALA 76 1HB ALA 76 0.308 10.165 -0.354 778 QB ALA 76 QB ALA 76 0.326 9.568 -1.173 779 H ALA 77 HN ALA 77 -2.276 10.015 -2.311 780 HA ALA 77 HA ALA 77 -3.690 11.945 -0.817 781 1HB ALA 77 3HB ALA 77 -3.366 12.053 -3.275 782 2HB ALA 77 1HB ALA 77 -4.497 10.721 -3.481 783 3HB ALA 77 2HB ALA 77 -5.063 12.266 -2.852 784 QB ALA 77 QB ALA 77 -4.309 11.680 -3.203 785 CH2 TRP 78 CH2 TRP 78 -8.717 3.627 1.915 786 H TRP 78 HN TRP 78 -5.032 8.913 -2.156 787 HA TRP 78 HA TRP 78 -7.647 9.187 -1.011 788 1HB TRP 78 2HB TRP 78 -7.015 7.405 -2.651 789 2HB TRP 78 3HB TRP 78 -5.966 6.677 -1.479 790 HD1 TRP 78 HD1 TRP 78 -9.617 6.745 -2.556 791 HE1 TRP 78 HE1 TRP 78 -10.989 5.230 -1.135 792 HE3 TRP 78 HE3 TRP 78 -6.090 5.435 0.738 793 HZ2 TRP 78 HZ2 TRP 78 -10.683 3.588 1.073 794 HZ3 TRP 78 HZ3 TRP 78 -6.681 3.843 2.539 795 HH2 TRP 78 HH2 TRP 78 -8.955 2.915 2.693 796 QB TRP 78 QB TRP 78 -6.491 7.041 -2.065 797 H VAL 79 HN VAL 79 -4.841 7.480 0.292 798 HA VAL 79 HA VAL 79 -5.816 6.585 2.737 799 HB VAL 79 HB VAL 79 -3.150 7.536 1.737 800 1HG1 VAL 79 1HG1 VAL 79 -3.729 7.102 4.688 801 2HG1 VAL 79 2HG1 VAL 79 -2.116 7.166 3.992 802 3HG1 VAL 79 3HG1 VAL 79 -3.141 8.583 3.948 803 1HG2 VAL 79 2HG2 VAL 79 -4.100 5.024 3.140 804 2HG2 VAL 79 3HG2 VAL 79 -3.847 5.215 1.408 805 3HG2 VAL 79 1HG2 VAL 79 -2.478 5.282 2.512 806 QG1 VAL 79 QG1 VAL 79 -2.995 7.617 4.209 807 QG2 VAL 79 QG2 VAL 79 -3.475 5.173 2.353 808 QQG VAL 79 QQG VAL 79 -3.235 6.395 3.281 809 H LYS 80 HN LYS 80 -4.097 9.570 2.169 810 HA LYS 80 HA LYS 80 -4.203 10.881 4.494 811 1HB LYS 80 2HB LYS 80 -3.197 11.895 2.597 812 2HB LYS 80 3HB LYS 80 -4.690 11.837 1.686 813 1HG LYS 80 2HG LYS 80 -4.299 14.081 2.413 814 2HG LYS 80 3HG LYS 80 -5.712 13.433 3.211 815 1HD LYS 80 2HD LYS 80 -4.040 12.834 5.146 816 2HD LYS 80 3HD LYS 80 -2.989 14.010 4.373 817 1HE LYS 80 2HE LYS 80 -4.204 15.284 5.962 818 2HE LYS 80 3HE LYS 80 -5.020 15.616 4.439 819 1HZ LYS 80 1HZ LYS 80 -6.141 13.319 5.688 820 2HZ LYS 80 2HZ LYS 80 -6.121 14.587 6.778 821 3HZ LYS 80 3HZ LYS 80 -6.906 14.781 5.266 822 QB LYS 80 QB LYS 80 -3.944 11.866 2.141 823 QG LYS 80 QG LYS 80 -5.006 13.757 2.812 824 QD LYS 80 QD LYS 80 -3.514 13.422 4.759 825 QE LYS 80 QE LYS 80 -4.612 15.450 5.200 826 QZ LYS 80 QZ LYS 80 -6.389 14.229 5.910 827 H GLU 81 HN GLU 81 -7.002 10.906 2.254 828 HA GLU 81 HA GLU 81 -8.568 12.082 4.484 829 1HB GLU 81 2HB GLU 81 -8.275 12.717 1.773 830 2HB GLU 81 3HB GLU 81 -9.796 11.833 1.788 831 1HG GLU 81 2HG GLU 81 -10.153 14.262 2.161 832 2HG GLU 81 3HG GLU 81 -10.679 13.313 3.541 833 QB GLU 81 QB GLU 81 -9.035 12.275 1.780 834 QG GLU 81 QG GLU 81 -10.416 13.787 2.851 835 H ASN 82 HN ASN 82 -8.062 9.099 4.043 836 HA ASN 82 HA ASN 82 -10.900 8.539 4.514 837 1HB ASN 82 2HB ASN 82 -9.070 6.957 2.667 838 2HB ASN 82 3HB ASN 82 -10.525 6.232 3.347 839 1HD2 ASN 82 2HD2 ASN 82 -10.848 9.105 0.468 840 2HD2 ASN 82 1HD2 ASN 82 -9.355 8.767 1.204 841 QB ASN 82 QB ASN 82 -9.797 6.595 3.007 842 QD2 ASN 82 QD2 ASN 82 -10.101 8.936 0.836 843 H LEU 83 HN LEU 83 -7.652 7.862 5.211 844 HA LEU 83 HA LEU 83 -8.572 5.972 7.309 845 1HB LEU 83 2HB LEU 83 -5.750 6.712 6.463 846 2HB LEU 83 3HB LEU 83 -6.193 5.434 7.585 847 HG LEU 83 HG LEU 83 -6.829 5.544 4.613 848 1HD1 LEU 83 2HD1 LEU 83 -4.533 4.882 5.223 849 2HD1 LEU 83 3HD1 LEU 83 -5.162 3.658 6.316 850 3HD1 LEU 83 1HD1 LEU 83 -5.421 3.503 4.583 851 1HD2 LEU 83 2HD2 LEU 83 -7.654 3.487 6.712 852 2HD2 LEU 83 3HD2 LEU 83 -8.744 4.562 5.843 853 3HD2 LEU 83 1HD2 LEU 83 -7.877 3.303 4.975 854 QB LEU 83 QB LEU 83 -5.972 6.073 7.024 855 QD1 LEU 83 QD1 LEU 83 -5.039 4.014 5.374 856 QD2 LEU 83 QD2 LEU 83 -8.092 3.784 5.843 857 QQD LEU 83 QQD LEU 83 -6.565 3.899 5.609 858 H ASP 84 HN ASP 84 -9.324 8.668 7.532 859 HA ASP 84 HA ASP 84 -9.302 10.411 9.053 860 1HB ASP 84 2HB ASP 84 -8.858 9.715 11.416 861 2HB ASP 84 3HB ASP 84 -10.024 8.698 10.607 862 QB ASP 84 QB ASP 84 -9.441 9.207 11.012 863 H ALA 85 HN ALA 85 -7.134 10.232 7.379 864 HA ALA 85 HA ALA 85 -4.850 11.024 9.205 865 1HB ALA 85 3HB ALA 85 -4.852 10.218 6.286 866 2HB ALA 85 1HB ALA 85 -3.416 10.670 7.194 867 3HB ALA 85 2HB ALA 85 -4.320 9.222 7.630 868 QB ALA 85 QB ALA 85 -4.196 10.037 7.037 Start of MODEL 4 Raw file had 868 H/Q atoms Start of MODEL 4 1 H MET 1 HN MET 1 -8.530 -2.779 6.781 2 HA MET 1 HA MET 1 -8.919 -4.892 4.973 3 1HB MET 1 2HB MET 1 -7.728 -2.118 4.602 4 2HB MET 1 3HB MET 1 -8.148 -3.186 3.277 5 1HG MET 1 2HG MET 1 -10.485 -3.244 4.048 6 2HG MET 1 3HG MET 1 -10.086 -2.182 5.378 7 1HE MET 1 3HE MET 1 -9.529 0.174 5.285 8 2HE MET 1 1HE MET 1 -8.225 0.017 4.099 9 3HE MET 1 2HE MET 1 -9.503 1.204 3.863 10 QB MET 1 QB MET 1 -7.938 -2.652 3.939 11 QG MET 1 QG MET 1 -10.285 -2.713 4.713 12 QE MET 1 QE MET 1 -9.086 0.465 4.416 13 H GLN 2 HN GLN 2 -7.383 -5.349 3.178 14 HA GLN 2 HA GLN 2 -4.626 -5.854 4.260 15 1HB GLN 2 2HB GLN 2 -6.475 -7.386 2.450 16 2HB GLN 2 3HB GLN 2 -4.747 -7.519 2.154 17 1HG GLN 2 2HG GLN 2 -5.691 -7.830 4.987 18 2HG GLN 2 3HG GLN 2 -5.994 -9.155 3.871 19 1HE2 GLN 2 2HE2 GLN 2 -2.670 -10.269 4.005 20 2HE2 GLN 2 1HE2 GLN 2 -4.293 -10.588 3.627 21 QB GLN 2 QB GLN 2 -5.611 -7.452 2.302 22 QG GLN 2 QG GLN 2 -5.842 -8.493 4.429 23 QE2 GLN 2 QE2 GLN 2 -3.482 -10.429 3.816 24 H THR 3 HN THR 3 -3.457 -4.118 3.540 25 HA THR 3 HA THR 3 -3.975 -3.119 0.802 26 HB THR 3 HB THR 3 -2.086 -2.023 2.944 27 HG1 THR 3 1HG THR 3 -3.946 -1.411 3.771 28 1HG2 THR 3 3HG2 THR 3 -3.415 -0.741 0.502 29 2HG2 THR 3 1HG2 THR 3 -2.336 0.069 1.627 30 3HG2 THR 3 2HG2 THR 3 -1.717 -1.186 0.562 31 QG2 THR 3 QG2 THR 3 -2.490 -0.619 0.897 32 H VAL 4 HN VAL 4 -2.560 -3.283 -0.829 33 HA VAL 4 HA VAL 4 -0.098 -4.966 -0.420 34 HB VAL 4 HB VAL 4 -1.881 -4.955 -2.876 35 1HG1 VAL 4 3HG1 VAL 4 0.396 -6.733 -1.935 36 2HG1 VAL 4 1HG1 VAL 4 -0.542 -6.995 -3.401 37 3HG1 VAL 4 2HG1 VAL 4 0.476 -5.566 -3.254 38 1HG2 VAL 4 2HG2 VAL 4 -1.744 -7.001 -0.628 39 2HG2 VAL 4 3HG2 VAL 4 -3.120 -5.956 -0.972 40 3HG2 VAL 4 1HG2 VAL 4 -2.644 -7.197 -2.129 41 QG1 VAL 4 QG1 VAL 4 0.110 -6.431 -2.863 42 QG2 VAL 4 QG2 VAL 4 -2.503 -6.718 -1.243 43 QQG VAL 4 QQG VAL 4 -1.196 -6.575 -2.053 44 H ILE 5 HN ILE 5 1.686 -4.276 -1.274 45 HA ILE 5 HA ILE 5 1.658 -1.820 -2.999 46 HB ILE 5 HB ILE 5 3.935 -2.777 -1.234 47 1HG1 ILE 5 2HG1 ILE 5 1.940 -2.323 0.203 48 2HG1 ILE 5 3HG1 ILE 5 3.273 -1.229 0.509 49 1HG2 ILE 5 3HG2 ILE 5 3.298 -0.104 -2.520 50 2HG2 ILE 5 1HG2 ILE 5 4.678 -0.421 -1.476 51 3HG2 ILE 5 2HG2 ILE 5 4.541 -1.242 -3.028 52 1HD1 ILE 5 3HD1 ILE 5 2.175 0.506 -0.877 53 2HD1 ILE 5 1HD1 ILE 5 0.832 -0.594 -1.178 54 3HD1 ILE 5 2HD1 ILE 5 1.140 0.000 0.450 55 QG1 ILE 5 QG1 ILE 5 2.607 -1.776 0.356 56 QG2 ILE 5 QG2 ILE 5 4.172 -0.589 -2.341 57 QD1 ILE 5 QD1 ILE 5 1.382 -0.030 -0.535 58 H PHE 6 HN PHE 6 2.057 -2.514 -5.086 59 HA PHE 6 HA PHE 6 3.777 -4.903 -5.524 60 1HB PHE 6 2HB PHE 6 2.232 -3.166 -7.506 61 2HB PHE 6 3HB PHE 6 3.044 -4.677 -7.892 62 HD1 PHE 6 2HD PHE 6 0.365 -3.265 -5.695 63 HD2 PHE 6 1HD PHE 6 1.853 -6.734 -7.671 64 HE1 PHE 6 2HE PHE 6 -1.638 -4.510 -5.025 65 HE2 PHE 6 1HE PHE 6 -0.179 -7.957 -7.029 66 HZ PHE 6 HZ PHE 6 -1.925 -6.855 -5.713 67 QB PHE 6 QB PHE 6 2.638 -3.922 -7.699 68 QR PHE 6 QR PHE 6 0.100 -5.617 -6.355 69 H GLY 7 HN GLY 7 5.811 -4.064 -4.972 70 1HA GLY 7 1HA GLY 7 6.809 -1.817 -6.710 71 2HA GLY 7 2HA GLY 7 7.325 -2.021 -5.042 72 QA GLY 7 QA GLY 7 7.067 -1.919 -5.876 73 NH1 ARG 8 NH1 ARG 8 10.500 -7.663 -8.679 74 NH2 ARG 8 NH2 ARG 8 12.515 -8.209 -7.764 75 H ARG 8 HN ARG 8 9.535 -2.056 -6.023 76 HA ARG 8 HA ARG 8 10.149 -4.796 -7.055 77 1HB ARG 8 2HB ARG 8 10.478 -2.455 -8.496 78 2HB ARG 8 3HB ARG 8 12.086 -2.698 -7.829 79 1HG ARG 8 2HG ARG 8 10.516 -4.842 -9.292 80 2HG ARG 8 3HG ARG 8 11.746 -3.837 -10.046 81 1HD ARG 8 2HD ARG 8 13.492 -4.827 -8.828 82 2HD ARG 8 3HD ARG 8 12.431 -5.340 -7.523 83 HE ARG 8 HE ARG 8 12.688 -6.720 -10.153 84 1HH1 ARG 8 2HH1 ARG 8 9.994 -7.091 -9.322 85 2HH1 ARG 8 1HH1 ARG 8 10.006 -8.330 -8.096 86 1HH2 ARG 8 2HH2 ARG 8 13.493 -8.028 -7.692 87 2HH2 ARG 8 1HH2 ARG 8 12.095 -8.922 -7.192 88 QB ARG 8 QB ARG 8 11.282 -2.577 -8.162 89 QG ARG 8 QG ARG 8 11.131 -4.339 -9.669 90 QD ARG 8 QD ARG 8 12.961 -5.084 -8.176 91 QH1 ARG 8 QH1 ARG 8 10.000 -7.710 -8.709 92 QH2 ARG 8 QH2 ARG 8 12.794 -8.475 -7.442 93 H SER 9 HN SER 9 10.310 -5.171 -4.791 94 HA SER 9 HA SER 9 11.397 -5.303 -2.705 95 1HB SER 9 2HB SER 9 13.707 -6.452 -3.201 96 2HB SER 9 3HB SER 9 12.226 -7.223 -3.798 97 HG SER 9 HG SER 9 12.526 -6.355 -5.765 98 QB SER 9 QB SER 9 12.966 -6.837 -3.499 99 H GLY 10 HN GLY 10 14.242 -4.350 -4.587 100 1HA GLY 10 1HA GLY 10 14.966 -2.552 -2.309 101 2HA GLY 10 2HA GLY 10 16.120 -3.268 -3.416 102 QA GLY 10 QA GLY 10 15.543 -2.910 -2.862 103 H CYS 11 HN CYS 11 13.152 -1.462 -4.115 104 HA CYS 11 HA CYS 11 14.865 0.560 -5.490 105 1HB CYS 11 2HB CYS 11 12.618 1.051 -6.708 106 2HB CYS 11 3HB CYS 11 13.602 -0.300 -7.202 107 QB CYS 11 QB CYS 11 13.110 0.376 -6.955 108 HA PRO 12 HA PRO 12 13.841 2.861 -1.895 109 1HB PRO 12 2HB PRO 12 14.305 5.423 -3.031 110 2HB PRO 12 3HB PRO 12 15.483 4.420 -2.181 111 1HG PRO 12 2HG PRO 12 15.099 4.798 -5.128 112 2HG PRO 12 3HG PRO 12 16.578 4.419 -4.236 113 1HD PRO 12 2HD PRO 12 15.206 2.551 -5.714 114 2HD PRO 12 3HD PRO 12 16.157 2.115 -4.277 115 QB PRO 12 QB PRO 12 14.894 4.921 -2.606 116 QG PRO 12 QG PRO 12 15.839 4.608 -4.682 117 QD PRO 12 QD PRO 12 15.682 2.333 -4.996 118 OH TYR 13 OH TYR 13 6.007 8.903 -6.394 119 H TYR 13 HN TYR 13 12.687 4.432 -4.887 120 HA TYR 13 HA TYR 13 10.478 5.781 -3.769 121 1HB TYR 13 2HB TYR 13 11.363 5.868 -6.212 122 2HB TYR 13 3HB TYR 13 10.318 4.483 -6.507 123 HD1 TYR 13 HD2 TYR 13 9.971 7.696 -4.575 124 HD2 TYR 13 HD1 TYR 13 8.280 5.145 -7.536 125 HE1 TYR 13 HE2 TYR 13 8.076 9.217 -4.795 126 HE2 TYR 13 HE1 TYR 13 6.380 6.679 -7.755 127 HH TYR 13 HH TYR 13 6.231 9.730 -5.959 128 QB TYR 13 QB TYR 13 10.840 5.175 -6.359 129 QR TYR 13 QR TYR 13 8.177 7.184 -6.166 130 H CYS 14 HN CYS 14 10.714 2.410 -4.840 131 HA CYS 14 HA CYS 14 7.935 1.776 -4.531 132 1HB CYS 14 2HB CYS 14 10.208 -0.123 -4.013 133 2HB CYS 14 3HB CYS 14 8.588 -0.508 -4.515 134 QB CYS 14 QB CYS 14 9.398 -0.315 -4.264 135 H VAL 15 HN VAL 15 10.672 1.273 -2.388 136 HA VAL 15 HA VAL 15 9.326 0.172 -0.181 137 HB VAL 15 HB VAL 15 11.767 1.971 -0.177 138 1HG1 VAL 15 3HG1 VAL 15 10.745 -0.016 1.901 139 2HG1 VAL 15 1HG1 VAL 15 12.264 0.864 1.989 140 3HG1 VAL 15 2HG1 VAL 15 10.740 1.732 2.092 141 1HG2 VAL 15 2HG2 VAL 15 11.414 -1.054 -0.256 142 2HG2 VAL 15 3HG2 VAL 15 11.942 -0.053 -1.603 143 3HG2 VAL 15 1HG2 VAL 15 12.958 -0.210 -0.174 144 QG1 VAL 15 QG1 VAL 15 11.250 0.860 1.994 145 QG2 VAL 15 QG2 VAL 15 12.104 -0.439 -0.678 146 QQG VAL 15 QQG VAL 15 11.677 0.211 0.658 147 NH1 ARG 16 NH1 ARG 16 7.103 6.871 2.698 148 NH2 ARG 16 NH2 ARG 16 9.082 6.922 3.792 149 H ARG 16 HN ARG 16 9.857 3.616 -0.915 150 HA ARG 16 HA ARG 16 8.903 4.827 1.385 151 1HB ARG 16 2HB ARG 16 8.300 5.552 -1.489 152 2HB ARG 16 3HB ARG 16 7.721 6.537 -0.156 153 1HG ARG 16 2HG ARG 16 10.628 5.847 -0.715 154 2HG ARG 16 3HG ARG 16 9.870 7.405 -1.009 155 1HD ARG 16 2HD ARG 16 10.401 6.069 1.667 156 2HD ARG 16 3HD ARG 16 10.994 7.623 1.098 157 HE ARG 16 HE ARG 16 8.625 8.472 1.273 158 1HH1 ARG 16 2HH1 ARG 16 6.568 7.044 1.864 159 2HH1 ARG 16 1HH1 ARG 16 6.658 6.476 3.514 160 1HH2 ARG 16 2HH2 ARG 16 10.058 7.119 3.786 161 2HH2 ARG 16 1HH2 ARG 16 8.648 6.563 4.626 162 QB ARG 16 QB ARG 16 8.010 6.045 -0.822 163 QG ARG 16 QG ARG 16 10.249 6.626 -0.862 164 QD ARG 16 QD ARG 16 10.697 6.846 1.382 165 QH1 ARG 16 QH1 ARG 16 6.613 6.760 2.689 166 QH2 ARG 16 QH2 ARG 16 9.353 6.841 4.206 167 H ALA 17 HN ALA 17 6.869 3.298 -1.056 168 HA ALA 17 HA ALA 17 4.362 4.002 0.208 169 1HB ALA 17 1HB ALA 17 5.082 1.684 -1.620 170 2HB ALA 17 2HB ALA 17 3.442 2.204 -1.241 171 3HB ALA 17 3HB ALA 17 4.515 3.266 -2.145 172 QB ALA 17 QB ALA 17 4.346 2.385 -1.669 173 H LYS 18 HN LYS 18 6.559 1.235 0.449 174 HA LYS 18 HA LYS 18 4.884 -0.329 2.195 175 1HB LYS 18 2HB LYS 18 6.656 -1.480 1.101 176 2HB LYS 18 3HB LYS 18 7.850 -0.286 1.597 177 1HG LYS 18 2HG LYS 18 6.375 -1.680 3.783 178 2HG LYS 18 3HG LYS 18 7.546 -2.638 2.893 179 1HD LYS 18 2HD LYS 18 9.314 -1.081 3.370 180 2HD LYS 18 3HD LYS 18 8.205 0.094 4.039 181 1HE LYS 18 2HE LYS 18 8.589 -2.678 5.209 182 2HE LYS 18 3HE LYS 18 9.406 -1.234 5.805 183 1HZ LYS 18 3HZ LYS 18 6.659 -0.670 5.541 184 2HZ LYS 18 1HZ LYS 18 6.812 -2.113 6.419 185 3HZ LYS 18 2HZ LYS 18 7.612 -0.717 6.957 186 QB LYS 18 QB LYS 18 7.253 -0.883 1.349 187 QG LYS 18 QG LYS 18 6.960 -2.159 3.338 188 QD LYS 18 QD LYS 18 8.760 -0.493 3.704 189 QE LYS 18 QE LYS 18 8.998 -1.956 5.507 190 QZ LYS 18 QZ LYS 18 7.027 -1.167 6.306 191 H ASP 19 HN ASP 19 7.358 2.101 2.699 192 HA ASP 19 HA ASP 19 7.428 2.050 5.550 193 1HB ASP 19 2HB ASP 19 9.089 3.475 4.610 194 2HB ASP 19 3HB ASP 19 7.931 4.264 3.542 195 QB ASP 19 QB ASP 19 8.510 3.869 4.076 196 H LEU 20 HN LEU 20 5.629 4.193 3.351 197 HA LEU 20 HA LEU 20 4.014 5.438 5.234 198 1HB LEU 20 2HB LEU 20 3.968 6.026 2.838 199 2HB LEU 20 3HB LEU 20 3.193 4.495 2.462 200 HG LEU 20 HG LEU 20 1.189 5.126 3.689 201 1HD1 LEU 20 2HD1 LEU 20 2.715 7.644 4.476 202 2HD1 LEU 20 3HD1 LEU 20 1.006 7.353 4.789 203 3HD1 LEU 20 1HD1 LEU 20 2.220 6.354 5.572 204 1HD2 LEU 20 2HD2 LEU 20 2.202 7.446 2.002 205 2HD2 LEU 20 3HD2 LEU 20 1.397 6.008 1.390 206 3HD2 LEU 20 1HD2 LEU 20 0.515 7.142 2.404 207 QB LEU 20 QB LEU 20 3.580 5.260 2.650 208 QD1 LEU 20 QD1 LEU 20 1.981 7.117 4.946 209 QD2 LEU 20 QD2 LEU 20 1.371 6.865 1.932 210 QQD LEU 20 QQD LEU 20 1.676 6.991 3.439 211 H ALA 21 HN ALA 21 3.171 2.454 3.455 212 HA ALA 21 HA ALA 21 0.832 1.746 4.750 213 1HB ALA 21 2HB ALA 21 3.104 -0.169 4.073 214 2HB ALA 21 3HB ALA 21 1.431 -0.631 4.371 215 3HB ALA 21 1HB ALA 21 1.836 0.339 2.960 216 QB ALA 21 QB ALA 21 2.124 -0.154 3.801 217 H GLU 22 HN GLU 22 4.142 1.019 5.817 218 HA GLU 22 HA GLU 22 3.486 -0.224 8.264 219 1HB GLU 22 2HB GLU 22 5.735 -0.049 7.147 220 2HB GLU 22 3HB GLU 22 5.849 1.603 7.722 221 1HG GLU 22 2HG GLU 22 6.648 0.815 9.657 222 2HG GLU 22 3HG GLU 22 5.092 0.065 9.970 223 QB GLU 22 QB GLU 22 5.792 0.777 7.435 224 QG GLU 22 QG GLU 22 5.870 0.440 9.814 225 H LYS 23 HN LYS 23 4.299 3.145 7.618 226 HA LYS 23 HA LYS 23 3.984 4.243 10.183 227 1HB LYS 23 2HB LYS 23 4.759 5.309 7.917 228 2HB LYS 23 3HB LYS 23 3.064 5.684 7.680 229 1HG LYS 23 2HG LYS 23 3.515 6.528 10.294 230 2HG LYS 23 3HG LYS 23 5.040 6.901 9.507 231 1HD LYS 23 2HD LYS 23 3.681 8.857 9.225 232 2HD LYS 23 3HD LYS 23 3.691 8.047 7.664 233 1HE LYS 23 2HE LYS 23 1.395 8.759 8.306 234 2HE LYS 23 3HE LYS 23 1.500 7.006 8.179 235 1HZ LYS 23 2HZ LYS 23 2.209 7.874 10.788 236 2HZ LYS 23 3HZ LYS 23 0.664 8.434 10.405 237 3HZ LYS 23 1HZ LYS 23 1.027 6.775 10.325 238 QB LYS 23 QB LYS 23 3.911 5.496 7.799 239 QG LYS 23 QG LYS 23 4.277 6.715 9.900 240 QD LYS 23 QD LYS 23 3.686 8.452 8.445 241 QE LYS 23 QE LYS 23 1.448 7.883 8.243 242 QZ LYS 23 QZ LYS 23 1.300 7.694 10.506 243 H LEU 24 HN LEU 24 1.620 2.998 8.064 244 HA LEU 24 HA LEU 24 -0.601 4.274 9.576 245 1HB LEU 24 2HB LEU 24 -0.663 2.412 7.162 246 2HB LEU 24 3HB LEU 24 -2.068 3.187 7.880 247 HG LEU 24 HG LEU 24 0.316 4.698 6.734 248 1HD1 LEU 24 1HD1 LEU 24 -0.956 3.490 4.986 249 2HD1 LEU 24 2HD1 LEU 24 -2.453 4.198 5.579 250 3HD1 LEU 24 3HD1 LEU 24 -1.217 5.225 4.858 251 1HD2 LEU 24 1HD2 LEU 24 -2.438 5.620 7.660 252 2HD2 LEU 24 2HD2 LEU 24 -0.919 5.951 8.478 253 3HD2 LEU 24 3HD2 LEU 24 -1.234 6.649 6.897 254 QB LEU 24 QB LEU 24 -1.365 2.799 7.521 255 QD1 LEU 24 QD1 LEU 24 -1.542 4.304 5.141 256 QD2 LEU 24 QD2 LEU 24 -1.530 6.073 7.678 257 QQD LEU 24 QQD LEU 24 -1.536 5.189 6.410 258 H SER 25 HN SER 25 0.450 1.014 8.634 259 HA SER 25 HA SER 25 -1.277 -0.583 10.084 260 1HB SER 25 2HB SER 25 1.722 -0.922 9.721 261 2HB SER 25 3HB SER 25 0.658 -2.193 10.355 262 HG SER 25 HG SER 25 -0.650 -1.884 8.484 263 QB SER 25 QB SER 25 1.190 -1.557 10.038 264 H ASN 26 HN ASN 26 1.432 1.232 11.387 265 HA ASN 26 HA ASN 26 0.767 0.186 14.101 266 1HB ASN 26 2HB ASN 26 3.192 1.666 13.042 267 2HB ASN 26 3HB ASN 26 3.009 1.082 14.696 268 1HD2 ASN 26 2HD2 ASN 26 3.856 -1.537 11.712 269 2HD2 ASN 26 1HD2 ASN 26 3.560 0.102 11.384 270 QB ASN 26 QB ASN 26 3.101 1.374 13.869 271 QD2 ASN 26 QD2 ASN 26 3.708 -0.718 11.548 272 H GLU 27 HN GLU 27 -0.629 2.503 12.638 273 HA GLU 27 HA GLU 27 -0.483 4.379 14.945 274 1HB GLU 27 2HB GLU 27 -0.238 4.964 12.020 275 2HB GLU 27 3HB GLU 27 -1.136 6.110 13.001 276 1HG GLU 27 2HG GLU 27 0.827 6.186 14.594 277 2HG GLU 27 3HG GLU 27 1.717 5.167 13.474 278 QB GLU 27 QB GLU 27 -0.687 5.537 12.510 279 QG GLU 27 QG GLU 27 1.272 5.677 14.034 280 NH1 ARG 28 NH1 ARG 28 -9.304 5.764 10.636 281 NH2 ARG 28 NH2 ARG 28 -8.640 7.930 10.589 282 H ARG 28 HN ARG 28 -2.373 2.795 12.504 283 HA ARG 28 HA ARG 28 -4.847 3.743 13.909 284 1HB ARG 28 2HB ARG 28 -4.239 4.408 11.362 285 2HB ARG 28 3HB ARG 28 -4.985 2.846 11.051 286 1HG ARG 28 2HG ARG 28 -7.057 3.665 11.440 287 2HG ARG 28 3HG ARG 28 -6.567 4.376 12.972 288 1HD ARG 28 2HD ARG 28 -5.443 6.235 11.535 289 2HD ARG 28 3HD ARG 28 -6.411 5.601 10.201 290 HE ARG 28 HE ARG 28 -7.568 6.673 12.756 291 1HH1 ARG 28 2HH1 ARG 28 -9.181 4.833 10.993 292 2HH1 ARG 28 1HH1 ARG 28 -10.036 5.964 9.972 293 1HH2 ARG 28 2HH2 ARG 28 -7.962 8.644 10.808 294 2HH2 ARG 28 1HH2 ARG 28 -9.420 8.165 10.009 295 QB ARG 28 QB ARG 28 -4.612 3.627 11.207 296 QG ARG 28 QG ARG 28 -6.812 4.020 12.206 297 QD ARG 28 QD ARG 28 -5.927 5.918 10.868 298 QH1 ARG 28 QH1 ARG 28 -9.608 5.399 10.482 299 QH2 ARG 28 QH2 ARG 28 -8.691 8.405 10.408 300 H ASP 29 HN ASP 29 -6.639 1.940 12.594 301 HA ASP 29 HA ASP 29 -5.670 -0.682 13.523 302 1HB ASP 29 2HB ASP 29 -7.381 0.516 15.037 303 2HB ASP 29 3HB ASP 29 -8.519 0.351 13.714 304 QB ASP 29 QB ASP 29 -7.950 0.434 14.376 305 H ASP 30 HN ASP 30 -7.397 -2.211 12.573 306 HA ASP 30 HA ASP 30 -7.806 -3.494 10.625 307 1HB ASP 30 2HB ASP 30 -9.894 -2.201 10.860 308 2HB ASP 30 3HB ASP 30 -9.199 -0.895 9.906 309 QB ASP 30 QB ASP 30 -9.547 -1.548 10.383 310 H PHE 31 HN PHE 31 -5.211 -2.009 10.481 311 HA PHE 31 HA PHE 31 -5.172 -1.812 7.492 312 1HB PHE 31 2HB PHE 31 -4.965 0.422 8.644 313 2HB PHE 31 3HB PHE 31 -3.420 -0.129 9.293 314 HD1 PHE 31 2HD PHE 31 -5.264 0.651 6.161 315 HD2 PHE 31 1HD PHE 31 -1.497 -0.360 7.839 316 HE1 PHE 31 2HE PHE 31 -4.201 0.918 3.956 317 HE2 PHE 31 1HE PHE 31 -0.442 -0.123 5.656 318 HZ PHE 31 HZ PHE 31 -1.783 0.541 3.707 319 QB PHE 31 QB PHE 31 -4.192 0.147 8.968 320 QR PHE 31 QR PHE 31 -2.851 0.271 5.903 321 H GLN 32 HN GLN 32 -4.520 -3.960 7.281 322 HA GLN 32 HA GLN 32 -1.762 -4.590 8.271 323 1HB GLN 32 2HB GLN 32 -3.803 -6.432 6.945 324 2HB GLN 32 3HB GLN 32 -2.281 -6.922 7.672 325 1HG GLN 32 2HG GLN 32 -3.087 -6.307 9.896 326 2HG GLN 32 3HG GLN 32 -4.563 -5.630 9.215 327 1HE2 GLN 32 2HE2 GLN 32 -4.376 -9.583 9.916 328 2HE2 GLN 32 1HE2 GLN 32 -3.160 -8.514 10.423 329 QB GLN 32 QB GLN 32 -3.042 -6.677 7.308 330 QG GLN 32 QG GLN 32 -3.825 -5.969 9.555 331 QE2 GLN 32 QE2 GLN 32 -3.768 -9.048 10.169 332 OH TYR 33 OH TYR 33 5.457 -3.077 6.834 333 H TYR 33 HN TYR 33 -0.160 -4.938 6.608 334 HA TYR 33 HA TYR 33 -1.158 -4.673 3.816 335 1HB TYR 33 2HB TYR 33 0.504 -3.074 3.214 336 2HB TYR 33 3HB TYR 33 -0.249 -2.460 4.680 337 HD1 TYR 33 HD1 TYR 33 0.937 -3.013 6.929 338 HD2 TYR 33 HD2 TYR 33 2.844 -3.413 3.154 339 HE1 TYR 33 HE1 TYR 33 3.114 -2.921 8.033 340 HE2 TYR 33 HE2 TYR 33 5.030 -3.363 4.250 341 HH TYR 33 HH TYR 33 5.314 -3.073 7.804 342 QB TYR 33 QB TYR 33 0.127 -2.767 3.947 343 QR TYR 33 QR TYR 33 2.981 -3.177 5.591 344 H GLN 34 HN GLN 34 0.171 -5.603 2.259 345 HA GLN 34 HA GLN 34 2.254 -7.494 3.315 346 1HB GLN 34 2HB GLN 34 0.000 -8.483 2.483 347 2HB GLN 34 3HB GLN 34 0.511 -8.003 0.873 348 1HG GLN 34 2HG GLN 34 2.506 -9.564 2.453 349 2HG GLN 34 3HG GLN 34 1.071 -10.442 1.940 350 1HE2 GLN 34 2HE2 GLN 34 2.556 -10.902 -1.240 351 2HE2 GLN 34 1HE2 GLN 34 1.746 -11.601 0.084 352 QB GLN 34 QB GLN 34 0.256 -8.243 1.678 353 QG GLN 34 QG GLN 34 1.788 -10.003 2.197 354 QE2 GLN 34 QE2 GLN 34 2.151 -11.251 -0.578 355 OH TYR 35 OH TYR 35 9.583 -3.302 -2.512 356 H TYR 35 HN TYR 35 4.178 -7.604 2.095 357 HA TYR 35 HA TYR 35 4.494 -5.348 0.184 358 1HB TYR 35 2HB TYR 35 6.159 -5.598 2.066 359 2HB TYR 35 3HB TYR 35 6.666 -7.127 1.351 360 HD1 TYR 35 HD1 TYR 35 7.476 -7.069 -1.128 361 HD2 TYR 35 HD2 TYR 35 7.040 -3.566 1.221 362 HE1 TYR 35 HE1 TYR 35 8.849 -5.817 -2.728 363 HE2 TYR 35 HE2 TYR 35 8.480 -2.337 -0.337 364 HH TYR 35 HH TYR 35 10.445 -3.160 -2.093 365 QB TYR 35 QB TYR 35 6.413 -6.363 1.709 366 QR TYR 35 QR TYR 35 7.961 -4.697 -0.743 367 H VAL 36 HN VAL 36 4.336 -5.749 -1.881 368 HA VAL 36 HA VAL 36 4.866 -8.502 -2.863 369 HB VAL 36 HB VAL 36 2.967 -6.298 -3.716 370 1HG1 VAL 36 2HG1 VAL 36 3.764 -8.785 -5.305 371 2HG1 VAL 36 3HG1 VAL 36 2.431 -7.710 -5.704 372 3HG1 VAL 36 1HG1 VAL 36 4.082 -7.120 -5.789 373 1HG2 VAL 36 2HG2 VAL 36 2.692 -9.237 -3.056 374 2HG2 VAL 36 3HG2 VAL 36 2.199 -7.885 -2.053 375 3HG2 VAL 36 1HG2 VAL 36 1.372 -8.202 -3.571 376 QG1 VAL 36 QG1 VAL 36 3.426 -7.872 -5.599 377 QG2 VAL 36 QG2 VAL 36 2.088 -8.441 -2.893 378 QQG VAL 36 QQG VAL 36 2.757 -8.157 -4.246 379 H ASP 37 HN ASP 37 6.359 -8.784 -4.370 380 HA ASP 37 HA ASP 37 7.873 -6.434 -5.470 381 1HB ASP 37 2HB ASP 37 9.246 -7.638 -3.867 382 2HB ASP 37 3HB ASP 37 8.798 -9.181 -4.563 383 QB ASP 37 QB ASP 37 9.022 -8.410 -4.215 384 H ILE 38 HN ILE 38 5.684 -7.342 -6.724 385 HA ILE 38 HA ILE 38 4.762 -8.552 -8.508 386 HB ILE 38 HB ILE 38 6.033 -7.677 -10.648 387 1HG1 ILE 38 2HG1 ILE 38 7.132 -5.623 -8.756 388 2HG1 ILE 38 3HG1 ILE 38 8.033 -7.104 -8.934 389 1HG2 ILE 38 1HG2 ILE 38 3.913 -6.780 -9.731 390 2HG2 ILE 38 2HG2 ILE 38 4.822 -5.801 -8.582 391 3HG2 ILE 38 3HG2 ILE 38 4.951 -5.477 -10.311 392 1HD1 ILE 38 1HD1 ILE 38 7.177 -5.301 -11.209 393 2HD1 ILE 38 2HD1 ILE 38 8.806 -5.405 -10.556 394 3HD1 ILE 38 3HD1 ILE 38 8.102 -6.787 -11.393 395 QG1 ILE 38 QG1 ILE 38 7.583 -6.363 -8.845 396 QG2 ILE 38 QG2 ILE 38 4.562 -6.019 -9.541 397 QD1 ILE 38 QD1 ILE 38 8.028 -5.831 -11.053 398 NH1 ARG 39 NH1 ARG 39 12.189 -14.734 -8.674 399 NH2 ARG 39 NH2 ARG 39 9.948 -14.875 -8.228 400 H ARG 39 HN ARG 39 8.134 -8.709 -9.411 401 HA ARG 39 HA ARG 39 7.914 -11.172 -10.820 402 1HB ARG 39 2HB ARG 39 9.749 -9.476 -11.081 403 2HB ARG 39 3HB ARG 39 10.393 -9.979 -9.528 404 1HG ARG 39 2HG ARG 39 9.897 -12.068 -11.639 405 2HG ARG 39 3HG ARG 39 11.296 -11.024 -11.784 406 1HD ARG 39 2HD ARG 39 12.379 -12.457 -10.395 407 2HD ARG 39 3HD ARG 39 11.368 -11.832 -9.095 408 HE ARG 39 HE ARG 39 10.035 -13.936 -10.620 409 1HH1 ARG 39 2HH1 ARG 39 12.911 -14.390 -9.269 410 2HH1 ARG 39 1HH1 ARG 39 12.427 -15.304 -7.889 411 1HH2 ARG 39 2HH2 ARG 39 9.011 -14.566 -8.452 412 2HH2 ARG 39 1HH2 ARG 39 10.084 -15.501 -7.459 413 QB ARG 39 QB ARG 39 10.071 -9.727 -10.305 414 QG ARG 39 QG ARG 39 10.597 -11.546 -11.711 415 QD ARG 39 QD ARG 39 11.874 -12.145 -9.745 416 QH1 ARG 39 QH1 ARG 39 12.669 -14.847 -8.579 417 QH2 ARG 39 QH2 ARG 39 9.548 -15.034 -7.956 418 H ALA 40 HN ALA 40 9.211 -10.496 -7.539 419 HA ALA 40 HA ALA 40 9.978 -13.019 -6.725 420 1HB ALA 40 1HB ALA 40 8.273 -11.111 -5.096 421 2HB ALA 40 2HB ALA 40 9.175 -12.472 -4.438 422 3HB ALA 40 3HB ALA 40 10.031 -11.119 -5.170 423 QB ALA 40 QB ALA 40 9.160 -11.568 -4.901 424 H GLU 41 HN GLU 41 6.628 -11.804 -6.643 425 HA GLU 41 HA GLU 41 5.561 -14.409 -5.882 426 1HB GLU 41 2HB GLU 41 4.132 -11.947 -6.975 427 2HB GLU 41 3HB GLU 41 3.342 -13.341 -6.254 428 1HG GLU 41 2HG GLU 41 4.845 -12.856 -4.172 429 2HG GLU 41 3HG GLU 41 5.114 -11.285 -4.909 430 QB GLU 41 QB GLU 41 3.737 -12.644 -6.614 431 QG GLU 41 QG GLU 41 4.980 -12.070 -4.541 432 H GLY 42 HN GLY 42 5.706 -12.549 -8.875 433 1HA GLY 42 1HA GLY 42 6.180 -13.923 -10.940 434 2HA GLY 42 2HA GLY 42 4.921 -15.019 -10.378 435 QA GLY 42 QA GLY 42 5.551 -14.471 -10.659 436 H ILE 43 HN ILE 43 4.705 -11.558 -10.092 437 HA ILE 43 HA ILE 43 2.329 -11.569 -11.866 438 HB ILE 43 HB ILE 43 3.375 -9.486 -9.902 439 1HG1 ILE 43 2HG1 ILE 43 1.056 -11.437 -9.634 440 2HG1 ILE 43 3HG1 ILE 43 2.632 -11.679 -8.896 441 1HG2 ILE 43 2HG2 ILE 43 1.962 -8.544 -11.730 442 2HG2 ILE 43 3HG2 ILE 43 0.699 -9.703 -11.328 443 3HG2 ILE 43 1HG2 ILE 43 1.148 -8.457 -10.175 444 1HD1 ILE 43 3HD1 ILE 43 2.364 -9.551 -7.638 445 2HD1 ILE 43 1HD1 ILE 43 0.769 -9.347 -8.355 446 3HD1 ILE 43 2HD1 ILE 43 1.076 -10.694 -7.269 447 QG1 ILE 43 QG1 ILE 43 1.844 -11.558 -9.265 448 QG2 ILE 43 QG2 ILE 43 1.269 -8.901 -11.078 449 QD1 ILE 43 QD1 ILE 43 1.403 -9.864 -7.754 450 H THR 44 HN THR 44 2.159 -10.005 -13.532 451 HA THR 44 HA THR 44 4.761 -8.844 -14.436 452 HB THR 44 HB THR 44 4.030 -9.408 -16.751 453 HG1 THR 44 1HG THR 44 2.025 -10.148 -16.997 454 1HG2 THR 44 3HG2 THR 44 5.212 -11.174 -15.341 455 2HG2 THR 44 1HG2 THR 44 3.625 -11.758 -14.845 456 3HG2 THR 44 2HG2 THR 44 4.111 -11.855 -16.536 457 QG2 THR 44 QG2 THR 44 4.316 -11.596 -15.574 458 H LYS 45 HN LYS 45 4.089 -7.315 -16.514 459 HA LYS 45 HA LYS 45 2.562 -5.127 -15.245 460 1HB LYS 45 2HB LYS 45 4.053 -5.249 -17.885 461 2HB LYS 45 3HB LYS 45 3.306 -3.802 -17.213 462 1HG LYS 45 2HG LYS 45 4.742 -4.279 -15.102 463 2HG LYS 45 3HG LYS 45 5.663 -5.364 -16.129 464 1HD LYS 45 2HD LYS 45 5.223 -2.391 -16.632 465 2HD LYS 45 3HD LYS 45 6.700 -3.116 -16.030 466 1HE LYS 45 2HE LYS 45 7.156 -2.887 -18.321 467 2HE LYS 45 3HE LYS 45 6.625 -4.561 -18.208 468 1HZ LYS 45 2HZ LYS 45 4.366 -2.938 -18.578 469 2HZ LYS 45 3HZ LYS 45 5.522 -2.505 -19.748 470 3HZ LYS 45 1HZ LYS 45 4.998 -4.116 -19.613 471 QB LYS 45 QB LYS 45 3.679 -4.525 -17.549 472 QG LYS 45 QG LYS 45 5.203 -4.821 -15.615 473 QD LYS 45 QD LYS 45 5.961 -2.754 -16.331 474 QE LYS 45 QE LYS 45 6.890 -3.724 -18.265 475 QZ LYS 45 QZ LYS 45 4.962 -3.187 -19.313 476 H GLU 46 HN GLU 46 1.732 -7.744 -16.952 477 HA GLU 46 HA GLU 46 -0.428 -6.392 -18.508 478 1HB GLU 46 2HB GLU 46 0.188 -9.368 -18.513 479 2HB GLU 46 3HB GLU 46 -0.650 -8.433 -19.743 480 1HG GLU 46 2HG GLU 46 1.486 -8.716 -20.711 481 2HG GLU 46 3HG GLU 46 1.638 -7.134 -19.953 482 QB GLU 46 QB GLU 46 -0.231 -8.901 -19.128 483 QG GLU 46 QG GLU 46 1.562 -7.925 -20.332 484 H ASP 47 HN ASP 47 0.263 -8.937 -16.140 485 HA ASP 47 HA ASP 47 -2.360 -9.610 -15.346 486 1HB ASP 47 2HB ASP 47 -0.233 -10.721 -14.568 487 2HB ASP 47 3HB ASP 47 0.113 -9.312 -13.584 488 QB ASP 47 QB ASP 47 -0.060 -10.017 -14.076 489 H LEU 48 HN LEU 48 -0.173 -7.238 -13.890 490 HA LEU 48 HA LEU 48 -1.880 -6.075 -12.027 491 1HB LEU 48 2HB LEU 48 0.319 -4.838 -13.710 492 2HB LEU 48 3HB LEU 48 -0.477 -3.966 -12.403 493 HG LEU 48 HG LEU 48 0.769 -6.707 -12.010 494 1HD1 LEU 48 2HD1 LEU 48 2.509 -5.109 -12.763 495 2HD1 LEU 48 3HD1 LEU 48 2.024 -3.987 -11.495 496 3HD1 LEU 48 1HD1 LEU 48 2.726 -5.543 -11.073 497 1HD2 LEU 48 3HD2 LEU 48 0.025 -4.476 -10.073 498 2HD2 LEU 48 1HD2 LEU 48 -0.885 -5.963 -10.302 499 3HD2 LEU 48 2HD2 LEU 48 0.734 -6.023 -9.628 500 QB LEU 48 QB LEU 48 -0.079 -4.402 -13.057 501 QD1 LEU 48 QD1 LEU 48 2.420 -4.879 -11.777 502 QD2 LEU 48 QD2 LEU 48 -0.042 -5.487 -10.001 503 QQD LEU 48 QQD LEU 48 1.189 -5.183 -10.889 504 H GLN 49 HN GLN 49 -1.754 -5.338 -15.520 505 HA GLN 49 HA GLN 49 -3.327 -3.022 -15.599 506 1HB GLN 49 2HB GLN 49 -2.402 -4.250 -17.586 507 2HB GLN 49 3HB GLN 49 -3.637 -5.478 -17.374 508 1HG GLN 49 2HG GLN 49 -4.424 -2.583 -17.695 509 2HG GLN 49 3HG GLN 49 -4.053 -3.584 -19.089 510 1HE2 GLN 49 2HE2 GLN 49 -7.583 -4.042 -17.188 511 2HE2 GLN 49 1HE2 GLN 49 -6.443 -2.901 -16.673 512 QB GLN 49 QB GLN 49 -3.019 -4.864 -17.480 513 QG GLN 49 QG GLN 49 -4.238 -3.083 -18.392 514 QE2 GLN 49 QE2 GLN 49 -7.013 -3.471 -16.930 515 H GLN 50 HN GLN 50 -4.419 -6.330 -15.523 516 HA GLN 50 HA GLN 50 -7.174 -6.203 -15.493 517 1HB GLN 50 2HB GLN 50 -5.648 -8.229 -15.353 518 2HB GLN 50 3HB GLN 50 -5.497 -7.910 -13.631 519 1HG GLN 50 2HG GLN 50 -8.035 -8.052 -13.482 520 2HG GLN 50 3HG GLN 50 -8.024 -8.632 -15.144 521 1HE2 GLN 50 2HE2 GLN 50 -5.756 -11.218 -13.034 522 2HE2 GLN 50 1HE2 GLN 50 -5.194 -9.661 -13.409 523 QB GLN 50 QB GLN 50 -5.573 -8.070 -14.492 524 QG GLN 50 QG GLN 50 -8.029 -8.342 -14.313 525 QE2 GLN 50 QE2 GLN 50 -5.475 -10.440 -13.221 526 H LYS 51 HN LYS 51 -5.119 -5.948 -12.650 527 HA LYS 51 HA LYS 51 -7.428 -5.313 -10.913 528 1HB LYS 51 2HB LYS 51 -4.547 -6.041 -10.536 529 2HB LYS 51 3HB LYS 51 -5.378 -5.230 -9.228 530 1HG LYS 51 2HG LYS 51 -7.248 -7.040 -9.577 531 2HG LYS 51 3HG LYS 51 -6.047 -7.883 -10.538 532 1HD LYS 51 2HD LYS 51 -6.129 -8.621 -8.120 533 2HD LYS 51 3HD LYS 51 -4.546 -8.103 -8.675 534 1HE LYS 51 2HE LYS 51 -5.405 -7.219 -6.374 535 2HE LYS 51 3HE LYS 51 -4.640 -6.078 -7.471 536 1HZ LYS 51 2HZ LYS 51 -7.430 -6.287 -7.988 537 2HZ LYS 51 3HZ LYS 51 -7.182 -5.876 -6.360 538 3HZ LYS 51 1HZ LYS 51 -6.529 -4.907 -7.598 539 QB LYS 51 QB LYS 51 -4.963 -5.636 -9.882 540 QG LYS 51 QG LYS 51 -6.647 -7.462 -10.058 541 QD LYS 51 QD LYS 51 -5.338 -8.362 -8.398 542 QE LYS 51 QE LYS 51 -5.022 -6.649 -6.922 543 QZ LYS 51 QZ LYS 51 -7.047 -5.690 -7.315 544 H ALA 52 HN ALA 52 -4.758 -3.670 -12.324 545 HA ALA 52 HA ALA 52 -4.755 -1.367 -10.606 546 1HB ALA 52 3HB ALA 52 -2.774 -2.078 -11.892 547 2HB ALA 52 1HB ALA 52 -3.630 -1.767 -13.396 548 3HB ALA 52 2HB ALA 52 -3.229 -0.433 -12.317 549 QB ALA 52 QB ALA 52 -3.211 -1.426 -12.535 550 H GLY 53 HN GLY 53 -5.965 -1.884 -13.931 551 1HA GLY 53 1HA GLY 53 -7.767 -0.717 -14.977 552 2HA GLY 53 2HA GLY 53 -8.010 0.180 -13.473 553 QA GLY 53 QA GLY 53 -7.889 -0.268 -14.225 554 H LYS 54 HN LYS 54 -5.270 0.945 -13.244 555 HA LYS 54 HA LYS 54 -5.211 3.301 -14.991 556 1HB LYS 54 2HB LYS 54 -4.008 2.430 -12.440 557 2HB LYS 54 3HB LYS 54 -2.844 3.238 -13.469 558 1HG LYS 54 2HG LYS 54 -4.573 5.135 -13.693 559 2HG LYS 54 3HG LYS 54 -5.450 4.348 -12.381 560 1HD LYS 54 2HD LYS 54 -3.449 4.480 -10.944 561 2HD LYS 54 3HD LYS 54 -2.521 5.181 -12.253 562 1HE LYS 54 2HE LYS 54 -4.006 7.160 -12.260 563 2HE LYS 54 3HE LYS 54 -4.955 6.454 -10.953 564 1HZ LYS 54 3HZ LYS 54 -2.323 6.359 -10.094 565 2HZ LYS 54 1HZ LYS 54 -2.515 7.890 -10.802 566 3HZ LYS 54 2HZ LYS 54 -3.544 7.411 -9.541 567 QB LYS 54 QB LYS 54 -3.426 2.834 -12.955 568 QG LYS 54 QG LYS 54 -5.012 4.741 -13.037 569 QD LYS 54 QD LYS 54 -2.985 4.831 -11.599 570 QE LYS 54 QE LYS 54 -4.480 6.807 -11.606 571 QZ LYS 54 QZ LYS 54 -2.794 7.220 -10.146 572 HA PRO 55 HA PRO 55 -1.390 1.865 -17.204 573 1HB PRO 55 2HB PRO 55 -0.053 4.292 -16.104 574 2HB PRO 55 3HB PRO 55 -0.186 3.755 -17.780 575 1HG PRO 55 2HG PRO 55 -1.631 5.859 -16.817 576 2HG PRO 55 3HG PRO 55 -2.265 4.794 -18.079 577 1HD PRO 55 2HD PRO 55 -2.957 4.883 -15.156 578 2HD PRO 55 3HD PRO 55 -3.985 4.459 -16.540 579 QB PRO 55 QB PRO 55 -0.120 4.024 -16.942 580 QG PRO 55 QG PRO 55 -1.948 5.326 -17.448 581 QD PRO 55 QD PRO 55 -3.471 4.671 -15.848 582 H VAL 56 HN VAL 56 -0.098 0.342 -16.361 583 HA VAL 56 HA VAL 56 0.403 0.195 -13.493 584 HB VAL 56 HB VAL 56 1.620 -1.922 -14.134 585 1HG1 VAL 56 3HG1 VAL 56 -1.138 -1.548 -15.378 586 2HG1 VAL 56 1HG1 VAL 56 -0.406 -3.099 -14.985 587 3HG1 VAL 56 2HG1 VAL 56 -0.822 -1.968 -13.697 588 1HG2 VAL 56 1HG2 VAL 56 2.417 -1.116 -16.364 589 2HG2 VAL 56 2HG2 VAL 56 1.547 -2.641 -16.489 590 3HG2 VAL 56 3HG2 VAL 56 0.756 -1.143 -16.952 591 QG1 VAL 56 QG1 VAL 56 -0.789 -2.205 -14.687 592 QG2 VAL 56 QG2 VAL 56 1.573 -1.634 -16.602 593 QQG VAL 56 QQG VAL 56 0.392 -1.919 -15.644 594 H GLU 57 HN GLU 57 1.614 2.448 -14.920 595 HA GLU 57 HA GLU 57 4.494 1.853 -14.388 596 1HB GLU 57 2HB GLU 57 4.876 3.954 -15.869 597 2HB GLU 57 3HB GLU 57 4.467 2.445 -16.660 598 1HG GLU 57 2HG GLU 57 3.050 3.944 -17.756 599 2HG GLU 57 3HG GLU 57 1.987 3.323 -16.513 600 QB GLU 57 QB GLU 57 4.672 3.200 -16.265 601 QG GLU 57 QG GLU 57 2.519 3.633 -17.134 602 H THR 58 HN THR 58 1.778 3.337 -13.294 603 HA THR 58 HA THR 58 3.061 5.633 -11.987 604 HB THR 58 HB THR 58 0.675 5.817 -10.972 605 HG1 THR 58 1HG THR 58 0.058 3.811 -12.900 606 1HG2 THR 58 2HG2 THR 58 0.790 5.462 -14.016 607 2HG2 THR 58 3HG2 THR 58 -0.421 6.387 -13.132 608 3HG2 THR 58 1HG2 THR 58 1.249 6.945 -13.190 609 QG2 THR 58 QG2 THR 58 0.539 6.265 -13.446 610 H VAL 59 HN VAL 59 4.501 3.590 -11.326 611 HA VAL 59 HA VAL 59 3.469 2.264 -8.940 612 HB VAL 59 HB VAL 59 5.693 1.049 -8.987 613 1HG1 VAL 59 2HG1 VAL 59 4.002 1.023 -11.511 614 2HG1 VAL 59 3HG1 VAL 59 5.088 -0.265 -11.001 615 3HG1 VAL 59 1HG1 VAL 59 3.669 0.118 -10.039 616 1HG2 VAL 59 3HG2 VAL 59 6.942 2.849 -10.165 617 2HG2 VAL 59 1HG2 VAL 59 7.069 1.300 -10.990 618 3HG2 VAL 59 2HG2 VAL 59 5.988 2.541 -11.611 619 QG1 VAL 59 QG1 VAL 59 4.253 0.292 -10.850 620 QG2 VAL 59 QG2 VAL 59 6.666 2.230 -10.922 621 QQG VAL 59 QQG VAL 59 5.460 1.261 -10.886 622 HA PRO 60 HA PRO 60 5.183 0.913 -7.111 623 1HB PRO 60 2HB PRO 60 4.189 1.629 -4.542 624 2HB PRO 60 3HB PRO 60 5.788 0.978 -4.913 625 1HG PRO 60 2HG PRO 60 4.974 3.795 -4.397 626 2HG PRO 60 3HG PRO 60 6.534 3.039 -4.139 627 1HD PRO 60 2HD PRO 60 6.052 4.772 -6.212 628 2HD PRO 60 3HD PRO 60 7.243 3.457 -6.335 629 QB PRO 60 QB PRO 60 4.988 1.303 -4.727 630 QG PRO 60 QG PRO 60 5.754 3.417 -4.268 631 QD PRO 60 QD PRO 60 6.648 4.115 -6.273 632 H GLN 61 HN GLN 61 3.271 -0.151 -7.357 633 HA GLN 61 HA GLN 61 0.869 1.564 -7.748 634 1HB GLN 61 2HB GLN 61 1.757 -0.162 -9.498 635 2HB GLN 61 3HB GLN 61 1.130 -1.386 -8.413 636 1HG GLN 61 2HG GLN 61 -0.650 -1.000 -9.928 637 2HG GLN 61 3HG GLN 61 -1.100 -0.046 -8.524 638 1HE2 GLN 61 2HE2 GLN 61 0.368 2.856 -10.641 639 2HE2 GLN 61 1HE2 GLN 61 1.142 2.017 -9.382 640 QB GLN 61 QB GLN 61 1.444 -0.774 -8.956 641 QG GLN 61 QG GLN 61 -0.875 -0.523 -9.226 642 QE2 GLN 61 QE2 GLN 61 0.755 2.436 -10.011 643 H ILE 62 HN ILE 62 -0.413 1.733 -6.019 644 HA ILE 62 HA ILE 62 -0.341 -0.480 -4.022 645 HB ILE 62 HB ILE 62 -0.996 2.465 -3.732 646 1HG1 ILE 62 2HG1 ILE 62 0.833 2.082 -1.879 647 2HG1 ILE 62 3HG1 ILE 62 1.213 0.638 -2.811 648 1HG2 ILE 62 1HG2 ILE 62 -1.336 0.215 -1.714 649 2HG2 ILE 62 2HG2 ILE 62 -1.372 1.927 -1.303 650 3HG2 ILE 62 3HG2 ILE 62 -2.604 1.252 -2.358 651 1HD1 ILE 62 3HD1 ILE 62 1.100 3.432 -3.952 652 2HD1 ILE 62 1HD1 ILE 62 2.580 2.600 -3.498 653 3HD1 ILE 62 2HD1 ILE 62 1.591 1.980 -4.808 654 QG1 ILE 62 QG1 ILE 62 1.023 1.360 -2.345 655 QG2 ILE 62 QG2 ILE 62 -1.770 1.131 -1.792 656 QD1 ILE 62 QD1 ILE 62 1.757 2.671 -4.086 657 H PHE 63 HN PHE 63 -2.010 -1.398 -3.350 658 HA PHE 63 HA PHE 63 -4.734 -0.753 -4.414 659 1HB PHE 63 2HB PHE 63 -3.524 -3.523 -3.996 660 2HB PHE 63 3HB PHE 63 -5.157 -3.192 -4.559 661 HD1 PHE 63 2HD PHE 63 -1.627 -2.237 -5.472 662 HD2 PHE 63 1HD PHE 63 -5.507 -3.288 -6.856 663 HE1 PHE 63 2HE PHE 63 -0.854 -2.074 -7.775 664 HE2 PHE 63 1HE PHE 63 -4.718 -3.102 -9.163 665 HZ PHE 63 HZ PHE 63 -2.441 -2.384 -9.625 666 QB PHE 63 QB PHE 63 -4.340 -3.357 -4.277 667 QR PHE 63 QR PHE 63 -3.177 -2.675 -7.317 668 H VAL 64 HN VAL 64 -6.317 -0.840 -2.818 669 HA VAL 64 HA VAL 64 -5.265 -1.529 -0.076 670 HB VAL 64 HB VAL 64 -7.394 0.467 -0.915 671 1HG1 VAL 64 1HG1 VAL 64 -6.593 -0.435 1.880 672 2HG1 VAL 64 2HG1 VAL 64 -7.669 0.910 1.520 673 3HG1 VAL 64 3HG1 VAL 64 -8.153 -0.729 1.119 674 1HG2 VAL 64 2HG2 VAL 64 -4.953 1.142 -1.006 675 2HG2 VAL 64 3HG2 VAL 64 -5.905 2.083 0.143 676 3HG2 VAL 64 1HG2 VAL 64 -4.852 0.795 0.712 677 QG1 VAL 64 QG1 VAL 64 -7.472 -0.085 1.506 678 QG2 VAL 64 QG2 VAL 64 -5.236 1.340 -0.051 679 QQG VAL 64 QQG VAL 64 -6.354 0.628 0.728 680 H ASP 65 HN ASP 65 -5.900 -3.500 0.396 681 HA ASP 65 HA ASP 65 -7.390 -5.166 1.079 682 1HB ASP 65 2HB ASP 65 -8.925 -3.029 1.449 683 2HB ASP 65 3HB ASP 65 -9.760 -3.632 0.032 684 QB ASP 65 QB ASP 65 -9.343 -3.331 0.740 685 H GLN 66 HN GLN 66 -9.068 -3.798 -1.685 686 HA GLN 66 HA GLN 66 -8.551 -6.332 -3.149 687 1HB GLN 66 2HB GLN 66 -11.253 -4.970 -2.893 688 2HB GLN 66 3HB GLN 66 -10.923 -6.401 -3.862 689 1HG GLN 66 2HG GLN 66 -10.353 -7.691 -1.885 690 2HG GLN 66 3HG GLN 66 -10.422 -6.260 -0.868 691 1HE2 GLN 66 2HE2 GLN 66 -13.813 -6.692 -0.231 692 2HE2 GLN 66 1HE2 GLN 66 -12.294 -6.115 0.275 693 QB GLN 66 QB GLN 66 -11.088 -5.685 -3.377 694 QG GLN 66 QG GLN 66 -10.387 -6.976 -1.377 695 QE2 GLN 66 QE2 GLN 66 -13.054 -6.404 0.022 696 H GLN 67 HN GLN 67 -9.576 -2.937 -3.458 697 HA GLN 67 HA GLN 67 -9.297 -3.153 -6.383 698 1HB GLN 67 2HB GLN 67 -10.233 -0.820 -6.307 699 2HB GLN 67 3HB GLN 67 -11.299 -2.033 -5.648 700 1HG GLN 67 2HG GLN 67 -9.447 -0.690 -3.720 701 2HG GLN 67 3HG GLN 67 -10.761 0.286 -4.368 702 1HE2 GLN 67 2HE2 GLN 67 -11.624 -2.311 -1.482 703 2HE2 GLN 67 1HE2 GLN 67 -10.045 -1.784 -1.821 704 QB GLN 67 QB GLN 67 -10.766 -1.426 -5.978 705 QG GLN 67 QG GLN 67 -10.104 -0.202 -4.044 706 QE2 GLN 67 QE2 GLN 67 -10.835 -2.047 -1.652 707 H HIS 68 HN HIS 68 -8.221 -1.544 -7.557 708 HA HIS 68 HA HIS 68 -5.557 -0.928 -6.512 709 1HB HIS 68 2HB HIS 68 -5.964 -1.433 -8.902 710 2HB HIS 68 3HB HIS 68 -6.966 -0.019 -9.039 711 HD1 HIS 68 HD1 HIS 68 -5.520 1.277 -10.547 712 HD2 HIS 68 HD2 HIS 68 -3.377 -0.002 -7.288 713 HE1 HIS 68 HE1 HIS 68 -3.317 2.533 -10.570 714 QB HIS 68 QB HIS 68 -6.465 -0.726 -8.971 715 H ILE 69 HN ILE 69 -4.887 1.162 -5.889 716 HA ILE 69 HA ILE 69 -7.164 3.044 -5.506 717 HB ILE 69 HB ILE 69 -4.470 2.923 -4.113 718 1HG1 ILE 69 2HG1 ILE 69 -5.744 1.040 -3.367 719 2HG1 ILE 69 3HG1 ILE 69 -5.966 2.284 -2.157 720 1HG2 ILE 69 3HG2 ILE 69 -6.934 4.597 -3.536 721 2HG2 ILE 69 1HG2 ILE 69 -5.485 4.534 -2.542 722 3HG2 ILE 69 2HG2 ILE 69 -5.407 5.205 -4.167 723 1HD1 ILE 69 1HD1 ILE 69 -8.159 2.885 -3.140 724 2HD1 ILE 69 2HD1 ILE 69 -7.961 1.620 -4.349 725 3HD1 ILE 69 3HD1 ILE 69 -8.118 1.196 -2.657 726 QG1 ILE 69 QG1 ILE 69 -5.855 1.662 -2.762 727 QG2 ILE 69 QG2 ILE 69 -5.942 4.779 -3.415 728 QD1 ILE 69 QD1 ILE 69 -8.079 1.901 -3.382 729 H GLY 70 HN GLY 70 -4.091 2.681 -7.127 730 1HA GLY 70 1HA GLY 70 -4.286 4.290 -9.188 731 2HA GLY 70 2HA GLY 70 -4.296 5.540 -7.971 732 QA GLY 70 QA GLY 70 -4.291 4.915 -8.579 733 H GLY 71 HN GLY 71 -2.313 4.250 -6.270 734 1HA GLY 71 1HA GLY 71 0.085 3.394 -7.063 735 2HA GLY 71 2HA GLY 71 0.087 4.949 -7.889 736 QA GLY 71 QA GLY 71 0.086 4.172 -7.476 737 OH TYR 72 OH TYR 72 5.793 7.861 0.428 738 H TYR 72 HN TYR 72 2.061 4.942 -6.301 739 HA TYR 72 HA TYR 72 1.794 5.244 -3.540 740 1HB TYR 72 2HB TYR 72 3.939 5.317 -4.908 741 2HB TYR 72 3HB TYR 72 3.601 7.006 -5.221 742 HD1 TYR 72 HD2 TYR 72 2.707 5.552 -1.920 743 HD2 TYR 72 HD1 TYR 72 5.692 7.678 -4.090 744 HE1 TYR 72 HE2 TYR 72 3.699 6.297 0.174 745 HE2 TYR 72 HE1 TYR 72 6.683 8.416 -1.988 746 HH TYR 72 HH TYR 72 5.701 8.824 0.424 747 QB TYR 72 QB TYR 72 3.770 6.162 -5.065 748 QR TYR 72 QR TYR 72 4.695 6.985 -1.956 749 H THR 73 HN THR 73 1.290 7.806 -5.973 750 HA THR 73 HA THR 73 0.804 9.904 -4.030 751 HB THR 73 HB THR 73 -0.396 10.951 -6.160 752 HG1 THR 73 1HG THR 73 -0.765 9.310 -7.511 753 1HG2 THR 73 1HG2 THR 73 2.462 9.917 -6.500 754 2HG2 THR 73 2HG2 THR 73 1.746 11.280 -7.353 755 3HG2 THR 73 3HG2 THR 73 2.059 11.389 -5.623 756 QG2 THR 73 QG2 THR 73 2.089 10.862 -6.492 757 H ASP 74 HN ASP 74 -1.398 8.159 -6.157 758 HA ASP 74 HA ASP 74 -3.848 9.069 -5.169 759 1HB ASP 74 2HB ASP 74 -3.226 6.223 -6.008 760 2HB ASP 74 3HB ASP 74 -4.791 7.032 -6.095 761 QB ASP 74 QB ASP 74 -4.009 6.627 -6.051 762 H PHE 75 HN PHE 75 -1.901 6.333 -4.014 763 HA PHE 75 HA PHE 75 -3.640 5.604 -1.887 764 1HB PHE 75 2HB PHE 75 -1.732 4.185 -2.644 765 2HB PHE 75 3HB PHE 75 -0.607 5.368 -1.990 766 HD1 PHE 75 2HD PHE 75 -3.704 3.582 -0.772 767 HD2 PHE 75 1HD PHE 75 0.279 4.799 0.085 768 HE1 PHE 75 2HE PHE 75 -3.866 2.544 1.447 769 HE2 PHE 75 1HE PHE 75 0.126 3.739 2.294 770 HZ PHE 75 HZ PHE 75 -1.941 2.619 2.985 771 QB PHE 75 QB PHE 75 -1.169 4.777 -2.317 772 QR PHE 75 QR PHE 75 -1.791 3.666 0.763 773 H ALA 76 HN ALA 76 -0.732 7.704 -1.846 774 HA ALA 76 HA ALA 76 -0.817 8.493 0.811 775 1HB ALA 76 2HB ALA 76 0.928 9.223 -0.792 776 2HB ALA 76 3HB ALA 76 -0.241 10.249 -1.613 777 3HB ALA 76 1HB ALA 76 0.250 10.621 0.036 778 QB ALA 76 QB ALA 76 0.312 10.031 -0.790 779 H ALA 77 HN ALA 77 -2.606 10.146 -1.795 780 HA ALA 77 HA ALA 77 -3.960 11.898 0.133 781 1HB ALA 77 1HB ALA 77 -4.641 11.258 -2.776 782 2HB ALA 77 2HB ALA 77 -5.351 12.565 -1.830 783 3HB ALA 77 3HB ALA 77 -3.636 12.594 -2.228 784 QB ALA 77 QB ALA 77 -4.543 12.139 -2.278 785 CH2 TRP 78 CH2 TRP 78 -8.807 3.311 1.335 786 H TRP 78 HN TRP 78 -5.024 9.177 -1.870 787 HA TRP 78 HA TRP 78 -7.670 8.922 -1.064 788 1HB TRP 78 2HB TRP 78 -6.568 7.428 -2.694 789 2HB TRP 78 3HB TRP 78 -5.666 6.678 -1.413 790 HD1 TRP 78 HD1 TRP 78 -9.029 6.535 -3.162 791 HE1 TRP 78 HE1 TRP 78 -10.465 4.735 -2.178 792 HE3 TRP 78 HE3 TRP 78 -6.199 5.416 0.802 793 HZ2 TRP 78 HZ2 TRP 78 -10.496 3.070 0.055 794 HZ3 TRP 78 HZ3 TRP 78 -7.013 3.724 2.414 795 HH2 TRP 78 HH2 TRP 78 -9.149 2.579 2.053 796 QB TRP 78 QB TRP 78 -6.117 7.053 -2.054 797 H VAL 79 HN VAL 79 -4.775 7.660 0.576 798 HA VAL 79 HA VAL 79 -5.950 6.378 2.768 799 HB VAL 79 HB VAL 79 -3.392 7.962 2.408 800 1HG1 VAL 79 1HG1 VAL 79 -4.313 6.631 4.979 801 2HG1 VAL 79 2HG1 VAL 79 -2.684 7.221 4.683 802 3HG1 VAL 79 3HG1 VAL 79 -4.028 8.351 4.762 803 1HG2 VAL 79 1HG2 VAL 79 -3.602 5.669 1.465 804 2HG2 VAL 79 2HG2 VAL 79 -2.387 5.733 2.733 805 3HG2 VAL 79 3HG2 VAL 79 -3.975 5.049 3.066 806 QG1 VAL 79 QG1 VAL 79 -3.675 7.401 4.808 807 QG2 VAL 79 QG2 VAL 79 -3.321 5.484 2.421 808 QQG VAL 79 QQG VAL 79 -3.498 6.442 3.615 809 H LYS 80 HN LYS 80 -4.879 9.761 2.658 810 HA LYS 80 HA LYS 80 -6.055 10.464 5.133 811 1HB LYS 80 2HB LYS 80 -4.440 11.784 3.529 812 2HB LYS 80 3HB LYS 80 -5.921 12.406 2.816 813 1HG LYS 80 2HG LYS 80 -5.471 12.482 5.813 814 2HG LYS 80 3HG LYS 80 -4.849 13.751 4.769 815 1HD LYS 80 2HD LYS 80 -7.085 14.291 3.973 816 2HD LYS 80 3HD LYS 80 -7.776 12.912 4.803 817 1HE LYS 80 2HE LYS 80 -6.449 15.273 6.161 818 2HE LYS 80 3HE LYS 80 -8.185 14.997 6.053 819 1HZ LYS 80 3HZ LYS 80 -6.922 12.671 7.064 820 2HZ LYS 80 1HZ LYS 80 -6.443 14.013 7.989 821 3HZ LYS 80 2HZ LYS 80 -8.092 13.651 7.801 822 QB LYS 80 QB LYS 80 -5.181 12.095 3.172 823 QG LYS 80 QG LYS 80 -5.160 13.117 5.291 824 QD LYS 80 QD LYS 80 -7.430 13.601 4.388 825 QE LYS 80 QE LYS 80 -7.317 15.135 6.107 826 QZ LYS 80 QZ LYS 80 -7.152 13.445 7.618 827 H GLU 81 HN GLU 81 -7.373 11.070 1.894 828 HA GLU 81 HA GLU 81 -9.813 12.222 2.699 829 1HB GLU 81 2HB GLU 81 -9.273 10.530 0.231 830 2HB GLU 81 3HB GLU 81 -10.602 11.661 0.417 831 1HG GLU 81 2HG GLU 81 -9.018 13.539 0.609 832 2HG GLU 81 3HG GLU 81 -7.656 12.427 0.527 833 QB GLU 81 QB GLU 81 -9.937 11.095 0.324 834 QG GLU 81 QG GLU 81 -8.337 12.983 0.568 835 H ASN 82 HN ASN 82 -9.119 8.782 2.335 836 HA ASN 82 HA ASN 82 -11.980 8.251 2.977 837 1HB ASN 82 2HB ASN 82 -9.767 6.427 1.970 838 2HB ASN 82 3HB ASN 82 -11.394 5.879 2.358 839 1HD2 ASN 82 2HD2 ASN 82 -10.852 8.293 -0.923 840 2HD2 ASN 82 1HD2 ASN 82 -9.708 8.310 0.334 841 QB ASN 82 QB ASN 82 -10.580 6.153 2.164 842 QD2 ASN 82 QD2 ASN 82 -10.280 8.301 -0.294 843 H LEU 83 HN LEU 83 -8.796 7.808 4.432 844 HA LEU 83 HA LEU 83 -9.981 6.041 6.460 845 1HB LEU 83 2HB LEU 83 -7.226 7.309 6.418 846 2HB LEU 83 3HB LEU 83 -7.758 6.034 7.501 847 HG LEU 83 HG LEU 83 -7.268 5.875 4.519 848 1HD1 LEU 83 1HD1 LEU 83 -5.409 5.428 6.085 849 2HD1 LEU 83 2HD1 LEU 83 -6.379 4.211 6.900 850 3HD1 LEU 83 3HD1 LEU 83 -5.874 3.959 5.235 851 1HD2 LEU 83 2HD2 LEU 83 -8.789 3.861 6.217 852 2HD2 LEU 83 3HD2 LEU 83 -9.459 4.795 4.884 853 3HD2 LEU 83 1HD2 LEU 83 -8.227 3.580 4.574 854 QB LEU 83 QB LEU 83 -7.492 6.671 6.959 855 QD1 LEU 83 QD1 LEU 83 -5.887 4.533 6.073 856 QD2 LEU 83 QD2 LEU 83 -8.825 4.079 5.225 857 QQD LEU 83 QQD LEU 83 -7.356 4.306 5.649 858 H ASP 84 HN ASP 84 -9.319 9.503 6.195 859 HA ASP 84 HA ASP 84 -9.861 9.724 9.140 860 1HB ASP 84 2HB ASP 84 -8.743 11.700 7.152 861 2HB ASP 84 3HB ASP 84 -9.131 12.111 8.819 862 QB ASP 84 QB ASP 84 -8.937 11.906 7.986 863 H ALA 85 HN ALA 85 -11.960 9.019 7.487 864 HA ALA 85 HA ALA 85 -13.738 11.379 7.827 865 1HB ALA 85 2HB ALA 85 -13.163 11.113 5.412 866 2HB ALA 85 3HB ALA 85 -13.744 9.451 5.476 867 3HB ALA 85 1HB ALA 85 -14.870 10.782 5.714 868 QB ALA 85 QB ALA 85 -13.926 10.449 5.534 Start of MODEL 5 Raw file had 868 H/Q atoms Start of MODEL 5 1 H MET 1 HN MET 1 -8.632 -2.457 7.329 2 HA MET 1 HA MET 1 -8.733 -4.293 5.196 3 1HB MET 1 2HB MET 1 -8.101 -2.305 3.795 4 2HB MET 1 3HB MET 1 -9.421 -1.971 4.899 5 1HG MET 1 2HG MET 1 -7.929 -0.839 6.443 6 2HG MET 1 3HG MET 1 -6.527 -1.347 5.541 7 1HE MET 1 1HE MET 1 -9.812 0.387 5.358 8 2HE MET 1 2HE MET 1 -9.559 1.849 4.418 9 3HE MET 1 3HE MET 1 -9.741 0.304 3.594 10 QB MET 1 QB MET 1 -8.761 -2.138 4.347 11 QG MET 1 QG MET 1 -7.228 -1.093 5.992 12 QE MET 1 QE MET 1 -9.704 0.847 4.457 13 H GLN 2 HN GLN 2 -7.015 -4.416 3.432 14 HA GLN 2 HA GLN 2 -4.314 -4.609 4.654 15 1HB GLN 2 2HB GLN 2 -3.931 -6.640 3.358 16 2HB GLN 2 3HB GLN 2 -5.303 -6.840 4.436 17 1HG GLN 2 2HG GLN 2 -6.709 -6.031 2.427 18 2HG GLN 2 3HG GLN 2 -5.284 -6.369 1.464 19 1HE2 GLN 2 2HE2 GLN 2 -7.674 -9.385 2.107 20 2HE2 GLN 2 1HE2 GLN 2 -8.111 -7.742 2.014 21 QB GLN 2 QB GLN 2 -4.617 -6.740 3.897 22 QG GLN 2 QG GLN 2 -5.996 -6.200 1.945 23 QE2 GLN 2 QE2 GLN 2 -7.893 -8.564 2.060 24 H THR 3 HN THR 3 -2.844 -3.401 3.629 25 HA THR 3 HA THR 3 -3.465 -2.363 0.922 26 HB THR 3 HB THR 3 -1.143 -1.694 2.804 27 HG1 THR 3 1HG THR 3 -2.880 -0.894 3.808 28 1HG2 THR 3 1HG2 THR 3 -0.837 -1.024 0.361 29 2HG2 THR 3 2HG2 THR 3 -2.359 -0.146 0.465 30 3HG2 THR 3 3HG2 THR 3 -0.984 0.359 1.444 31 QG2 THR 3 QG2 THR 3 -1.393 -0.271 0.756 32 H VAL 4 HN VAL 4 -2.425 -3.085 -0.899 33 HA VAL 4 HA VAL 4 -0.237 -5.113 -0.514 34 HB VAL 4 HB VAL 4 -2.057 -4.872 -2.936 35 1HG1 VAL 4 1HG1 VAL 4 -0.344 -7.121 -1.811 36 2HG1 VAL 4 2HG1 VAL 4 -1.337 -7.233 -3.261 37 3HG1 VAL 4 3HG1 VAL 4 0.041 -6.139 -3.222 38 1HG2 VAL 4 1HG2 VAL 4 -2.478 -6.633 -0.490 39 2HG2 VAL 4 2HG2 VAL 4 -3.509 -5.291 -0.981 40 3HG2 VAL 4 3HG2 VAL 4 -3.406 -6.732 -1.986 41 QG1 VAL 4 QG1 VAL 4 -0.547 -6.831 -2.765 42 QG2 VAL 4 QG2 VAL 4 -3.131 -6.219 -1.152 43 QQG VAL 4 QQG VAL 4 -1.839 -6.525 -1.958 44 H ILE 5 HN ILE 5 1.653 -4.254 -1.031 45 HA ILE 5 HA ILE 5 1.657 -2.059 -3.075 46 HB ILE 5 HB ILE 5 3.829 -2.743 -1.066 47 1HG1 ILE 5 2HG1 ILE 5 1.751 -2.058 0.122 48 2HG1 ILE 5 3HG1 ILE 5 3.013 -0.851 0.287 49 1HG2 ILE 5 1HG2 ILE 5 3.331 -0.324 -2.842 50 2HG2 ILE 5 2HG2 ILE 5 4.608 -0.439 -1.631 51 3HG2 ILE 5 3HG2 ILE 5 4.613 -1.513 -3.030 52 1HD1 ILE 5 3HD1 ILE 5 1.983 0.475 -1.533 53 2HD1 ILE 5 1HD1 ILE 5 0.703 -0.718 -1.679 54 3HD1 ILE 5 2HD1 ILE 5 0.864 0.231 -0.203 55 QG1 ILE 5 QG1 ILE 5 2.382 -1.454 0.205 56 QG2 ILE 5 QG2 ILE 5 4.184 -0.758 -2.501 57 QD1 ILE 5 QD1 ILE 5 1.183 -0.004 -1.138 58 H PHE 6 HN PHE 6 2.506 -2.517 -5.008 59 HA PHE 6 HA PHE 6 4.015 -5.056 -5.372 60 1HB PHE 6 2HB PHE 6 2.673 -3.230 -7.408 61 2HB PHE 6 3HB PHE 6 3.493 -4.732 -7.789 62 HD1 PHE 6 2HD PHE 6 0.589 -3.303 -5.987 63 HD2 PHE 6 1HD PHE 6 2.397 -6.849 -7.514 64 HE1 PHE 6 2HE PHE 6 -1.486 -4.548 -5.605 65 HE2 PHE 6 1HE PHE 6 0.312 -8.074 -7.125 66 HZ PHE 6 HZ PHE 6 -1.639 -6.920 -6.198 67 QB PHE 6 QB PHE 6 3.083 -3.981 -7.599 68 QR PHE 6 QR PHE 6 0.453 -5.694 -6.558 69 H GLY 7 HN GLY 7 6.076 -4.487 -4.868 70 1HA GLY 7 1HA GLY 7 7.269 -2.210 -6.409 71 2HA GLY 7 2HA GLY 7 7.827 -2.683 -4.811 72 QA GLY 7 QA GLY 7 7.548 -2.447 -5.610 73 NH1 ARG 8 NH2 ARG 8 6.868 -2.183 -8.772 74 NH2 ARG 8 NH1 ARG 8 5.435 -3.812 -9.433 75 H ARG 8 HN ARG 8 9.857 -2.755 -6.264 76 HA ARG 8 HA ARG 8 10.575 -5.511 -6.611 77 1HB ARG 8 2HB ARG 8 10.939 -5.405 -9.112 78 2HB ARG 8 3HB ARG 8 9.249 -5.364 -8.657 79 1HG ARG 8 2HG ARG 8 9.862 -2.671 -8.642 80 2HG ARG 8 3HG ARG 8 10.934 -3.253 -9.903 81 1HD ARG 8 2HD ARG 8 8.622 -2.508 -10.693 82 2HD ARG 8 3HD ARG 8 9.105 -4.124 -11.200 83 HE ARG 8 HE ARG 8 7.649 -5.035 -9.413 84 1HH1 ARG 8 2HH2 ARG 8 7.804 -1.836 -8.710 85 2HH1 ARG 8 1HH2 ARG 8 6.107 -1.649 -8.395 86 1HH2 ARG 8 2HH1 ARG 8 5.287 -4.737 -9.787 87 2HH2 ARG 8 1HH1 ARG 8 4.649 -3.244 -9.167 88 QB ARG 8 QB ARG 8 10.094 -5.385 -8.884 89 QG ARG 8 QG ARG 8 10.398 -2.962 -9.273 90 QD ARG 8 QD ARG 8 8.863 -3.316 -10.946 91 QH1 ARG 8 QH2 ARG 8 6.956 -1.742 -8.553 92 QH2 ARG 8 QH1 ARG 8 4.968 -3.991 -9.477 93 H SER 9 HN SER 9 12.814 -5.584 -7.732 94 HA SER 9 HA SER 9 14.374 -3.271 -6.707 95 1HB SER 9 2HB SER 9 16.357 -4.735 -7.096 96 2HB SER 9 3HB SER 9 15.145 -5.607 -6.133 97 HG SER 9 HG SER 9 15.489 -5.647 -8.964 98 QB SER 9 QB SER 9 15.751 -5.171 -6.615 99 H GLY 10 HN GLY 10 12.879 -2.507 -8.594 100 1HA GLY 10 1HA GLY 10 14.636 -2.083 -10.966 101 2HA GLY 10 2HA GLY 10 12.953 -2.544 -11.224 102 QA GLY 10 QA GLY 10 13.794 -2.313 -11.095 103 H CYS 11 HN CYS 11 11.838 -1.124 -9.037 104 HA CYS 11 HA CYS 11 11.921 1.599 -10.162 105 1HB CYS 11 2HB CYS 11 9.987 1.921 -8.546 106 2HB CYS 11 3HB CYS 11 9.726 0.748 -9.812 107 QB CYS 11 QB CYS 11 9.856 1.334 -9.179 108 HA PRO 12 HA PRO 12 13.255 3.127 -6.094 109 1HB PRO 12 2HB PRO 12 13.184 5.822 -7.057 110 2HB PRO 12 3HB PRO 12 14.625 4.851 -6.758 111 1HG PRO 12 2HG PRO 12 13.681 5.729 -9.301 112 2HG PRO 12 3HG PRO 12 14.968 4.557 -9.012 113 1HD PRO 12 2HD PRO 12 12.120 4.068 -9.771 114 2HD PRO 12 3HD PRO 12 13.558 3.060 -10.071 115 QB PRO 12 QB PRO 12 13.904 5.336 -6.907 116 QG PRO 12 QG PRO 12 14.325 5.143 -9.157 117 QD PRO 12 QD PRO 12 12.839 3.564 -9.921 118 OH TYR 13 OH TYR 13 5.131 9.748 -4.988 119 H TYR 13 HN TYR 13 12.085 5.072 -4.895 120 HA TYR 13 HA TYR 13 10.095 6.166 -4.255 121 1HB TYR 13 2HB TYR 13 9.908 6.469 -6.845 122 2HB TYR 13 3HB TYR 13 8.752 5.152 -6.763 123 HD1 TYR 13 HD1 TYR 13 8.200 6.693 -3.706 124 HD2 TYR 13 HD2 TYR 13 7.716 7.431 -7.861 125 HE1 TYR 13 HE1 TYR 13 6.422 8.297 -3.209 126 HE2 TYR 13 HE2 TYR 13 5.963 9.048 -7.368 127 HH TYR 13 HH TYR 13 5.461 10.584 -5.337 128 QB TYR 13 QB TYR 13 9.330 5.810 -6.804 129 QR TYR 13 QR TYR 13 7.075 7.867 -5.536 130 H CYS 14 HN CYS 14 9.799 2.907 -5.625 131 HA CYS 14 HA CYS 14 7.336 2.096 -4.570 132 1HB CYS 14 2HB CYS 14 8.943 -0.126 -4.123 133 2HB CYS 14 3HB CYS 14 8.022 0.226 -5.550 134 QB CYS 14 QB CYS 14 8.483 0.050 -4.837 135 H VAL 15 HN VAL 15 10.335 2.502 -2.797 136 HA VAL 15 HA VAL 15 9.592 1.120 -0.430 137 HB VAL 15 HB VAL 15 11.309 3.617 -0.703 138 1HG1 VAL 15 1HG1 VAL 15 10.576 3.147 1.649 139 2HG1 VAL 15 2HG1 VAL 15 11.190 1.502 1.490 140 3HG1 VAL 15 3HG1 VAL 15 12.304 2.866 1.431 141 1HG2 VAL 15 1HG2 VAL 15 12.021 1.680 -2.101 142 2HG2 VAL 15 2HG2 VAL 15 13.156 1.963 -0.785 143 3HG2 VAL 15 3HG2 VAL 15 11.989 0.646 -0.677 144 QG1 VAL 15 QG1 VAL 15 11.357 2.505 1.523 145 QG2 VAL 15 QG2 VAL 15 12.389 1.430 -1.188 146 QQG VAL 15 QQG VAL 15 11.873 1.967 0.168 147 NH1 ARG 16 NH2 ARG 16 7.123 9.304 0.499 148 NH2 ARG 16 NH1 ARG 16 6.366 7.498 1.639 149 H ARG 16 HN ARG 16 9.251 4.548 -1.247 150 HA ARG 16 HA ARG 16 8.114 5.702 0.930 151 1HB ARG 16 2HB ARG 16 7.256 5.960 -1.954 152 2HB ARG 16 3HB ARG 16 6.628 7.013 -0.712 153 1HG ARG 16 2HG ARG 16 9.407 6.856 -1.842 154 2HG ARG 16 3HG ARG 16 8.437 8.273 -1.503 155 1HD ARG 16 2HD ARG 16 9.998 6.560 0.463 156 2HD ARG 16 3HD ARG 16 10.211 8.266 0.120 157 HE ARG 16 HE ARG 16 8.873 7.705 2.298 158 1HH1 ARG 16 1HH2 ARG 16 7.894 9.844 0.161 159 2HH1 ARG 16 2HH2 ARG 16 6.185 9.601 0.325 160 1HH2 ARG 16 2HH1 ARG 16 6.566 6.657 2.172 161 2HH2 ARG 16 1HH1 ARG 16 5.420 7.767 1.463 162 QB ARG 16 QB ARG 16 6.942 6.486 -1.333 163 QG ARG 16 QG ARG 16 8.922 7.564 -1.672 164 QD ARG 16 QD ARG 16 10.104 7.413 0.291 165 QH1 ARG 16 QH2 ARG 16 7.040 9.722 0.243 166 QH2 ARG 16 QH1 ARG 16 5.993 7.212 1.817 167 H ALA 17 HN ALA 17 6.153 3.886 -1.387 168 HA ALA 17 HA ALA 17 3.700 4.122 0.087 169 1HB ALA 17 3HB ALA 17 4.639 1.913 -1.774 170 2HB ALA 17 1HB ALA 17 2.980 2.181 -1.261 171 3HB ALA 17 2HB ALA 17 3.793 3.378 -2.254 172 QB ALA 17 QB ALA 17 3.804 2.491 -1.763 173 H LYS 18 HN LYS 18 6.163 1.601 0.028 174 HA LYS 18 HA LYS 18 5.001 -0.186 1.876 175 1HB LYS 18 2HB LYS 18 6.859 -1.016 0.750 176 2HB LYS 18 3HB LYS 18 7.789 0.444 0.974 177 1HG LYS 18 2HG LYS 18 7.086 -1.035 3.456 178 2HG LYS 18 3HG LYS 18 8.234 -1.816 2.382 179 1HD LYS 18 2HD LYS 18 9.699 0.119 2.409 180 2HD LYS 18 3HD LYS 18 8.542 1.071 3.314 181 1HE LYS 18 2HE LYS 18 9.969 -1.425 4.282 182 2HE LYS 18 3HE LYS 18 10.267 0.222 4.819 183 1HZ LYS 18 3HZ LYS 18 7.538 -0.281 5.152 184 2HZ LYS 18 1HZ LYS 18 8.375 -1.610 5.793 185 3HZ LYS 18 2HZ LYS 18 8.720 -0.054 6.356 186 QB LYS 18 QB LYS 18 7.324 -0.286 0.862 187 QG LYS 18 QG LYS 18 7.660 -1.425 2.919 188 QD LYS 18 QD LYS 18 9.120 0.595 2.861 189 QE LYS 18 QE LYS 18 10.118 -0.602 4.550 190 QZ LYS 18 QZ LYS 18 8.211 -0.648 5.767 191 H ASP 19 HN ASP 19 7.187 2.610 2.579 192 HA ASP 19 HA ASP 19 6.997 2.150 5.424 193 1HB ASP 19 2HB ASP 19 7.748 4.600 5.589 194 2HB ASP 19 3HB ASP 19 8.863 3.472 4.862 195 QB ASP 19 QB ASP 19 8.305 4.036 5.226 196 H LEU 20 HN LEU 20 5.213 4.318 3.201 197 HA LEU 20 HA LEU 20 3.630 5.571 5.154 198 1HB LEU 20 2HB LEU 20 3.482 6.190 2.788 199 2HB LEU 20 3HB LEU 20 2.771 4.633 2.390 200 HG LEU 20 HG LEU 20 0.840 5.182 3.921 201 1HD1 LEU 20 2HD1 LEU 20 2.180 7.913 4.006 202 2HD1 LEU 20 3HD1 LEU 20 0.556 7.563 4.585 203 3HD1 LEU 20 1HD1 LEU 20 1.941 6.828 5.375 204 1HD2 LEU 20 2HD2 LEU 20 0.702 5.606 1.488 205 2HD2 LEU 20 3HD2 LEU 20 -0.232 6.781 2.405 206 3HD2 LEU 20 1HD2 LEU 20 1.336 7.228 1.737 207 QB LEU 20 QB LEU 20 3.127 5.412 2.589 208 QD1 LEU 20 QD1 LEU 20 1.559 7.435 4.655 209 QD2 LEU 20 QD2 LEU 20 0.602 6.539 1.877 210 QQD LEU 20 QQD LEU 20 1.080 6.987 3.266 211 H ALA 21 HN ALA 21 2.755 2.565 3.399 212 HA ALA 21 HA ALA 21 0.446 2.035 5.014 213 1HB ALA 21 1HB ALA 21 2.181 0.095 3.443 214 2HB ALA 21 2HB ALA 21 0.573 -0.262 4.069 215 3HB ALA 21 3HB ALA 21 0.778 0.960 2.819 216 QB ALA 21 QB ALA 21 1.177 0.264 3.444 217 H GLU 22 HN GLU 22 3.749 0.690 5.176 218 HA GLU 22 HA GLU 22 3.358 -1.011 7.386 219 1HB GLU 22 2HB GLU 22 5.458 -0.993 6.162 220 2HB GLU 22 3HB GLU 22 5.763 0.672 6.632 221 1HG GLU 22 2HG GLU 22 6.104 0.060 8.937 222 2HG GLU 22 3HG GLU 22 5.470 -1.562 8.668 223 QB GLU 22 QB GLU 22 5.610 -0.161 6.397 224 QG GLU 22 QG GLU 22 5.787 -0.751 8.803 225 H LYS 23 HN LYS 23 4.507 2.318 7.427 226 HA LYS 23 HA LYS 23 4.562 2.754 10.179 227 1HB LYS 23 2HB LYS 23 5.363 4.341 8.433 228 2HB LYS 23 3HB LYS 23 3.699 4.689 7.999 229 1HG LYS 23 2HG LYS 23 4.544 6.463 9.441 230 2HG LYS 23 3HG LYS 23 3.281 5.575 10.267 231 1HD LYS 23 2HD LYS 23 6.047 4.553 10.722 232 2HD LYS 23 3HD LYS 23 5.737 6.158 11.368 233 1HE LYS 23 2HE LYS 23 4.171 3.621 11.977 234 2HE LYS 23 3HE LYS 23 5.166 4.542 13.088 235 1HZ LYS 23 2HZ LYS 23 3.373 6.369 12.028 236 2HZ LYS 23 3HZ LYS 23 2.454 4.969 12.310 237 3HZ LYS 23 1HZ LYS 23 3.320 5.704 13.586 238 QB LYS 23 QB LYS 23 4.531 4.515 8.216 239 QG LYS 23 QG LYS 23 3.912 6.019 9.854 240 QD LYS 23 QD LYS 23 5.892 5.355 11.045 241 QE LYS 23 QE LYS 23 4.668 4.082 12.533 242 QZ LYS 23 QZ LYS 23 3.049 5.681 12.642 243 H LEU 24 HN LEU 24 1.805 3.410 7.996 244 HA LEU 24 HA LEU 24 -0.076 4.247 9.873 245 1HB LEU 24 2HB LEU 24 -0.476 2.529 7.418 246 2HB LEU 24 3HB LEU 24 -1.812 3.218 8.334 247 HG LEU 24 HG LEU 24 0.444 4.847 7.112 248 1HD1 LEU 24 2HD1 LEU 24 -1.007 3.783 5.400 249 2HD1 LEU 24 3HD1 LEU 24 -2.426 4.452 6.194 250 3HD1 LEU 24 1HD1 LEU 24 -1.246 5.523 5.443 251 1HD2 LEU 24 3HD2 LEU 24 -2.183 5.631 8.418 252 2HD2 LEU 24 1HD2 LEU 24 -0.574 5.927 9.070 253 3HD2 LEU 24 2HD2 LEU 24 -1.094 6.748 7.608 254 QB LEU 24 QB LEU 24 -1.144 2.873 7.876 255 QD1 LEU 24 QD1 LEU 24 -1.560 4.586 5.679 256 QD2 LEU 24 QD2 LEU 24 -1.283 6.102 8.365 257 QQD LEU 24 QQD LEU 24 -1.422 5.344 7.022 258 H SER 25 HN SER 25 0.547 0.846 9.055 259 HA SER 25 HA SER 25 -1.458 -0.360 10.584 260 1HB SER 25 2HB SER 25 -0.141 -2.351 10.684 261 2HB SER 25 3HB SER 25 0.416 -1.522 9.217 262 HG SER 25 HG SER 25 2.125 -0.669 10.355 263 QB SER 25 QB SER 25 0.137 -1.936 9.951 264 H ASN 26 HN ASN 26 1.171 1.465 11.870 265 HA ASN 26 HA ASN 26 0.772 0.359 14.616 266 1HB ASN 26 2HB ASN 26 2.770 2.423 13.621 267 2HB ASN 26 3HB ASN 26 2.780 1.658 15.196 268 1HD2 ASN 26 2HD2 ASN 26 3.504 -1.315 12.592 269 2HD2 ASN 26 1HD2 ASN 26 1.948 -0.679 12.815 270 QB ASN 26 QB ASN 26 2.775 2.040 14.408 271 QD2 ASN 26 QD2 ASN 26 2.726 -0.997 12.704 272 H GLU 27 HN GLU 27 -0.508 2.760 12.754 273 HA GLU 27 HA GLU 27 -1.005 4.614 15.046 274 1HB GLU 27 2HB GLU 27 -0.805 5.021 12.054 275 2HB GLU 27 3HB GLU 27 -1.681 6.174 13.041 276 1HG GLU 27 2HG GLU 27 0.221 6.930 14.131 277 2HG GLU 27 3HG GLU 27 1.080 5.413 13.926 278 QB GLU 27 QB GLU 27 -1.243 5.597 12.548 279 QG GLU 27 QG GLU 27 0.651 6.172 14.029 280 NH1 ARG 28 NH2 ARG 28 -6.987 6.985 10.520 281 NH2 ARG 28 NH1 ARG 28 -8.303 5.154 11.044 282 H ARG 28 HN ARG 28 -2.469 2.803 12.411 283 HA ARG 28 HA ARG 28 -5.135 3.797 13.202 284 1HB ARG 28 2HB ARG 28 -4.426 1.905 10.960 285 2HB ARG 28 3HB ARG 28 -5.948 2.760 11.146 286 1HG ARG 28 2HG ARG 28 -3.219 3.952 10.547 287 2HG ARG 28 3HG ARG 28 -4.631 3.943 9.504 288 1HD ARG 28 2HD ARG 28 -4.086 5.633 11.934 289 2HD ARG 28 3HD ARG 28 -4.713 6.107 10.364 290 HE ARG 28 HE ARG 28 -6.322 4.734 12.499 291 1HH1 ARG 28 2HH2 ARG 28 -6.105 7.445 10.573 292 2HH1 ARG 28 1HH2 ARG 28 -7.744 7.459 10.050 293 1HH2 ARG 28 2HH1 ARG 28 -8.403 4.236 11.483 294 2HH2 ARG 28 1HH1 ARG 28 -9.095 5.583 10.594 295 QB ARG 28 QB ARG 28 -5.187 2.332 11.053 296 QG ARG 28 QG ARG 28 -3.925 3.948 10.025 297 QD ARG 28 QD ARG 28 -4.399 5.870 11.149 298 QH1 ARG 28 QH2 ARG 28 -6.925 7.452 10.311 299 QH2 ARG 28 QH1 ARG 28 -8.749 4.909 11.039 300 H ASP 29 HN ASP 29 -6.849 1.980 12.651 301 HA ASP 29 HA ASP 29 -6.538 0.005 14.816 302 1HB ASP 29 2HB ASP 29 -9.054 -0.155 14.517 303 2HB ASP 29 3HB ASP 29 -8.481 1.452 14.937 304 QB ASP 29 QB ASP 29 -8.768 0.649 14.727 305 H ASP 30 HN ASP 30 -8.324 -0.237 11.689 306 HA ASP 30 HA ASP 30 -7.335 -3.041 11.503 307 1HB ASP 30 2HB ASP 30 -9.781 -2.761 11.409 308 2HB ASP 30 3HB ASP 30 -9.608 -1.634 10.070 309 QB ASP 30 QB ASP 30 -9.695 -2.198 10.739 310 H PHE 31 HN PHE 31 -5.278 -1.852 10.939 311 HA PHE 31 HA PHE 31 -5.198 -1.424 7.980 312 1HB PHE 31 2HB PHE 31 -4.852 0.672 9.408 313 2HB PHE 31 3HB PHE 31 -3.338 -0.052 9.939 314 HD1 PHE 31 1HD PHE 31 -1.642 -0.737 8.138 315 HD2 PHE 31 2HD PHE 31 -5.011 1.725 7.268 316 HE1 PHE 31 1HE PHE 31 -0.615 -0.082 6.017 317 HE2 PHE 31 2HE PHE 31 -3.935 2.435 5.167 318 HZ PHE 31 HZ PHE 31 -1.769 1.491 4.518 319 QB PHE 31 QB PHE 31 -4.095 0.310 9.673 320 QR PHE 31 QR PHE 31 -2.801 0.835 6.648 321 H GLN 32 HN GLN 32 -4.445 -3.319 7.332 322 HA GLN 32 HA GLN 32 -1.867 -4.333 8.460 323 1HB GLN 32 2HB GLN 32 -4.104 -5.870 7.055 324 2HB GLN 32 3HB GLN 32 -2.659 -6.581 7.772 325 1HG GLN 32 2HG GLN 32 -3.387 -6.052 9.997 326 2HG GLN 32 3HG GLN 32 -4.604 -4.920 9.418 327 1HE2 GLN 32 2HE2 GLN 32 -7.063 -7.423 9.307 328 2HE2 GLN 32 1HE2 GLN 32 -6.716 -5.774 9.452 329 QB GLN 32 QB GLN 32 -3.382 -6.226 7.414 330 QG GLN 32 QG GLN 32 -3.996 -5.486 9.708 331 QE2 GLN 32 QE2 GLN 32 -6.889 -6.598 9.379 332 OH TYR 33 OH TYR 33 5.095 -3.809 7.457 333 H TYR 33 HN TYR 33 -0.509 -5.376 6.645 334 HA TYR 33 HA TYR 33 -1.265 -4.647 3.918 335 1HB TYR 33 2HB TYR 33 0.475 -3.043 3.488 336 2HB TYR 33 3HB TYR 33 -0.354 -2.481 4.934 337 HD1 TYR 33 HD1 TYR 33 0.702 -2.812 7.177 338 HD2 TYR 33 HD2 TYR 33 2.772 -3.820 3.591 339 HE1 TYR 33 HE1 TYR 33 2.789 -3.055 8.439 340 HE2 TYR 33 HE2 TYR 33 4.841 -4.079 4.862 341 HH TYR 33 HH TYR 33 5.735 -3.109 7.245 342 QB TYR 33 QB TYR 33 0.060 -2.762 4.211 343 QR TYR 33 QR TYR 33 2.776 -3.441 6.017 344 H GLN 34 HN GLN 34 0.357 -5.254 2.376 345 HA GLN 34 HA GLN 34 2.306 -7.291 3.353 346 1HB GLN 34 2HB GLN 34 0.161 -8.382 2.564 347 2HB GLN 34 3HB GLN 34 0.412 -7.636 0.994 348 1HG GLN 34 2HG GLN 34 2.583 -8.854 0.774 349 2HG GLN 34 3HG GLN 34 2.289 -9.622 2.332 350 1HE2 GLN 34 2HE2 GLN 34 0.871 -11.562 -0.731 351 2HE2 GLN 34 1HE2 GLN 34 2.281 -10.616 -0.679 352 QB GLN 34 QB GLN 34 0.286 -8.009 1.779 353 QG GLN 34 QG GLN 34 2.436 -9.238 1.553 354 QE2 GLN 34 QE2 GLN 34 1.576 -11.089 -0.705 355 OH TYR 35 OH TYR 35 9.243 -3.335 -3.111 356 H TYR 35 HN TYR 35 4.248 -7.242 2.232 357 HA TYR 35 HA TYR 35 4.419 -5.157 0.098 358 1HB TYR 35 2HB TYR 35 6.131 -5.056 1.974 359 2HB TYR 35 3HB TYR 35 6.717 -6.638 1.454 360 HD1 TYR 35 HD2 TYR 35 5.839 -3.319 -0.111 361 HD2 TYR 35 HD1 TYR 35 8.532 -6.624 -0.075 362 HE1 TYR 35 HE2 TYR 35 7.137 -2.286 -1.920 363 HE2 TYR 35 HE1 TYR 35 9.801 -5.604 -1.904 364 HH TYR 35 HH TYR 35 10.034 -2.906 -2.763 365 QB TYR 35 QB TYR 35 6.424 -5.847 1.714 366 QR TYR 35 QR TYR 35 7.827 -4.459 -1.003 367 H VAL 36 HN VAL 36 4.796 -5.793 -1.963 368 HA VAL 36 HA VAL 36 5.245 -8.706 -2.386 369 HB VAL 36 HB VAL 36 3.056 -6.865 -3.177 370 1HG1 VAL 36 2HG1 VAL 36 4.115 -8.894 -5.189 371 2HG1 VAL 36 3HG1 VAL 36 2.588 -8.020 -5.308 372 3HG1 VAL 36 1HG1 VAL 36 4.110 -7.144 -5.398 373 1HG2 VAL 36 1HG2 VAL 36 3.334 -9.878 -2.944 374 2HG2 VAL 36 2HG2 VAL 36 2.740 -8.780 -1.703 375 3HG2 VAL 36 3HG2 VAL 36 1.813 -9.016 -3.181 376 QG1 VAL 36 QG1 VAL 36 3.604 -8.020 -5.298 377 QG2 VAL 36 QG2 VAL 36 2.629 -9.225 -2.609 378 QQG VAL 36 QQG VAL 36 3.117 -8.622 -3.954 379 H ASP 37 HN ASP 37 6.587 -9.292 -3.893 380 HA ASP 37 HA ASP 37 7.927 -7.218 -5.596 381 1HB ASP 37 2HB ASP 37 9.460 -8.312 -3.907 382 2HB ASP 37 3HB ASP 37 9.092 -9.868 -4.629 383 QB ASP 37 QB ASP 37 9.276 -9.090 -4.268 384 H ILE 38 HN ILE 38 7.457 -7.492 -7.641 385 HA ILE 38 HA ILE 38 5.689 -9.372 -8.697 386 HB ILE 38 HB ILE 38 6.482 -8.713 -10.930 387 1HG1 ILE 38 2HG1 ILE 38 8.714 -7.319 -9.399 388 2HG1 ILE 38 3HG1 ILE 38 8.882 -8.772 -10.363 389 1HG2 ILE 38 2HG2 ILE 38 5.006 -7.212 -9.617 390 2HG2 ILE 38 3HG2 ILE 38 6.421 -6.410 -8.941 391 3HG2 ILE 38 1HG2 ILE 38 6.078 -6.294 -10.670 392 1HD1 ILE 38 3HD1 ILE 38 8.173 -7.552 -12.392 393 2HD1 ILE 38 1HD1 ILE 38 7.984 -6.082 -11.441 394 3HD1 ILE 38 2HD1 ILE 38 9.580 -6.780 -11.661 395 QG1 ILE 38 QG1 ILE 38 8.798 -8.046 -9.881 396 QG2 ILE 38 QG2 ILE 38 5.835 -6.639 -9.743 397 QD1 ILE 38 QD1 ILE 38 8.579 -6.805 -11.832 398 NH1 ARG 39 NH2 ARG 39 13.461 -7.928 -7.656 399 NH2 ARG 39 NH1 ARG 39 15.286 -8.572 -8.869 400 H ARG 39 HN ARG 39 9.170 -9.677 -8.346 401 HA ARG 39 HA ARG 39 9.280 -12.135 -9.977 402 1HB ARG 39 2HB ARG 39 11.430 -11.108 -8.113 403 2HB ARG 39 3HB ARG 39 11.634 -12.137 -9.521 404 1HG ARG 39 2HG ARG 39 10.785 -10.203 -10.941 405 2HG ARG 39 3HG ARG 39 10.832 -9.207 -9.492 406 1HD ARG 39 2HD ARG 39 13.185 -10.604 -10.806 407 2HD ARG 39 3HD ARG 39 12.919 -8.866 -10.674 408 HE ARG 39 HE ARG 39 13.394 -10.620 -8.278 409 1HH1 ARG 39 2HH2 ARG 39 12.522 -8.128 -7.306 410 2HH1 ARG 39 1HH2 ARG 39 13.937 -7.086 -7.385 411 1HH2 ARG 39 2HH1 ARG 39 15.725 -9.243 -9.468 412 2HH2 ARG 39 1HH1 ARG 39 15.780 -7.742 -8.589 413 QB ARG 39 QB ARG 39 11.532 -11.623 -8.817 414 QG ARG 39 QG ARG 39 10.808 -9.705 -10.216 415 QD ARG 39 QD ARG 39 13.052 -9.735 -10.740 416 QH1 ARG 39 QH2 ARG 39 13.230 -7.607 -7.345 417 QH2 ARG 39 QH1 ARG 39 15.753 -8.493 -9.029 418 H ALA 40 HN ALA 40 8.055 -11.701 -6.977 419 HA ALA 40 HA ALA 40 9.150 -14.312 -5.971 420 1HB ALA 40 2HB ALA 40 9.577 -12.382 -4.461 421 2HB ALA 40 3HB ALA 40 7.848 -12.049 -4.414 422 3HB ALA 40 1HB ALA 40 8.471 -13.540 -3.723 423 QB ALA 40 QB ALA 40 8.632 -12.657 -4.199 424 H GLU 41 HN GLU 41 6.240 -12.319 -6.148 425 HA GLU 41 HA GLU 41 4.488 -14.508 -5.389 426 1HB GLU 41 2HB GLU 41 3.674 -11.980 -6.864 427 2HB GLU 41 3HB GLU 41 2.672 -12.986 -5.826 428 1HG GLU 41 2HG GLU 41 5.102 -11.406 -4.872 429 2HG GLU 41 3HG GLU 41 3.431 -10.903 -4.677 430 QB GLU 41 QB GLU 41 3.173 -12.483 -6.345 431 QG GLU 41 QG GLU 41 4.267 -11.154 -4.775 432 H GLY 42 HN GLY 42 5.655 -13.165 -8.414 433 1HA GLY 42 1HA GLY 42 5.862 -14.519 -10.418 434 2HA GLY 42 2HA GLY 42 4.562 -15.548 -9.830 435 QA GLY 42 QA GLY 42 5.212 -15.034 -10.124 436 H ILE 43 HN ILE 43 4.836 -12.034 -10.319 437 HA ILE 43 HA ILE 43 2.321 -12.215 -11.951 438 HB ILE 43 HB ILE 43 3.267 -9.980 -10.113 439 1HG1 ILE 43 2HG1 ILE 43 0.799 -11.744 -9.920 440 2HG1 ILE 43 3HG1 ILE 43 2.283 -12.061 -9.025 441 1HG2 ILE 43 1HG2 ILE 43 0.765 -10.203 -11.816 442 2HG2 ILE 43 2HG2 ILE 43 1.093 -8.916 -10.669 443 3HG2 ILE 43 3HG2 ILE 43 2.094 -9.083 -12.100 444 1HD1 ILE 43 2HD1 ILE 43 2.102 -9.783 -7.987 445 2HD1 ILE 43 3HD1 ILE 43 0.574 -9.550 -8.832 446 3HD1 ILE 43 1HD1 ILE 43 0.718 -10.804 -7.614 447 QG1 ILE 43 QG1 ILE 43 1.541 -11.902 -9.473 448 QG2 ILE 43 QG2 ILE 43 1.317 -9.401 -11.528 449 QD1 ILE 43 QD1 ILE 43 1.131 -10.045 -8.144 450 H THR 44 HN THR 44 2.193 -10.966 -13.794 451 HA THR 44 HA THR 44 4.725 -9.637 -14.668 452 HB THR 44 HB THR 44 4.064 -10.256 -16.999 453 HG1 THR 44 1HG THR 44 2.049 -10.794 -17.234 454 1HG2 THR 44 2HG2 THR 44 3.864 -12.616 -15.082 455 2HG2 THR 44 3HG2 THR 44 4.302 -12.700 -16.786 456 3HG2 THR 44 1HG2 THR 44 5.381 -11.920 -15.636 457 QG2 THR 44 QG2 THR 44 4.516 -12.412 -15.834 458 H LYS 45 HN LYS 45 4.170 -7.869 -16.407 459 HA LYS 45 HA LYS 45 2.528 -5.875 -15.214 460 1HB LYS 45 2HB LYS 45 4.268 -5.757 -17.234 461 2HB LYS 45 3HB LYS 45 2.834 -5.949 -18.224 462 1HG LYS 45 2HG LYS 45 3.366 -3.754 -16.189 463 2HG LYS 45 3HG LYS 45 3.348 -3.566 -17.924 464 1HD LYS 45 2HD LYS 45 0.942 -4.256 -16.185 465 2HD LYS 45 3HD LYS 45 1.273 -2.703 -16.913 466 1HE LYS 45 2HE LYS 45 0.696 -5.271 -18.439 467 2HE LYS 45 3HE LYS 45 -0.377 -3.890 -18.265 468 1HZ LYS 45 1HZ LYS 45 2.034 -2.892 -19.161 469 2HZ LYS 45 2HZ LYS 45 1.708 -4.253 -20.133 470 3HZ LYS 45 3HZ LYS 45 0.584 -2.966 -20.010 471 QB LYS 45 QB LYS 45 3.551 -5.853 -17.729 472 QG LYS 45 QG LYS 45 3.357 -3.660 -17.057 473 QD LYS 45 QD LYS 45 1.108 -3.480 -16.549 474 QE LYS 45 QE LYS 45 0.159 -4.580 -18.352 475 QZ LYS 45 QZ LYS 45 1.442 -3.370 -19.768 476 H GLU 46 HN GLU 46 1.854 -7.926 -17.999 477 HA GLU 46 HA GLU 46 -0.686 -7.329 -18.762 478 1HB GLU 46 2HB GLU 46 0.237 -10.162 -18.140 479 2HB GLU 46 3HB GLU 46 -1.093 -9.733 -19.197 480 1HG GLU 46 2HG GLU 46 0.459 -9.818 -20.863 481 2HG GLU 46 3HG GLU 46 0.971 -8.243 -20.277 482 QB GLU 46 QB GLU 46 -0.428 -9.948 -18.669 483 QG GLU 46 QG GLU 46 0.715 -9.031 -20.570 484 H ASP 47 HN ASP 47 -0.109 -9.661 -16.156 485 HA ASP 47 HA ASP 47 -2.707 -10.017 -15.207 486 1HB ASP 47 2HB ASP 47 -0.730 -11.255 -14.380 487 2HB ASP 47 3HB ASP 47 -0.150 -9.809 -13.572 488 QB ASP 47 QB ASP 47 -0.440 -10.532 -13.976 489 H LEU 48 HN LEU 48 -0.412 -7.667 -13.860 490 HA LEU 48 HA LEU 48 -2.168 -6.416 -12.055 491 1HB LEU 48 2HB LEU 48 0.169 -5.269 -13.606 492 2HB LEU 48 3HB LEU 48 -0.653 -4.386 -12.328 493 HG LEU 48 HG LEU 48 0.490 -7.177 -11.926 494 1HD1 LEU 48 2HD1 LEU 48 2.316 -5.593 -12.494 495 2HD1 LEU 48 3HD1 LEU 48 1.741 -4.488 -11.249 496 3HD1 LEU 48 1HD1 LEU 48 2.386 -6.064 -10.802 497 1HD2 LEU 48 3HD2 LEU 48 -1.271 -6.430 -10.306 498 2HD2 LEU 48 1HD2 LEU 48 0.301 -6.577 -9.530 499 3HD2 LEU 48 2HD2 LEU 48 -0.321 -4.990 -9.966 500 QB LEU 48 QB LEU 48 -0.242 -4.827 -12.967 501 QD1 LEU 48 QD1 LEU 48 2.147 -5.382 -11.515 502 QD2 LEU 48 QD2 LEU 48 -0.430 -5.999 -9.934 503 QQD LEU 48 QQD LEU 48 0.859 -5.691 -10.724 504 H GLN 49 HN GLN 49 -1.663 -5.626 -15.465 505 HA GLN 49 HA GLN 49 -3.190 -3.321 -15.769 506 1HB GLN 49 2HB GLN 49 -2.078 -4.843 -17.557 507 2HB GLN 49 3HB GLN 49 -3.600 -5.702 -17.601 508 1HG GLN 49 2HG GLN 49 -3.296 -2.718 -18.081 509 2HG GLN 49 3HG GLN 49 -3.446 -3.935 -19.341 510 1HE2 GLN 49 2HE2 GLN 49 -6.777 -2.405 -17.898 511 2HE2 GLN 49 1HE2 GLN 49 -5.244 -1.672 -17.862 512 QB GLN 49 QB GLN 49 -2.839 -5.272 -17.579 513 QG GLN 49 QG GLN 49 -3.371 -3.326 -18.711 514 QE2 GLN 49 QE2 GLN 49 -6.011 -2.039 -17.880 515 H GLN 50 HN GLN 50 -4.464 -6.618 -15.843 516 HA GLN 50 HA GLN 50 -7.200 -6.116 -16.105 517 1HB GLN 50 2HB GLN 50 -5.850 -8.357 -15.904 518 2HB GLN 50 3HB GLN 50 -6.242 -8.243 -14.198 519 1HG GLN 50 2HG GLN 50 -8.700 -7.784 -15.121 520 2HG GLN 50 3HG GLN 50 -8.086 -8.630 -16.537 521 1HE2 GLN 50 2HE2 GLN 50 -8.422 -11.766 -14.993 522 2HE2 GLN 50 1HE2 GLN 50 -8.247 -10.883 -16.429 523 QB GLN 50 QB GLN 50 -6.046 -8.300 -15.051 524 QG GLN 50 QG GLN 50 -8.393 -8.207 -15.829 525 QE2 GLN 50 QE2 GLN 50 -8.335 -11.325 -15.711 526 H LYS 51 HN LYS 51 -5.284 -5.812 -13.199 527 HA LYS 51 HA LYS 51 -7.694 -5.464 -11.535 528 1HB LYS 51 2HB LYS 51 -4.808 -5.907 -10.997 529 2HB LYS 51 3HB LYS 51 -5.730 -5.061 -9.772 530 1HG LYS 51 2HG LYS 51 -7.144 -6.846 -9.341 531 2HG LYS 51 3HG LYS 51 -6.962 -7.529 -10.944 532 1HD LYS 51 2HD LYS 51 -4.895 -7.581 -8.707 533 2HD LYS 51 3HD LYS 51 -5.823 -8.954 -9.296 534 1HE LYS 51 2HE LYS 51 -3.611 -7.447 -10.708 535 2HE LYS 51 3HE LYS 51 -3.731 -9.166 -10.386 536 1HZ LYS 51 1HZ LYS 51 -5.970 -8.533 -11.894 537 2HZ LYS 51 2HZ LYS 51 -4.653 -7.742 -12.635 538 3HZ LYS 51 3HZ LYS 51 -4.568 -9.406 -12.375 539 QB LYS 51 QB LYS 51 -5.269 -5.484 -10.384 540 QG LYS 51 QG LYS 51 -7.053 -7.188 -10.143 541 QD LYS 51 QD LYS 51 -5.359 -8.267 -9.001 542 QE LYS 51 QE LYS 51 -3.671 -8.307 -10.547 543 QZ LYS 51 QZ LYS 51 -5.064 -8.560 -12.301 544 H ALA 52 HN ALA 52 -5.155 -3.582 -12.971 545 HA ALA 52 HA ALA 52 -5.622 -1.167 -11.430 546 1HB ALA 52 1HB ALA 52 -4.390 -1.505 -14.190 547 2HB ALA 52 2HB ALA 52 -4.286 -0.055 -13.192 548 3HB ALA 52 3HB ALA 52 -3.504 -1.542 -12.670 549 QB ALA 52 QB ALA 52 -4.060 -1.034 -13.351 550 H GLY 53 HN GLY 53 -6.650 -2.315 -14.606 551 1HA GLY 53 1HA GLY 53 -8.980 -1.872 -15.345 552 2HA GLY 53 2HA GLY 53 -8.894 -0.315 -14.520 553 QA GLY 53 QA GLY 53 -8.937 -1.094 -14.933 554 H LYS 54 HN LYS 54 -6.600 0.704 -15.278 555 HA LYS 54 HA LYS 54 -7.008 1.266 -18.168 556 1HB LYS 54 2HB LYS 54 -6.951 3.092 -16.407 557 2HB LYS 54 3HB LYS 54 -5.280 2.661 -16.081 558 1HG LYS 54 2HG LYS 54 -4.630 3.290 -18.366 559 2HG LYS 54 3HG LYS 54 -6.317 3.550 -18.793 560 1HD LYS 54 2HD LYS 54 -6.032 5.703 -18.200 561 2HD LYS 54 3HD LYS 54 -6.020 5.149 -16.536 562 1HE LYS 54 2HE LYS 54 -3.635 5.695 -18.328 563 2HE LYS 54 3HE LYS 54 -4.057 6.493 -16.819 564 1HZ LYS 54 1HZ LYS 54 -3.766 3.675 -16.468 565 2HZ LYS 54 2HZ LYS 54 -2.371 4.339 -17.129 566 3HZ LYS 54 3HZ LYS 54 -2.969 4.949 -15.659 567 QB LYS 54 QB LYS 54 -6.115 2.877 -16.244 568 QG LYS 54 QG LYS 54 -5.474 3.420 -18.579 569 QD LYS 54 QD LYS 54 -6.026 5.426 -17.368 570 QE LYS 54 QE LYS 54 -3.846 6.094 -17.574 571 QZ LYS 54 QZ LYS 54 -3.035 4.321 -16.419 572 HA PRO 55 HA PRO 55 -2.721 -0.165 -19.453 573 1HB PRO 55 2HB PRO 55 -2.753 2.804 -19.982 574 2HB PRO 55 3HB PRO 55 -2.072 1.504 -20.969 575 1HG PRO 55 2HG PRO 55 -4.524 2.659 -21.503 576 2HG PRO 55 3HG PRO 55 -4.118 1.002 -21.954 577 1HD PRO 55 2HD PRO 55 -6.033 1.909 -19.924 578 2HD PRO 55 3HD PRO 55 -5.774 0.267 -20.538 579 QB PRO 55 QB PRO 55 -2.412 2.154 -20.475 580 QG PRO 55 QG PRO 55 -4.321 1.830 -21.729 581 QD PRO 55 QD PRO 55 -5.904 1.088 -20.231 582 H VAL 56 HN VAL 56 -1.253 -0.393 -17.873 583 HA VAL 56 HA VAL 56 -0.986 1.793 -15.873 584 HB VAL 56 HB VAL 56 -2.430 -0.118 -15.108 585 1HG1 VAL 56 2HG1 VAL 56 -1.246 -1.975 -16.198 586 2HG1 VAL 56 3HG1 VAL 56 0.164 -1.698 -15.184 587 3HG1 VAL 56 1HG1 VAL 56 -1.344 -2.241 -14.463 588 1HG2 VAL 56 1HG2 VAL 56 0.127 0.395 -13.564 589 2HG2 VAL 56 2HG2 VAL 56 -1.341 1.356 -13.498 590 3HG2 VAL 56 3HG2 VAL 56 -1.342 -0.291 -12.884 591 QG1 VAL 56 QG1 VAL 56 -0.809 -1.971 -15.282 592 QG2 VAL 56 QG2 VAL 56 -0.852 0.487 -13.316 593 QQG VAL 56 QQG VAL 56 -0.830 -0.742 -14.299 594 H GLU 57 HN GLU 57 0.694 1.639 -17.991 595 HA GLU 57 HA GLU 57 3.142 0.222 -17.197 596 1HB GLU 57 2HB GLU 57 3.350 2.311 -19.293 597 2HB GLU 57 3HB GLU 57 3.937 0.659 -19.296 598 1HG GLU 57 2HG GLU 57 1.010 1.418 -19.679 599 2HG GLU 57 3HG GLU 57 2.125 1.058 -20.983 600 QB GLU 57 QB GLU 57 3.644 1.485 -19.294 601 QG GLU 57 QG GLU 57 1.568 1.238 -20.331 602 H THR 58 HN THR 58 2.484 1.606 -15.175 603 HA THR 58 HA THR 58 4.586 3.651 -14.907 604 HB THR 58 HB THR 58 1.716 4.219 -13.998 605 HG1 THR 58 1HG THR 58 3.038 4.428 -16.413 606 1HG2 THR 58 1HG2 THR 58 4.156 6.026 -14.408 607 2HG2 THR 58 2HG2 THR 58 2.584 6.531 -13.797 608 3HG2 THR 58 3HG2 THR 58 3.604 5.467 -12.827 609 QG2 THR 58 QG2 THR 58 3.448 6.008 -13.677 610 H VAL 59 HN VAL 59 5.682 2.364 -13.517 611 HA VAL 59 HA VAL 59 4.204 1.279 -11.148 612 HB VAL 59 HB VAL 59 5.850 0.010 -13.083 613 1HG1 VAL 59 1HG1 VAL 59 7.851 0.810 -11.903 614 2HG1 VAL 59 2HG1 VAL 59 7.274 0.087 -10.408 615 3HG1 VAL 59 3HG1 VAL 59 7.702 -0.934 -11.773 616 1HG2 VAL 59 1HG2 VAL 59 4.917 -1.043 -10.391 617 2HG2 VAL 59 2HG2 VAL 59 4.009 -1.073 -11.891 618 3HG2 VAL 59 3HG2 VAL 59 5.480 -2.021 -11.735 619 QG1 VAL 59 QG1 VAL 59 7.609 -0.012 -11.362 620 QG2 VAL 59 QG2 VAL 59 4.802 -1.379 -11.339 621 QQG VAL 59 QQG VAL 59 6.205 -0.696 -11.350 622 HA PRO 60 HA PRO 60 5.518 0.190 -9.152 623 1HB PRO 60 2HB PRO 60 4.999 1.104 -6.550 624 2HB PRO 60 3HB PRO 60 6.529 0.439 -7.125 625 1HG PRO 60 2HG PRO 60 5.944 3.199 -6.399 626 2HG PRO 60 3HG PRO 60 7.497 2.495 -6.863 627 1HD PRO 60 2HD PRO 60 5.662 4.119 -8.484 628 2HD PRO 60 3HD PRO 60 7.338 3.650 -8.838 629 QB PRO 60 QB PRO 60 5.764 0.772 -6.838 630 QG PRO 60 QG PRO 60 6.720 2.847 -6.631 631 QD PRO 60 QD PRO 60 6.500 3.885 -8.661 632 H GLN 61 HN GLN 61 3.481 -0.507 -7.787 633 HA GLN 61 HA GLN 61 1.190 1.298 -8.520 634 1HB GLN 61 2HB GLN 61 1.346 -1.732 -8.765 635 2HB GLN 61 3HB GLN 61 -0.138 -0.811 -8.949 636 1HG GLN 61 2HG GLN 61 0.837 0.415 -10.860 637 2HG GLN 61 3HG GLN 61 2.350 -0.458 -10.656 638 1HE2 GLN 61 2HE2 GLN 61 0.547 -2.357 -13.240 639 2HE2 GLN 61 1HE2 GLN 61 1.395 -0.892 -13.102 640 QB GLN 61 QB GLN 61 0.604 -1.271 -8.857 641 QG GLN 61 QG GLN 61 1.593 -0.022 -10.758 642 QE2 GLN 61 QE2 GLN 61 0.971 -1.624 -13.171 643 H ILE 62 HN ILE 62 -0.528 1.383 -7.060 644 HA ILE 62 HA ILE 62 -0.095 -0.046 -4.449 645 HB ILE 62 HB ILE 62 -1.554 2.600 -4.792 646 1HG1 ILE 62 2HG1 ILE 62 0.820 2.822 -5.571 647 2HG1 ILE 62 3HG1 ILE 62 0.457 3.784 -4.153 648 1HG2 ILE 62 1HG2 ILE 62 -0.319 1.158 -2.417 649 2HG2 ILE 62 2HG2 ILE 62 -1.024 2.764 -2.349 650 3HG2 ILE 62 3HG2 ILE 62 -2.036 1.376 -2.733 651 1HD1 ILE 62 2HD1 ILE 62 1.824 1.068 -4.114 652 2HD1 ILE 62 3HD1 ILE 62 2.635 2.619 -3.935 653 3HD1 ILE 62 1HD1 ILE 62 1.503 2.078 -2.710 654 QG1 ILE 62 QG1 ILE 62 0.639 3.303 -4.862 655 QG2 ILE 62 QG2 ILE 62 -1.126 1.766 -2.500 656 QD1 ILE 62 QD1 ILE 62 1.988 1.921 -3.586 657 H PHE 63 HN PHE 63 -1.763 -1.236 -3.720 658 HA PHE 63 HA PHE 63 -4.480 -0.852 -4.915 659 1HB PHE 63 2HB PHE 63 -2.772 -3.310 -4.825 660 2HB PHE 63 3HB PHE 63 -4.516 -3.491 -4.680 661 HD1 PHE 63 2HD PHE 63 -1.905 -1.912 -6.891 662 HD2 PHE 63 1HD PHE 63 -5.851 -3.470 -6.569 663 HE1 PHE 63 2HE PHE 63 -2.218 -1.623 -9.309 664 HE2 PHE 63 1HE PHE 63 -6.169 -3.163 -8.964 665 HZ PHE 63 HZ PHE 63 -4.341 -2.280 -10.357 666 QB PHE 63 QB PHE 63 -3.644 -3.401 -4.752 667 QR PHE 63 QR PHE 63 -4.036 -2.542 -7.933 668 H VAL 64 HN VAL 64 -6.095 -0.871 -3.388 669 HA VAL 64 HA VAL 64 -5.298 -1.776 -0.637 670 HB VAL 64 HB VAL 64 -7.741 -0.177 -1.522 671 1HG1 VAL 64 2HG1 VAL 64 -6.734 -0.940 1.246 672 2HG1 VAL 64 3HG1 VAL 64 -8.122 0.092 0.912 673 3HG1 VAL 64 1HG1 VAL 64 -8.164 -1.613 0.474 674 1HG2 VAL 64 1HG2 VAL 64 -5.556 1.040 -1.588 675 2HG2 VAL 64 2HG2 VAL 64 -6.605 1.665 -0.331 676 3HG2 VAL 64 3HG2 VAL 64 -5.273 0.589 0.081 677 QG1 VAL 64 QG1 VAL 64 -7.674 -0.820 0.877 678 QG2 VAL 64 QG2 VAL 64 -5.811 1.098 -0.613 679 QQG VAL 64 QQG VAL 64 -6.742 0.139 0.132 680 H ASP 65 HN ASP 65 -5.948 -3.721 -0.015 681 HA ASP 65 HA ASP 65 -6.874 -5.830 -0.102 682 1HB ASP 65 2HB ASP 65 -9.213 -3.960 -0.398 683 2HB ASP 65 3HB ASP 65 -9.469 -5.704 -0.420 684 QB ASP 65 QB ASP 65 -9.341 -4.832 -0.409 685 H GLN 66 HN GLN 66 -9.060 -4.495 -2.502 686 HA GLN 66 HA GLN 66 -7.731 -6.155 -4.564 687 1HB GLN 66 2HB GLN 66 -10.691 -6.286 -3.891 688 2HB GLN 66 3HB GLN 66 -9.946 -7.072 -5.276 689 1HG GLN 66 2HG GLN 66 -8.456 -8.349 -3.729 690 2HG GLN 66 3HG GLN 66 -9.248 -7.587 -2.354 691 1HE2 GLN 66 2HE2 GLN 66 -11.719 -10.078 -2.326 692 2HE2 GLN 66 1HE2 GLN 66 -10.753 -8.986 -1.451 693 QB GLN 66 QB GLN 66 -10.319 -6.679 -4.583 694 QG GLN 66 QG GLN 66 -8.852 -7.968 -3.042 695 QE2 GLN 66 QE2 GLN 66 -11.236 -9.532 -1.888 696 H GLN 67 HN GLN 67 -8.573 -3.138 -3.897 697 HA GLN 67 HA GLN 67 -9.652 -2.545 -6.598 698 1HB GLN 67 2HB GLN 67 -10.110 -0.282 -5.502 699 2HB GLN 67 3HB GLN 67 -11.079 -1.610 -4.902 700 1HG GLN 67 2HG GLN 67 -9.741 -1.778 -2.913 701 2HG GLN 67 3HG GLN 67 -8.470 -0.775 -3.588 702 1HE2 GLN 67 2HE2 GLN 67 -11.193 0.989 -1.366 703 2HE2 GLN 67 1HE2 GLN 67 -10.822 -0.668 -1.329 704 QB GLN 67 QB GLN 67 -10.595 -0.946 -5.202 705 QG GLN 67 QG GLN 67 -9.105 -1.276 -3.251 706 QE2 GLN 67 QE2 GLN 67 -11.008 0.161 -1.347 707 H HIS 68 HN HIS 68 -8.682 -0.845 -7.799 708 HA HIS 68 HA HIS 68 -5.770 -0.614 -7.363 709 1HB HIS 68 2HB HIS 68 -6.670 -0.963 -9.635 710 2HB HIS 68 3HB HIS 68 -7.609 0.500 -9.506 711 HD1 HIS 68 HD1 HIS 68 -6.364 1.534 -11.472 712 HD2 HIS 68 HD2 HIS 68 -3.797 0.547 -8.401 713 HE1 HIS 68 HE1 HIS 68 -4.260 2.919 -11.791 714 QB HIS 68 QB HIS 68 -7.139 -0.231 -9.571 715 H ILE 69 HN ILE 69 -4.734 1.353 -6.816 716 HA ILE 69 HA ILE 69 -6.609 3.511 -5.929 717 HB ILE 69 HB ILE 69 -3.772 3.111 -4.947 718 1HG1 ILE 69 2HG1 ILE 69 -4.992 1.002 -4.568 719 2HG1 ILE 69 3HG1 ILE 69 -4.670 1.835 -3.067 720 1HG2 ILE 69 1HG2 ILE 69 -6.245 4.431 -3.779 721 2HG2 ILE 69 2HG2 ILE 69 -4.692 4.289 -2.968 722 3HG2 ILE 69 3HG2 ILE 69 -4.831 5.253 -4.431 723 1HD1 ILE 69 3HD1 ILE 69 -7.324 1.935 -4.571 724 2HD1 ILE 69 1HD1 ILE 69 -7.007 0.945 -3.160 725 3HD1 ILE 69 2HD1 ILE 69 -6.995 2.692 -3.017 726 QG1 ILE 69 QG1 ILE 69 -4.831 1.419 -3.818 727 QG2 ILE 69 QG2 ILE 69 -5.256 4.658 -3.726 728 QD1 ILE 69 QD1 ILE 69 -7.109 1.857 -3.582 729 H GLY 70 HN GLY 70 -3.631 2.844 -7.660 730 1HA GLY 70 1HA GLY 70 -3.492 4.487 -9.675 731 2HA GLY 70 2HA GLY 70 -3.442 5.721 -8.420 732 QA GLY 70 QA GLY 70 -3.467 5.104 -9.048 733 H GLY 71 HN GLY 71 -1.387 6.446 -8.218 734 1HA GLY 71 1HA GLY 71 0.841 4.480 -8.594 735 2HA GLY 71 2HA GLY 71 0.994 6.205 -8.878 736 QA GLY 71 QA GLY 71 0.917 5.343 -8.736 737 OH TYR 72 OH TYR 72 3.977 8.384 0.662 738 H TYR 72 HN TYR 72 0.210 7.440 -6.657 739 HA TYR 72 HA TYR 72 1.029 6.068 -4.240 740 1HB TYR 72 2HB TYR 72 3.293 6.358 -5.134 741 2HB TYR 72 3HB TYR 72 3.002 8.071 -5.423 742 HD1 TYR 72 HD1 TYR 72 2.680 9.617 -3.488 743 HD2 TYR 72 HD2 TYR 72 3.833 5.561 -2.875 744 HE1 TYR 72 HE1 TYR 72 3.149 10.104 -1.136 745 HE2 TYR 72 HE2 TYR 72 4.308 6.065 -0.517 746 HH TYR 72 HH TYR 72 3.236 8.013 1.169 747 QB TYR 72 QB TYR 72 3.147 7.214 -5.278 748 QR TYR 72 QR TYR 72 3.493 7.837 -2.004 749 H THR 73 HN THR 73 1.173 9.339 -5.613 750 HA THR 73 HA THR 73 0.439 10.902 -3.437 751 HB THR 73 HB THR 73 -0.846 12.279 -5.326 752 HG1 THR 73 1HG THR 73 -1.236 10.812 -6.856 753 1HG2 THR 73 3HG2 THR 73 1.645 12.630 -4.763 754 2HG2 THR 73 1HG2 THR 73 2.022 11.362 -5.928 755 3HG2 THR 73 2HG2 THR 73 1.273 12.863 -6.467 756 QG2 THR 73 QG2 THR 73 1.647 12.285 -5.719 757 H ASP 74 HN ASP 74 -1.596 9.197 -5.659 758 HA ASP 74 HA ASP 74 -4.166 9.671 -4.671 759 1HB ASP 74 2HB ASP 74 -4.491 7.150 -5.484 760 2HB ASP 74 3HB ASP 74 -4.139 8.420 -6.645 761 QB ASP 74 QB ASP 74 -4.315 7.785 -6.064 762 H PHE 75 HN PHE 75 -2.375 6.668 -3.952 763 HA PHE 75 HA PHE 75 -4.008 5.880 -1.794 764 1HB PHE 75 2HB PHE 75 -2.278 4.430 -2.833 765 2HB PHE 75 3HB PHE 75 -1.026 5.382 -2.042 766 HD1 PHE 75 2HD PHE 75 -4.156 3.442 -1.202 767 HD2 PHE 75 1HD PHE 75 -0.321 4.747 0.084 768 HE1 PHE 75 2HE PHE 75 -4.390 2.138 0.863 769 HE2 PHE 75 1HE PHE 75 -0.576 3.478 2.165 770 HZ PHE 75 HZ PHE 75 -2.603 2.135 2.538 771 QB PHE 75 QB PHE 75 -1.652 4.906 -2.438 772 QR PHE 75 QR PHE 75 -2.361 3.451 0.478 773 H ALA 76 HN ALA 76 -1.210 8.029 -1.743 774 HA ALA 76 HA ALA 76 -0.944 8.326 1.064 775 1HB ALA 76 1HB ALA 76 0.681 9.222 -0.581 776 2HB ALA 76 2HB ALA 76 -0.491 10.433 -1.078 777 3HB ALA 76 3HB ALA 76 0.175 10.468 0.553 778 QB ALA 76 QB ALA 76 0.122 10.041 -0.369 779 H ALA 77 HN ALA 77 -2.724 10.500 -1.142 780 HA ALA 77 HA ALA 77 -3.980 11.949 1.066 781 1HB ALA 77 1HB ALA 77 -4.791 11.734 -1.875 782 2HB ALA 77 2HB ALA 77 -5.421 12.913 -0.726 783 3HB ALA 77 3HB ALA 77 -3.728 12.962 -1.198 784 QB ALA 77 QB ALA 77 -4.647 12.536 -1.266 785 CH2 TRP 78 CH2 TRP 78 -7.313 3.010 1.701 786 H TRP 78 HN TRP 78 -5.040 9.498 -1.213 787 HA TRP 78 HA TRP 78 -7.659 9.032 -0.480 788 1HB TRP 78 2HB TRP 78 -6.618 7.704 -2.194 789 2HB TRP 78 3HB TRP 78 -5.440 7.082 -1.080 790 HD1 TRP 78 HD1 TRP 78 -9.102 6.561 -2.138 791 HE1 TRP 78 HE1 TRP 78 -10.037 4.553 -0.990 792 HE3 TRP 78 HE3 TRP 78 -5.170 5.455 0.723 793 HZ2 TRP 78 HZ2 TRP 78 -9.275 2.681 0.917 794 HZ3 TRP 78 HZ3 TRP 78 -5.339 3.557 2.301 795 HH2 TRP 78 HH2 TRP 78 -7.360 2.168 2.377 796 QB TRP 78 QB TRP 78 -6.029 7.393 -1.637 797 H VAL 79 HN VAL 79 -4.786 7.634 1.080 798 HA VAL 79 HA VAL 79 -5.866 6.211 3.188 799 HB VAL 79 HB VAL 79 -3.417 7.971 2.976 800 1HG1 VAL 79 3HG1 VAL 79 -4.290 6.528 5.490 801 2HG1 VAL 79 1HG1 VAL 79 -2.695 7.219 5.236 802 3HG1 VAL 79 2HG1 VAL 79 -4.101 8.264 5.321 803 1HG2 VAL 79 1HG2 VAL 79 -3.426 5.674 1.994 804 2HG2 VAL 79 2HG2 VAL 79 -2.245 5.829 3.283 805 3HG2 VAL 79 3HG2 VAL 79 -3.778 5.015 3.580 806 QG1 VAL 79 QG1 VAL 79 -3.696 7.337 5.349 807 QG2 VAL 79 QG2 VAL 79 -3.150 5.506 2.952 808 QQG VAL 79 QQG VAL 79 -3.423 6.422 4.150 809 H LYS 80 HN LYS 80 -4.944 9.629 3.488 810 HA LYS 80 HA LYS 80 -6.241 10.232 5.887 811 1HB LYS 80 2HB LYS 80 -4.781 11.630 4.156 812 2HB LYS 80 3HB LYS 80 -6.327 12.222 3.619 813 1HG LYS 80 2HG LYS 80 -5.162 12.391 6.429 814 2HG LYS 80 3HG LYS 80 -5.385 13.727 5.322 815 1HD LYS 80 2HD LYS 80 -7.669 12.091 6.468 816 2HD LYS 80 3HD LYS 80 -7.100 13.580 7.174 817 1HE LYS 80 2HE LYS 80 -8.477 14.716 5.809 818 2HE LYS 80 3HE LYS 80 -7.515 14.172 4.443 819 1HZ LYS 80 2HZ LYS 80 -9.235 12.091 5.247 820 2HZ LYS 80 3HZ LYS 80 -10.158 13.508 5.065 821 3HZ LYS 80 1HZ LYS 80 -9.173 12.945 3.768 822 QB LYS 80 QB LYS 80 -5.554 11.926 3.888 823 QG LYS 80 QG LYS 80 -5.273 13.059 5.876 824 QD LYS 80 QD LYS 80 -7.385 12.836 6.821 825 QE LYS 80 QE LYS 80 -7.996 14.444 5.126 826 QZ LYS 80 QZ LYS 80 -9.522 12.848 4.693 827 H GLU 81 HN GLU 81 -7.672 10.605 2.629 828 HA GLU 81 HA GLU 81 -10.274 11.379 3.569 829 1HB GLU 81 2HB GLU 81 -9.300 10.185 0.972 830 2HB GLU 81 3HB GLU 81 -11.007 10.484 1.239 831 1HG GLU 81 2HG GLU 81 -10.139 12.411 0.099 832 2HG GLU 81 3HG GLU 81 -10.412 12.902 1.762 833 QB GLU 81 QB GLU 81 -10.154 10.335 1.106 834 QG GLU 81 QG GLU 81 -10.276 12.656 0.931 835 H ASN 82 HN ASN 82 -8.891 8.218 3.543 836 HA ASN 82 HA ASN 82 -11.655 7.091 3.828 837 1HB ASN 82 2HB ASN 82 -9.036 5.772 3.049 838 2HB ASN 82 3HB ASN 82 -10.495 4.861 3.417 839 1HD2 ASN 82 2HD2 ASN 82 -10.464 7.169 0.021 840 2HD2 ASN 82 1HD2 ASN 82 -9.534 7.659 1.362 841 QB ASN 82 QB ASN 82 -9.766 5.316 3.233 842 QD2 ASN 82 QD2 ASN 82 -9.999 7.414 0.692 843 H LEU 83 HN LEU 83 -8.563 7.255 5.460 844 HA LEU 83 HA LEU 83 -9.554 5.439 7.569 845 1HB LEU 83 2HB LEU 83 -6.890 6.881 7.460 846 2HB LEU 83 3HB LEU 83 -7.303 5.482 8.438 847 HG LEU 83 HG LEU 83 -7.037 5.575 5.409 848 1HD1 LEU 83 1HD1 LEU 83 -4.945 5.345 6.793 849 2HD1 LEU 83 2HD1 LEU 83 -5.627 3.894 7.505 850 3HD1 LEU 83 3HD1 LEU 83 -5.267 3.941 5.784 851 1HD2 LEU 83 2HD2 LEU 83 -7.978 3.296 7.195 852 2HD2 LEU 83 3HD2 LEU 83 -8.970 4.143 6.011 853 3HD2 LEU 83 1HD2 LEU 83 -7.618 3.155 5.480 854 QB LEU 83 QB LEU 83 -7.096 6.181 7.949 855 QD1 LEU 83 QD1 LEU 83 -5.280 4.394 6.694 856 QD2 LEU 83 QD2 LEU 83 -8.189 3.531 6.229 857 QQD LEU 83 QQD LEU 83 -6.734 3.962 6.461 858 H ASP 84 HN ASP 84 -9.220 8.820 6.976 859 HA ASP 84 HA ASP 84 -9.784 9.369 9.875 860 1HB ASP 84 2HB ASP 84 -8.944 11.448 7.844 861 2HB ASP 84 3HB ASP 84 -8.828 11.530 9.589 862 QB ASP 84 QB ASP 84 -8.886 11.489 8.717 863 H ALA 85 HN ALA 85 -10.434 10.447 6.636 864 HA ALA 85 HA ALA 85 -12.783 10.459 5.770 865 1HB ALA 85 3HB ALA 85 -13.310 12.021 8.325 866 2HB ALA 85 1HB ALA 85 -14.480 11.740 7.040 867 3HB ALA 85 2HB ALA 85 -13.888 10.389 8.000 868 QB ALA 85 QB ALA 85 -13.893 11.383 7.788 Start of MODEL 6 Raw file had 868 H/Q atoms Start of MODEL 6 1 H MET 1 HN MET 1 -11.214 -4.934 4.436 2 HA MET 1 HA MET 1 -9.995 -3.387 2.416 3 1HB MET 1 2HB MET 1 -10.335 -1.491 3.973 4 2HB MET 1 3HB MET 1 -11.771 -2.491 3.845 5 1HG MET 1 2HG MET 1 -11.367 -3.515 5.966 6 2HG MET 1 3HG MET 1 -9.740 -2.893 6.052 7 1HE MET 1 1HE MET 1 -9.580 -0.158 5.524 8 2HE MET 1 2HE MET 1 -10.099 0.766 6.932 9 3HE MET 1 3HE MET 1 -9.052 -0.637 7.143 10 QB MET 1 QB MET 1 -11.053 -1.991 3.909 11 QG MET 1 QG MET 1 -10.553 -3.204 6.009 12 QE MET 1 QE MET 1 -9.577 -0.010 6.533 13 H GLN 2 HN GLN 2 -7.943 -5.013 2.780 14 HA GLN 2 HA GLN 2 -6.028 -3.552 4.550 15 1HB GLN 2 2HB GLN 2 -5.794 -6.340 3.358 16 2HB GLN 2 3HB GLN 2 -4.640 -5.569 4.435 17 1HG GLN 2 2HG GLN 2 -6.552 -5.331 6.125 18 2HG GLN 2 3HG GLN 2 -7.501 -6.377 5.076 19 1HE2 GLN 2 2HE2 GLN 2 -4.135 -8.256 6.395 20 2HE2 GLN 2 1HE2 GLN 2 -4.005 -6.794 5.547 21 QB GLN 2 QB GLN 2 -5.217 -5.955 3.896 22 QG GLN 2 QG GLN 2 -7.026 -5.854 5.600 23 QE2 GLN 2 QE2 GLN 2 -4.070 -7.525 5.971 24 H THR 3 HN THR 3 -3.712 -3.669 3.524 25 HA THR 3 HA THR 3 -4.058 -2.804 0.674 26 HB THR 3 HB THR 3 -1.966 -1.950 2.714 27 HG1 THR 3 1HG THR 3 -3.712 -0.933 3.390 28 1HG2 THR 3 2HG2 THR 3 -1.323 -1.612 0.275 29 2HG2 THR 3 3HG2 THR 3 -2.821 -0.715 0.055 30 3HG2 THR 3 1HG2 THR 3 -1.574 -0.094 1.127 31 QG2 THR 3 QG2 THR 3 -1.906 -0.807 0.486 32 H VAL 4 HN VAL 4 -2.778 -3.526 -0.911 33 HA VAL 4 HA VAL 4 -0.574 -5.475 -0.254 34 HB VAL 4 HB VAL 4 -2.403 -5.366 -2.692 35 1HG1 VAL 4 1HG1 VAL 4 -0.178 -7.305 -1.927 36 2HG1 VAL 4 2HG1 VAL 4 -1.242 -7.487 -3.317 37 3HG1 VAL 4 3HG1 VAL 4 -0.117 -6.137 -3.245 38 1HG2 VAL 4 3HG2 VAL 4 -3.547 -6.245 -0.674 39 2HG2 VAL 4 1HG2 VAL 4 -3.278 -7.532 -1.847 40 3HG2 VAL 4 2HG2 VAL 4 -2.237 -7.397 -0.430 41 QG1 VAL 4 QG1 VAL 4 -0.513 -6.976 -2.829 42 QG2 VAL 4 QG2 VAL 4 -3.021 -7.058 -0.984 43 QQG VAL 4 QQG VAL 4 -1.767 -7.017 -1.907 44 H ILE 5 HN ILE 5 1.355 -4.731 -0.894 45 HA ILE 5 HA ILE 5 1.396 -2.429 -2.832 46 HB ILE 5 HB ILE 5 3.599 -3.244 -0.909 47 1HG1 ILE 5 2HG1 ILE 5 1.467 -2.661 0.318 48 2HG1 ILE 5 3HG1 ILE 5 2.817 -1.592 0.667 49 1HG2 ILE 5 3HG2 ILE 5 3.038 -0.701 -2.469 50 2HG2 ILE 5 1HG2 ILE 5 4.338 -0.889 -1.294 51 3HG2 ILE 5 2HG2 ILE 5 4.332 -1.854 -2.769 52 1HD1 ILE 5 3HD1 ILE 5 0.570 -0.997 -1.285 53 2HD1 ILE 5 1HD1 ILE 5 0.740 -0.307 0.327 54 3HD1 ILE 5 2HD1 ILE 5 1.917 0.075 -0.915 55 QG1 ILE 5 QG1 ILE 5 2.142 -2.127 0.493 56 QG2 ILE 5 QG2 ILE 5 3.903 -1.148 -2.177 57 QD1 ILE 5 QD1 ILE 5 1.076 -0.410 -0.624 58 H PHE 6 HN PHE 6 2.139 -2.901 -4.823 59 HA PHE 6 HA PHE 6 3.831 -5.323 -5.229 60 1HB PHE 6 2HB PHE 6 2.368 -3.554 -7.232 61 2HB PHE 6 3HB PHE 6 3.289 -4.992 -7.647 62 HD1 PHE 6 2HD PHE 6 0.280 -3.761 -5.893 63 HD2 PHE 6 1HD PHE 6 2.372 -7.201 -7.272 64 HE1 PHE 6 2HE PHE 6 -1.689 -5.149 -5.440 65 HE2 PHE 6 1HE PHE 6 0.400 -8.582 -6.820 66 HZ PHE 6 HZ PHE 6 -1.636 -7.563 -5.902 67 QB PHE 6 QB PHE 6 2.829 -4.273 -7.440 68 QR PHE 6 QR PHE 6 0.341 -6.173 -6.356 69 H GLY 7 HN GLY 7 5.660 -4.280 -4.346 70 1HA GLY 7 1HA GLY 7 6.929 -2.322 -6.219 71 2HA GLY 7 2HA GLY 7 7.000 -2.050 -4.477 72 QA GLY 7 QA GLY 7 6.964 -2.186 -5.348 73 NH1 ARG 8 NH1 ARG 8 12.069 -6.694 -4.780 74 NH2 ARG 8 NH2 ARG 8 12.804 -7.907 -6.523 75 H ARG 8 HN ARG 8 9.353 -2.123 -5.283 76 HA ARG 8 HA ARG 8 10.338 -4.931 -5.342 77 1HB ARG 8 2HB ARG 8 11.549 -2.236 -6.078 78 2HB ARG 8 3HB ARG 8 12.595 -3.611 -5.789 79 1HG ARG 8 2HG ARG 8 10.302 -3.596 -7.781 80 2HG ARG 8 3HG ARG 8 11.978 -3.275 -8.213 81 1HD ARG 8 2HD ARG 8 10.690 -5.850 -7.360 82 2HD ARG 8 3HD ARG 8 11.862 -5.563 -8.638 83 HE ARG 8 HE ARG 8 13.515 -5.161 -6.617 84 1HH1 ARG 8 2HH1 ARG 8 11.922 -5.808 -4.348 85 2HH1 ARG 8 1HH1 ARG 8 11.832 -7.535 -4.283 86 1HH2 ARG 8 2HH2 ARG 8 13.189 -7.953 -7.440 87 2HH2 ARG 8 1HH2 ARG 8 12.587 -8.749 -6.020 88 QB ARG 8 QB ARG 8 12.072 -2.923 -5.934 89 QG ARG 8 QG ARG 8 11.140 -3.435 -7.997 90 QD ARG 8 QD ARG 8 11.276 -5.707 -7.999 91 QH1 ARG 8 QH1 ARG 8 11.877 -6.672 -4.316 92 QH2 ARG 8 QH2 ARG 8 12.888 -8.351 -6.730 93 H SER 9 HN SER 9 11.453 -1.870 -3.972 94 HA SER 9 HA SER 9 11.875 -1.305 -1.712 95 1HB SER 9 2HB SER 9 12.037 -4.300 -1.178 96 2HB SER 9 3HB SER 9 12.343 -3.036 0.016 97 HG SER 9 HG SER 9 9.968 -3.519 -1.467 98 QB SER 9 QB SER 9 12.190 -3.668 -0.581 99 H GLY 10 HN GLY 10 13.867 -0.856 -0.823 100 1HA GLY 10 1HA GLY 10 16.295 -1.218 -0.652 101 2HA GLY 10 2HA GLY 10 16.233 -2.050 -2.213 102 QA GLY 10 QA GLY 10 16.264 -1.634 -1.433 103 H CYS 11 HN CYS 11 14.206 -0.027 -3.040 104 HA CYS 11 HA CYS 11 16.056 2.203 -3.772 105 1HB CYS 11 2HB CYS 11 14.090 2.380 -5.592 106 2HB CYS 11 3HB CYS 11 15.464 1.323 -5.804 107 QB CYS 11 QB CYS 11 14.777 1.851 -5.698 108 HA PRO 12 HA PRO 12 13.827 5.058 -1.460 109 1HB PRO 12 2HB PRO 12 13.490 7.174 -3.298 110 2HB PRO 12 3HB PRO 12 14.904 6.902 -2.275 111 1HG PRO 12 2HG PRO 12 14.513 6.253 -5.182 112 2HG PRO 12 3HG PRO 12 15.994 6.713 -4.332 113 1HD PRO 12 2HD PRO 12 15.449 4.122 -5.087 114 2HD PRO 12 3HD PRO 12 16.437 4.514 -3.662 115 QB PRO 12 QB PRO 12 14.197 7.038 -2.786 116 QG PRO 12 QG PRO 12 15.253 6.483 -4.757 117 QD PRO 12 QD PRO 12 15.943 4.318 -4.375 118 OH TYR 13 OH TYR 13 5.056 8.090 -6.105 119 H TYR 13 HN TYR 13 12.471 5.219 -4.762 120 HA TYR 13 HA TYR 13 9.824 5.876 -3.832 121 1HB TYR 13 2HB TYR 13 10.901 6.133 -6.260 122 2HB TYR 13 3HB TYR 13 10.142 4.563 -6.511 123 HD1 TYR 13 HD1 TYR 13 7.620 4.407 -5.568 124 HD2 TYR 13 HD2 TYR 13 9.550 8.050 -6.625 125 HE1 TYR 13 HE1 TYR 13 5.463 5.544 -5.589 126 HE2 TYR 13 HE2 TYR 13 7.369 9.178 -6.673 127 HH TYR 13 HH TYR 13 4.582 7.839 -6.906 128 QB TYR 13 QB TYR 13 10.521 5.348 -6.385 129 QR TYR 13 QR TYR 13 7.500 6.795 -6.114 130 H CYS 14 HN CYS 14 11.223 2.715 -4.834 131 HA CYS 14 HA CYS 14 8.738 1.266 -4.659 132 1HB CYS 14 2HB CYS 14 10.087 -0.694 -4.157 133 2HB CYS 14 3HB CYS 14 10.680 0.177 -5.544 134 QB CYS 14 QB CYS 14 10.384 -0.259 -4.851 135 H VAL 15 HN VAL 15 11.249 1.792 -2.218 136 HA VAL 15 HA VAL 15 9.964 0.644 -0.008 137 HB VAL 15 HB VAL 15 11.885 2.994 -0.184 138 1HG1 VAL 15 2HG1 VAL 15 10.647 2.895 2.011 139 2HG1 VAL 15 3HG1 VAL 15 11.198 1.242 2.204 140 3HG1 VAL 15 1HG1 VAL 15 12.365 2.552 2.183 141 1HG2 VAL 15 2HG2 VAL 15 12.673 0.817 -1.118 142 2HG2 VAL 15 3HG2 VAL 15 13.559 1.254 0.338 143 3HG2 VAL 15 1HG2 VAL 15 12.289 0.033 0.409 144 QG1 VAL 15 QG1 VAL 15 11.403 2.230 2.133 145 QG2 VAL 15 QG2 VAL 15 12.841 0.701 -0.124 146 QQG VAL 15 QQG VAL 15 12.122 1.466 1.004 147 NH1 ARG 16 NH1 ARG 16 10.563 5.470 1.628 148 NH2 ARG 16 NH2 ARG 16 9.478 6.722 3.178 149 H ARG 16 HN ARG 16 9.823 4.043 -1.104 150 HA ARG 16 HA ARG 16 8.356 5.317 0.757 151 1HB ARG 16 2HB ARG 16 8.023 5.383 -2.214 152 2HB ARG 16 3HB ARG 16 6.865 6.260 -1.235 153 1HG ARG 16 2HG ARG 16 9.884 6.592 -1.114 154 2HG ARG 16 3HG ARG 16 8.762 7.714 -1.863 155 1HD ARG 16 2HD ARG 16 8.461 8.733 0.140 156 2HD ARG 16 3HD ARG 16 7.803 7.239 0.806 157 HE ARG 16 HE ARG 16 10.649 8.129 0.998 158 1HH1 ARG 16 1HH1 ARG 16 10.918 5.375 0.697 159 2HH1 ARG 16 2HH1 ARG 16 10.657 4.720 2.290 160 1HH2 ARG 16 2HH2 ARG 16 9.035 7.587 3.423 161 2HH2 ARG 16 1HH2 ARG 16 9.544 5.977 3.855 162 QB ARG 16 QB ARG 16 7.444 5.822 -1.724 163 QG ARG 16 QG ARG 16 9.323 7.153 -1.488 164 QD ARG 16 QD ARG 16 8.132 7.986 0.473 165 QH1 ARG 16 QH1 ARG 16 10.788 5.047 1.493 166 QH2 ARG 16 QH2 ARG 16 9.289 6.782 3.639 167 H ALA 17 HN ALA 17 6.701 3.106 -1.492 168 HA ALA 17 HA ALA 17 4.133 3.449 -0.253 169 1HB ALA 17 2HB ALA 17 5.235 1.081 -1.788 170 2HB ALA 17 3HB ALA 17 3.536 1.355 -1.425 171 3HB ALA 17 1HB ALA 17 4.396 2.464 -2.484 172 QB ALA 17 QB ALA 17 4.389 1.633 -1.899 173 H LYS 18 HN LYS 18 6.738 1.131 0.322 174 HA LYS 18 HA LYS 18 5.344 -0.504 2.238 175 1HB LYS 18 2HB LYS 18 7.272 -1.569 1.538 176 2HB LYS 18 3HB LYS 18 8.196 -0.088 1.452 177 1HG LYS 18 2HG LYS 18 7.397 -0.847 4.214 178 2HG LYS 18 3HG LYS 18 8.460 -2.001 3.424 179 1HD LYS 18 2HD LYS 18 10.080 -0.254 2.906 180 2HD LYS 18 3HD LYS 18 9.020 0.992 3.540 181 1HE LYS 18 2HE LYS 18 10.201 -1.284 5.176 182 2HE LYS 18 3HE LYS 18 10.819 0.366 5.147 183 1HZ LYS 18 1HZ LYS 18 8.064 0.431 5.692 184 2HZ LYS 18 2HZ LYS 18 8.797 -0.671 6.762 185 3HZ LYS 18 3HZ LYS 18 9.346 0.946 6.676 186 QB LYS 18 QB LYS 18 7.734 -0.828 1.495 187 QG LYS 18 QG LYS 18 7.928 -1.424 3.819 188 QD LYS 18 QD LYS 18 9.550 0.369 3.223 189 QE LYS 18 QE LYS 18 10.510 -0.459 5.161 190 QZ LYS 18 QZ LYS 18 8.735 0.235 6.377 191 H ASP 19 HN ASP 19 7.519 2.250 2.604 192 HA ASP 19 HA ASP 19 7.428 2.388 5.432 193 1HB ASP 19 2HB ASP 19 7.933 4.415 3.292 194 2HB ASP 19 3HB ASP 19 7.599 4.998 4.912 195 QB ASP 19 QB ASP 19 7.766 4.707 4.102 196 H LEU 20 HN LEU 20 5.348 3.962 3.014 197 HA LEU 20 HA LEU 20 3.680 5.219 4.920 198 1HB LEU 20 2HB LEU 20 3.622 5.741 2.529 199 2HB LEU 20 3HB LEU 20 2.973 4.146 2.169 200 HG LEU 20 HG LEU 20 0.895 4.656 3.286 201 1HD1 LEU 20 2HD1 LEU 20 2.210 7.259 4.169 202 2HD1 LEU 20 3HD1 LEU 20 0.523 6.839 4.424 203 3HD1 LEU 20 1HD1 LEU 20 1.780 5.920 5.227 204 1HD2 LEU 20 2HD2 LEU 20 1.186 5.616 1.007 205 2HD2 LEU 20 3HD2 LEU 20 0.123 6.614 1.992 206 3HD2 LEU 20 1HD2 LEU 20 1.794 7.103 1.716 207 QB LEU 20 QB LEU 20 3.297 4.943 2.349 208 QD1 LEU 20 QD1 LEU 20 1.504 6.673 4.607 209 QD2 LEU 20 QD2 LEU 20 1.034 6.444 1.572 210 QQD LEU 20 QQD LEU 20 1.269 6.558 3.089 211 H ALA 21 HN ALA 21 3.074 2.056 3.273 212 HA ALA 21 HA ALA 21 0.786 1.394 4.784 213 1HB ALA 21 2HB ALA 21 1.582 -0.018 2.913 214 2HB ALA 21 3HB ALA 21 2.970 -0.520 3.871 215 3HB ALA 21 1HB ALA 21 1.349 -0.982 4.356 216 QB ALA 21 QB ALA 21 1.967 -0.507 3.713 217 H GLU 22 HN GLU 22 4.163 0.585 5.560 218 HA GLU 22 HA GLU 22 3.754 -0.639 8.058 219 1HB GLU 22 2HB GLU 22 5.892 -0.799 7.092 220 2HB GLU 22 3HB GLU 22 6.013 0.934 6.825 221 1HG GLU 22 2HG GLU 22 6.113 1.228 9.355 222 2HG GLU 22 3HG GLU 22 6.169 -0.526 9.477 223 QB GLU 22 QB GLU 22 5.952 0.068 6.958 224 QG GLU 22 QG GLU 22 6.141 0.351 9.416 225 H LYS 23 HN LYS 23 4.364 2.784 7.368 226 HA LYS 23 HA LYS 23 4.456 3.628 10.074 227 1HB LYS 23 2HB LYS 23 4.782 4.761 7.524 228 2HB LYS 23 3HB LYS 23 3.392 5.558 8.147 229 1HG LYS 23 2HG LYS 23 4.709 6.842 9.469 230 2HG LYS 23 3HG LYS 23 5.349 5.413 10.256 231 1HD LYS 23 2HD LYS 23 6.384 6.257 7.537 232 2HD LYS 23 3HD LYS 23 6.984 7.032 8.989 233 1HE LYS 23 2HE LYS 23 8.516 5.258 8.518 234 2HE LYS 23 3HE LYS 23 7.559 4.718 9.882 235 1HZ LYS 23 3HZ LYS 23 6.241 3.813 7.580 236 2HZ LYS 23 1HZ LYS 23 7.906 3.481 7.369 237 3HZ LYS 23 2HZ LYS 23 7.100 2.892 8.734 238 QB LYS 23 QB LYS 23 4.087 5.160 7.835 239 QG LYS 23 QG LYS 23 5.029 6.128 9.862 240 QD LYS 23 QD LYS 23 6.684 6.645 8.263 241 QE LYS 23 QE LYS 23 8.038 4.988 9.200 242 QZ LYS 23 QZ LYS 23 7.082 3.395 7.894 243 H LEU 24 HN LEU 24 1.883 3.624 7.645 244 HA LEU 24 HA LEU 24 -0.209 4.653 9.203 245 1HB LEU 24 2HB LEU 24 -0.281 2.466 7.091 246 2HB LEU 24 3HB LEU 24 -1.720 3.233 7.749 247 HG LEU 24 HG LEU 24 0.538 4.769 6.424 248 1HD1 LEU 24 2HD1 LEU 24 -2.113 3.815 5.289 249 2HD1 LEU 24 3HD1 LEU 24 -1.001 4.903 4.469 250 3HD1 LEU 24 1HD1 LEU 24 -0.522 3.242 4.809 251 1HD2 LEU 24 1HD2 LEU 24 -2.303 5.514 7.205 252 2HD2 LEU 24 2HD2 LEU 24 -0.828 6.123 7.946 253 3HD2 LEU 24 3HD2 LEU 24 -1.218 6.551 6.288 254 QB LEU 24 QB LEU 24 -1.000 2.849 7.420 255 QD1 LEU 24 QD1 LEU 24 -1.212 3.987 4.855 256 QD2 LEU 24 QD2 LEU 24 -1.450 6.063 7.146 257 QQD LEU 24 QQD LEU 24 -1.331 5.025 6.001 258 H SER 25 HN SER 25 0.686 1.218 8.789 259 HA SER 25 HA SER 25 -1.206 0.273 10.713 260 1HB SER 25 2HB SER 25 0.418 -1.737 10.918 261 2HB SER 25 3HB SER 25 -0.239 -1.384 9.313 262 HG SER 25 HG SER 25 2.009 0.080 9.983 263 QB SER 25 QB SER 25 0.090 -1.560 10.115 264 H ASN 26 HN ASN 26 1.643 2.061 11.296 265 HA ASN 26 HA ASN 26 1.545 1.306 14.203 266 1HB ASN 26 2HB ASN 26 3.723 0.812 12.958 267 2HB ASN 26 3HB ASN 26 3.902 2.554 12.751 268 1HD2 ASN 26 2HD2 ASN 26 5.193 2.959 16.012 269 2HD2 ASN 26 1HD2 ASN 26 4.954 3.623 14.468 270 QB ASN 26 QB ASN 26 3.813 1.683 12.855 271 QD2 ASN 26 QD2 ASN 26 5.073 3.291 15.240 272 H GLU 27 HN GLU 27 0.202 3.423 12.410 273 HA GLU 27 HA GLU 27 0.651 5.754 14.226 274 1HB GLU 27 2HB GLU 27 0.281 5.649 11.221 275 2HB GLU 27 3HB GLU 27 -0.078 7.095 12.133 276 1HG GLU 27 2HG GLU 27 2.253 7.208 12.920 277 2HG GLU 27 3HG GLU 27 2.608 5.683 12.112 278 QB GLU 27 QB GLU 27 0.101 6.372 11.677 279 QG GLU 27 QG GLU 27 2.430 6.445 12.516 280 NH1 ARG 28 NH2 ARG 28 -6.693 5.040 13.111 281 NH2 ARG 28 NH1 ARG 28 -7.782 6.376 11.615 282 H ARG 28 HN ARG 28 -1.488 4.153 11.971 283 HA ARG 28 HA ARG 28 -3.870 5.429 13.188 284 1HB ARG 28 2HB ARG 28 -3.355 3.997 10.567 285 2HB ARG 28 3HB ARG 28 -4.979 4.401 11.100 286 1HG ARG 28 2HG ARG 28 -3.008 6.633 11.234 287 2HG ARG 28 3HG ARG 28 -3.416 6.086 9.613 288 1HD ARG 28 2HD ARG 28 -4.929 7.921 10.480 289 2HD ARG 28 3HD ARG 28 -5.788 6.459 10.005 290 HE ARG 28 HE ARG 28 -5.229 7.239 12.850 291 1HH1 ARG 28 2HH2 ARG 28 -5.867 4.824 13.632 292 2HH1 ARG 28 1HH2 ARG 28 -7.496 4.450 13.217 293 1HH2 ARG 28 1HH1 ARG 28 -7.756 7.170 10.991 294 2HH2 ARG 28 2HH1 ARG 28 -8.631 5.857 11.710 295 QB ARG 28 QB ARG 28 -4.167 4.199 10.833 296 QG ARG 28 QG ARG 28 -3.212 6.359 10.424 297 QD ARG 28 QD ARG 28 -5.358 7.190 10.242 298 QH1 ARG 28 QH2 ARG 28 -6.681 4.637 13.424 299 QH2 ARG 28 QH1 ARG 28 -8.193 6.513 11.350 300 H ASP 29 HN ASP 29 -2.449 2.331 12.436 301 HA ASP 29 HA ASP 29 -2.740 0.228 13.417 302 1HB ASP 29 2HB ASP 29 -4.688 1.687 15.217 303 2HB ASP 29 3HB ASP 29 -4.402 -0.040 15.317 304 QB ASP 29 QB ASP 29 -4.545 0.824 15.267 305 H ASP 30 HN ASP 30 -5.723 1.994 12.659 306 HA ASP 30 HA ASP 30 -7.218 -0.397 11.980 307 1HB ASP 30 2HB ASP 30 -7.637 2.482 11.076 308 2HB ASP 30 3HB ASP 30 -8.803 1.183 10.884 309 QB ASP 30 QB ASP 30 -8.220 1.833 10.980 310 H PHE 31 HN PHE 31 -4.513 0.290 10.715 311 HA PHE 31 HA PHE 31 -5.286 -0.247 7.903 312 1HB PHE 31 2HB PHE 31 -4.385 2.019 8.077 313 2HB PHE 31 3HB PHE 31 -2.981 1.425 8.964 314 HD1 PHE 31 1HD PHE 31 -1.265 0.090 7.833 315 HD2 PHE 31 2HD PHE 31 -4.584 1.610 5.661 316 HE1 PHE 31 1HE PHE 31 -0.163 -0.497 5.738 317 HE2 PHE 31 2HE PHE 31 -3.508 1.006 3.566 318 HZ PHE 31 HZ PHE 31 -1.278 -0.063 3.590 319 QB PHE 31 QB PHE 31 -3.683 1.722 8.520 320 QR PHE 31 QR PHE 31 -2.380 0.552 5.700 321 H GLN 32 HN GLN 32 -4.647 -2.180 7.304 322 HA GLN 32 HA GLN 32 -2.138 -3.353 8.415 323 1HB GLN 32 2HB GLN 32 -4.735 -4.847 7.833 324 2HB GLN 32 3HB GLN 32 -3.240 -5.571 8.406 325 1HG GLN 32 2HG GLN 32 -4.879 -3.499 9.923 326 2HG GLN 32 3HG GLN 32 -4.802 -5.218 10.296 327 1HE2 GLN 32 2HE2 GLN 32 -2.153 -2.980 12.100 328 2HE2 GLN 32 1HE2 GLN 32 -3.717 -2.514 11.650 329 QB GLN 32 QB GLN 32 -3.988 -5.209 8.120 330 QG GLN 32 QG GLN 32 -4.840 -4.358 10.109 331 QE2 GLN 32 QE2 GLN 32 -2.935 -2.747 11.875 332 OH TYR 33 OH TYR 33 4.338 -2.918 7.562 333 H TYR 33 HN TYR 33 -0.909 -4.513 6.856 334 HA TYR 33 HA TYR 33 -1.947 -4.558 4.071 335 1HB TYR 33 2HB TYR 33 0.031 -3.386 3.220 336 2HB TYR 33 3HB TYR 33 -0.843 -2.367 4.362 337 HD1 TYR 33 HD1 TYR 33 -0.068 -2.440 6.832 338 HD2 TYR 33 HD2 TYR 33 2.324 -3.891 3.622 339 HE1 TYR 33 HE1 TYR 33 1.899 -2.360 8.256 340 HE2 TYR 33 HE2 TYR 33 4.307 -3.778 5.063 341 HH TYR 33 HH TYR 33 4.026 -2.820 8.472 342 QB TYR 33 QB TYR 33 -0.406 -2.876 3.791 343 QR TYR 33 QR TYR 33 2.115 -3.117 5.943 344 H GLN 34 HN GLN 34 -0.283 -5.424 2.593 345 HA GLN 34 HA GLN 34 1.523 -7.470 3.781 346 1HB GLN 34 2HB GLN 34 -0.444 -8.724 3.124 347 2HB GLN 34 3HB GLN 34 -0.569 -7.846 1.603 348 1HG GLN 34 2HG GLN 34 0.382 -10.104 1.225 349 2HG GLN 34 3HG GLN 34 1.573 -8.871 0.838 350 1HE2 GLN 34 2HE2 GLN 34 3.855 -10.463 3.000 351 2HE2 GLN 34 1HE2 GLN 34 3.578 -9.696 1.505 352 QB GLN 34 QB GLN 34 -0.507 -8.285 2.364 353 QG GLN 34 QG GLN 34 0.977 -9.488 1.031 354 QE2 GLN 34 QE2 GLN 34 3.717 -10.079 2.252 355 OH TYR 35 OH TYR 35 8.789 -4.133 -2.628 356 H TYR 35 HN TYR 35 3.463 -7.658 2.595 357 HA TYR 35 HA TYR 35 3.762 -5.595 0.456 358 1HB TYR 35 2HB TYR 35 5.423 -5.549 2.335 359 2HB TYR 35 3HB TYR 35 5.932 -7.177 1.895 360 HD1 TYR 35 HD1 TYR 35 6.880 -7.569 -0.439 361 HD2 TYR 35 HD2 TYR 35 6.252 -3.652 1.092 362 HE1 TYR 35 HE1 TYR 35 8.234 -6.652 -2.246 363 HE2 TYR 35 HE2 TYR 35 7.623 -2.729 -0.739 364 HH TYR 35 HH TYR 35 8.783 -4.805 -3.334 365 QB TYR 35 QB TYR 35 5.677 -6.363 2.115 366 QR TYR 35 QR TYR 35 7.247 -5.150 -0.583 367 H VAL 36 HN VAL 36 4.322 -6.150 -1.602 368 HA VAL 36 HA VAL 36 4.731 -9.042 -2.184 369 HB VAL 36 HB VAL 36 2.625 -7.134 -3.130 370 1HG1 VAL 36 3HG1 VAL 36 3.913 -9.165 -5.001 371 2HG1 VAL 36 1HG1 VAL 36 2.398 -8.330 -5.297 372 3HG1 VAL 36 2HG1 VAL 36 3.897 -7.417 -5.220 373 1HG2 VAL 36 2HG2 VAL 36 2.133 -9.108 -1.716 374 2HG2 VAL 36 3HG2 VAL 36 1.352 -9.251 -3.290 375 3HG2 VAL 36 1HG2 VAL 36 2.814 -10.169 -2.947 376 QG1 VAL 36 QG1 VAL 36 3.402 -8.304 -5.173 377 QG2 VAL 36 QG2 VAL 36 2.100 -9.509 -2.651 378 QQG VAL 36 QQG VAL 36 2.751 -8.907 -3.912 379 H ASP 37 HN ASP 37 6.049 -9.424 -3.964 380 HA ASP 37 HA ASP 37 7.744 -7.090 -4.849 381 1HB ASP 37 2HB ASP 37 8.951 -8.812 -3.468 382 2HB ASP 37 3HB ASP 37 8.511 -10.032 -4.650 383 QB ASP 37 QB ASP 37 8.731 -9.422 -4.059 384 H ILE 38 HN ILE 38 7.499 -6.638 -6.905 385 HA ILE 38 HA ILE 38 5.833 -8.028 -8.702 386 HB ILE 38 HB ILE 38 7.203 -6.741 -10.496 387 1HG1 ILE 38 2HG1 ILE 38 8.290 -5.356 -8.027 388 2HG1 ILE 38 3HG1 ILE 38 9.183 -6.630 -8.847 389 1HG2 ILE 38 1HG2 ILE 38 5.887 -5.284 -8.160 390 2HG2 ILE 38 2HG2 ILE 38 6.143 -4.595 -9.760 391 3HG2 ILE 38 3HG2 ILE 38 5.045 -5.957 -9.553 392 1HD1 ILE 38 1HD1 ILE 38 8.173 -4.071 -10.153 393 2HD1 ILE 38 2HD1 ILE 38 9.839 -4.358 -9.659 394 3HD1 ILE 38 3HD1 ILE 38 9.126 -5.320 -10.949 395 QG1 ILE 38 QG1 ILE 38 8.736 -5.993 -8.437 396 QG2 ILE 38 QG2 ILE 38 5.692 -5.278 -9.157 397 QD1 ILE 38 QD1 ILE 38 9.046 -4.583 -10.254 398 NH1 ARG 39 NH2 ARG 39 12.220 -14.374 -8.350 399 NH2 ARG 39 NH1 ARG 39 14.464 -14.800 -8.450 400 H ARG 39 HN ARG 39 9.121 -8.597 -7.811 401 HA ARG 39 HA ARG 39 9.640 -10.430 -10.050 402 1HB ARG 39 2HB ARG 39 11.344 -8.859 -8.976 403 2HB ARG 39 3HB ARG 39 11.308 -9.904 -7.565 404 1HG ARG 39 2HG ARG 39 11.668 -11.470 -9.996 405 2HG ARG 39 3HG ARG 39 12.886 -10.214 -9.877 406 1HD ARG 39 2HD ARG 39 13.653 -11.015 -7.745 407 2HD ARG 39 3HD ARG 39 12.239 -12.042 -7.537 408 HE ARG 39 HE ARG 39 14.281 -12.568 -9.688 409 1HH1 ARG 39 2HH2 ARG 39 11.468 -13.713 -8.448 410 2HH1 ARG 39 1HH2 ARG 39 12.017 -15.309 -8.067 411 1HH2 ARG 39 2HH1 ARG 39 15.395 -14.474 -8.627 412 2HH2 ARG 39 1HH1 ARG 39 14.322 -15.747 -8.168 413 QB ARG 39 QB ARG 39 11.326 -9.382 -8.270 414 QG ARG 39 QG ARG 39 12.277 -10.842 -9.936 415 QD ARG 39 QD ARG 39 12.946 -11.528 -7.641 416 QH1 ARG 39 QH2 ARG 39 11.742 -14.511 -8.258 417 QH2 ARG 39 QH1 ARG 39 14.858 -15.110 -8.397 418 H ALA 40 HN ALA 40 7.706 -10.851 -7.539 419 HA ALA 40 HA ALA 40 8.631 -13.643 -6.936 420 1HB ALA 40 1HB ALA 40 6.807 -11.812 -5.326 421 2HB ALA 40 2HB ALA 40 7.242 -13.456 -4.878 422 3HB ALA 40 3HB ALA 40 8.476 -12.202 -4.925 423 QB ALA 40 QB ALA 40 7.508 -12.490 -5.043 424 H GLU 41 HN GLU 41 5.756 -11.655 -7.310 425 HA GLU 41 HA GLU 41 3.975 -13.890 -7.816 426 1HB GLU 41 2HB GLU 41 3.786 -10.896 -7.898 427 2HB GLU 41 3HB GLU 41 2.545 -11.814 -8.738 428 1HG GLU 41 2HG GLU 41 2.007 -11.238 -6.308 429 2HG GLU 41 3HG GLU 41 1.880 -12.940 -6.715 430 QB GLU 41 QB GLU 41 3.166 -11.355 -8.318 431 QG GLU 41 QG GLU 41 1.943 -12.089 -6.512 432 H GLY 42 HN GLY 42 5.867 -11.712 -9.788 433 1HA GLY 42 1HA GLY 42 6.666 -12.359 -11.992 434 2HA GLY 42 2HA GLY 42 5.278 -13.427 -12.151 435 QA GLY 42 QA GLY 42 5.972 -12.893 -12.071 436 H ILE 43 HN ILE 43 5.531 -9.967 -11.328 437 HA ILE 43 HA ILE 43 3.640 -9.489 -13.620 438 HB ILE 43 HB ILE 43 3.920 -7.700 -11.175 439 1HG1 ILE 43 2HG1 ILE 43 1.785 -9.799 -11.722 440 2HG1 ILE 43 3HG1 ILE 43 3.074 -9.999 -10.545 441 1HG2 ILE 43 2HG2 ILE 43 3.000 -6.708 -13.265 442 2HG2 ILE 43 3HG2 ILE 43 1.801 -7.995 -13.342 443 3HG2 ILE 43 1HG2 ILE 43 1.757 -6.825 -12.035 444 1HD1 ILE 43 3HD1 ILE 43 2.282 -7.985 -9.333 445 2HD1 ILE 43 1HD1 ILE 43 0.973 -7.800 -10.494 446 3HD1 ILE 43 2HD1 ILE 43 1.016 -9.202 -9.439 447 QG1 ILE 43 QG1 ILE 43 2.429 -9.899 -11.134 448 QG2 ILE 43 QG2 ILE 43 2.186 -7.176 -12.881 449 QD1 ILE 43 QD1 ILE 43 1.423 -8.329 -9.756 450 H THR 44 HN THR 44 4.068 -7.762 -14.972 451 HA THR 44 HA THR 44 6.839 -6.688 -14.712 452 HB THR 44 HB THR 44 6.656 -6.277 -17.184 453 HG1 THR 44 1HG THR 44 4.179 -7.673 -17.024 454 1HG2 THR 44 1HG2 THR 44 5.638 -9.040 -16.364 455 2HG2 THR 44 2HG2 THR 44 6.454 -8.645 -17.877 456 3HG2 THR 44 3HG2 THR 44 7.333 -8.572 -16.355 457 QG2 THR 44 QG2 THR 44 6.475 -8.752 -16.865 458 H LYS 45 HN LYS 45 4.615 -5.152 -16.788 459 HA LYS 45 HA LYS 45 4.069 -2.910 -14.910 460 1HB LYS 45 2HB LYS 45 6.098 -2.184 -16.011 461 2HB LYS 45 3HB LYS 45 5.536 -2.745 -17.574 462 1HG LYS 45 2HG LYS 45 3.668 -1.011 -17.407 463 2HG LYS 45 3HG LYS 45 4.497 -0.381 -15.985 464 1HD LYS 45 2HD LYS 45 6.408 0.277 -17.241 465 2HD LYS 45 3HD LYS 45 6.006 -0.792 -18.578 466 1HE LYS 45 2HE LYS 45 5.558 1.588 -19.124 467 2HE LYS 45 3HE LYS 45 4.104 0.609 -19.196 468 1HZ LYS 45 2HZ LYS 45 4.411 1.624 -16.571 469 2HZ LYS 45 3HZ LYS 45 4.510 2.891 -17.686 470 3HZ LYS 45 1HZ LYS 45 3.156 1.860 -17.680 471 QB LYS 45 QB LYS 45 5.817 -2.464 -16.792 472 QG LYS 45 QG LYS 45 4.083 -0.696 -16.696 473 QD LYS 45 QD LYS 45 6.207 -0.257 -17.909 474 QE LYS 45 QE LYS 45 4.831 1.098 -19.160 475 QZ LYS 45 QZ LYS 45 4.025 2.125 -17.312 476 H GLU 46 HN GLU 46 3.816 -3.691 -18.345 477 HA GLU 46 HA GLU 46 1.346 -2.613 -18.940 478 1HB GLU 46 2HB GLU 46 2.598 -5.221 -19.874 479 2HB GLU 46 3HB GLU 46 1.142 -4.563 -20.607 480 1HG GLU 46 2HG GLU 46 3.497 -3.986 -21.657 481 2HG GLU 46 3HG GLU 46 2.273 -2.733 -21.549 482 QB GLU 46 QB GLU 46 1.870 -4.892 -20.240 483 QG GLU 46 QG GLU 46 2.885 -3.360 -21.603 484 H ASP 47 HN ASP 47 1.979 -5.700 -17.354 485 HA ASP 47 HA ASP 47 -0.667 -6.672 -17.136 486 1HB ASP 47 2HB ASP 47 1.491 -6.824 -14.994 487 2HB ASP 47 3HB ASP 47 0.132 -7.923 -15.172 488 QB ASP 47 QB ASP 47 0.811 -7.373 -15.083 489 H LEU 48 HN LEU 48 1.147 -5.029 -14.585 490 HA LEU 48 HA LEU 48 -0.802 -4.467 -12.714 491 1HB LEU 48 2HB LEU 48 1.282 -2.492 -13.727 492 2HB LEU 48 3HB LEU 48 0.443 -2.384 -12.191 493 HG LEU 48 HG LEU 48 2.087 -4.809 -12.974 494 1HD1 LEU 48 1HD1 LEU 48 3.537 -2.796 -12.920 495 2HD1 LEU 48 2HD1 LEU 48 2.957 -2.433 -11.301 496 3HD1 LEU 48 3HD1 LEU 48 3.892 -3.890 -11.589 497 1HD2 LEU 48 3HD2 LEU 48 1.059 -3.762 -10.315 498 2HD2 LEU 48 1HD2 LEU 48 0.446 -5.169 -11.175 499 3HD2 LEU 48 2HD2 LEU 48 2.073 -5.183 -10.511 500 QB LEU 48 QB LEU 48 0.862 -2.438 -12.959 501 QD1 LEU 48 QD1 LEU 48 3.462 -3.040 -11.936 502 QD2 LEU 48 QD2 LEU 48 1.193 -4.704 -10.667 503 QQD LEU 48 QQD LEU 48 2.327 -3.872 -11.302 504 H GLN 49 HN GLN 49 -0.083 -2.506 -15.536 505 HA GLN 49 HA GLN 49 -2.102 -0.540 -15.284 506 1HB GLN 49 2HB GLN 49 -0.910 -1.813 -17.768 507 2HB GLN 49 3HB GLN 49 -1.950 -0.396 -17.818 508 1HG GLN 49 2HG GLN 49 -0.372 0.811 -16.339 509 2HG GLN 49 3HG GLN 49 0.658 -0.608 -16.250 510 1HE2 GLN 49 2HE2 GLN 49 0.916 0.156 -20.096 511 2HE2 GLN 49 1HE2 GLN 49 -0.226 -0.865 -19.362 512 QB GLN 49 QB GLN 49 -1.430 -1.104 -17.793 513 QG GLN 49 QG GLN 49 0.143 0.101 -16.295 514 QE2 GLN 49 QE2 GLN 49 0.345 -0.354 -19.729 515 H GLN 50 HN GLN 50 -2.305 -3.455 -17.321 516 HA GLN 50 HA GLN 50 -5.086 -3.186 -17.923 517 1HB GLN 50 2HB GLN 50 -3.242 -5.601 -17.824 518 2HB GLN 50 3HB GLN 50 -4.896 -5.697 -18.420 519 1HG GLN 50 2HG GLN 50 -4.450 -4.255 -20.248 520 2HG GLN 50 3HG GLN 50 -2.979 -3.623 -19.514 521 1HE2 GLN 50 2HE2 GLN 50 -0.929 -6.186 -20.767 522 2HE2 GLN 50 1HE2 GLN 50 -1.040 -4.791 -19.798 523 QB GLN 50 QB GLN 50 -4.069 -5.649 -18.122 524 QG GLN 50 QG GLN 50 -3.714 -3.939 -19.881 525 QE2 GLN 50 QE2 GLN 50 -0.984 -5.489 -20.283 526 H LYS 51 HN LYS 51 -3.462 -4.991 -15.391 527 HA LYS 51 HA LYS 51 -5.761 -6.235 -14.263 528 1HB LYS 51 2HB LYS 51 -3.034 -6.311 -13.781 529 2HB LYS 51 3HB LYS 51 -3.621 -5.488 -12.356 530 1HG LYS 51 2HG LYS 51 -5.446 -7.608 -12.762 531 2HG LYS 51 3HG LYS 51 -3.874 -8.297 -13.124 532 1HD LYS 51 2HD LYS 51 -4.327 -8.598 -10.743 533 2HD LYS 51 3HD LYS 51 -3.009 -7.457 -10.945 534 1HE LYS 51 2HE LYS 51 -4.711 -6.739 -9.235 535 2HE LYS 51 3HE LYS 51 -4.472 -5.571 -10.520 536 1HZ LYS 51 2HZ LYS 51 -6.488 -7.379 -11.283 537 2HZ LYS 51 3HZ LYS 51 -6.854 -6.774 -9.745 538 3HZ LYS 51 1HZ LYS 51 -6.607 -5.709 -11.047 539 QB LYS 51 QB LYS 51 -3.328 -5.900 -13.068 540 QG LYS 51 QG LYS 51 -4.660 -7.953 -12.943 541 QD LYS 51 QD LYS 51 -3.668 -8.027 -10.844 542 QE LYS 51 QE LYS 51 -4.592 -6.155 -9.877 543 QZ LYS 51 QZ LYS 51 -6.650 -6.621 -10.691 544 H ALA 52 HN ALA 52 -4.357 -3.079 -13.862 545 HA ALA 52 HA ALA 52 -6.025 -2.386 -11.567 546 1HB ALA 52 3HB ALA 52 -4.347 -0.694 -13.464 547 2HB ALA 52 1HB ALA 52 -5.080 -0.100 -11.985 548 3HB ALA 52 2HB ALA 52 -3.822 -1.325 -11.911 549 QB ALA 52 QB ALA 52 -4.416 -0.707 -12.453 550 H GLY 53 HN GLY 53 -5.855 -1.316 -14.909 551 1HA GLY 53 1HA GLY 53 -7.993 -1.172 -16.219 552 2HA GLY 53 2HA GLY 53 -8.753 -0.528 -14.763 553 QA GLY 53 QA GLY 53 -8.373 -0.850 -15.491 554 H LYS 54 HN LYS 54 -6.055 0.826 -14.288 555 HA LYS 54 HA LYS 54 -6.501 3.202 -16.018 556 1HB LYS 54 2HB LYS 54 -6.733 3.038 -13.345 557 2HB LYS 54 3HB LYS 54 -5.001 3.263 -13.417 558 1HG LYS 54 2HG LYS 54 -6.965 5.102 -14.815 559 2HG LYS 54 3HG LYS 54 -6.403 5.350 -13.174 560 1HD LYS 54 2HD LYS 54 -4.549 5.129 -15.562 561 2HD LYS 54 3HD LYS 54 -5.114 6.659 -14.921 562 1HE LYS 54 2HE LYS 54 -3.402 6.629 -13.440 563 2HE LYS 54 3HE LYS 54 -4.133 5.225 -12.680 564 1HZ LYS 54 2HZ LYS 54 -2.842 4.291 -14.949 565 2HZ LYS 54 3HZ LYS 54 -1.748 5.354 -14.207 566 3HZ LYS 54 1HZ LYS 54 -2.405 4.032 -13.340 567 QB LYS 54 QB LYS 54 -5.867 3.150 -13.381 568 QG LYS 54 QG LYS 54 -6.684 5.226 -13.995 569 QD LYS 54 QD LYS 54 -4.832 5.894 -15.242 570 QE LYS 54 QE LYS 54 -3.768 5.927 -13.060 571 QZ LYS 54 QZ LYS 54 -2.332 4.559 -14.166 572 HA PRO 55 HA PRO 55 -2.342 1.603 -17.425 573 1HB PRO 55 2HB PRO 55 -3.301 3.327 -19.674 574 2HB PRO 55 3HB PRO 55 -2.509 1.748 -19.736 575 1HG PRO 55 2HG PRO 55 -5.199 2.066 -20.163 576 2HG PRO 55 3HG PRO 55 -4.522 0.589 -19.466 577 1HD PRO 55 2HD PRO 55 -6.075 2.756 -18.126 578 2HD PRO 55 3HD PRO 55 -5.864 1.060 -17.651 579 QB PRO 55 QB PRO 55 -2.905 2.538 -19.705 580 QG PRO 55 QG PRO 55 -4.861 1.328 -19.815 581 QD PRO 55 QD PRO 55 -5.970 1.908 -17.888 582 H VAL 56 HN VAL 56 -0.637 3.196 -18.410 583 HA VAL 56 HA VAL 56 0.604 5.181 -18.210 584 HB VAL 56 HB VAL 56 -1.923 6.480 -17.246 585 1HG1 VAL 56 2HG1 VAL 56 0.134 7.765 -16.796 586 2HG1 VAL 56 3HG1 VAL 56 0.589 7.624 -18.493 587 3HG1 VAL 56 1HG1 VAL 56 -0.838 8.548 -18.038 588 1HG2 VAL 56 2HG2 VAL 56 -0.800 6.224 -20.057 589 2HG2 VAL 56 3HG2 VAL 56 -2.267 5.448 -19.468 590 3HG2 VAL 56 1HG2 VAL 56 -2.201 7.197 -19.612 591 QG1 VAL 56 QG1 VAL 56 -0.038 7.979 -17.776 592 QG2 VAL 56 QG2 VAL 56 -1.756 6.290 -19.712 593 QQG VAL 56 QQG VAL 56 -0.897 7.135 -18.744 594 H GLU 57 HN GLU 57 1.412 3.694 -16.570 595 HA GLU 57 HA GLU 57 1.955 5.112 -14.121 596 1HB GLU 57 2HB GLU 57 1.052 3.101 -12.712 597 2HB GLU 57 3HB GLU 57 -0.092 4.317 -13.251 598 1HG GLU 57 2HG GLU 57 -0.762 2.899 -15.143 599 2HG GLU 57 3HG GLU 57 0.499 1.735 -14.747 600 QB GLU 57 QB GLU 57 0.480 3.709 -12.982 601 QG GLU 57 QG GLU 57 -0.131 2.317 -14.945 602 H THR 58 HN THR 58 3.326 3.764 -12.692 603 HA THR 58 HA THR 58 4.717 1.542 -14.053 604 HB THR 58 HB THR 58 6.058 4.111 -13.042 605 HG1 THR 58 1HG THR 58 5.961 4.560 -15.122 606 1HG2 THR 58 2HG2 THR 58 7.274 1.665 -14.423 607 2HG2 THR 58 3HG2 THR 58 8.131 3.145 -14.009 608 3HG2 THR 58 1HG2 THR 58 7.561 2.081 -12.732 609 QG2 THR 58 QG2 THR 58 7.655 2.297 -13.721 610 H VAL 59 HN VAL 59 6.458 0.757 -12.264 611 HA VAL 59 HA VAL 59 4.859 0.205 -9.880 612 HB VAL 59 HB VAL 59 6.920 -1.219 -9.277 613 1HG1 VAL 59 1HG1 VAL 59 5.471 -1.662 -11.912 614 2HG1 VAL 59 2HG1 VAL 59 6.380 -2.899 -11.050 615 3HG1 VAL 59 3HG1 VAL 59 4.941 -2.199 -10.320 616 1HG2 VAL 59 2HG2 VAL 59 8.542 0.079 -10.651 617 2HG2 VAL 59 3HG2 VAL 59 8.521 -1.627 -11.089 618 3HG2 VAL 59 1HG2 VAL 59 7.711 -0.452 -12.110 619 QG1 VAL 59 QG1 VAL 59 5.597 -2.253 -11.094 620 QG2 VAL 59 QG2 VAL 59 8.258 -0.667 -11.283 621 QQG VAL 59 QQG VAL 59 6.928 -1.460 -11.189 622 HA PRO 60 HA PRO 60 5.679 -0.764 -7.748 623 1HB PRO 60 2HB PRO 60 4.810 0.083 -5.299 624 2HB PRO 60 3HB PRO 60 6.506 -0.327 -5.606 625 1HG PRO 60 2HG PRO 60 5.211 2.400 -5.489 626 2HG PRO 60 3HG PRO 60 6.771 1.891 -4.837 627 1HD PRO 60 2HD PRO 60 6.481 3.244 -7.245 628 2HD PRO 60 3HD PRO 60 7.849 2.162 -6.900 629 QB PRO 60 QB PRO 60 5.658 -0.122 -5.453 630 QG PRO 60 QG PRO 60 5.991 2.145 -5.163 631 QD PRO 60 QD PRO 60 7.165 2.703 -7.072 632 H GLN 61 HN GLN 61 3.439 -1.371 -7.041 633 HA GLN 61 HA GLN 61 1.404 0.671 -7.905 634 1HB GLN 61 2HB GLN 61 1.759 -2.213 -8.636 635 2HB GLN 61 3HB GLN 61 0.116 -1.614 -8.482 636 1HG GLN 61 2HG GLN 61 2.101 -0.015 -10.088 637 2HG GLN 61 3HG GLN 61 1.375 -1.447 -10.797 638 1HE2 GLN 61 2HE2 GLN 61 -0.775 1.817 -10.990 639 2HE2 GLN 61 1HE2 GLN 61 0.924 1.762 -10.855 640 QB GLN 61 QB GLN 61 0.938 -1.914 -8.559 641 QG GLN 61 QG GLN 61 1.738 -0.731 -10.442 642 QE2 GLN 61 QE2 GLN 61 0.074 1.789 -10.923 643 H ILE 62 HN ILE 62 -0.492 0.800 -6.684 644 HA ILE 62 HA ILE 62 -0.471 -0.797 -4.140 645 HB ILE 62 HB ILE 62 -1.835 1.877 -4.543 646 1HG1 ILE 62 2HG1 ILE 62 0.560 2.135 -5.129 647 2HG1 ILE 62 3HG1 ILE 62 0.121 3.009 -3.673 648 1HG2 ILE 62 3HG2 ILE 62 -0.815 0.362 -2.121 649 2HG2 ILE 62 1HG2 ILE 62 -1.521 1.965 -2.075 650 3HG2 ILE 62 2HG2 ILE 62 -2.497 0.595 -2.575 651 1HD1 ILE 62 2HD1 ILE 62 1.458 0.282 -3.719 652 2HD1 ILE 62 3HD1 ILE 62 2.275 1.813 -3.426 653 3HD1 ILE 62 1HD1 ILE 62 1.077 1.228 -2.286 654 QG1 ILE 62 QG1 ILE 62 0.341 2.572 -4.401 655 QG2 ILE 62 QG2 ILE 62 -1.611 0.974 -2.257 656 QD1 ILE 62 QD1 ILE 62 1.603 1.108 -3.144 657 H PHE 63 HN PHE 63 -2.133 -2.073 -3.813 658 HA PHE 63 HA PHE 63 -4.755 -1.490 -5.137 659 1HB PHE 63 2HB PHE 63 -3.268 -4.112 -4.839 660 2HB PHE 63 3HB PHE 63 -5.018 -4.093 -4.947 661 HD1 PHE 63 2HD PHE 63 -2.002 -2.758 -6.787 662 HD2 PHE 63 1HD PHE 63 -6.027 -4.128 -7.052 663 HE1 PHE 63 2HE PHE 63 -1.888 -2.601 -9.231 664 HE2 PHE 63 1HE PHE 63 -5.920 -3.960 -9.501 665 HZ PHE 63 HZ PHE 63 -3.847 -3.206 -10.601 666 QB PHE 63 QB PHE 63 -4.143 -4.102 -4.893 667 QR PHE 63 QR PHE 63 -3.959 -3.362 -8.143 668 H VAL 64 HN VAL 64 -6.406 -1.415 -3.653 669 HA VAL 64 HA VAL 64 -5.733 -2.402 -0.895 670 HB VAL 64 HB VAL 64 -7.307 0.061 -1.716 671 1HG1 VAL 64 2HG1 VAL 64 -7.074 -1.240 1.018 672 2HG1 VAL 64 3HG1 VAL 64 -7.822 0.308 0.682 673 3HG1 VAL 64 1HG1 VAL 64 -8.543 -1.150 0.049 674 1HG2 VAL 64 2HG2 VAL 64 -4.807 0.264 -1.469 675 2HG2 VAL 64 3HG2 VAL 64 -5.677 1.211 -0.263 676 3HG2 VAL 64 1HG2 VAL 64 -4.953 -0.333 0.179 677 QG1 VAL 64 QG1 VAL 64 -7.813 -0.694 0.583 678 QG2 VAL 64 QG2 VAL 64 -5.146 0.381 -0.518 679 QQG VAL 64 QQG VAL 64 -6.479 -0.157 0.033 680 H ASP 65 HN ASP 65 -7.273 -3.493 0.166 681 HA ASP 65 HA ASP 65 -9.039 -4.988 0.426 682 1HB ASP 65 2HB ASP 65 -10.272 -2.729 0.364 683 2HB ASP 65 3HB ASP 65 -10.660 -3.082 -1.310 684 QB ASP 65 QB ASP 65 -10.466 -2.905 -0.473 685 H GLN 66 HN GLN 66 -10.098 -3.889 -2.706 686 HA GLN 66 HA GLN 66 -9.016 -6.277 -4.036 687 1HB GLN 66 2HB GLN 66 -11.225 -6.989 -4.890 688 2HB GLN 66 3HB GLN 66 -11.202 -7.045 -3.132 689 1HG GLN 66 2HG GLN 66 -12.263 -4.749 -3.114 690 2HG GLN 66 3HG GLN 66 -12.411 -4.857 -4.864 691 1HE2 GLN 66 2HE2 GLN 66 -15.143 -6.651 -2.560 692 2HE2 GLN 66 1HE2 GLN 66 -13.922 -5.647 -1.925 693 QB GLN 66 QB GLN 66 -11.213 -7.017 -4.011 694 QG GLN 66 QG GLN 66 -12.337 -4.803 -3.989 695 QE2 GLN 66 QE2 GLN 66 -14.532 -6.149 -2.243 696 H GLN 67 HN GLN 67 -9.253 -3.106 -4.092 697 HA GLN 67 HA GLN 67 -9.730 -2.921 -7.014 698 1HB GLN 67 2HB GLN 67 -10.204 -1.014 -4.717 699 2HB GLN 67 3HB GLN 67 -10.050 -0.420 -6.351 700 1HG GLN 67 2HG GLN 67 -12.099 -2.383 -5.313 701 2HG GLN 67 3HG GLN 67 -12.410 -0.749 -5.879 702 1HE2 GLN 67 2HE2 GLN 67 -12.170 -3.747 -8.568 703 2HE2 GLN 67 1HE2 GLN 67 -12.087 -4.037 -6.901 704 QB GLN 67 QB GLN 67 -10.127 -0.717 -5.534 705 QG GLN 67 QG GLN 67 -12.255 -1.566 -5.596 706 QE2 GLN 67 QE2 GLN 67 -12.128 -3.892 -7.734 707 H HIS 68 HN HIS 68 -8.595 -1.071 -7.970 708 HA HIS 68 HA HIS 68 -5.720 -1.111 -7.178 709 1HB HIS 68 2HB HIS 68 -6.050 -1.570 -9.502 710 2HB HIS 68 3HB HIS 68 -7.253 -0.327 -9.669 711 HD1 HIS 68 HD1 HIS 68 -6.465 1.825 -10.445 712 HD2 HIS 68 HD2 HIS 68 -3.275 -0.419 -9.149 713 HE1 HIS 68 HE1 HIS 68 -4.385 3.132 -11.012 714 QB HIS 68 QB HIS 68 -6.651 -0.948 -9.585 715 H ILE 69 HN ILE 69 -4.819 0.812 -6.347 716 HA ILE 69 HA ILE 69 -6.802 3.046 -6.098 717 HB ILE 69 HB ILE 69 -4.432 2.719 -4.258 718 1HG1 ILE 69 2HG1 ILE 69 -5.565 0.515 -4.244 719 2HG1 ILE 69 3HG1 ILE 69 -5.850 1.370 -2.749 720 1HG2 ILE 69 3HG2 ILE 69 -7.240 3.838 -3.912 721 2HG2 ILE 69 1HG2 ILE 69 -5.981 3.838 -2.680 722 3HG2 ILE 69 2HG2 ILE 69 -5.779 4.788 -4.149 723 1HD1 ILE 69 1HD1 ILE 69 -7.840 1.282 -5.049 724 2HD1 ILE 69 2HD1 ILE 69 -7.930 0.282 -3.616 725 3HD1 ILE 69 3HD1 ILE 69 -8.103 2.026 -3.478 726 QG1 ILE 69 QG1 ILE 69 -5.707 0.942 -3.497 727 QG2 ILE 69 QG2 ILE 69 -6.333 4.155 -3.580 728 QD1 ILE 69 QD1 ILE 69 -7.958 1.197 -4.048 729 H GLY 70 HN GLY 70 -3.431 2.243 -6.756 730 1HA GLY 70 1HA GLY 70 -2.894 3.890 -8.830 731 2HA GLY 70 2HA GLY 70 -2.884 5.049 -7.512 732 QA GLY 70 QA GLY 70 -2.889 4.469 -8.171 733 H GLY 71 HN GLY 71 -0.737 5.546 -7.541 734 1HA GLY 71 1HA GLY 71 1.241 3.326 -7.308 735 2HA GLY 71 2HA GLY 71 1.623 4.948 -7.851 736 QA GLY 71 QA GLY 71 1.432 4.137 -7.580 737 OH TYR 72 OH TYR 72 5.239 7.112 1.395 738 H TYR 72 HN TYR 72 0.884 6.668 -5.907 739 HA TYR 72 HA TYR 72 1.577 5.467 -3.305 740 1HB TYR 72 2HB TYR 72 3.792 5.933 -4.426 741 2HB TYR 72 3HB TYR 72 3.383 7.640 -4.441 742 HD1 TYR 72 HD2 TYR 72 2.825 5.043 -1.804 743 HD2 TYR 72 HD1 TYR 72 4.804 8.661 -2.846 744 HE1 TYR 72 HE2 TYR 72 3.670 5.247 0.472 745 HE2 TYR 72 HE1 TYR 72 5.670 8.841 -0.552 746 HH TYR 72 HH TYR 72 5.555 6.222 1.629 747 QB TYR 72 QB TYR 72 3.588 6.787 -4.433 748 QR TYR 72 QR TYR 72 4.242 6.948 -1.182 749 H THR 73 HN THR 73 1.756 8.746 -4.654 750 HA THR 73 HA THR 73 0.668 10.124 -2.465 751 HB THR 73 HB THR 73 -0.084 11.794 -4.347 752 HG1 THR 73 1HG THR 73 -0.308 10.723 -6.174 753 1HG2 THR 73 1HG2 THR 73 2.315 11.772 -3.434 754 2HG2 THR 73 2HG2 THR 73 2.712 10.585 -4.673 755 3HG2 THR 73 3HG2 THR 73 2.228 12.214 -5.135 756 QG2 THR 73 QG2 THR 73 2.418 11.523 -4.414 757 H ASP 74 HN ASP 74 -0.959 8.824 -5.272 758 HA ASP 74 HA ASP 74 -3.653 9.291 -4.719 759 1HB ASP 74 2HB ASP 74 -3.929 6.969 -5.914 760 2HB ASP 74 3HB ASP 74 -3.115 8.263 -6.786 761 QB ASP 74 QB ASP 74 -3.522 7.616 -6.350 762 H PHE 75 HN PHE 75 -1.820 6.417 -3.744 763 HA PHE 75 HA PHE 75 -3.856 5.223 -2.172 764 1HB PHE 75 2HB PHE 75 -1.896 3.964 -2.829 765 2HB PHE 75 3HB PHE 75 -0.827 5.104 -2.022 766 HD1 PHE 75 2HD PHE 75 -3.840 3.024 -1.100 767 HD2 PHE 75 1HD PHE 75 0.024 4.413 -0.027 768 HE1 PHE 75 2HE PHE 75 -3.922 1.681 0.964 769 HE2 PHE 75 1HE PHE 75 -0.072 3.113 2.044 770 HZ PHE 75 HZ PHE 75 -2.020 1.719 2.508 771 QB PHE 75 QB PHE 75 -1.362 4.534 -2.425 772 QR PHE 75 QR PHE 75 -1.952 3.058 0.470 773 H ALA 76 HN ALA 76 -1.150 7.314 -1.177 774 HA ALA 76 HA ALA 76 -1.699 7.529 1.565 775 1HB ALA 76 2HB ALA 76 -0.845 9.764 -0.322 776 2HB ALA 76 3HB ALA 76 -0.660 9.793 1.428 777 3HB ALA 76 1HB ALA 76 0.239 8.626 0.465 778 QB ALA 76 QB ALA 76 -0.422 9.394 0.524 779 H ALA 77 HN ALA 77 -2.970 9.552 -1.036 780 HA ALA 77 HA ALA 77 -4.780 11.082 0.511 781 1HB ALA 77 1HB ALA 77 -5.094 10.164 -2.376 782 2HB ALA 77 2HB ALA 77 -6.014 11.460 -1.613 783 3HB ALA 77 3HB ALA 77 -4.278 11.633 -1.846 784 QB ALA 77 QB ALA 77 -5.129 11.086 -1.945 785 CH2 TRP 78 CH2 TRP 78 -8.118 2.114 2.010 786 H TRP 78 HN TRP 78 -5.611 8.256 -1.538 787 HA TRP 78 HA TRP 78 -8.238 7.861 -0.700 788 1HB TRP 78 2HB TRP 78 -7.299 6.381 -2.359 789 2HB TRP 78 3HB TRP 78 -6.113 5.778 -1.242 790 HD1 TRP 78 HD1 TRP 78 -9.871 5.358 -2.113 791 HE1 TRP 78 HE1 TRP 78 -10.919 3.613 -0.634 792 HE3 TRP 78 HE3 TRP 78 -5.864 4.250 0.636 793 HZ2 TRP 78 HZ2 TRP 78 -10.131 1.823 1.351 794 HZ3 TRP 78 HZ3 TRP 78 -6.084 2.574 2.452 795 HH2 TRP 78 HH2 TRP 78 -8.186 1.368 2.787 796 QB TRP 78 QB TRP 78 -6.706 6.079 -1.801 797 H VAL 79 HN VAL 79 -5.366 6.498 0.863 798 HA VAL 79 HA VAL 79 -6.485 5.194 3.045 799 HB VAL 79 HB VAL 79 -3.953 6.880 2.887 800 1HG1 VAL 79 2HG1 VAL 79 -4.829 5.000 5.102 801 2HG1 VAL 79 3HG1 VAL 79 -3.256 5.772 4.987 802 3HG1 VAL 79 1HG1 VAL 79 -4.691 6.745 5.258 803 1HG2 VAL 79 1HG2 VAL 79 -4.015 4.820 1.504 804 2HG2 VAL 79 2HG2 VAL 79 -2.852 4.670 2.812 805 3HG2 VAL 79 3HG2 VAL 79 -4.417 3.880 2.930 806 QG1 VAL 79 QG1 VAL 79 -4.259 5.839 5.116 807 QG2 VAL 79 QG2 VAL 79 -3.761 4.457 2.415 808 QQG VAL 79 QQG VAL 79 -4.010 5.148 3.765 809 H LYS 80 HN LYS 80 -5.318 8.546 3.091 810 HA LYS 80 HA LYS 80 -6.525 9.256 5.550 811 1HB LYS 80 2HB LYS 80 -4.910 10.542 3.875 812 2HB LYS 80 3HB LYS 80 -6.411 11.218 3.265 813 1HG LYS 80 2HG LYS 80 -5.721 11.233 6.217 814 2HG LYS 80 3HG LYS 80 -5.220 12.529 5.139 815 1HD LYS 80 2HD LYS 80 -7.584 12.933 4.508 816 2HD LYS 80 3HD LYS 80 -8.099 11.637 5.568 817 1HE LYS 80 2HE LYS 80 -6.699 14.188 6.421 818 2HE LYS 80 3HE LYS 80 -8.386 13.773 6.711 819 1HZ LYS 80 2HZ LYS 80 -6.774 11.663 7.643 820 2HZ LYS 80 3HZ LYS 80 -6.163 13.118 8.277 821 3HZ LYS 80 1HZ LYS 80 -7.781 12.679 8.538 822 QB LYS 80 QB LYS 80 -5.660 10.880 3.570 823 QG LYS 80 QG LYS 80 -5.471 11.881 5.678 824 QD LYS 80 QD LYS 80 -7.842 12.285 5.038 825 QE LYS 80 QE LYS 80 -7.542 13.981 6.566 826 QZ LYS 80 QZ LYS 80 -6.906 12.487 8.153 827 H GLU 81 HN GLU 81 -7.864 9.513 2.264 828 HA GLU 81 HA GLU 81 -10.420 10.550 3.198 829 1HB GLU 81 2HB GLU 81 -9.672 9.407 0.475 830 2HB GLU 81 3HB GLU 81 -11.062 10.418 0.824 831 1HG GLU 81 2HG GLU 81 -9.620 12.319 1.358 832 2HG GLU 81 3HG GLU 81 -8.177 11.323 1.219 833 QB GLU 81 QB GLU 81 -10.367 9.913 0.650 834 QG GLU 81 QG GLU 81 -8.899 11.821 1.289 835 H ASN 82 HN ASN 82 -9.411 7.739 3.982 836 HA ASN 82 HA ASN 82 -12.086 6.491 3.676 837 1HB ASN 82 2HB ASN 82 -9.437 5.240 2.921 838 2HB ASN 82 3HB ASN 82 -10.789 4.233 3.420 839 1HD2 ASN 82 2HD2 ASN 82 -11.132 6.390 -0.045 840 2HD2 ASN 82 1HD2 ASN 82 -10.083 6.918 1.176 841 QB ASN 82 QB ASN 82 -10.113 4.736 3.171 842 QD2 ASN 82 QD2 ASN 82 -10.607 6.654 0.565 843 H LEU 83 HN LEU 83 -9.002 6.489 5.358 844 HA LEU 83 HA LEU 83 -10.160 4.895 7.564 845 1HB LEU 83 2HB LEU 83 -7.357 6.037 7.386 846 2HB LEU 83 3HB LEU 83 -7.916 4.733 8.424 847 HG LEU 83 HG LEU 83 -7.607 4.672 5.400 848 1HD1 LEU 83 1HD1 LEU 83 -5.580 4.259 6.800 849 2HD1 LEU 83 2HD1 LEU 83 -6.433 2.947 7.607 850 3HD1 LEU 83 3HD1 LEU 83 -6.074 2.841 5.888 851 1HD2 LEU 83 1HD2 LEU 83 -8.844 2.590 7.239 852 2HD2 LEU 83 2HD2 LEU 83 -9.706 3.512 6.013 853 3HD2 LEU 83 3HD2 LEU 83 -8.483 2.345 5.531 854 QB LEU 83 QB LEU 83 -7.637 5.385 7.905 855 QD1 LEU 83 QD1 LEU 83 -6.029 3.349 6.765 856 QD2 LEU 83 QD2 LEU 83 -9.011 2.816 6.261 857 QQD LEU 83 QQD LEU 83 -7.520 3.082 6.513 858 H ASP 84 HN ASP 84 -9.671 8.186 6.786 859 HA ASP 84 HA ASP 84 -10.047 8.900 9.677 860 1HB ASP 84 2HB ASP 84 -8.707 10.477 7.458 861 2HB ASP 84 3HB ASP 84 -9.035 11.110 9.066 862 QB ASP 84 QB ASP 84 -8.871 10.793 8.262 863 H ALA 85 HN ALA 85 -10.805 9.934 6.378 864 HA ALA 85 HA ALA 85 -13.433 10.953 7.387 865 1HB ALA 85 3HB ALA 85 -11.696 12.232 5.243 866 2HB ALA 85 1HB ALA 85 -13.295 12.792 5.724 867 3HB ALA 85 2HB ALA 85 -11.952 12.875 6.863 868 QB ALA 85 QB ALA 85 -12.314 12.633 5.943 Start of MODEL 7 Raw file had 868 H/Q atoms Start of MODEL 7 1 H MET 1 HN MET 1 -8.562 -4.663 7.974 2 HA MET 1 HA MET 1 -9.837 -4.258 5.466 3 1HB MET 1 2HB MET 1 -8.572 -1.843 6.804 4 2HB MET 1 3HB MET 1 -8.801 -1.958 5.063 5 1HG MET 1 2HG MET 1 -11.228 -2.256 5.409 6 2HG MET 1 3HG MET 1 -10.997 -2.161 7.141 7 1HE MET 1 2HE MET 1 -10.934 -0.428 3.770 8 2HE MET 1 3HE MET 1 -10.597 1.260 4.136 9 3HE MET 1 1HE MET 1 -9.327 0.054 4.327 10 QB MET 1 QB MET 1 -8.686 -1.901 5.934 11 QG MET 1 QG MET 1 -11.113 -2.209 6.275 12 QE MET 1 QE MET 1 -10.286 0.295 4.078 13 H GLN 2 HN GLN 2 -8.200 -4.556 3.791 14 HA GLN 2 HA GLN 2 -5.483 -5.046 4.911 15 1HB GLN 2 2HB GLN 2 -6.747 -7.046 3.999 16 2HB GLN 2 3HB GLN 2 -6.697 -6.272 2.417 17 1HG GLN 2 2HG GLN 2 -4.161 -6.154 2.658 18 2HG GLN 2 3HG GLN 2 -4.333 -7.110 4.114 19 1HE2 GLN 2 2HE2 GLN 2 -5.838 -9.486 1.330 20 2HE2 GLN 2 1HE2 GLN 2 -6.718 -8.289 2.153 21 QB GLN 2 QB GLN 2 -6.722 -6.659 3.208 22 QG GLN 2 QG GLN 2 -4.247 -6.632 3.386 23 QE2 GLN 2 QE2 GLN 2 -6.278 -8.888 1.741 24 H THR 3 HN THR 3 -3.660 -4.541 3.593 25 HA THR 3 HA THR 3 -4.140 -2.942 1.128 26 HB THR 3 HB THR 3 -2.512 -1.987 3.537 27 HG1 THR 3 1HG THR 3 -5.088 -1.848 2.727 28 1HG2 THR 3 1HG2 THR 3 -3.163 -0.613 0.879 29 2HG2 THR 3 2HG2 THR 3 -2.238 0.080 2.207 30 3HG2 THR 3 3HG2 THR 3 -1.570 -1.254 1.274 31 QG2 THR 3 QG2 THR 3 -2.324 -0.595 1.453 32 H VAL 4 HN VAL 4 -2.723 -3.507 -0.451 33 HA VAL 4 HA VAL 4 -0.211 -4.999 0.300 34 HB VAL 4 HB VAL 4 -1.965 -5.595 -2.102 35 1HG1 VAL 4 2HG1 VAL 4 0.433 -7.021 -0.880 36 2HG1 VAL 4 3HG1 VAL 4 -0.490 -7.593 -2.266 37 3HG1 VAL 4 1HG1 VAL 4 0.446 -6.108 -2.390 38 1HG2 VAL 4 2HG2 VAL 4 -1.665 -7.148 0.499 39 2HG2 VAL 4 3HG2 VAL 4 -3.105 -6.278 -0.005 40 3HG2 VAL 4 1HG2 VAL 4 -2.568 -7.683 -0.914 41 QG1 VAL 4 QG1 VAL 4 0.130 -6.907 -1.845 42 QG2 VAL 4 QG2 VAL 4 -2.446 -7.036 -0.140 43 QQG VAL 4 QQG VAL 4 -1.158 -6.972 -0.993 44 H ILE 5 HN ILE 5 1.560 -4.311 -0.654 45 HA ILE 5 HA ILE 5 1.297 -2.183 -2.762 46 HB ILE 5 HB ILE 5 3.659 -2.690 -0.920 47 1HG1 ILE 5 2HG1 ILE 5 1.640 -2.076 0.413 48 2HG1 ILE 5 3HG1 ILE 5 2.877 -0.834 0.471 49 1HG2 ILE 5 3HG2 ILE 5 2.876 -0.368 -2.720 50 2HG2 ILE 5 1HG2 ILE 5 4.248 -0.342 -1.615 51 3HG2 ILE 5 2HG2 ILE 5 4.223 -1.473 -2.962 52 1HD1 ILE 5 2HD1 ILE 5 0.473 -0.782 -1.381 53 2HD1 ILE 5 3HD1 ILE 5 0.626 0.142 0.107 54 3HD1 ILE 5 1HD1 ILE 5 1.697 0.475 -1.245 55 QG1 ILE 5 QG1 ILE 5 2.258 -1.455 0.442 56 QG2 ILE 5 QG2 ILE 5 3.782 -0.728 -2.432 57 QD1 ILE 5 QD1 ILE 5 0.932 -0.055 -0.839 58 H PHE 6 HN PHE 6 2.158 -2.623 -4.714 59 HA PHE 6 HA PHE 6 3.759 -5.133 -5.010 60 1HB PHE 6 2HB PHE 6 2.067 -3.572 -7.005 61 2HB PHE 6 3HB PHE 6 3.038 -4.974 -7.431 62 HD1 PHE 6 2HD PHE 6 0.405 -3.968 -4.946 63 HD2 PHE 6 1HD PHE 6 2.006 -7.079 -7.377 64 HE1 PHE 6 2HE PHE 6 -1.423 -5.450 -4.256 65 HE2 PHE 6 1HE PHE 6 0.201 -8.564 -6.655 66 HZ PHE 6 HZ PHE 6 -1.531 -7.751 -5.117 67 QB PHE 6 QB PHE 6 2.552 -4.273 -7.218 68 QR PHE 6 QR PHE 6 0.297 -6.265 -5.809 69 H GLY 7 HN GLY 7 5.866 -4.414 -4.756 70 1HA GLY 7 1HA GLY 7 6.802 -2.453 -6.831 71 2HA GLY 7 2HA GLY 7 7.306 -2.222 -5.156 72 QA GLY 7 QA GLY 7 7.054 -2.338 -5.994 73 NH1 ARG 8 NH1 ARG 8 15.818 -3.396 -8.511 74 NH2 ARG 8 NH2 ARG 8 16.544 -2.514 -6.535 75 H ARG 8 HN ARG 8 9.484 -2.709 -5.360 76 HA ARG 8 HA ARG 8 10.156 -5.429 -6.425 77 1HB ARG 8 2HB ARG 8 11.047 -3.321 -7.658 78 2HB ARG 8 3HB ARG 8 12.041 -3.060 -6.244 79 1HG ARG 8 2HG ARG 8 12.238 -5.814 -7.267 80 2HG ARG 8 3HG ARG 8 12.751 -4.601 -8.427 81 1HD ARG 8 2HD ARG 8 13.810 -4.831 -5.577 82 2HD ARG 8 3HD ARG 8 14.663 -5.317 -7.031 83 HE ARG 8 HE ARG 8 13.873 -2.455 -6.514 84 1HH1 ARG 8 2HH1 ARG 8 15.068 -3.807 -9.035 85 2HH1 ARG 8 1HH1 ARG 8 16.716 -3.288 -8.933 86 1HH2 ARG 8 2HH2 ARG 8 16.327 -2.241 -5.591 87 2HH2 ARG 8 1HH2 ARG 8 17.472 -2.396 -6.879 88 QB ARG 8 QB ARG 8 11.544 -3.190 -6.951 89 QG ARG 8 QG ARG 8 12.494 -5.207 -7.847 90 QD ARG 8 QD ARG 8 14.236 -5.074 -6.304 91 QH1 ARG 8 QH1 ARG 8 15.892 -3.548 -8.984 92 QH2 ARG 8 QH2 ARG 8 16.899 -2.319 -6.235 93 H SER 9 HN SER 9 12.360 -6.110 -5.448 94 HA SER 9 HA SER 9 12.041 -6.214 -2.550 95 1HB SER 9 2HB SER 9 14.390 -7.590 -3.205 96 2HB SER 9 3HB SER 9 12.775 -8.308 -3.148 97 HG SER 9 HG SER 9 12.526 -8.050 -5.289 98 QB SER 9 QB SER 9 13.582 -7.949 -3.177 99 H GLY 10 HN GLY 10 12.471 -3.700 -2.746 100 1HA GLY 10 1HA GLY 10 14.077 -2.369 -1.389 101 2HA GLY 10 2HA GLY 10 15.379 -3.324 -2.083 102 QA GLY 10 QA GLY 10 14.728 -2.847 -1.736 103 H CYS 11 HN CYS 11 12.730 -1.185 -3.079 104 HA CYS 11 HA CYS 11 14.560 -0.003 -5.136 105 1HB CYS 11 2HB CYS 11 12.047 0.734 -5.909 106 2HB CYS 11 3HB CYS 11 12.915 -0.628 -6.559 107 QB CYS 11 QB CYS 11 12.481 0.053 -6.234 108 HA PRO 12 HA PRO 12 14.629 3.248 -2.104 109 1HB PRO 12 2HB PRO 12 14.985 4.977 -4.529 110 2HB PRO 12 3HB PRO 12 15.918 4.936 -3.030 111 1HG PRO 12 2HG PRO 12 16.815 3.768 -5.342 112 2HG PRO 12 3HG PRO 12 17.244 3.161 -3.738 113 1HD PRO 12 2HD PRO 12 15.422 1.960 -5.751 114 2HD PRO 12 3HD PRO 12 16.213 1.195 -4.357 115 QB PRO 12 QB PRO 12 15.451 4.957 -3.779 116 QG PRO 12 QG PRO 12 17.030 3.464 -4.540 117 QD PRO 12 QD PRO 12 15.817 1.577 -5.054 118 OH TYR 13 OH TYR 13 6.179 8.842 -5.806 119 H TYR 13 HN TYR 13 12.847 4.012 -5.122 120 HA TYR 13 HA TYR 13 11.103 5.867 -3.766 121 1HB TYR 13 2HB TYR 13 11.494 5.787 -6.282 122 2HB TYR 13 3HB TYR 13 10.421 4.391 -6.326 123 HD1 TYR 13 HD2 TYR 13 10.391 7.738 -4.588 124 HD2 TYR 13 HD1 TYR 13 8.208 4.952 -6.968 125 HE1 TYR 13 HE2 TYR 13 8.467 9.239 -4.582 126 HE2 TYR 13 HE1 TYR 13 6.295 6.486 -6.987 127 HH TYR 13 HH TYR 13 6.465 9.678 -5.415 128 QB TYR 13 QB TYR 13 10.958 5.089 -6.304 129 QR TYR 13 QR TYR 13 8.340 7.104 -5.781 130 H CYS 14 HN CYS 14 10.614 2.433 -4.705 131 HA CYS 14 HA CYS 14 7.895 2.342 -3.808 132 1HB CYS 14 2HB CYS 14 8.077 -0.034 -3.779 133 2HB CYS 14 3HB CYS 14 9.018 0.534 -5.136 134 QB CYS 14 QB CYS 14 8.548 0.250 -4.458 135 H VAL 15 HN VAL 15 10.925 1.741 -2.170 136 HA VAL 15 HA VAL 15 10.128 0.767 0.289 137 HB VAL 15 HB VAL 15 12.263 2.842 -0.304 138 1HG1 VAL 15 3HG1 VAL 15 11.843 1.154 2.202 139 2HG1 VAL 15 1HG1 VAL 15 13.245 2.169 1.879 140 3HG1 VAL 15 2HG1 VAL 15 11.666 2.901 2.116 141 1HG2 VAL 15 3HG2 VAL 15 12.464 0.585 -1.393 142 2HG2 VAL 15 1HG2 VAL 15 13.735 0.859 -0.206 143 3HG2 VAL 15 2HG2 VAL 15 12.359 -0.162 0.197 144 QG1 VAL 15 QG1 VAL 15 12.251 2.075 2.066 145 QG2 VAL 15 QG2 VAL 15 12.853 0.427 -0.467 146 QQG VAL 15 QQG VAL 15 12.552 1.251 0.799 147 NH1 ARG 16 NH2 ARG 16 10.702 5.688 2.700 148 NH2 ARG 16 NH1 ARG 16 9.510 6.718 4.315 149 H ARG 16 HN ARG 16 9.482 3.974 -0.954 150 HA ARG 16 HA ARG 16 8.785 5.065 1.619 151 1HB ARG 16 2HB ARG 16 9.520 6.469 -0.260 152 2HB ARG 16 3HB ARG 16 8.145 5.936 -1.217 153 1HG ARG 16 2HG ARG 16 7.881 8.173 -0.113 154 2HG ARG 16 3HG ARG 16 6.603 7.026 0.226 155 1HD ARG 16 2HD ARG 16 7.463 8.334 2.254 156 2HD ARG 16 3HD ARG 16 7.441 6.586 2.439 157 HE ARG 16 HE ARG 16 9.962 8.061 1.726 158 1HH1 ARG 16 2HH2 ARG 16 11.019 5.636 1.751 159 2HH1 ARG 16 1HH2 ARG 16 11.021 5.012 3.380 160 1HH2 ARG 16 2HH1 ARG 16 8.933 7.480 4.606 161 2HH2 ARG 16 1HH1 ARG 16 9.813 6.028 4.988 162 QB ARG 16 QB ARG 16 8.833 6.202 -0.739 163 QG ARG 16 QG ARG 16 7.242 7.599 0.057 164 QD ARG 16 QD ARG 16 7.452 7.460 2.347 165 QH1 ARG 16 QH2 ARG 16 11.020 5.324 2.566 166 QH2 ARG 16 QH1 ARG 16 9.373 6.754 4.797 167 H ALA 17 HN ALA 17 6.899 3.840 -1.152 168 HA ALA 17 HA ALA 17 4.286 4.099 0.000 169 1HB ALA 17 3HB ALA 17 4.722 3.354 -2.360 170 2HB ALA 17 1HB ALA 17 5.349 1.830 -1.745 171 3HB ALA 17 2HB ALA 17 3.652 2.243 -1.514 172 QB ALA 17 QB ALA 17 4.574 2.476 -1.873 173 H LYS 18 HN LYS 18 6.811 1.676 0.259 174 HA LYS 18 HA LYS 18 5.471 -0.243 1.859 175 1HB LYS 18 2HB LYS 18 7.626 -0.759 0.883 176 2HB LYS 18 3HB LYS 18 8.387 0.584 1.705 177 1HG LYS 18 2HG LYS 18 7.054 -1.513 3.383 178 2HG LYS 18 3HG LYS 18 8.604 -1.897 2.644 179 1HD LYS 18 2HD LYS 18 9.504 0.264 3.648 180 2HD LYS 18 3HD LYS 18 7.985 0.404 4.519 181 1HE LYS 18 2HE LYS 18 8.404 -1.966 5.383 182 2HE LYS 18 3HE LYS 18 10.044 -1.786 4.787 183 1HZ LYS 18 1HZ LYS 18 9.475 0.514 6.259 184 2HZ LYS 18 2HZ LYS 18 8.901 -0.809 7.178 185 3HZ LYS 18 3HZ LYS 18 10.528 -0.758 6.689 186 QB LYS 18 QB LYS 18 8.006 -0.087 1.294 187 QG LYS 18 QG LYS 18 7.829 -1.705 3.013 188 QD LYS 18 QD LYS 18 8.745 0.334 4.084 189 QE LYS 18 QE LYS 18 9.224 -1.876 5.085 190 QZ LYS 18 QZ LYS 18 9.635 -0.351 6.709 191 H ASP 19 HN ASP 19 7.700 2.354 2.957 192 HA ASP 19 HA ASP 19 7.120 2.114 5.686 193 1HB ASP 19 2HB ASP 19 7.924 4.497 4.006 194 2HB ASP 19 3HB ASP 19 7.671 4.639 5.735 195 QB ASP 19 QB ASP 19 7.797 4.568 4.871 196 H LEU 20 HN LEU 20 5.514 4.313 3.370 197 HA LEU 20 HA LEU 20 3.669 5.455 5.110 198 1HB LEU 20 2HB LEU 20 3.783 6.106 2.758 199 2HB LEU 20 3HB LEU 20 3.196 4.526 2.252 200 HG LEU 20 HG LEU 20 1.026 4.941 3.340 201 1HD1 LEU 20 1HD1 LEU 20 2.234 7.623 4.125 202 2HD1 LEU 20 2HD1 LEU 20 0.546 7.175 4.332 203 3HD1 LEU 20 3HD1 LEU 20 1.790 6.329 5.239 204 1HD2 LEU 20 2HD2 LEU 20 1.355 5.750 1.018 205 2HD2 LEU 20 3HD2 LEU 20 0.253 6.798 1.904 206 3HD2 LEU 20 1HD2 LEU 20 1.921 7.296 1.638 207 QB LEU 20 QB LEU 20 3.489 5.316 2.505 208 QD1 LEU 20 QD1 LEU 20 1.523 7.043 4.565 209 QD2 LEU 20 QD2 LEU 20 1.176 6.615 1.520 210 QQD LEU 20 QQD LEU 20 1.350 6.829 3.043 211 H ALA 21 HN ALA 21 3.038 2.480 3.212 212 HA ALA 21 HA ALA 21 0.604 1.892 4.602 213 1HB ALA 21 3HB ALA 21 1.140 0.852 2.429 214 2HB ALA 21 1HB ALA 21 2.471 -0.031 3.170 215 3HB ALA 21 2HB ALA 21 0.814 -0.382 3.640 216 QB ALA 21 QB ALA 21 1.475 0.146 3.079 217 H GLU 22 HN GLU 22 3.858 0.467 5.043 218 HA GLU 22 HA GLU 22 3.184 -1.259 7.181 219 1HB GLU 22 2HB GLU 22 5.406 -1.254 6.066 220 2HB GLU 22 3HB GLU 22 5.759 0.299 6.804 221 1HG GLU 22 2HG GLU 22 5.559 -0.663 9.056 222 2HG GLU 22 3HG GLU 22 5.103 -2.220 8.378 223 QB GLU 22 QB GLU 22 5.583 -0.477 6.435 224 QG GLU 22 QG GLU 22 5.331 -1.441 8.717 225 H LYS 23 HN LYS 23 4.522 1.973 7.360 226 HA LYS 23 HA LYS 23 4.551 2.400 10.103 227 1HB LYS 23 2HB LYS 23 5.370 4.059 8.422 228 2HB LYS 23 3HB LYS 23 3.706 4.429 7.988 229 1HG LYS 23 2HG LYS 23 3.251 5.146 10.323 230 2HG LYS 23 3HG LYS 23 4.903 4.746 10.766 231 1HD LYS 23 2HD LYS 23 5.765 6.450 9.222 232 2HD LYS 23 3HD LYS 23 4.137 6.794 8.658 233 1HE LYS 23 2HE LYS 23 4.814 8.488 10.296 234 2HE LYS 23 3HE LYS 23 3.491 7.528 10.937 235 1HZ LYS 23 2HZ LYS 23 5.812 6.230 11.720 236 2HZ LYS 23 3HZ LYS 23 6.074 7.885 12.016 237 3HZ LYS 23 1HZ LYS 23 4.733 7.078 12.680 238 QB LYS 23 QB LYS 23 4.538 4.244 8.205 239 QG LYS 23 QG LYS 23 4.077 4.946 10.545 240 QD LYS 23 QD LYS 23 4.951 6.622 8.940 241 QE LYS 23 QE LYS 23 4.152 8.008 10.617 242 QZ LYS 23 QZ LYS 23 5.540 7.064 12.139 243 H LEU 24 HN LEU 24 1.867 3.204 7.874 244 HA LEU 24 HA LEU 24 0.004 3.830 9.937 245 1HB LEU 24 2HB LEU 24 -0.432 2.598 7.176 246 2HB LEU 24 3HB LEU 24 -1.742 3.189 8.192 247 HG LEU 24 HG LEU 24 0.614 4.905 7.329 248 1HD1 LEU 24 1HD1 LEU 24 -2.193 4.708 6.168 249 2HD1 LEU 24 2HD1 LEU 24 -0.999 5.924 5.725 250 3HD1 LEU 24 3HD1 LEU 24 -0.703 4.228 5.363 251 1HD2 LEU 24 3HD2 LEU 24 -2.087 5.563 8.581 252 2HD2 LEU 24 1HD2 LEU 24 -0.525 5.660 9.388 253 3HD2 LEU 24 2HD2 LEU 24 -0.895 6.750 8.063 254 QB LEU 24 QB LEU 24 -1.087 2.894 7.684 255 QD1 LEU 24 QD1 LEU 24 -1.298 4.953 5.752 256 QD2 LEU 24 QD2 LEU 24 -1.169 5.991 8.677 257 QQD LEU 24 QQD LEU 24 -1.234 5.472 7.215 258 H SER 25 HN SER 25 0.648 0.765 8.344 259 HA SER 25 HA SER 25 -1.220 -0.860 9.601 260 1HB SER 25 2HB SER 25 0.753 -1.385 7.852 261 2HB SER 25 3HB SER 25 1.570 -1.951 9.319 262 HG SER 25 HG SER 25 -1.132 -2.633 8.963 263 QB SER 25 QB SER 25 1.161 -1.668 8.586 264 H ASN 26 HN ASN 26 2.017 -0.098 10.808 265 HA ASN 26 HA ASN 26 1.503 -1.444 13.367 266 1HB ASN 26 2HB ASN 26 3.791 -1.360 12.439 267 2HB ASN 26 3HB ASN 26 3.776 0.402 12.522 268 1HD2 ASN 26 2HD2 ASN 26 4.619 0.433 15.955 269 2HD2 ASN 26 1HD2 ASN 26 4.410 1.327 14.529 270 QB ASN 26 QB ASN 26 3.784 -0.479 12.481 271 QD2 ASN 26 QD2 ASN 26 4.514 0.880 15.242 272 H GLU 27 HN GLU 27 1.318 1.833 12.196 273 HA GLU 27 HA GLU 27 0.921 2.874 14.946 274 1HB GLU 27 2HB GLU 27 1.359 4.224 12.268 275 2HB GLU 27 3HB GLU 27 1.153 5.086 13.776 276 1HG GLU 27 2HG GLU 27 3.130 3.706 14.683 277 2HG GLU 27 3HG GLU 27 3.380 3.147 13.037 278 QB GLU 27 QB GLU 27 1.256 4.655 13.022 279 QG GLU 27 QG GLU 27 3.255 3.426 13.860 280 NH1 ARG 28 NH2 ARG 28 -5.971 4.815 14.635 281 NH2 ARG 28 NH1 ARG 28 -4.928 6.822 14.389 282 H ARG 28 HN ARG 28 -1.176 1.314 13.961 283 HA ARG 28 HA ARG 28 -3.310 3.313 14.137 284 1HB ARG 28 2HB ARG 28 -2.719 2.837 11.630 285 2HB ARG 28 3HB ARG 28 -3.497 1.290 11.888 286 1HG ARG 28 2HG ARG 28 -5.252 2.647 11.047 287 2HG ARG 28 3HG ARG 28 -5.526 2.718 12.775 288 1HD ARG 28 2HD ARG 28 -4.029 4.822 11.173 289 2HD ARG 28 3HD ARG 28 -5.686 4.970 11.733 290 HE ARG 28 HE ARG 28 -3.250 4.978 13.476 291 1HH1 ARG 28 2HH2 ARG 28 -6.022 3.829 14.411 292 2HH1 ARG 28 1HH2 ARG 28 -6.635 5.190 15.275 293 1HH2 ARG 28 2HH1 ARG 28 -4.212 7.362 13.951 294 2HH2 ARG 28 1HH1 ARG 28 -5.546 7.254 15.043 295 QB ARG 28 QB ARG 28 -3.108 2.063 11.759 296 QG ARG 28 QG ARG 28 -5.389 2.683 11.911 297 QD ARG 28 QD ARG 28 -4.857 4.896 11.453 298 QH1 ARG 28 QH2 ARG 28 -6.328 4.510 14.843 299 QH2 ARG 28 QH1 ARG 28 -4.879 7.308 14.497 300 H ASP 29 HN ASP 29 -5.146 1.121 13.162 301 HA ASP 29 HA ASP 29 -5.038 -0.667 15.538 302 1HB ASP 29 2HB ASP 29 -7.775 0.105 14.807 303 2HB ASP 29 3HB ASP 29 -6.997 0.151 16.382 304 QB ASP 29 QB ASP 29 -7.386 0.128 15.595 305 H ASP 30 HN ASP 30 -6.726 0.074 12.516 306 HA ASP 30 HA ASP 30 -7.128 -2.828 12.009 307 1HB ASP 30 2HB ASP 30 -9.077 -1.383 11.707 308 2HB ASP 30 3HB ASP 30 -8.199 -0.363 10.594 309 QB ASP 30 QB ASP 30 -8.638 -0.873 11.151 310 H PHE 31 HN PHE 31 -6.579 -0.307 9.636 311 HA PHE 31 HA PHE 31 -5.492 -0.984 7.490 312 1HB PHE 31 2HB PHE 31 -4.860 1.158 8.750 313 2HB PHE 31 3HB PHE 31 -3.436 0.296 9.314 314 HD1 PHE 31 1HD PHE 31 -1.777 -0.578 7.577 315 HD2 PHE 31 2HD PHE 31 -4.970 2.030 6.530 316 HE1 PHE 31 1HE PHE 31 -0.645 -0.040 5.484 317 HE2 PHE 31 2HE PHE 31 -3.825 2.577 4.428 318 HZ PHE 31 HZ PHE 31 -1.664 1.521 3.900 319 QB PHE 31 QB PHE 31 -4.148 0.727 9.032 320 QR PHE 31 QR PHE 31 -2.804 0.997 6.005 321 H GLN 32 HN GLN 32 -5.304 -3.430 7.653 322 HA GLN 32 HA GLN 32 -2.639 -4.305 8.655 323 1HB GLN 32 2HB GLN 32 -4.768 -6.011 7.332 324 2HB GLN 32 3HB GLN 32 -3.341 -6.557 8.203 325 1HG GLN 32 2HG GLN 32 -4.293 -5.391 10.267 326 2HG GLN 32 3HG GLN 32 -5.775 -5.137 9.348 327 1HE2 GLN 32 2HE2 GLN 32 -5.430 -8.588 11.191 328 2HE2 GLN 32 1HE2 GLN 32 -4.715 -7.117 11.656 329 QB GLN 32 QB GLN 32 -4.055 -6.284 7.768 330 QG GLN 32 QG GLN 32 -5.034 -5.264 9.807 331 QE2 GLN 32 QE2 GLN 32 -5.073 -7.853 11.424 332 OH TYR 33 OH TYR 33 5.376 -3.628 5.794 333 H TYR 33 HN TYR 33 -1.052 -4.006 7.281 334 HA TYR 33 HA TYR 33 -1.655 -4.287 4.374 335 1HB TYR 33 2HB TYR 33 -0.326 -2.502 3.934 336 2HB TYR 33 3HB TYR 33 -0.595 -2.118 5.628 337 HD1 TYR 33 HD1 TYR 33 1.087 -3.692 7.218 338 HD2 TYR 33 HD2 TYR 33 1.886 -2.321 3.272 339 HE1 TYR 33 HE1 TYR 33 3.478 -4.060 7.569 340 HE2 TYR 33 HE2 TYR 33 4.276 -2.641 3.653 341 HH TYR 33 HH TYR 33 5.698 -3.169 6.588 342 QB TYR 33 QB TYR 33 -0.461 -2.310 4.781 343 QR TYR 33 QR TYR 33 2.682 -3.178 5.428 344 H GLN 34 HN GLN 34 0.004 -5.091 3.050 345 HA GLN 34 HA GLN 34 2.072 -6.826 4.267 346 1HB GLN 34 2HB GLN 34 0.041 -8.254 3.874 347 2HB GLN 34 3HB GLN 34 0.041 -7.767 2.187 348 1HG GLN 34 2HG GLN 34 1.100 -10.012 2.566 349 2HG GLN 34 3HG GLN 34 2.207 -8.863 1.827 350 1HE2 GLN 34 2HE2 GLN 34 3.067 -10.352 5.496 351 2HE2 GLN 34 1HE2 GLN 34 1.660 -10.827 4.675 352 QB GLN 34 QB GLN 34 0.041 -8.010 3.031 353 QG GLN 34 QG GLN 34 1.653 -9.437 2.196 354 QE2 GLN 34 QE2 GLN 34 2.363 -10.590 5.085 355 OH TYR 35 OH TYR 35 8.349 -2.902 -2.816 356 H TYR 35 HN TYR 35 3.755 -7.323 2.614 357 HA TYR 35 HA TYR 35 3.719 -5.215 0.469 358 1HB TYR 35 2HB TYR 35 5.546 -5.070 2.239 359 2HB TYR 35 3HB TYR 35 6.171 -6.593 1.616 360 HD1 TYR 35 HD2 TYR 35 5.508 -3.049 0.720 361 HD2 TYR 35 HD1 TYR 35 7.364 -6.680 -0.489 362 HE1 TYR 35 HE2 TYR 35 6.669 -1.859 -1.094 363 HE2 TYR 35 HE1 TYR 35 8.522 -5.490 -2.294 364 HH TYR 35 HH TYR 35 9.195 -3.355 -2.991 365 QB TYR 35 QB TYR 35 5.858 -5.831 1.927 366 QR TYR 35 QR TYR 35 7.016 -4.269 -0.789 367 H VAL 36 HN VAL 36 4.358 -5.776 -1.601 368 HA VAL 36 HA VAL 36 4.762 -8.677 -2.134 369 HB VAL 36 HB VAL 36 2.591 -6.829 -3.025 370 1HG1 VAL 36 1HG1 VAL 36 3.864 -8.880 -4.906 371 2HG1 VAL 36 2HG1 VAL 36 2.320 -8.088 -5.169 372 3HG1 VAL 36 3HG1 VAL 36 3.802 -7.143 -5.179 373 1HG2 VAL 36 1HG2 VAL 36 2.212 -8.796 -1.572 374 2HG2 VAL 36 2HG2 VAL 36 1.368 -8.979 -3.111 375 3HG2 VAL 36 3HG2 VAL 36 2.867 -9.856 -2.816 376 QG1 VAL 36 QG1 VAL 36 3.329 -8.037 -5.085 377 QG2 VAL 36 QG2 VAL 36 2.149 -9.211 -2.500 378 QQG VAL 36 QQG VAL 36 2.739 -8.624 -3.792 379 H ASP 37 HN ASP 37 6.014 -9.147 -3.907 380 HA ASP 37 HA ASP 37 7.634 -6.893 -5.030 381 1HB ASP 37 2HB ASP 37 8.899 -8.189 -3.390 382 2HB ASP 37 3HB ASP 37 8.464 -9.682 -4.180 383 QB ASP 37 QB ASP 37 8.682 -8.935 -3.785 384 H ILE 38 HN ILE 38 7.422 -6.700 -7.116 385 HA ILE 38 HA ILE 38 5.924 -8.442 -8.748 386 HB ILE 38 HB ILE 38 6.885 -7.158 -10.669 387 1HG1 ILE 38 2HG1 ILE 38 8.277 -5.329 -8.767 388 2HG1 ILE 38 3HG1 ILE 38 9.097 -6.829 -9.152 389 1HG2 ILE 38 3HG2 ILE 38 5.950 -5.549 -8.259 390 2HG2 ILE 38 1HG2 ILE 38 5.934 -4.970 -9.922 391 3HG2 ILE 38 2HG2 ILE 38 4.912 -6.324 -9.453 392 1HD1 ILE 38 2HD1 ILE 38 8.865 -6.327 -11.579 393 2HD1 ILE 38 3HD1 ILE 38 8.050 -4.816 -11.181 394 3HD1 ILE 38 1HD1 ILE 38 9.739 -5.046 -10.741 395 QG1 ILE 38 QG1 ILE 38 8.687 -6.079 -8.960 396 QG2 ILE 38 QG2 ILE 38 5.599 -5.614 -9.211 397 QD1 ILE 38 QD1 ILE 38 8.885 -5.396 -11.167 398 NH1 ARG 39 NH1 ARG 39 12.436 -11.520 -4.488 399 NH2 ARG 39 NH2 ARG 39 14.374 -12.438 -5.274 400 H ARG 39 HN ARG 39 9.380 -8.550 -7.970 401 HA ARG 39 HA ARG 39 9.800 -10.410 -10.233 402 1HB ARG 39 2HB ARG 39 12.123 -10.445 -9.639 403 2HB ARG 39 3HB ARG 39 11.577 -8.777 -9.540 404 1HG ARG 39 2HG ARG 39 12.166 -8.665 -7.367 405 2HG ARG 39 3HG ARG 39 11.160 -10.055 -6.985 406 1HD ARG 39 2HD ARG 39 12.983 -11.581 -7.704 407 2HD ARG 39 3HD ARG 39 13.995 -10.179 -8.076 408 HE ARG 39 HE ARG 39 13.947 -9.607 -5.641 409 1HH1 ARG 39 2HH1 ARG 39 11.784 -10.750 -4.535 410 2HH1 ARG 39 1HH1 ARG 39 12.258 -12.288 -3.879 411 1HH2 ARG 39 2HH2 ARG 39 15.149 -12.365 -5.898 412 2HH2 ARG 39 1HH2 ARG 39 14.285 -13.238 -4.686 413 QB ARG 39 QB ARG 39 11.850 -9.611 -9.590 414 QG ARG 39 QG ARG 39 11.663 -9.360 -7.176 415 QD ARG 39 QD ARG 39 13.489 -10.880 -7.890 416 QH1 ARG 39 QH1 ARG 39 12.021 -11.519 -4.207 417 QH2 ARG 39 QH2 ARG 39 14.717 -12.802 -5.292 418 H ALA 40 HN ALA 40 8.254 -10.847 -7.495 419 HA ALA 40 HA ALA 40 9.332 -13.601 -7.018 420 1HB ALA 40 3HB ALA 40 7.543 -11.882 -5.256 421 2HB ALA 40 1HB ALA 40 8.113 -13.502 -4.859 422 3HB ALA 40 2HB ALA 40 9.259 -12.167 -4.984 423 QB ALA 40 QB ALA 40 8.305 -12.517 -5.033 424 H GLU 41 HN GLU 41 6.423 -11.629 -7.404 425 HA GLU 41 HA GLU 41 4.668 -13.919 -7.773 426 1HB GLU 41 2HB GLU 41 4.253 -10.998 -8.564 427 2HB GLU 41 3HB GLU 41 3.002 -12.229 -8.567 428 1HG GLU 41 2HG GLU 41 3.472 -12.578 -6.082 429 2HG GLU 41 3HG GLU 41 4.503 -11.159 -6.152 430 QB GLU 41 QB GLU 41 3.627 -11.613 -8.565 431 QG GLU 41 QG GLU 41 3.987 -11.868 -6.117 432 H GLY 42 HN GLY 42 6.485 -11.768 -9.898 433 1HA GLY 42 1HA GLY 42 7.418 -12.639 -12.010 434 2HA GLY 42 2HA GLY 42 5.997 -13.675 -12.161 435 QA GLY 42 QA GLY 42 6.708 -13.157 -12.086 436 H ILE 43 HN ILE 43 6.340 -10.264 -11.399 437 HA ILE 43 HA ILE 43 4.356 -9.642 -13.539 438 HB ILE 43 HB ILE 43 5.116 -8.336 -10.913 439 1HG1 ILE 43 2HG1 ILE 43 2.459 -9.435 -11.887 440 2HG1 ILE 43 3HG1 ILE 43 3.608 -10.374 -10.946 441 1HG2 ILE 43 2HG2 ILE 43 4.647 -6.566 -12.592 442 2HG2 ILE 43 3HG2 ILE 43 3.109 -7.346 -12.964 443 3HG2 ILE 43 1HG2 ILE 43 3.392 -6.658 -11.369 444 1HD1 ILE 43 2HD1 ILE 43 2.351 -7.752 -10.059 445 2HD1 ILE 43 3HD1 ILE 43 1.881 -9.348 -9.506 446 3HD1 ILE 43 1HD1 ILE 43 3.478 -8.721 -9.114 447 QG1 ILE 43 QG1 ILE 43 3.033 -9.904 -11.417 448 QG2 ILE 43 QG2 ILE 43 3.716 -6.857 -12.308 449 QD1 ILE 43 QD1 ILE 43 2.570 -8.607 -9.560 450 H THR 44 HN THR 44 4.718 -7.994 -15.012 451 HA THR 44 HA THR 44 7.462 -6.786 -14.969 452 HB THR 44 HB THR 44 7.190 -6.693 -17.524 453 HG1 THR 44 1HG THR 44 5.324 -7.412 -18.281 454 1HG2 THR 44 3HG2 THR 44 8.406 -8.627 -16.401 455 2HG2 THR 44 1HG2 THR 44 6.863 -9.472 -16.291 456 3HG2 THR 44 2HG2 THR 44 7.558 -9.111 -17.867 457 QG2 THR 44 QG2 THR 44 7.609 -9.070 -16.853 458 H LYS 45 HN LYS 45 4.952 -5.858 -17.209 459 HA LYS 45 HA LYS 45 4.367 -3.421 -15.583 460 1HB LYS 45 2HB LYS 45 6.041 -3.435 -17.871 461 2HB LYS 45 3HB LYS 45 4.505 -2.804 -18.441 462 1HG LYS 45 2HG LYS 45 5.807 -0.925 -17.659 463 2HG LYS 45 3HG LYS 45 4.524 -1.199 -16.496 464 1HD LYS 45 2HD LYS 45 6.144 -2.507 -15.075 465 2HD LYS 45 3HD LYS 45 7.410 -2.134 -16.234 466 1HE LYS 45 2HE LYS 45 7.508 -0.580 -14.336 467 2HE LYS 45 3HE LYS 45 7.084 0.284 -15.810 468 1HZ LYS 45 2HZ LYS 45 4.678 -0.544 -14.665 469 2HZ LYS 45 3HZ LYS 45 5.609 0.125 -13.405 470 3HZ LYS 45 1HZ LYS 45 5.279 1.020 -14.804 471 QB LYS 45 QB LYS 45 5.273 -3.119 -18.156 472 QG LYS 45 QG LYS 45 5.166 -1.062 -17.078 473 QD LYS 45 QD LYS 45 6.777 -2.321 -15.655 474 QE LYS 45 QE LYS 45 7.296 -0.148 -15.073 475 QZ LYS 45 QZ LYS 45 5.189 0.200 -14.291 476 H GLU 46 HN GLU 46 3.630 -4.861 -18.712 477 HA GLU 46 HA GLU 46 1.090 -4.065 -19.253 478 1HB GLU 46 2HB GLU 46 1.943 -6.983 -19.393 479 2HB GLU 46 3HB GLU 46 0.709 -6.209 -20.376 480 1HG GLU 46 2HG GLU 46 2.382 -5.887 -21.897 481 2HG GLU 46 3HG GLU 46 2.912 -4.585 -20.839 482 QB GLU 46 QB GLU 46 1.326 -6.596 -19.885 483 QG GLU 46 QG GLU 46 2.647 -5.236 -21.368 484 H ASP 47 HN ASP 47 1.784 -6.825 -17.091 485 HA ASP 47 HA ASP 47 -0.925 -7.324 -16.388 486 1HB ASP 47 2HB ASP 47 0.947 -8.888 -15.816 487 2HB ASP 47 3HB ASP 47 1.482 -7.744 -14.587 488 QB ASP 47 QB ASP 47 1.215 -8.316 -15.201 489 H LEU 48 HN LEU 48 1.514 -5.507 -14.516 490 HA LEU 48 HA LEU 48 -0.194 -4.585 -12.486 491 1HB LEU 48 2HB LEU 48 2.150 -3.200 -13.812 492 2HB LEU 48 3HB LEU 48 1.330 -2.536 -12.399 493 HG LEU 48 HG LEU 48 2.316 -5.384 -12.461 494 1HD1 LEU 48 1HD1 LEU 48 4.233 -3.881 -12.941 495 2HD1 LEU 48 2HD1 LEU 48 3.837 -2.932 -11.509 496 3HD1 LEU 48 3HD1 LEU 48 4.374 -4.601 -11.343 497 1HD2 LEU 48 3HD2 LEU 48 0.683 -4.717 -10.677 498 2HD2 LEU 48 1HD2 LEU 48 2.254 -5.139 -10.007 499 3HD2 LEU 48 2HD2 LEU 48 1.793 -3.447 -10.169 500 QB LEU 48 QB LEU 48 1.740 -2.868 -13.105 501 QD1 LEU 48 QD1 LEU 48 4.148 -3.805 -11.931 502 QD2 LEU 48 QD2 LEU 48 1.576 -4.435 -10.285 503 QQD LEU 48 QQD LEU 48 2.862 -4.120 -11.108 504 H GLN 49 HN GLN 49 0.391 -3.061 -15.649 505 HA GLN 49 HA GLN 49 -1.378 -0.871 -15.254 506 1HB GLN 49 2HB GLN 49 0.150 -1.051 -17.164 507 2HB GLN 49 3HB GLN 49 -0.715 -2.454 -17.765 508 1HG GLN 49 2HG GLN 49 -2.209 0.123 -17.338 509 2HG GLN 49 3HG GLN 49 -1.209 -0.084 -18.768 510 1HE2 GLN 49 2HE2 GLN 49 -4.820 -1.722 -18.834 511 2HE2 GLN 49 1HE2 GLN 49 -4.348 -0.445 -17.815 512 QB GLN 49 QB GLN 49 -0.282 -1.752 -17.464 513 QG GLN 49 QG GLN 49 -1.709 0.019 -18.053 514 QE2 GLN 49 QE2 GLN 49 -4.584 -1.083 -18.324 515 H GLN 50 HN GLN 50 -1.990 -4.031 -16.744 516 HA GLN 50 HA GLN 50 -4.753 -3.855 -17.167 517 1HB GLN 50 2HB GLN 50 -3.658 -5.720 -18.085 518 2HB GLN 50 3HB GLN 50 -2.826 -6.105 -16.592 519 1HG GLN 50 2HG GLN 50 -4.954 -6.890 -15.594 520 2HG GLN 50 3HG GLN 50 -5.801 -6.458 -17.076 521 1HE2 GLN 50 2HE2 GLN 50 -3.356 -9.745 -17.048 522 2HE2 GLN 50 1HE2 GLN 50 -3.143 -8.566 -15.845 523 QB GLN 50 QB GLN 50 -3.242 -5.913 -17.338 524 QG GLN 50 QG GLN 50 -5.377 -6.674 -16.335 525 QE2 GLN 50 QE2 GLN 50 -3.250 -9.155 -16.447 526 H LYS 51 HN LYS 51 -3.267 -5.469 -14.398 527 HA LYS 51 HA LYS 51 -5.619 -5.850 -12.881 528 1HB LYS 51 2HB LYS 51 -2.747 -5.534 -11.945 529 2HB LYS 51 3HB LYS 51 -4.064 -6.194 -10.988 530 1HG LYS 51 2HG LYS 51 -4.385 -7.873 -12.957 531 2HG LYS 51 3HG LYS 51 -2.809 -7.331 -13.492 532 1HD LYS 51 2HD LYS 51 -2.584 -9.355 -12.108 533 2HD LYS 51 3HD LYS 51 -1.794 -7.979 -11.363 534 1HE LYS 51 2HE LYS 51 -3.192 -9.419 -9.798 535 2HE LYS 51 3HE LYS 51 -3.537 -7.697 -9.755 536 1HZ LYS 51 2HZ LYS 51 -5.120 -8.910 -11.741 537 2HZ LYS 51 3HZ LYS 51 -5.296 -9.782 -10.298 538 3HZ LYS 51 1HZ LYS 51 -5.624 -8.114 -10.324 539 QB LYS 51 QB LYS 51 -3.406 -5.864 -11.467 540 QG LYS 51 QG LYS 51 -3.597 -7.602 -13.224 541 QD LYS 51 QD LYS 51 -2.189 -8.667 -11.735 542 QE LYS 51 QE LYS 51 -3.364 -8.558 -9.776 543 QZ LYS 51 QZ LYS 51 -5.347 -8.935 -10.788 544 H ALA 52 HN ALA 52 -3.212 -3.292 -12.730 545 HA ALA 52 HA ALA 52 -4.231 -1.900 -10.489 546 1HB ALA 52 1HB ALA 52 -2.803 -0.822 -12.944 547 2HB ALA 52 2HB ALA 52 -2.974 0.039 -11.427 548 3HB ALA 52 3HB ALA 52 -2.017 -1.429 -11.493 549 QB ALA 52 QB ALA 52 -2.598 -0.737 -11.955 550 H GLY 53 HN GLY 53 -4.995 -1.720 -13.907 551 1HA GLY 53 1HA GLY 53 -7.127 -1.122 -14.822 552 2HA GLY 53 2HA GLY 53 -7.613 -0.507 -13.242 553 QA GLY 53 QA GLY 53 -7.370 -0.814 -14.032 554 H LYS 54 HN LYS 54 -4.682 0.195 -15.057 555 HA LYS 54 HA LYS 54 -5.572 3.052 -15.167 556 1HB LYS 54 2HB LYS 54 -2.865 1.861 -14.530 557 2HB LYS 54 3HB LYS 54 -3.006 3.511 -15.107 558 1HG LYS 54 2HG LYS 54 -4.419 2.394 -12.655 559 2HG LYS 54 3HG LYS 54 -2.979 3.407 -12.617 560 1HD LYS 54 2HD LYS 54 -4.497 5.021 -14.118 561 2HD LYS 54 3HD LYS 54 -5.805 4.145 -13.338 562 1HE LYS 54 2HE LYS 54 -5.348 6.104 -11.999 563 2HE LYS 54 3HE LYS 54 -4.758 4.711 -11.107 564 1HZ LYS 54 2HZ LYS 54 -2.653 5.597 -12.737 565 2HZ LYS 54 3HZ LYS 54 -3.324 6.971 -11.978 566 3HZ LYS 54 1HZ LYS 54 -2.780 5.700 -11.010 567 QB LYS 54 QB LYS 54 -2.936 2.686 -14.818 568 QG LYS 54 QG LYS 54 -3.699 2.901 -12.636 569 QD LYS 54 QD LYS 54 -5.151 4.583 -13.728 570 QE LYS 54 QE LYS 54 -5.053 5.408 -11.553 571 QZ LYS 54 QZ LYS 54 -2.919 6.089 -11.908 572 HA PRO 55 HA PRO 55 -3.749 2.931 -19.268 573 1HB PRO 55 2HB PRO 55 -4.359 5.559 -19.932 574 2HB PRO 55 3HB PRO 55 -5.405 4.177 -20.268 575 1HG PRO 55 2HG PRO 55 -5.771 6.316 -18.273 576 2HG PRO 55 3HG PRO 55 -6.936 5.112 -18.832 577 1HD PRO 55 2HD PRO 55 -5.426 5.104 -16.349 578 2HD PRO 55 3HD PRO 55 -6.648 3.940 -16.892 579 QB PRO 55 QB PRO 55 -4.882 4.868 -20.100 580 QG PRO 55 QG PRO 55 -6.354 5.714 -18.552 581 QD PRO 55 QD PRO 55 -6.037 4.522 -16.620 582 H VAL 56 HN VAL 56 -3.407 5.028 -16.794 583 HA VAL 56 HA VAL 56 -0.618 5.765 -17.565 584 HB VAL 56 HB VAL 56 -1.034 7.807 -15.994 585 1HG1 VAL 56 1HG1 VAL 56 -2.458 7.574 -18.674 586 2HG1 VAL 56 2HG1 VAL 56 -1.996 9.087 -17.898 587 3HG1 VAL 56 3HG1 VAL 56 -0.757 7.963 -18.451 588 1HG2 VAL 56 2HG2 VAL 56 -3.213 7.003 -15.089 589 2HG2 VAL 56 3HG2 VAL 56 -3.376 8.559 -15.889 590 3HG2 VAL 56 1HG2 VAL 56 -3.906 7.094 -16.705 591 QG1 VAL 56 QG1 VAL 56 -1.737 8.208 -18.341 592 QG2 VAL 56 QG2 VAL 56 -3.499 7.552 -15.894 593 QQG VAL 56 QQG VAL 56 -2.618 7.880 -17.118 594 H GLU 57 HN GLU 57 0.658 4.509 -16.443 595 HA GLU 57 HA GLU 57 0.071 4.011 -13.549 596 1HB GLU 57 2HB GLU 57 1.215 1.842 -13.826 597 2HB GLU 57 3HB GLU 57 -0.121 1.970 -14.968 598 1HG GLU 57 2HG GLU 57 1.380 1.521 -16.621 599 2HG GLU 57 3HG GLU 57 2.091 3.099 -16.323 600 QB GLU 57 QB GLU 57 0.547 1.906 -14.397 601 QG GLU 57 QG GLU 57 1.736 2.310 -16.472 602 H THR 58 HN THR 58 1.967 3.447 -12.311 603 HA THR 58 HA THR 58 4.609 4.418 -13.103 604 HB THR 58 HB THR 58 4.709 6.006 -11.089 605 HG1 THR 58 1HG THR 58 2.983 6.027 -9.837 606 1HG2 THR 58 2HG2 THR 58 4.109 6.968 -13.377 607 2HG2 THR 58 3HG2 THR 58 2.412 6.711 -12.980 608 3HG2 THR 58 1HG2 THR 58 3.372 7.846 -12.036 609 QG2 THR 58 QG2 THR 58 3.298 7.175 -12.797 610 H VAL 59 HN VAL 59 6.049 4.044 -10.920 611 HA VAL 59 HA VAL 59 4.874 1.631 -9.615 612 HB VAL 59 HB VAL 59 7.253 0.946 -9.145 613 1HG1 VAL 59 1HG1 VAL 59 5.931 -0.064 -10.958 614 2HG1 VAL 59 2HG1 VAL 59 6.458 1.215 -12.050 615 3HG1 VAL 59 3HG1 VAL 59 7.631 0.062 -11.413 616 1HG2 VAL 59 1HG2 VAL 59 8.301 3.154 -9.449 617 2HG2 VAL 59 2HG2 VAL 59 9.026 1.958 -10.519 618 3HG2 VAL 59 3HG2 VAL 59 7.873 3.122 -11.159 619 QG1 VAL 59 QG1 VAL 59 6.673 0.404 -11.474 620 QG2 VAL 59 QG2 VAL 59 8.400 2.744 -10.376 621 QQG VAL 59 QQG VAL 59 7.537 1.574 -10.925 622 HA PRO 60 HA PRO 60 5.337 0.325 -8.051 623 1HB PRO 60 2HB PRO 60 4.414 -0.164 -5.517 624 2HB PRO 60 3HB PRO 60 6.128 -0.248 -5.942 625 1HG PRO 60 2HG PRO 60 4.623 1.995 -4.585 626 2HG PRO 60 3HG PRO 60 6.219 1.342 -4.203 627 1HD PRO 60 2HD PRO 60 5.838 3.657 -5.678 628 2HD PRO 60 3HD PRO 60 7.258 2.611 -5.902 629 QB PRO 60 QB PRO 60 5.271 -0.206 -5.730 630 QG PRO 60 QG PRO 60 5.421 1.669 -4.394 631 QD PRO 60 QD PRO 60 6.548 3.134 -5.790 632 H GLN 61 HN GLN 61 3.131 -0.758 -7.104 633 HA GLN 61 HA GLN 61 0.913 1.212 -7.628 634 1HB GLN 61 2HB GLN 61 1.111 -1.705 -8.475 635 2HB GLN 61 3HB GLN 61 -0.363 -0.754 -8.588 636 1HG GLN 61 2HG GLN 61 2.241 0.074 -9.918 637 2HG GLN 61 3HG GLN 61 0.989 -0.850 -10.733 638 1HE2 GLN 61 2HE2 GLN 61 0.469 3.128 -10.189 639 2HE2 GLN 61 1HE2 GLN 61 1.868 2.345 -9.634 640 QB GLN 61 QB GLN 61 0.374 -1.230 -8.531 641 QG GLN 61 QG GLN 61 1.615 -0.388 -10.326 642 QE2 GLN 61 QE2 GLN 61 1.168 2.736 -9.911 643 H ILE 62 HN ILE 62 -0.946 0.974 -6.304 644 HA ILE 62 HA ILE 62 -0.556 -0.897 -4.004 645 HB ILE 62 HB ILE 62 -1.751 1.894 -3.981 646 1HG1 ILE 62 2HG1 ILE 62 0.240 2.082 -2.230 647 2HG1 ILE 62 3HG1 ILE 62 0.891 0.736 -3.161 648 1HG2 ILE 62 2HG2 ILE 62 -1.441 -0.140 -1.740 649 2HG2 ILE 62 3HG2 ILE 62 -1.854 1.554 -1.492 650 3HG2 ILE 62 1HG2 ILE 62 -2.951 0.501 -2.377 651 1HD1 ILE 62 1HD1 ILE 62 0.008 3.387 -4.328 652 2HD1 ILE 62 2HD1 ILE 62 1.678 2.898 -4.053 653 3HD1 ILE 62 3HD1 ILE 62 0.690 2.053 -5.237 654 QG1 ILE 62 QG1 ILE 62 0.565 1.409 -2.696 655 QG2 ILE 62 QG2 ILE 62 -2.082 0.638 -1.869 656 QD1 ILE 62 QD1 ILE 62 0.792 2.779 -4.539 657 H PHE 63 HN PHE 63 -2.134 -1.909 -3.214 658 HA PHE 63 HA PHE 63 -4.867 -1.754 -4.435 659 1HB PHE 63 2HB PHE 63 -3.145 -4.136 -3.655 660 2HB PHE 63 3HB PHE 63 -4.897 -4.276 -3.721 661 HD1 PHE 63 2HD PHE 63 -1.868 -3.584 -5.769 662 HD2 PHE 63 1HD PHE 63 -6.062 -4.340 -5.824 663 HE1 PHE 63 2HE PHE 63 -1.794 -3.872 -8.217 664 HE2 PHE 63 1HE PHE 63 -5.986 -4.603 -8.259 665 HZ PHE 63 HZ PHE 63 -3.867 -4.307 -9.453 666 QB PHE 63 QB PHE 63 -4.021 -4.206 -3.688 667 QR PHE 63 QR PHE 63 -3.927 -4.100 -7.017 668 H VAL 64 HN VAL 64 -6.368 -1.228 -2.858 669 HA VAL 64 HA VAL 64 -5.434 -1.536 -0.027 670 HB VAL 64 HB VAL 64 -7.555 0.206 -1.336 671 1HG1 VAL 64 3HG1 VAL 64 -7.093 -0.170 1.650 672 2HG1 VAL 64 1HG1 VAL 64 -8.044 1.115 0.928 673 3HG1 VAL 64 2HG1 VAL 64 -8.589 -0.542 0.784 674 1HG2 VAL 64 1HG2 VAL 64 -5.160 0.960 -1.258 675 2HG2 VAL 64 2HG2 VAL 64 -6.213 1.992 -0.290 676 3HG2 VAL 64 3HG2 VAL 64 -5.196 0.786 0.493 677 QG1 VAL 64 QG1 VAL 64 -7.909 0.134 1.121 678 QG2 VAL 64 QG2 VAL 64 -5.523 1.246 -0.351 679 QQG VAL 64 QQG VAL 64 -6.716 0.690 0.385 680 H ASP 65 HN ASP 65 -7.640 -1.916 1.351 681 HA ASP 65 HA ASP 65 -8.222 -4.579 1.347 682 1HB ASP 65 2HB ASP 65 -8.841 -2.918 3.073 683 2HB ASP 65 3HB ASP 65 -10.105 -2.306 2.041 684 QB ASP 65 QB ASP 65 -9.473 -2.612 2.557 685 H GLN 66 HN GLN 66 -9.889 -2.148 -0.524 686 HA GLN 66 HA GLN 66 -11.749 -4.204 -1.521 687 1HB GLN 66 2HB GLN 66 -11.706 -1.272 -2.283 688 2HB GLN 66 3HB GLN 66 -13.021 -2.409 -2.498 689 1HG GLN 66 2HG GLN 66 -13.661 -1.279 -0.533 690 2HG GLN 66 3HG GLN 66 -12.890 -2.726 0.098 691 1HE2 GLN 66 2HE2 GLN 66 -10.220 0.333 0.241 692 2HE2 GLN 66 1HE2 GLN 66 -10.775 -0.255 -1.247 693 QB GLN 66 QB GLN 66 -12.363 -1.840 -2.391 694 QG GLN 66 QG GLN 66 -13.275 -2.003 -0.217 695 QE2 GLN 66 QE2 GLN 66 -10.498 0.039 -0.503 696 H GLN 67 HN GLN 67 -10.078 -1.644 -3.448 697 HA GLN 67 HA GLN 67 -9.384 -3.760 -5.412 698 1HB GLN 67 2HB GLN 67 -10.173 -2.184 -7.128 699 2HB GLN 67 3HB GLN 67 -11.461 -2.599 -6.037 700 1HG GLN 67 2HG GLN 67 -11.401 -0.482 -4.981 701 2HG GLN 67 3HG GLN 67 -9.776 -0.131 -5.565 702 1HE2 GLN 67 2HE2 GLN 67 -10.870 1.192 -8.636 703 2HE2 GLN 67 1HE2 GLN 67 -9.553 0.790 -7.633 704 QB GLN 67 QB GLN 67 -10.817 -2.392 -6.583 705 QG GLN 67 QG GLN 67 -10.588 -0.307 -5.273 706 QE2 GLN 67 QE2 GLN 67 -10.212 0.991 -8.135 707 H HIS 68 HN HIS 68 -8.257 -2.263 -7.367 708 HA HIS 68 HA HIS 68 -5.680 -1.539 -6.240 709 1HB HIS 68 2HB HIS 68 -5.903 -2.346 -8.590 710 2HB HIS 68 3HB HIS 68 -6.780 -0.896 -8.985 711 HD1 HIS 68 HD1 HIS 68 -5.386 0.794 -9.919 712 HD2 HIS 68 HD2 HIS 68 -3.131 -1.509 -7.373 713 HE1 HIS 68 HE1 HIS 68 -3.048 1.796 -9.896 714 QB HIS 68 QB HIS 68 -6.341 -1.621 -8.788 715 H ILE 69 HN ILE 69 -4.986 0.579 -5.821 716 HA ILE 69 HA ILE 69 -7.184 2.605 -5.826 717 HB ILE 69 HB ILE 69 -4.731 2.393 -4.053 718 1HG1 ILE 69 2HG1 ILE 69 -6.187 0.646 -3.366 719 2HG1 ILE 69 3HG1 ILE 69 -6.574 1.986 -2.306 720 1HG2 ILE 69 1HG2 ILE 69 -7.127 4.244 -3.916 721 2HG2 ILE 69 2HG2 ILE 69 -5.858 4.137 -2.701 722 3HG2 ILE 69 3HG2 ILE 69 -5.479 4.719 -4.321 723 1HD1 ILE 69 2HD1 ILE 69 -8.533 2.564 -3.677 724 2HD1 ILE 69 3HD1 ILE 69 -8.185 1.216 -4.750 725 3HD1 ILE 69 1HD1 ILE 69 -8.638 0.913 -3.085 726 QG1 ILE 69 QG1 ILE 69 -6.381 1.316 -2.836 727 QG2 ILE 69 QG2 ILE 69 -6.155 4.367 -3.646 728 QD1 ILE 69 QD1 ILE 69 -8.452 1.565 -3.837 729 H GLY 70 HN GLY 70 -3.808 2.060 -6.634 730 1HA GLY 70 1HA GLY 70 -3.436 3.443 -8.860 731 2HA GLY 70 2HA GLY 70 -3.669 4.797 -7.782 732 QA GLY 70 QA GLY 70 -3.552 4.120 -8.321 733 H GLY 71 HN GLY 71 -1.566 5.570 -8.091 734 1HA GLY 71 1HA GLY 71 0.695 3.787 -7.295 735 2HA GLY 71 2HA GLY 71 0.850 5.349 -8.098 736 QA GLY 71 QA GLY 71 0.772 4.568 -7.697 737 OH TYR 72 OH TYR 72 3.850 8.950 1.092 738 H TYR 72 HN TYR 72 2.493 5.538 -6.258 739 HA TYR 72 HA TYR 72 1.759 5.691 -3.542 740 1HB TYR 72 2HB TYR 72 4.121 5.936 -4.287 741 2HB TYR 72 3HB TYR 72 3.752 7.544 -4.915 742 HD1 TYR 72 HD2 TYR 72 4.096 5.513 -1.832 743 HD2 TYR 72 HD1 TYR 72 3.377 9.416 -3.383 744 HE1 TYR 72 HE2 TYR 72 4.173 6.437 0.438 745 HE2 TYR 72 HE1 TYR 72 3.470 10.328 -1.116 746 HH TYR 72 HH TYR 72 3.192 9.653 1.141 747 QB TYR 72 QB TYR 72 3.937 6.740 -4.601 748 QR TYR 72 QR TYR 72 3.779 7.924 -1.474 749 H THR 73 HN THR 73 1.573 8.342 -5.954 750 HA THR 73 HA THR 73 0.540 10.276 -4.107 751 HB THR 73 HB THR 73 -0.431 11.226 -6.427 752 HG1 THR 73 1HG THR 73 -0.288 9.540 -7.762 753 1HG2 THR 73 1HG2 THR 73 2.568 10.673 -6.160 754 2HG2 THR 73 2HG2 THR 73 1.830 11.936 -7.137 755 3HG2 THR 73 3HG2 THR 73 1.751 12.029 -5.379 756 QG2 THR 73 QG2 THR 73 2.050 11.546 -6.225 757 H ASP 74 HN ASP 74 -1.149 8.492 -6.609 758 HA ASP 74 HA ASP 74 -3.802 9.028 -6.088 759 1HB ASP 74 2HB ASP 74 -2.844 6.199 -6.599 760 2HB ASP 74 3HB ASP 74 -4.357 6.917 -7.115 761 QB ASP 74 QB ASP 74 -3.600 6.558 -6.857 762 H PHE 75 HN PHE 75 -1.942 6.404 -4.635 763 HA PHE 75 HA PHE 75 -3.925 5.546 -2.781 764 1HB PHE 75 2HB PHE 75 -1.999 4.146 -3.356 765 2HB PHE 75 3HB PHE 75 -0.892 5.348 -2.716 766 HD1 PHE 75 2HD PHE 75 -3.987 3.599 -1.462 767 HD2 PHE 75 1HD PHE 75 0.021 4.784 -0.666 768 HE1 PHE 75 2HE PHE 75 -4.088 2.511 0.738 769 HE2 PHE 75 1HE PHE 75 -0.079 3.672 1.513 770 HZ PHE 75 HZ PHE 75 -2.138 2.533 2.212 771 QB PHE 75 QB PHE 75 -1.445 4.747 -3.036 772 QR PHE 75 QR PHE 75 -2.033 3.641 0.031 773 H ALA 76 HN ALA 76 -1.029 7.572 -2.218 774 HA ALA 76 HA ALA 76 -1.395 8.265 0.441 775 1HB ALA 76 3HB ALA 76 -0.623 10.141 -1.828 776 2HB ALA 76 1HB ALA 76 -0.302 10.431 -0.121 777 3HB ALA 76 2HB ALA 76 0.476 9.087 -0.947 778 QB ALA 76 QB ALA 76 -0.150 9.886 -0.966 779 H ALA 77 HN ALA 77 -2.818 9.974 -2.311 780 HA ALA 77 HA ALA 77 -4.449 11.774 -0.804 781 1HB ALA 77 3HB ALA 77 -4.932 10.620 -3.584 782 2HB ALA 77 1HB ALA 77 -5.733 12.039 -2.916 783 3HB ALA 77 2HB ALA 77 -4.004 12.073 -3.229 784 QB ALA 77 QB ALA 77 -4.889 11.577 -3.243 785 CH2 TRP 78 CH2 TRP 78 -9.170 3.253 1.304 786 H TRP 78 HN TRP 78 -5.361 8.774 -2.491 787 HA TRP 78 HA TRP 78 -7.966 8.457 -1.656 788 1HB TRP 78 2HB TRP 78 -6.673 6.837 -3.049 789 2HB TRP 78 3HB TRP 78 -5.886 6.262 -1.607 790 HD1 TRP 78 HD1 TRP 78 -9.198 6.003 -3.503 791 HE1 TRP 78 HE1 TRP 78 -10.737 4.374 -2.372 792 HE3 TRP 78 HE3 TRP 78 -6.465 5.173 0.589 793 HZ2 TRP 78 HZ2 TRP 78 -10.840 2.928 0.026 794 HZ3 TRP 78 HZ3 TRP 78 -7.383 3.727 2.371 795 HH2 TRP 78 HH2 TRP 78 -9.550 2.618 2.091 796 QB TRP 78 QB TRP 78 -6.279 6.549 -2.328 797 H VAL 79 HN VAL 79 -5.076 7.597 0.186 798 HA VAL 79 HA VAL 79 -6.394 6.703 2.564 799 HB VAL 79 HB VAL 79 -3.646 7.964 2.192 800 1HG1 VAL 79 1HG1 VAL 79 -4.736 6.323 4.503 801 2HG1 VAL 79 2HG1 VAL 79 -3.073 6.870 4.339 802 3HG1 VAL 79 3HG1 VAL 79 -4.364 8.038 4.566 803 1HG2 VAL 79 3HG2 VAL 79 -4.022 5.879 0.906 804 2HG2 VAL 79 1HG2 VAL 79 -2.878 5.611 2.214 805 3HG2 VAL 79 2HG2 VAL 79 -4.545 5.070 2.374 806 QG1 VAL 79 QG1 VAL 79 -4.058 7.077 4.469 807 QG2 VAL 79 QG2 VAL 79 -3.815 5.520 1.831 808 QQG VAL 79 QQG VAL 79 -3.936 6.298 3.150 809 H LYS 80 HN LYS 80 -5.313 9.884 1.503 810 HA LYS 80 HA LYS 80 -6.383 11.142 3.932 811 1HB LYS 80 2HB LYS 80 -4.315 11.701 2.063 812 2HB LYS 80 3HB LYS 80 -5.470 13.026 1.997 813 1HG LYS 80 2HG LYS 80 -3.828 13.487 3.733 814 2HG LYS 80 3HG LYS 80 -5.397 13.196 4.468 815 1HD LYS 80 2HD LYS 80 -3.945 10.687 4.224 816 2HD LYS 80 3HD LYS 80 -2.941 11.871 5.039 817 1HE LYS 80 2HE LYS 80 -4.093 11.097 6.876 818 2HE LYS 80 3HE LYS 80 -5.220 12.349 6.380 819 1HZ LYS 80 1HZ LYS 80 -5.840 9.973 4.981 820 2HZ LYS 80 2HZ LYS 80 -5.694 9.632 6.631 821 3HZ LYS 80 3HZ LYS 80 -6.778 10.832 6.107 822 QB LYS 80 QB LYS 80 -4.892 12.364 2.030 823 QG LYS 80 QG LYS 80 -4.612 13.342 4.100 824 QD LYS 80 QD LYS 80 -3.443 11.279 4.631 825 QE LYS 80 QE LYS 80 -4.656 11.723 6.628 826 QZ LYS 80 QZ LYS 80 -6.104 10.146 5.906 827 H GLU 81 HN GLU 81 -8.051 9.918 1.704 828 HA GLU 81 HA GLU 81 -9.933 12.233 1.528 829 1HB GLU 81 2HB GLU 81 -9.229 10.273 -0.687 830 2HB GLU 81 3HB GLU 81 -10.550 11.432 -0.772 831 1HG GLU 81 2HG GLU 81 -9.032 13.304 -0.618 832 2HG GLU 81 3HG GLU 81 -7.676 12.262 -0.229 833 QB GLU 81 QB GLU 81 -9.890 10.853 -0.729 834 QG GLU 81 QG GLU 81 -8.354 12.783 -0.423 835 H ASN 82 HN ASN 82 -9.552 8.728 1.410 836 HA ASN 82 HA ASN 82 -12.429 8.322 1.926 837 1HB ASN 82 2HB ASN 82 -10.133 6.497 1.211 838 2HB ASN 82 3HB ASN 82 -11.573 5.822 1.954 839 1HD2 ASN 82 2HD2 ASN 82 -12.241 7.701 -1.633 840 2HD2 ASN 82 1HD2 ASN 82 -11.257 8.456 -0.472 841 QB ASN 82 QB ASN 82 -10.853 6.159 1.582 842 QD2 ASN 82 QD2 ASN 82 -11.749 8.079 -1.053 843 H LEU 83 HN LEU 83 -9.436 8.315 3.776 844 HA LEU 83 HA LEU 83 -10.871 6.881 5.987 845 1HB LEU 83 2HB LEU 83 -7.965 7.740 5.917 846 2HB LEU 83 3HB LEU 83 -8.718 6.665 7.081 847 HG LEU 83 HG LEU 83 -8.283 6.107 4.124 848 1HD1 LEU 83 2HD1 LEU 83 -6.308 5.889 5.626 849 2HD1 LEU 83 3HD1 LEU 83 -7.211 4.772 6.639 850 3HD1 LEU 83 1HD1 LEU 83 -6.808 4.332 4.982 851 1HD2 LEU 83 2HD2 LEU 83 -9.618 4.391 6.262 852 2HD2 LEU 83 3HD2 LEU 83 -10.430 5.113 4.875 853 3HD2 LEU 83 1HD2 LEU 83 -9.227 3.858 4.632 854 QB LEU 83 QB LEU 83 -8.342 7.202 6.499 855 QD1 LEU 83 QD1 LEU 83 -6.776 4.997 5.749 856 QD2 LEU 83 QD2 LEU 83 -9.758 4.454 5.256 857 QQD LEU 83 QQD LEU 83 -8.267 4.726 5.502 858 H ASP 84 HN ASP 84 -10.914 9.864 4.988 859 HA ASP 84 HA ASP 84 -10.535 11.085 7.696 860 1HB ASP 84 2HB ASP 84 -10.444 12.414 4.966 861 2HB ASP 84 3HB ASP 84 -10.133 13.203 6.510 862 QB ASP 84 QB ASP 84 -10.288 12.809 5.738 863 H ALA 85 HN ALA 85 -12.454 11.762 4.775 864 HA ALA 85 HA ALA 85 -14.844 12.084 6.533 865 1HB ALA 85 3HB ALA 85 -14.040 14.320 5.793 866 2HB ALA 85 1HB ALA 85 -14.130 13.792 4.116 867 3HB ALA 85 2HB ALA 85 -15.601 13.944 5.068 868 QB ALA 85 QB ALA 85 -14.591 14.019 4.992 Start of MODEL 8 Raw file had 868 H/Q atoms Start of MODEL 8 1 H MET 1 HN MET 1 -7.360 -3.078 8.575 2 HA MET 1 HA MET 1 -8.479 -3.919 6.111 3 1HB MET 1 2HB MET 1 -8.106 -1.526 6.858 4 2HB MET 1 3HB MET 1 -6.380 -1.768 6.666 5 1HG MET 1 2HG MET 1 -6.645 -2.176 4.286 6 2HG MET 1 3HG MET 1 -8.381 -2.123 4.440 7 1HE MET 1 3HE MET 1 -9.646 -0.627 3.736 8 2HE MET 1 1HE MET 1 -9.690 0.432 5.147 9 3HE MET 1 2HE MET 1 -9.418 1.102 3.538 10 QB MET 1 QB MET 1 -7.243 -1.647 6.762 11 QG MET 1 QG MET 1 -7.513 -2.149 4.363 12 QE MET 1 QE MET 1 -9.585 0.302 4.140 13 H GLN 2 HN GLN 2 -7.336 -4.571 4.148 14 HA GLN 2 HA GLN 2 -4.578 -5.613 4.684 15 1HB GLN 2 2HB GLN 2 -6.683 -6.852 2.884 16 2HB GLN 2 3HB GLN 2 -5.085 -7.481 3.211 17 1HG GLN 2 2HG GLN 2 -5.614 -8.033 5.461 18 2HG GLN 2 3HG GLN 2 -7.040 -6.994 5.467 19 1HE2 GLN 2 2HE2 GLN 2 -8.810 -9.324 3.230 20 2HE2 GLN 2 1HE2 GLN 2 -8.421 -7.665 3.249 21 QB GLN 2 QB GLN 2 -5.884 -7.167 3.048 22 QG GLN 2 QG GLN 2 -6.327 -7.514 5.464 23 QE2 GLN 2 QE2 GLN 2 -8.616 -8.495 3.240 24 H THR 3 HN THR 3 -3.771 -3.648 3.806 25 HA THR 3 HA THR 3 -4.375 -3.047 0.993 26 HB THR 3 HB THR 3 -2.335 -1.730 2.865 27 HG1 THR 3 1HG THR 3 -4.120 -1.064 3.851 28 1HG2 THR 3 2HG2 THR 3 -3.971 -0.707 0.500 29 2HG2 THR 3 3HG2 THR 3 -2.817 0.236 1.431 30 3HG2 THR 3 1HG2 THR 3 -2.258 -1.085 0.414 31 QG2 THR 3 QG2 THR 3 -3.015 -0.519 0.782 32 H VAL 4 HN VAL 4 -3.116 -3.714 -0.696 33 HA VAL 4 HA VAL 4 -0.586 -5.226 -0.057 34 HB VAL 4 HB VAL 4 -2.591 -5.562 -2.322 35 1HG1 VAL 4 3HG1 VAL 4 -0.013 -7.071 -1.715 36 2HG1 VAL 4 1HG1 VAL 4 -1.180 -7.501 -2.964 37 3HG1 VAL 4 2HG1 VAL 4 -0.278 -5.997 -3.089 38 1HG2 VAL 4 3HG2 VAL 4 -3.328 -6.482 -0.136 39 2HG2 VAL 4 1HG2 VAL 4 -2.974 -7.774 -1.279 40 3HG2 VAL 4 2HG2 VAL 4 -1.819 -7.380 -0.008 41 QG1 VAL 4 QG1 VAL 4 -0.490 -6.856 -2.589 42 QG2 VAL 4 QG2 VAL 4 -2.707 -7.212 -0.474 43 QQG VAL 4 QQG VAL 4 -1.599 -7.034 -1.532 44 H ILE 5 HN ILE 5 1.209 -4.612 -1.024 45 HA ILE 5 HA ILE 5 1.036 -2.341 -2.977 46 HB ILE 5 HB ILE 5 3.340 -3.108 -1.141 47 1HG1 ILE 5 2HG1 ILE 5 1.417 -0.772 -0.814 48 2HG1 ILE 5 3HG1 ILE 5 1.220 -2.297 0.043 49 1HG2 ILE 5 3HG2 ILE 5 3.995 -1.875 -3.203 50 2HG2 ILE 5 1HG2 ILE 5 2.834 -0.604 -2.812 51 3HG2 ILE 5 2HG2 ILE 5 4.232 -0.883 -1.771 52 1HD1 ILE 5 2HD1 ILE 5 3.668 -0.509 0.185 53 2HD1 ILE 5 3HD1 ILE 5 2.434 -0.659 1.434 54 3HD1 ILE 5 1HD1 ILE 5 3.463 -2.037 1.036 55 QG1 ILE 5 QG1 ILE 5 1.319 -1.534 -0.386 56 QG2 ILE 5 QG2 ILE 5 3.687 -1.121 -2.596 57 QD1 ILE 5 QD1 ILE 5 3.189 -1.068 0.885 58 H PHE 6 HN PHE 6 1.576 -2.903 -5.019 59 HA PHE 6 HA PHE 6 3.146 -5.373 -5.522 60 1HB PHE 6 2HB PHE 6 1.734 -3.425 -7.409 61 2HB PHE 6 3HB PHE 6 2.558 -4.884 -7.926 62 HD1 PHE 6 1HD PHE 6 1.420 -6.419 -5.308 63 HD2 PHE 6 2HD PHE 6 -0.342 -4.232 -8.503 64 HE1 PHE 6 1HE PHE 6 -0.576 -7.829 -5.174 65 HE2 PHE 6 2HE PHE 6 -2.357 -5.631 -8.352 66 HZ PHE 6 HZ PHE 6 -2.463 -7.456 -6.704 67 QB PHE 6 QB PHE 6 2.146 -4.154 -7.668 68 QR PHE 6 QR PHE 6 -0.464 -6.028 -6.834 69 H GLY 7 HN GLY 7 5.169 -4.537 -4.748 70 1HA GLY 7 1HA GLY 7 6.217 -2.236 -6.381 71 2HA GLY 7 2HA GLY 7 6.691 -2.510 -4.708 72 QA GLY 7 QA GLY 7 6.454 -2.373 -5.545 73 NH1 ARG 8 NH2 ARG 8 11.158 -6.432 -8.459 74 NH2 ARG 8 NH1 ARG 8 12.943 -5.814 -7.176 75 H ARG 8 HN ARG 8 8.828 -2.394 -5.823 76 HA ARG 8 HA ARG 8 9.568 -5.064 -6.927 77 1HB ARG 8 2HB ARG 8 10.436 -2.275 -7.500 78 2HB ARG 8 3HB ARG 8 11.753 -3.428 -7.390 79 1HG ARG 8 2HG ARG 8 9.853 -4.696 -9.000 80 2HG ARG 8 3HG ARG 8 9.748 -3.020 -9.488 81 1HD ARG 8 2HD ARG 8 11.465 -4.165 -10.834 82 2HD ARG 8 3HD ARG 8 12.207 -2.941 -9.821 83 HE ARG 8 HE ARG 8 13.541 -5.030 -9.589 84 1HH1 ARG 8 2HH2 ARG 8 10.662 -6.334 -9.317 85 2HH1 ARG 8 1HH2 ARG 8 10.802 -7.036 -7.746 86 1HH2 ARG 8 2HH1 ARG 8 13.721 -5.197 -7.034 87 2HH2 ARG 8 1HH1 ARG 8 12.706 -6.484 -6.457 88 QB ARG 8 QB ARG 8 11.094 -2.851 -7.445 89 QG ARG 8 QG ARG 8 9.800 -3.858 -9.244 90 QD ARG 8 QD ARG 8 11.836 -3.553 -10.328 91 QH1 ARG 8 QH2 ARG 8 10.732 -6.685 -8.532 92 QH2 ARG 8 QH1 ARG 8 13.213 -5.841 -6.745 93 H SER 9 HN SER 9 10.896 -6.274 -5.764 94 HA SER 9 HA SER 9 11.672 -5.589 -3.107 95 1HB SER 9 2HB SER 9 13.182 -7.735 -3.485 96 2HB SER 9 3HB SER 9 11.419 -7.917 -3.521 97 HG SER 9 HG SER 9 11.574 -8.431 -5.535 98 QB SER 9 QB SER 9 12.301 -7.826 -3.503 99 H GLY 10 HN GLY 10 12.896 -3.726 -3.112 100 1HA GLY 10 1HA GLY 10 15.228 -3.010 -2.744 101 2HA GLY 10 2HA GLY 10 15.708 -4.040 -4.087 102 QA GLY 10 QA GLY 10 15.468 -3.525 -3.415 103 H CYS 11 HN CYS 11 12.847 -2.144 -4.405 104 HA CYS 11 HA CYS 11 14.238 -0.446 -6.410 105 1HB CYS 11 2HB CYS 11 12.500 -1.436 -7.498 106 2HB CYS 11 3HB CYS 11 11.528 -1.544 -6.052 107 QB CYS 11 QB CYS 11 12.014 -1.490 -6.775 108 HA PRO 12 HA PRO 12 14.517 2.350 -3.184 109 1HB PRO 12 2HB PRO 12 15.039 4.694 -4.604 110 2HB PRO 12 3HB PRO 12 16.236 3.436 -4.269 111 1HG PRO 12 2HG PRO 12 14.649 3.922 -6.791 112 2HG PRO 12 3HG PRO 12 16.330 3.401 -6.627 113 1HD PRO 12 2HD PRO 12 14.303 1.653 -7.223 114 2HD PRO 12 3HD PRO 12 15.724 1.154 -6.279 115 QB PRO 12 QB PRO 12 15.637 4.065 -4.437 116 QG PRO 12 QG PRO 12 15.490 3.661 -6.709 117 QD PRO 12 QD PRO 12 15.014 1.404 -6.751 118 OH TYR 13 OH TYR 13 6.118 8.573 -5.951 119 H TYR 13 HN TYR 13 12.394 3.153 -5.814 120 HA TYR 13 HA TYR 13 10.909 5.128 -4.174 121 1HB TYR 13 2HB TYR 13 11.422 5.560 -6.612 122 2HB TYR 13 3HB TYR 13 10.341 4.235 -7.020 123 HD1 TYR 13 HD2 TYR 13 10.249 7.242 -4.743 124 HD2 TYR 13 HD1 TYR 13 8.175 4.886 -7.620 125 HE1 TYR 13 HE2 TYR 13 8.368 8.807 -4.670 126 HE2 TYR 13 HE1 TYR 13 6.264 6.419 -7.490 127 HH TYR 13 HH TYR 13 5.541 8.450 -6.713 128 QB TYR 13 QB TYR 13 10.881 4.898 -6.816 129 QR TYR 13 QR TYR 13 8.264 6.839 -6.131 130 H CYS 14 HN CYS 14 10.450 1.898 -5.602 131 HA CYS 14 HA CYS 14 7.661 1.649 -5.193 132 1HB CYS 14 2HB CYS 14 9.760 -0.477 -4.696 133 2HB CYS 14 3HB CYS 14 8.066 -0.755 -5.019 134 QB CYS 14 QB CYS 14 8.913 -0.616 -4.858 135 H VAL 15 HN VAL 15 10.328 1.062 -2.995 136 HA VAL 15 HA VAL 15 9.036 0.145 -0.721 137 HB VAL 15 HB VAL 15 11.262 2.202 -0.799 138 1HG1 VAL 15 2HG1 VAL 15 10.177 1.926 1.453 139 2HG1 VAL 15 3HG1 VAL 15 10.465 0.194 1.354 140 3HG1 VAL 15 1HG1 VAL 15 11.822 1.311 1.435 141 1HG2 VAL 15 2HG2 VAL 15 11.281 -0.847 -0.724 142 2HG2 VAL 15 3HG2 VAL 15 11.726 0.134 -2.112 143 3HG2 VAL 15 1HG2 VAL 15 12.709 0.181 -0.654 144 QG1 VAL 15 QG1 VAL 15 10.821 1.144 1.414 145 QG2 VAL 15 QG2 VAL 15 11.905 -0.177 -1.163 146 QQG VAL 15 QQG VAL 15 11.363 0.483 0.125 147 NH1 ARG 16 NH2 ARG 16 12.721 4.771 0.061 148 NH2 ARG 16 NH1 ARG 16 11.467 5.053 1.970 149 H ARG 16 HN ARG 16 9.160 3.514 -1.828 150 HA ARG 16 HA ARG 16 8.143 4.934 0.370 151 1HB ARG 16 2HB ARG 16 7.814 5.326 -2.581 152 2HB ARG 16 3HB ARG 16 7.011 6.397 -1.447 153 1HG ARG 16 2HG ARG 16 9.295 7.216 -2.160 154 2HG ARG 16 3HG ARG 16 9.123 7.032 -0.422 155 1HD ARG 16 2HD ARG 16 10.313 4.835 -2.148 156 2HD ARG 16 3HD ARG 16 11.294 6.136 -1.495 157 HE ARG 16 HE ARG 16 9.708 4.320 0.343 158 1HH1 ARG 16 2HH2 ARG 16 12.721 4.599 -0.933 159 2HH1 ARG 16 1HH2 ARG 16 13.587 4.833 0.562 160 1HH2 ARG 16 2HH1 ARG 16 10.552 5.083 2.403 161 2HH2 ARG 16 1HH1 ARG 16 12.275 5.129 2.549 162 QB ARG 16 QB ARG 16 7.412 5.862 -2.014 163 QG ARG 16 QG ARG 16 9.209 7.124 -1.291 164 QD ARG 16 QD ARG 16 10.804 5.485 -1.822 165 QH1 ARG 16 QH2 ARG 16 13.154 4.716 -0.186 166 QH2 ARG 16 QH1 ARG 16 11.413 5.106 2.476 167 H ALA 17 HN ALA 17 6.321 2.920 -1.842 168 HA ALA 17 HA ALA 17 3.699 3.738 -0.872 169 1HB ALA 17 3HB ALA 17 4.629 1.095 -2.050 170 2HB ALA 17 1HB ALA 17 2.948 1.582 -1.858 171 3HB ALA 17 2HB ALA 17 3.995 2.449 -2.974 172 QB ALA 17 QB ALA 17 3.857 1.709 -2.294 173 H LYS 18 HN LYS 18 6.051 1.279 0.103 174 HA LYS 18 HA LYS 18 4.311 0.199 2.166 175 1HB LYS 18 2HB LYS 18 5.945 -1.255 1.216 176 2HB LYS 18 3HB LYS 18 7.249 -0.123 1.528 177 1HG LYS 18 2HG LYS 18 5.638 -1.027 3.883 178 2HG LYS 18 3HG LYS 18 6.729 -2.202 3.159 179 1HD LYS 18 2HD LYS 18 8.622 -0.746 3.431 180 2HD LYS 18 3HD LYS 18 7.620 0.605 3.904 181 1HE LYS 18 2HE LYS 18 7.732 -1.980 5.483 182 2HE LYS 18 3HE LYS 18 8.722 -0.571 5.859 183 1HZ LYS 18 3HZ LYS 18 6.095 0.330 5.534 184 2HZ LYS 18 1HZ LYS 18 6.029 -1.058 6.505 185 3HZ LYS 18 2HZ LYS 18 7.008 0.238 6.983 186 QB LYS 18 QB LYS 18 6.597 -0.689 1.372 187 QG LYS 18 QG LYS 18 6.183 -1.615 3.521 188 QD LYS 18 QD LYS 18 8.121 -0.070 3.668 189 QE LYS 18 QE LYS 18 8.227 -1.276 5.671 190 QZ LYS 18 QZ LYS 18 6.378 -0.163 6.341 191 H ASP 19 HN ASP 19 6.856 2.648 2.073 192 HA ASP 19 HA ASP 19 7.261 2.973 4.823 193 1HB ASP 19 2HB ASP 19 6.983 5.103 2.673 194 2HB ASP 19 3HB ASP 19 7.528 5.429 4.308 195 QB ASP 19 QB ASP 19 7.256 5.266 3.491 196 H LEU 20 HN LEU 20 4.814 4.637 2.861 197 HA LEU 20 HA LEU 20 3.387 5.928 4.861 198 1HB LEU 20 2HB LEU 20 2.827 6.238 2.552 199 2HB LEU 20 3HB LEU 20 2.346 4.561 2.373 200 HG LEU 20 HG LEU 20 0.399 4.905 3.815 201 1HD1 LEU 20 2HD1 LEU 20 1.466 7.739 4.173 202 2HD1 LEU 20 3HD1 LEU 20 -0.095 7.162 4.750 203 3HD1 LEU 20 1HD1 LEU 20 1.387 6.510 5.428 204 1HD2 LEU 20 3HD2 LEU 20 0.738 7.189 1.842 205 2HD2 LEU 20 1HD2 LEU 20 0.191 5.567 1.434 206 3HD2 LEU 20 2HD2 LEU 20 -0.806 6.600 2.461 207 QB LEU 20 QB LEU 20 2.587 5.400 2.463 208 QD1 LEU 20 QD1 LEU 20 0.919 7.137 4.784 209 QD2 LEU 20 QD2 LEU 20 0.041 6.452 1.912 210 QQD LEU 20 QQD LEU 20 0.480 6.795 3.348 211 H ALA 21 HN ALA 21 2.410 2.693 3.691 212 HA ALA 21 HA ALA 21 0.354 2.110 5.412 213 1HB ALA 21 3HB ALA 21 2.590 0.199 4.637 214 2HB ALA 21 1HB ALA 21 1.032 -0.286 5.300 215 3HB ALA 21 2HB ALA 21 1.108 0.505 3.732 216 QB ALA 21 QB ALA 21 1.577 0.139 4.556 217 H GLU 22 HN GLU 22 3.797 2.001 6.379 218 HA GLU 22 HA GLU 22 3.420 0.802 8.925 219 1HB GLU 22 2HB GLU 22 5.556 1.860 7.568 220 2HB GLU 22 3HB GLU 22 5.331 3.085 8.803 221 1HG GLU 22 2HG GLU 22 6.757 1.585 9.871 222 2HG GLU 22 3HG GLU 22 5.197 1.022 10.448 223 QB GLU 22 QB GLU 22 5.443 2.472 8.185 224 QG GLU 22 QG GLU 22 5.977 1.303 10.159 225 H LYS 23 HN LYS 23 3.380 4.200 8.013 226 HA LYS 23 HA LYS 23 2.903 5.474 10.457 227 1HB LYS 23 2HB LYS 23 3.128 6.478 8.104 228 2HB LYS 23 3HB LYS 23 1.426 6.138 7.885 229 1HG LYS 23 2HG LYS 23 2.455 7.831 10.187 230 2HG LYS 23 3HG LYS 23 2.052 8.530 8.625 231 1HD LYS 23 2HD LYS 23 -0.211 7.086 9.106 232 2HD LYS 23 3HD LYS 23 0.279 7.454 10.753 233 1HE LYS 23 2HE LYS 23 0.431 9.888 10.095 234 2HE LYS 23 3HE LYS 23 -0.234 9.464 8.523 235 1HZ LYS 23 2HZ LYS 23 -1.818 8.364 10.582 236 2HZ LYS 23 3HZ LYS 23 -1.637 10.015 10.860 237 3HZ LYS 23 1HZ LYS 23 -2.290 9.459 9.368 238 QB LYS 23 QB LYS 23 2.277 6.308 7.994 239 QG LYS 23 QG LYS 23 2.254 8.180 9.406 240 QD LYS 23 QD LYS 23 0.034 7.270 9.930 241 QE LYS 23 QE LYS 23 0.098 9.676 9.309 242 QZ LYS 23 QZ LYS 23 -1.915 9.279 10.270 243 H LEU 24 HN LEU 24 0.562 3.979 8.343 244 HA LEU 24 HA LEU 24 -1.779 4.533 9.966 245 1HB LEU 24 2HB LEU 24 -1.507 2.365 7.867 246 2HB LEU 24 3HB LEU 24 -2.965 3.216 8.335 247 HG LEU 24 HG LEU 24 -0.566 4.481 6.950 248 1HD1 LEU 24 2HD1 LEU 24 -1.830 2.910 5.537 249 2HD1 LEU 24 3HD1 LEU 24 -3.328 3.741 5.935 250 3HD1 LEU 24 1HD1 LEU 24 -2.076 4.562 5.011 251 1HD2 LEU 24 3HD2 LEU 24 -1.860 6.054 8.415 252 2HD2 LEU 24 1HD2 LEU 24 -2.007 6.450 6.709 253 3HD2 LEU 24 2HD2 LEU 24 -3.325 5.625 7.534 254 QB LEU 24 QB LEU 24 -2.236 2.791 8.101 255 QD1 LEU 24 QD1 LEU 24 -2.411 3.738 5.494 256 QD2 LEU 24 QD2 LEU 24 -2.397 6.043 7.553 257 QQD LEU 24 QQD LEU 24 -2.404 4.890 6.524 258 H SER 25 HN SER 25 0.039 1.542 9.330 259 HA SER 25 HA SER 25 -1.482 -0.173 10.982 260 1HB SER 25 2HB SER 25 1.520 -0.347 10.551 261 2HB SER 25 3HB SER 25 0.370 -1.683 10.817 262 HG SER 25 HG SER 25 0.781 -0.098 8.572 263 QB SER 25 QB SER 25 0.945 -1.015 10.684 264 H ASN 26 HN ASN 26 0.900 2.219 11.835 265 HA ASN 26 HA ASN 26 0.988 1.288 14.653 266 1HB ASN 26 2HB ASN 26 2.387 3.484 13.100 267 2HB ASN 26 3HB ASN 26 2.490 3.396 14.855 268 1HD2 ASN 26 2HD2 ASN 26 4.549 0.744 12.567 269 2HD2 ASN 26 1HD2 ASN 26 3.437 1.817 11.861 270 QB ASN 26 QB ASN 26 2.438 3.440 13.977 271 QD2 ASN 26 QD2 ASN 26 3.993 1.280 12.214 272 H GLU 27 HN GLU 27 -1.446 2.489 13.270 273 HA GLU 27 HA GLU 27 -2.081 4.482 15.391 274 1HB GLU 27 2HB GLU 27 -2.536 4.633 12.413 275 2HB GLU 27 3HB GLU 27 -3.549 5.525 13.527 276 1HG GLU 27 2HG GLU 27 -1.588 6.714 14.409 277 2HG GLU 27 3HG GLU 27 -0.529 5.756 13.379 278 QB GLU 27 QB GLU 27 -3.042 5.079 12.970 279 QG GLU 27 QG GLU 27 -1.059 6.235 13.894 280 NH1 ARG 28 NH1 ARG 28 -6.294 6.601 9.699 281 NH2 ARG 28 NH2 ARG 28 -4.045 6.620 9.543 282 H ARG 28 HN ARG 28 -3.420 2.408 12.846 283 HA ARG 28 HA ARG 28 -5.906 2.120 14.476 284 1HB ARG 28 2HB ARG 28 -5.537 1.566 11.504 285 2HB ARG 28 3HB ARG 28 -7.052 1.583 12.385 286 1HG ARG 28 2HG ARG 28 -7.162 3.748 11.625 287 2HG ARG 28 3HG ARG 28 -6.150 4.059 13.024 288 1HD ARG 28 2HD ARG 28 -4.124 3.646 11.477 289 2HD ARG 28 3HD ARG 28 -5.261 3.721 10.139 290 HE ARG 28 HE ARG 28 -4.951 5.991 12.083 291 1HH1 ARG 28 2HH1 ARG 28 -7.126 6.306 10.169 292 2HH1 ARG 28 1HH1 ARG 28 -6.380 7.197 8.887 293 1HH2 ARG 28 2HH2 ARG 28 -3.159 6.358 9.924 294 2HH2 ARG 28 1HH2 ARG 28 -4.091 7.192 8.708 295 QB ARG 28 QB ARG 28 -6.294 1.574 11.944 296 QG ARG 28 QG ARG 28 -6.656 3.904 12.324 297 QD ARG 28 QD ARG 28 -4.693 3.684 10.808 298 QH1 ARG 28 QH1 ARG 28 -6.753 6.752 9.528 299 QH2 ARG 28 QH2 ARG 28 -3.625 6.775 9.316 300 H ASP 29 HN ASP 29 -6.232 0.279 15.442 301 HA ASP 29 HA ASP 29 -4.568 -2.067 15.124 302 1HB ASP 29 2HB ASP 29 -7.184 -1.704 16.631 303 2HB ASP 29 3HB ASP 29 -6.043 -3.016 16.861 304 QB ASP 29 QB ASP 29 -6.614 -2.360 16.746 305 H ASP 30 HN ASP 30 -5.278 -1.882 12.752 306 HA ASP 30 HA ASP 30 -6.999 -4.121 12.154 307 1HB ASP 30 2HB ASP 30 -8.845 -2.684 12.364 308 2HB ASP 30 3HB ASP 30 -7.956 -1.286 11.776 309 QB ASP 30 QB ASP 30 -8.400 -1.985 12.070 310 H PHE 31 HN PHE 31 -5.408 -1.212 10.969 311 HA PHE 31 HA PHE 31 -5.098 -2.100 8.254 312 1HB PHE 31 2HB PHE 31 -4.905 0.274 9.293 313 2HB PHE 31 3HB PHE 31 -3.248 -0.173 9.665 314 HD1 PHE 31 1HD PHE 31 -1.696 -0.808 7.776 315 HD2 PHE 31 2HD PHE 31 -5.562 0.820 7.039 316 HE1 PHE 31 1HE PHE 31 -1.035 -0.248 5.475 317 HE2 PHE 31 2HE PHE 31 -4.899 1.353 4.743 318 HZ PHE 31 HZ PHE 31 -2.637 0.801 3.947 319 QB PHE 31 QB PHE 31 -4.076 0.050 9.479 320 QR PHE 31 QR PHE 31 -3.298 0.279 6.258 321 H GLN 32 HN GLN 32 -4.152 -4.071 7.941 322 HA GLN 32 HA GLN 32 -1.727 -4.787 9.428 323 1HB GLN 32 2HB GLN 32 -3.364 -6.362 7.447 324 2HB GLN 32 3HB GLN 32 -1.975 -7.003 8.316 325 1HG GLN 32 2HG GLN 32 -3.141 -6.673 10.462 326 2HG GLN 32 3HG GLN 32 -4.495 -5.919 9.637 327 1HE2 GLN 32 2HE2 GLN 32 -4.484 -9.903 9.975 328 2HE2 GLN 32 1HE2 GLN 32 -3.499 -8.871 10.896 329 QB GLN 32 QB GLN 32 -2.670 -6.683 7.881 330 QG GLN 32 QG GLN 32 -3.818 -6.296 10.050 331 QE2 GLN 32 QE2 GLN 32 -3.992 -9.387 10.435 332 OH TYR 33 OH TYR 33 4.964 -2.429 6.567 333 H TYR 33 HN TYR 33 -2.754 -4.700 6.265 334 HA TYR 33 HA TYR 33 -1.745 -4.389 4.149 335 1HB TYR 33 2HB TYR 33 -0.546 -2.489 3.945 336 2HB TYR 33 3HB TYR 33 -1.068 -2.285 5.603 337 HD1 TYR 33 HD2 TYR 33 1.780 -3.484 3.531 338 HD2 TYR 33 HD1 TYR 33 0.532 -2.123 7.364 339 HE1 TYR 33 HE2 TYR 33 4.120 -3.231 4.213 340 HE2 TYR 33 HE1 TYR 33 2.865 -1.876 8.041 341 HH TYR 33 HH TYR 33 4.969 -2.375 7.545 342 QB TYR 33 QB TYR 33 -0.807 -2.387 4.774 343 QR TYR 33 QR TYR 33 2.324 -2.678 5.787 344 H GLN 34 HN GLN 34 -0.191 -5.125 2.729 345 HA GLN 34 HA GLN 34 2.027 -6.804 3.805 346 1HB GLN 34 2HB GLN 34 0.254 -8.395 3.517 347 2HB GLN 34 3HB GLN 34 -0.258 -7.667 2.007 348 1HG GLN 34 2HG GLN 34 0.862 -9.680 1.399 349 2HG GLN 34 3HG GLN 34 2.008 -8.403 1.032 350 1HE2 GLN 34 2HE2 GLN 34 4.410 -10.045 3.008 351 2HE2 GLN 34 1HE2 GLN 34 4.055 -9.192 1.576 352 QB GLN 34 QB GLN 34 -0.002 -8.031 2.762 353 QG GLN 34 QG GLN 34 1.435 -9.042 1.216 354 QE2 GLN 34 QE2 GLN 34 4.233 -9.618 2.292 355 OH TYR 35 OH TYR 35 8.733 -3.421 -3.297 356 H TYR 35 HN TYR 35 3.803 -6.978 2.441 357 HA TYR 35 HA TYR 35 3.777 -5.133 0.093 358 1HB TYR 35 2HB TYR 35 5.588 -4.833 1.832 359 2HB TYR 35 3HB TYR 35 6.167 -6.450 1.450 360 HD1 TYR 35 HD1 TYR 35 6.913 -6.918 -1.002 361 HD2 TYR 35 HD2 TYR 35 6.269 -2.994 0.476 362 HE1 TYR 35 HE1 TYR 35 8.215 -5.995 -2.873 363 HE2 TYR 35 HE2 TYR 35 7.546 -2.069 -1.392 364 HH TYR 35 HH TYR 35 9.660 -3.696 -3.216 365 QB TYR 35 QB TYR 35 5.878 -5.641 1.641 366 QR TYR 35 QR TYR 35 7.236 -4.494 -1.198 367 H VAL 36 HN VAL 36 4.052 -5.888 -1.910 368 HA VAL 36 HA VAL 36 4.635 -8.791 -2.272 369 HB VAL 36 HB VAL 36 2.375 -7.054 -3.168 370 1HG1 VAL 36 1HG1 VAL 36 3.603 -9.138 -5.037 371 2HG1 VAL 36 2HG1 VAL 36 2.048 -8.350 -5.275 372 3HG1 VAL 36 3HG1 VAL 36 3.535 -7.409 -5.346 373 1HG2 VAL 36 2HG2 VAL 36 2.762 -10.051 -2.820 374 2HG2 VAL 36 3HG2 VAL 36 2.102 -8.945 -1.622 375 3HG2 VAL 36 1HG2 VAL 36 1.223 -9.252 -3.113 376 QG1 VAL 36 QG1 VAL 36 3.062 -8.299 -5.220 377 QG2 VAL 36 QG2 VAL 36 2.029 -9.416 -2.518 378 QQG VAL 36 QQG VAL 36 2.545 -8.857 -3.869 379 H ASP 37 HN ASP 37 5.955 -9.264 -4.025 380 HA ASP 37 HA ASP 37 7.439 -6.929 -5.215 381 1HB ASP 37 2HB ASP 37 8.931 -8.061 -3.772 382 2HB ASP 37 3HB ASP 37 8.320 -9.644 -4.234 383 QB ASP 37 QB ASP 37 8.626 -8.852 -4.003 384 H ILE 38 HN ILE 38 7.049 -6.698 -7.303 385 HA ILE 38 HA ILE 38 5.752 -8.627 -8.943 386 HB ILE 38 HB ILE 38 6.397 -7.245 -10.853 387 1HG1 ILE 38 2HG1 ILE 38 8.209 -5.782 -8.924 388 2HG1 ILE 38 3HG1 ILE 38 8.778 -6.998 -10.059 389 1HG2 ILE 38 1HG2 ILE 38 4.625 -6.374 -9.317 390 2HG2 ILE 38 2HG2 ILE 38 5.856 -5.524 -8.387 391 3HG2 ILE 38 3HG2 ILE 38 5.533 -5.063 -10.057 392 1HD1 ILE 38 2HD1 ILE 38 7.828 -5.644 -11.940 393 2HD1 ILE 38 3HD1 ILE 38 7.373 -4.397 -10.778 394 3HD1 ILE 38 1HD1 ILE 38 9.070 -4.765 -11.051 395 QG1 ILE 38 QG1 ILE 38 8.493 -6.390 -9.492 396 QG2 ILE 38 QG2 ILE 38 5.338 -5.654 -9.253 397 QD1 ILE 38 QD1 ILE 38 8.090 -4.935 -11.256 398 NH1 ARG 39 NH1 ARG 39 15.344 -11.342 -6.131 399 NH2 ARG 39 NH2 ARG 39 15.501 -9.057 -5.989 400 H ARG 39 HN ARG 39 9.052 -8.507 -7.940 401 HA ARG 39 HA ARG 39 10.045 -10.159 -10.162 402 1HB ARG 39 2HB ARG 39 11.505 -8.434 -9.328 403 2HB ARG 39 3HB ARG 39 11.321 -8.978 -7.675 404 1HG ARG 39 2HG ARG 39 12.425 -10.911 -9.661 405 2HG ARG 39 3HG ARG 39 13.434 -9.577 -9.144 406 1HD ARG 39 2HD ARG 39 12.025 -11.356 -7.131 407 2HD ARG 39 3HD ARG 39 13.599 -11.766 -7.783 408 HE ARG 39 HE ARG 39 13.033 -9.287 -6.174 409 1HH1 ARG 39 2HH1 ARG 39 14.777 -12.147 -6.308 410 2HH1 ARG 39 1HH1 ARG 39 16.308 -11.467 -5.868 411 1HH2 ARG 39 2HH2 ARG 39 15.044 -8.164 -6.019 412 2HH2 ARG 39 1HH2 ARG 39 16.472 -9.109 -5.766 413 QB ARG 39 QB ARG 39 11.413 -8.706 -8.501 414 QG ARG 39 QG ARG 39 12.930 -10.244 -9.403 415 QD ARG 39 QD ARG 39 12.812 -11.561 -7.457 416 QH1 ARG 39 QH1 ARG 39 15.542 -11.807 -6.088 417 QH2 ARG 39 QH2 ARG 39 15.758 -8.637 -5.893 418 H ALA 40 HN ALA 40 8.493 -10.681 -7.229 419 HA ALA 40 HA ALA 40 9.697 -13.378 -6.840 420 1HB ALA 40 2HB ALA 40 7.660 -11.842 -5.173 421 2HB ALA 40 3HB ALA 40 8.384 -13.386 -4.734 422 3HB ALA 40 1HB ALA 40 9.384 -11.940 -4.827 423 QB ALA 40 QB ALA 40 8.476 -12.389 -4.911 424 H GLU 41 HN GLU 41 6.706 -11.670 -7.468 425 HA GLU 41 HA GLU 41 5.376 -14.248 -8.206 426 1HB GLU 41 2HB GLU 41 4.277 -11.475 -7.651 427 2HB GLU 41 3HB GLU 41 3.281 -12.840 -8.157 428 1HG GLU 41 2HG GLU 41 3.860 -14.095 -6.172 429 2HG GLU 41 3HG GLU 41 5.099 -12.927 -5.720 430 QB GLU 41 QB GLU 41 3.779 -12.158 -7.904 431 QG GLU 41 QG GLU 41 4.479 -13.511 -5.946 432 H GLY 42 HN GLY 42 7.367 -12.819 -9.783 433 1HA GLY 42 1HA GLY 42 7.709 -11.827 -11.923 434 2HA GLY 42 2HA GLY 42 6.920 -13.331 -12.362 435 QA GLY 42 QA GLY 42 7.315 -12.579 -12.143 436 H ILE 43 HN ILE 43 6.045 -10.056 -11.291 437 HA ILE 43 HA ILE 43 3.718 -10.178 -13.198 438 HB ILE 43 HB ILE 43 3.967 -8.200 -10.902 439 1HG1 ILE 43 2HG1 ILE 43 2.690 -10.964 -10.821 440 2HG1 ILE 43 3HG1 ILE 43 4.153 -10.496 -9.977 441 1HG2 ILE 43 2HG2 ILE 43 2.280 -7.758 -12.689 442 2HG2 ILE 43 3HG2 ILE 43 1.581 -9.351 -12.413 443 3HG2 ILE 43 1HG2 ILE 43 1.502 -8.121 -11.159 444 1HD1 ILE 43 2HD1 ILE 43 2.862 -8.778 -8.703 445 2HD1 ILE 43 3HD1 ILE 43 1.389 -9.335 -9.495 446 3HD1 ILE 43 1HD1 ILE 43 2.275 -10.412 -8.424 447 QG1 ILE 43 QG1 ILE 43 3.421 -10.730 -10.399 448 QG2 ILE 43 QG2 ILE 43 1.788 -8.410 -12.087 449 QD1 ILE 43 QD1 ILE 43 2.175 -9.508 -8.874 450 H THR 44 HN THR 44 3.385 -8.410 -14.617 451 HA THR 44 HA THR 44 5.514 -6.314 -14.572 452 HB THR 44 HB THR 44 5.514 -6.436 -17.125 453 HG1 THR 44 1HG THR 44 4.295 -7.948 -18.027 454 1HG2 THR 44 2HG2 THR 44 7.216 -7.725 -15.726 455 2HG2 THR 44 3HG2 THR 44 6.110 -9.093 -15.736 456 3HG2 THR 44 1HG2 THR 44 6.822 -8.528 -17.242 457 QG2 THR 44 QG2 THR 44 6.716 -8.449 -16.234 458 H LYS 45 HN LYS 45 4.805 -4.459 -16.130 459 HA LYS 45 HA LYS 45 2.511 -3.224 -15.100 460 1HB LYS 45 2HB LYS 45 4.037 -1.832 -16.278 461 2HB LYS 45 3HB LYS 45 4.022 -2.862 -17.697 462 1HG LYS 45 2HG LYS 45 2.738 -1.049 -18.396 463 2HG LYS 45 3HG LYS 45 1.501 -2.177 -17.902 464 1HD LYS 45 2HD LYS 45 2.578 0.124 -16.225 465 2HD LYS 45 3HD LYS 45 1.052 0.120 -17.087 466 1HE LYS 45 2HE LYS 45 0.628 -2.070 -15.600 467 2HE LYS 45 3HE LYS 45 1.794 -1.291 -14.556 468 1HZ LYS 45 1HZ LYS 45 -0.067 0.650 -15.382 469 2HZ LYS 45 2HZ LYS 45 -0.946 -0.691 -14.844 470 3HZ LYS 45 3HZ LYS 45 0.179 0.027 -13.819 471 QB LYS 45 QB LYS 45 4.029 -2.347 -16.988 472 QG LYS 45 QG LYS 45 2.119 -1.613 -18.149 473 QD LYS 45 QD LYS 45 1.815 0.122 -16.656 474 QE LYS 45 QE LYS 45 1.211 -1.681 -15.078 475 QZ LYS 45 QZ LYS 45 -0.278 -0.004 -14.682 476 H GLU 46 HN GLU 46 2.818 -5.001 -18.143 477 HA GLU 46 HA GLU 46 0.414 -4.845 -19.376 478 1HB GLU 46 2HB GLU 46 1.972 -7.383 -18.755 479 2HB GLU 46 3HB GLU 46 0.707 -7.285 -19.969 480 1HG GLU 46 2HG GLU 46 1.980 -5.934 -21.395 481 2HG GLU 46 3HG GLU 46 2.945 -5.270 -20.085 482 QB GLU 46 QB GLU 46 1.339 -7.334 -19.362 483 QG GLU 46 QG GLU 46 2.462 -5.602 -20.740 484 H ASP 47 HN ASP 47 0.828 -7.501 -17.027 485 HA ASP 47 HA ASP 47 -1.929 -8.138 -16.833 486 1HB ASP 47 2HB ASP 47 -0.152 -9.612 -15.965 487 2HB ASP 47 3HB ASP 47 0.209 -8.442 -14.707 488 QB ASP 47 QB ASP 47 0.029 -9.027 -15.336 489 H LEU 48 HN LEU 48 -0.023 -6.008 -14.707 490 HA LEU 48 HA LEU 48 -2.141 -5.452 -12.896 491 1HB LEU 48 2HB LEU 48 0.160 -3.652 -13.739 492 2HB LEU 48 3HB LEU 48 -0.863 -3.376 -12.334 493 HG LEU 48 HG LEU 48 0.807 -5.878 -12.791 494 1HD1 LEU 48 3HD1 LEU 48 1.245 -3.505 -10.946 495 2HD1 LEU 48 1HD1 LEU 48 2.224 -4.966 -10.984 496 3HD1 LEU 48 2HD1 LEU 48 2.199 -3.889 -12.373 497 1HD2 LEU 48 2HD2 LEU 48 -0.819 -4.919 -10.403 498 2HD2 LEU 48 3HD2 LEU 48 -1.184 -6.315 -11.407 499 3HD2 LEU 48 1HD2 LEU 48 0.245 -6.322 -10.387 500 QB LEU 48 QB LEU 48 -0.352 -3.514 -13.037 501 QD1 LEU 48 QD1 LEU 48 1.889 -4.120 -11.435 502 QD2 LEU 48 QD2 LEU 48 -0.586 -5.852 -10.733 503 QQD LEU 48 QQD LEU 48 0.652 -4.986 -11.084 504 H GLN 49 HN GLN 49 -1.160 -3.577 -15.788 505 HA GLN 49 HA GLN 49 -3.054 -1.503 -15.683 506 1HB GLN 49 2HB GLN 49 -2.284 -3.128 -18.141 507 2HB GLN 49 3HB GLN 49 -3.213 -1.640 -18.202 508 1HG GLN 49 2HG GLN 49 -1.283 -0.494 -17.020 509 2HG GLN 49 3HG GLN 49 -0.375 -1.988 -17.240 510 1HE2 GLN 49 2HE2 GLN 49 -1.321 0.185 -20.589 511 2HE2 GLN 49 1HE2 GLN 49 -2.278 0.358 -19.197 512 QB GLN 49 QB GLN 49 -2.748 -2.384 -18.171 513 QG GLN 49 QG GLN 49 -0.829 -1.241 -17.130 514 QE2 GLN 49 QE2 GLN 49 -1.799 0.271 -19.893 515 H GLN 50 HN GLN 50 -3.490 -4.707 -17.085 516 HA GLN 50 HA GLN 50 -6.239 -4.544 -17.722 517 1HB GLN 50 2HB GLN 50 -4.669 -6.990 -16.809 518 2HB GLN 50 3HB GLN 50 -6.200 -7.026 -17.673 519 1HG GLN 50 2HG GLN 50 -5.158 -5.870 -19.597 520 2HG GLN 50 3HG GLN 50 -3.629 -5.781 -18.736 521 1HE2 GLN 50 2HE2 GLN 50 -2.669 -9.008 -19.752 522 2HE2 GLN 50 1HE2 GLN 50 -2.222 -7.507 -19.092 523 QB GLN 50 QB GLN 50 -5.435 -7.008 -17.241 524 QG GLN 50 QG GLN 50 -4.394 -5.825 -19.167 525 QE2 GLN 50 QE2 GLN 50 -2.446 -8.258 -19.422 526 H LYS 51 HN LYS 51 -4.718 -5.598 -14.674 527 HA LYS 51 HA LYS 51 -7.379 -5.948 -13.423 528 1HB LYS 51 2HB LYS 51 -4.661 -6.762 -12.833 529 2HB LYS 51 3HB LYS 51 -5.444 -6.107 -11.414 530 1HG LYS 51 2HG LYS 51 -7.273 -7.632 -11.549 531 2HG LYS 51 3HG LYS 51 -6.816 -8.181 -13.148 532 1HD LYS 51 2HD LYS 51 -5.384 -8.684 -10.510 533 2HD LYS 51 3HD LYS 51 -6.066 -9.881 -11.605 534 1HE LYS 51 2HE LYS 51 -3.562 -8.234 -11.944 535 2HE LYS 51 3HE LYS 51 -3.754 -9.973 -12.076 536 1HZ LYS 51 1HZ LYS 51 -5.461 -8.830 -13.962 537 2HZ LYS 51 2HZ LYS 51 -3.977 -8.013 -14.102 538 3HZ LYS 51 3HZ LYS 51 -4.023 -9.706 -14.241 539 QB LYS 51 QB LYS 51 -5.052 -6.435 -12.123 540 QG LYS 51 QG LYS 51 -7.044 -7.906 -12.349 541 QD LYS 51 QD LYS 51 -5.725 -9.283 -11.057 542 QE LYS 51 QE LYS 51 -3.658 -9.104 -12.010 543 QZ LYS 51 QZ LYS 51 -4.487 -8.850 -14.102 544 H ALA 52 HN ALA 52 -5.829 -3.286 -14.147 545 HA ALA 52 HA ALA 52 -5.953 -1.988 -11.473 546 1HB ALA 52 1HB ALA 52 -4.692 -1.196 -14.115 547 2HB ALA 52 2HB ALA 52 -4.619 -0.212 -12.675 548 3HB ALA 52 3HB ALA 52 -3.857 -1.791 -12.690 549 QB ALA 52 QB ALA 52 -4.389 -1.066 -13.160 550 H GLY 53 HN GLY 53 -6.657 -0.964 -14.794 551 1HA GLY 53 1HA GLY 53 -8.738 -0.036 -15.578 552 2HA GLY 53 2HA GLY 53 -9.274 0.114 -13.913 553 QA GLY 53 QA GLY 53 -9.006 0.039 -14.746 554 H LYS 54 HN LYS 54 -6.127 1.376 -14.601 555 HA LYS 54 HA LYS 54 -7.271 4.148 -14.677 556 1HB LYS 54 2HB LYS 54 -4.907 3.040 -13.138 557 2HB LYS 54 3HB LYS 54 -5.011 4.747 -13.528 558 1HG LYS 54 2HG LYS 54 -7.145 4.934 -12.350 559 2HG LYS 54 3HG LYS 54 -7.167 3.209 -12.035 560 1HD LYS 54 2HD LYS 54 -6.388 4.550 -10.055 561 2HD LYS 54 3HD LYS 54 -5.182 3.400 -10.599 562 1HE LYS 54 2HE LYS 54 -3.979 5.174 -11.809 563 2HE LYS 54 3HE LYS 54 -5.214 6.342 -11.366 564 1HZ LYS 54 2HZ LYS 54 -4.349 5.130 -9.025 565 2HZ LYS 54 3HZ LYS 54 -2.952 5.484 -9.878 566 3HZ LYS 54 1HZ LYS 54 -4.068 6.727 -9.499 567 QB LYS 54 QB LYS 54 -4.959 3.894 -13.333 568 QG LYS 54 QG LYS 54 -7.156 4.072 -12.192 569 QD LYS 54 QD LYS 54 -5.785 3.975 -10.327 570 QE LYS 54 QE LYS 54 -4.597 5.758 -11.587 571 QZ LYS 54 QZ LYS 54 -3.790 5.780 -9.467 572 HA PRO 55 HA PRO 55 -4.402 1.418 -16.336 573 1HB PRO 55 2HB PRO 55 -4.833 0.714 -18.986 574 2HB PRO 55 3HB PRO 55 -5.857 0.200 -17.642 575 1HG PRO 55 2HG PRO 55 -6.359 2.341 -19.693 576 2HG PRO 55 3HG PRO 55 -7.519 1.304 -18.851 577 1HD PRO 55 2HD PRO 55 -6.990 3.988 -18.194 578 2HD PRO 55 3HD PRO 55 -7.754 2.807 -17.110 579 QB PRO 55 QB PRO 55 -5.345 0.457 -18.314 580 QG PRO 55 QG PRO 55 -6.939 1.822 -19.272 581 QD PRO 55 QD PRO 55 -7.372 3.398 -17.652 582 H VAL 56 HN VAL 56 -3.279 3.985 -16.529 583 HA VAL 56 HA VAL 56 -1.164 3.485 -18.575 584 HB VAL 56 HB VAL 56 -2.800 5.344 -19.193 585 1HG1 VAL 56 2HG1 VAL 56 -3.135 6.234 -16.901 586 2HG1 VAL 56 3HG1 VAL 56 -1.454 6.754 -16.857 587 3HG1 VAL 56 1HG1 VAL 56 -2.572 7.489 -17.998 588 1HG2 VAL 56 1HG2 VAL 56 -0.515 5.208 -20.132 589 2HG2 VAL 56 2HG2 VAL 56 -1.016 6.880 -19.916 590 3HG2 VAL 56 3HG2 VAL 56 0.102 6.144 -18.777 591 QG1 VAL 56 QG1 VAL 56 -2.387 6.826 -17.252 592 QG2 VAL 56 QG2 VAL 56 -0.476 6.077 -19.608 593 QQG VAL 56 QQG VAL 56 -1.431 6.452 -18.430 594 H GLU 57 HN GLU 57 -1.726 3.137 -15.612 595 HA GLU 57 HA GLU 57 0.334 4.738 -14.292 596 1HB GLU 57 2HB GLU 57 -0.352 2.761 -12.486 597 2HB GLU 57 3HB GLU 57 -1.134 4.322 -12.599 598 1HG GLU 57 2HG GLU 57 -2.818 2.556 -12.547 599 2HG GLU 57 3HG GLU 57 -2.858 3.341 -14.112 600 QB GLU 57 QB GLU 57 -0.743 3.542 -12.542 601 QG GLU 57 QG GLU 57 -2.838 2.949 -13.329 602 H THR 58 HN THR 58 1.869 3.386 -12.810 603 HA THR 58 HA THR 58 2.814 0.917 -14.115 604 HB THR 58 HB THR 58 3.897 2.826 -15.382 605 HG1 THR 58 1HG THR 58 5.785 1.728 -15.326 606 1HG2 THR 58 3HG2 THR 58 4.160 4.413 -13.397 607 2HG2 THR 58 1HG2 THR 58 5.345 3.301 -12.720 608 3HG2 THR 58 2HG2 THR 58 5.673 4.115 -14.243 609 QG2 THR 58 QG2 THR 58 5.060 3.943 -13.453 610 H VAL 59 HN VAL 59 5.376 1.025 -12.792 611 HA VAL 59 HA VAL 59 4.474 0.220 -10.115 612 HB VAL 59 HB VAL 59 7.307 0.353 -11.232 613 1HG1 VAL 59 2HG1 VAL 59 7.186 0.151 -8.765 614 2HG1 VAL 59 3HG1 VAL 59 6.141 -1.259 -8.933 615 3HG1 VAL 59 1HG1 VAL 59 7.803 -1.324 -9.496 616 1HG2 VAL 59 3HG2 VAL 59 5.350 -1.975 -11.219 617 2HG2 VAL 59 1HG2 VAL 59 5.892 -1.099 -12.645 618 3HG2 VAL 59 2HG2 VAL 59 7.037 -2.064 -11.720 619 QG1 VAL 59 QG1 VAL 59 7.043 -0.811 -9.065 620 QG2 VAL 59 QG2 VAL 59 6.093 -1.713 -11.861 621 QQG VAL 59 QQG VAL 59 6.568 -1.262 -10.463 622 HA PRO 60 HA PRO 60 4.854 0.176 -8.172 623 1HB PRO 60 2HB PRO 60 4.320 1.201 -5.730 624 2HB PRO 60 3HB PRO 60 5.982 0.996 -6.300 625 1HG PRO 60 2HG PRO 60 4.375 3.519 -6.042 626 2HG PRO 60 3HG PRO 60 6.126 3.302 -5.916 627 1HD PRO 60 2HD PRO 60 4.632 4.176 -8.231 628 2HD PRO 60 3HD PRO 60 6.376 3.863 -8.150 629 QB PRO 60 QB PRO 60 5.151 1.098 -6.015 630 QG PRO 60 QG PRO 60 5.250 3.410 -5.979 631 QD PRO 60 QD PRO 60 5.504 4.020 -8.191 632 H GLN 61 HN GLN 61 2.841 -0.664 -7.560 633 HA GLN 61 HA GLN 61 0.517 1.180 -7.897 634 1HB GLN 61 2HB GLN 61 0.674 -1.723 -8.787 635 2HB GLN 61 3HB GLN 61 -0.704 -0.649 -8.990 636 1HG GLN 61 2HG GLN 61 0.906 0.910 -10.280 637 2HG GLN 61 3HG GLN 61 2.021 -0.454 -10.316 638 1HE2 GLN 61 2HE2 GLN 61 -1.534 -1.269 -12.149 639 2HE2 GLN 61 1HE2 GLN 61 -1.530 -0.643 -10.583 640 QB GLN 61 QB GLN 61 -0.015 -1.186 -8.889 641 QG GLN 61 QG GLN 61 1.464 0.228 -10.298 642 QE2 GLN 61 QE2 GLN 61 -1.532 -0.956 -11.366 643 H ILE 62 HN ILE 62 -1.114 0.955 -6.415 644 HA ILE 62 HA ILE 62 -0.688 -1.103 -4.289 645 HB ILE 62 HB ILE 62 -1.930 1.658 -3.943 646 1HG1 ILE 62 2HG1 ILE 62 0.189 1.921 -2.419 647 2HG1 ILE 62 3HG1 ILE 62 0.858 0.633 -3.416 648 1HG2 ILE 62 2HG2 ILE 62 -1.198 -0.495 -1.932 649 2HG2 ILE 62 3HG2 ILE 62 -1.784 1.115 -1.521 650 3HG2 ILE 62 1HG2 ILE 62 -2.829 -0.006 -2.385 651 1HD1 ILE 62 3HD1 ILE 62 -0.343 3.188 -4.521 652 2HD1 ILE 62 1HD1 ILE 62 1.381 2.927 -4.276 653 3HD1 ILE 62 2HD1 ILE 62 0.506 1.947 -5.430 654 QG1 ILE 62 QG1 ILE 62 0.523 1.277 -2.918 655 QG2 ILE 62 QG2 ILE 62 -1.937 0.205 -1.946 656 QD1 ILE 62 QD1 ILE 62 0.515 2.687 -4.742 657 H PHE 63 HN PHE 63 -2.453 -1.992 -3.469 658 HA PHE 63 HA PHE 63 -5.087 -1.574 -4.826 659 1HB PHE 63 2HB PHE 63 -3.529 -4.160 -4.488 660 2HB PHE 63 3HB PHE 63 -5.280 -4.164 -4.670 661 HD1 PHE 63 2HD PHE 63 -2.208 -2.753 -6.358 662 HD2 PHE 63 1HD PHE 63 -6.171 -4.247 -6.834 663 HE1 PHE 63 2HE PHE 63 -2.031 -2.460 -8.792 664 HE2 PHE 63 1HE PHE 63 -5.943 -4.056 -9.274 665 HZ PHE 63 HZ PHE 63 -3.901 -3.115 -10.252 666 QB PHE 63 QB PHE 63 -4.404 -4.162 -4.579 667 QR PHE 63 QR PHE 63 -4.088 -3.379 -7.814 668 H VAL 64 HN VAL 64 -6.443 -0.989 -3.147 669 HA VAL 64 HA VAL 64 -5.728 -1.893 -0.413 670 HB VAL 64 HB VAL 64 -7.981 -0.115 -1.431 671 1HG1 VAL 64 2HG1 VAL 64 -7.048 -0.689 1.411 672 2HG1 VAL 64 3HG1 VAL 64 -8.239 0.525 0.957 673 3HG1 VAL 64 1HG1 VAL 64 -8.591 -1.184 0.724 674 1HG2 VAL 64 1HG2 VAL 64 -5.576 0.692 -1.596 675 2HG2 VAL 64 2HG2 VAL 64 -6.607 1.692 -0.583 676 3HG2 VAL 64 3HG2 VAL 64 -5.474 0.559 0.147 677 QG1 VAL 64 QG1 VAL 64 -7.959 -0.449 1.031 678 QG2 VAL 64 QG2 VAL 64 -5.886 0.981 -0.677 679 QQG VAL 64 QQG VAL 64 -6.922 0.266 0.177 680 H ASP 65 HN ASP 65 -6.281 -3.925 0.094 681 HA ASP 65 HA ASP 65 -7.466 -5.884 0.347 682 1HB ASP 65 2HB ASP 65 -9.605 -3.760 0.570 683 2HB ASP 65 3HB ASP 65 -9.964 -5.465 0.824 684 QB ASP 65 QB ASP 65 -9.784 -4.612 0.697 685 H GLN 66 HN GLN 66 -9.972 -4.242 -1.569 686 HA GLN 66 HA GLN 66 -9.438 -6.256 -3.697 687 1HB GLN 66 2HB GLN 66 -11.715 -6.832 -3.985 688 2HB GLN 66 3HB GLN 66 -11.447 -6.864 -2.247 689 1HG GLN 66 2HG GLN 66 -12.516 -4.677 -1.991 690 2HG GLN 66 3HG GLN 66 -12.628 -4.498 -3.736 691 1HE2 GLN 66 2HE2 GLN 66 -14.945 -7.655 -2.850 692 2HE2 GLN 66 1HE2 GLN 66 -13.253 -7.738 -2.782 693 QB GLN 66 QB GLN 66 -11.581 -6.848 -3.116 694 QG GLN 66 QG GLN 66 -12.572 -4.588 -2.863 695 QE2 GLN 66 QE2 GLN 66 -14.099 -7.696 -2.816 696 H GLN 67 HN GLN 67 -9.489 -3.069 -3.082 697 HA GLN 67 HA GLN 67 -10.550 -2.274 -5.738 698 1HB GLN 67 2HB GLN 67 -9.989 -0.916 -3.122 699 2HB GLN 67 3HB GLN 67 -9.818 0.050 -4.571 700 1HG GLN 67 2HG GLN 67 -12.095 0.223 -3.634 701 2HG GLN 67 3HG GLN 67 -12.120 -0.504 -5.234 702 1HE2 GLN 67 2HE2 GLN 67 -13.963 -3.188 -3.910 703 2HE2 GLN 67 1HE2 GLN 67 -13.781 -2.029 -5.141 704 QB GLN 67 QB GLN 67 -9.903 -0.433 -3.846 705 QG GLN 67 QG GLN 67 -12.107 -0.141 -4.434 706 QE2 GLN 67 QE2 GLN 67 -13.872 -2.608 -4.525 707 H HIS 68 HN HIS 68 -9.266 -0.791 -7.003 708 HA HIS 68 HA HIS 68 -6.345 -1.388 -6.787 709 1HB HIS 68 2HB HIS 68 -7.163 -2.091 -8.920 710 2HB HIS 68 3HB HIS 68 -8.091 -0.625 -9.130 711 HD1 HIS 68 HD1 HIS 68 -6.939 0.491 -10.982 712 HD2 HIS 68 HD2 HIS 68 -4.201 -0.774 -8.177 713 HE1 HIS 68 HE1 HIS 68 -4.713 1.560 -11.575 714 QB HIS 68 QB HIS 68 -7.627 -1.358 -9.025 715 H ILE 69 HN ILE 69 -5.027 0.306 -6.384 716 HA ILE 69 HA ILE 69 -6.241 3.041 -6.469 717 HB ILE 69 HB ILE 69 -3.740 2.405 -4.896 718 1HG1 ILE 69 2HG1 ILE 69 -5.365 0.651 -4.204 719 2HG1 ILE 69 3HG1 ILE 69 -5.104 1.838 -2.941 720 1HG2 ILE 69 1HG2 ILE 69 -6.103 4.273 -4.530 721 2HG2 ILE 69 2HG2 ILE 69 -4.728 4.167 -3.447 722 3HG2 ILE 69 3HG2 ILE 69 -4.506 4.723 -5.099 723 1HD1 ILE 69 3HD1 ILE 69 -7.461 1.914 -4.870 724 2HD1 ILE 69 1HD1 ILE 69 -7.535 1.282 -3.232 725 3HD1 ILE 69 2HD1 ILE 69 -7.204 2.986 -3.498 726 QG1 ILE 69 QG1 ILE 69 -5.234 1.244 -3.573 727 QG2 ILE 69 QG2 ILE 69 -5.112 4.388 -4.358 728 QD1 ILE 69 QD1 ILE 69 -7.400 2.061 -3.866 729 H GLY 70 HN GLY 70 -3.167 1.301 -6.825 730 1HA GLY 70 1HA GLY 70 -1.513 1.456 -8.482 731 2HA GLY 70 2HA GLY 70 -2.686 2.304 -9.447 732 QA GLY 70 QA GLY 70 -2.100 1.880 -8.964 733 H GLY 71 HN GLY 71 -0.004 2.773 -7.176 734 1HA GLY 71 1HA GLY 71 1.477 4.659 -7.944 735 2HA GLY 71 2HA GLY 71 0.027 5.632 -8.080 736 QA GLY 71 QA GLY 71 0.752 5.146 -8.012 737 OH TYR 72 OH TYR 72 4.615 8.709 0.945 738 H TYR 72 HN TYR 72 2.680 5.514 -6.370 739 HA TYR 72 HA TYR 72 1.796 5.540 -3.650 740 1HB TYR 72 2HB TYR 72 4.198 5.333 -4.202 741 2HB TYR 72 3HB TYR 72 4.183 6.942 -4.924 742 HD1 TYR 72 HD2 TYR 72 2.669 5.634 -1.751 743 HD2 TYR 72 HD1 TYR 72 5.393 8.389 -3.513 744 HE1 TYR 72 HE2 TYR 72 3.040 6.663 0.437 745 HE2 TYR 72 HE1 TYR 72 5.783 9.399 -1.310 746 HH TYR 72 HH TYR 72 4.979 8.048 1.550 747 QB TYR 72 QB TYR 72 4.190 6.138 -4.563 748 QR TYR 72 QR TYR 72 4.222 7.521 -1.534 749 H THR 73 HN THR 73 2.618 8.332 -5.778 750 HA THR 73 HA THR 73 1.491 10.289 -4.049 751 HB THR 73 HB THR 73 1.335 11.415 -6.613 752 HG1 THR 73 1HG THR 73 2.347 10.030 -7.867 753 1HG2 THR 73 1HG2 THR 73 2.787 12.231 -4.679 754 2HG2 THR 73 2HG2 THR 73 3.909 10.921 -5.039 755 3HG2 THR 73 3HG2 THR 73 3.647 12.203 -6.219 756 QG2 THR 73 QG2 THR 73 3.447 11.785 -5.312 757 H ASP 74 HN ASP 74 -0.269 7.909 -5.081 758 HA ASP 74 HA ASP 74 -2.737 9.520 -5.622 759 1HB ASP 74 2HB ASP 74 -2.028 7.980 -7.490 760 2HB ASP 74 3HB ASP 74 -2.105 6.627 -6.377 761 QB ASP 74 QB ASP 74 -2.067 7.303 -6.933 762 H PHE 75 HN PHE 75 -1.714 6.336 -4.493 763 HA PHE 75 HA PHE 75 -3.816 5.879 -2.652 764 1HB PHE 75 2HB PHE 75 -2.375 4.064 -3.361 765 2HB PHE 75 3HB PHE 75 -0.949 4.882 -2.744 766 HD1 PHE 75 2HD PHE 75 -4.252 3.528 -1.580 767 HD2 PHE 75 1HD PHE 75 -0.211 4.413 -0.567 768 HE1 PHE 75 2HE PHE 75 -4.531 2.390 0.574 769 HE2 PHE 75 1HE PHE 75 -0.502 3.287 1.591 770 HZ PHE 75 HZ PHE 75 -2.662 2.278 2.162 771 QB PHE 75 QB PHE 75 -1.662 4.473 -3.053 772 QR PHE 75 QR PHE 75 -2.374 3.405 0.005 773 H ALA 76 HN ALA 76 -0.716 7.479 -2.328 774 HA ALA 76 HA ALA 76 -0.617 7.902 0.457 775 1HB ALA 76 3HB ALA 76 0.305 9.745 -1.790 776 2HB ALA 76 1HB ALA 76 0.840 9.847 -0.118 777 3HB ALA 76 2HB ALA 76 1.248 8.441 -1.089 778 QB ALA 76 QB ALA 76 0.798 9.344 -0.999 779 H ALA 77 HN ALA 77 -1.660 10.325 -1.948 780 HA ALA 77 HA ALA 77 -2.875 12.105 -0.119 781 1HB ALA 77 3HB ALA 77 -3.781 11.452 -2.956 782 2HB ALA 77 1HB ALA 77 -4.251 12.882 -2.042 783 3HB ALA 77 2HB ALA 77 -2.573 12.656 -2.517 784 QB ALA 77 QB ALA 77 -3.535 12.330 -2.505 785 CH2 TRP 78 CH2 TRP 78 -8.004 3.549 0.940 786 H TRP 78 HN TRP 78 -4.320 9.516 -1.989 787 HA TRP 78 HA TRP 78 -6.955 9.503 -1.172 788 1HB TRP 78 2HB TRP 78 -5.916 7.964 -2.780 789 2HB TRP 78 3HB TRP 78 -5.039 7.185 -1.513 790 HD1 TRP 78 HD1 TRP 78 -8.458 7.241 -3.155 791 HE1 TRP 78 HE1 TRP 78 -9.917 5.485 -2.172 792 HE3 TRP 78 HE3 TRP 78 -5.360 5.591 0.384 793 HZ2 TRP 78 HZ2 TRP 78 -9.842 3.569 -0.153 794 HZ3 TRP 78 HZ3 TRP 78 -6.089 3.746 1.859 795 HH2 TRP 78 HH2 TRP 78 -8.311 2.743 1.590 796 QB TRP 78 QB TRP 78 -5.477 7.574 -2.147 797 H VAL 79 HN VAL 79 -4.500 7.492 0.498 798 HA VAL 79 HA VAL 79 -5.942 6.702 2.731 799 HB VAL 79 HB VAL 79 -3.038 7.595 2.535 800 1HG1 VAL 79 3HG1 VAL 79 -3.807 7.827 4.894 801 2HG1 VAL 79 1HG1 VAL 79 -4.406 6.174 4.856 802 3HG1 VAL 79 2HG1 VAL 79 -2.685 6.497 4.709 803 1HG2 VAL 79 2HG2 VAL 79 -4.372 4.870 2.697 804 2HG2 VAL 79 3HG2 VAL 79 -3.587 5.556 1.280 805 3HG2 VAL 79 1HG2 VAL 79 -2.634 5.136 2.694 806 QG1 VAL 79 QG1 VAL 79 -3.633 6.832 4.819 807 QG2 VAL 79 QG2 VAL 79 -3.531 5.187 2.224 808 QQG VAL 79 QQG VAL 79 -3.582 6.010 3.522 809 H LYS 80 HN LYS 80 -4.051 9.621 2.342 810 HA LYS 80 HA LYS 80 -4.533 10.911 4.752 811 1HB LYS 80 2HB LYS 80 -3.281 11.553 2.448 812 2HB LYS 80 3HB LYS 80 -4.692 12.567 2.281 813 1HG LYS 80 2HG LYS 80 -2.912 12.523 4.742 814 2HG LYS 80 3HG LYS 80 -2.704 13.670 3.439 815 1HD LYS 80 2HD LYS 80 -5.049 13.403 5.351 816 2HD LYS 80 3HD LYS 80 -3.999 14.795 5.128 817 1HE LYS 80 2HE LYS 80 -6.220 13.794 3.350 818 2HE LYS 80 3HE LYS 80 -5.955 15.411 3.967 819 1HZ LYS 80 1HZ LYS 80 -3.733 14.791 2.406 820 2HZ LYS 80 2HZ LYS 80 -5.108 14.297 1.529 821 3HZ LYS 80 3HZ LYS 80 -4.984 15.887 2.052 822 QB LYS 80 QB LYS 80 -3.986 12.060 2.365 823 QG LYS 80 QG LYS 80 -2.808 13.097 4.090 824 QD LYS 80 QD LYS 80 -4.524 14.099 5.239 825 QE LYS 80 QE LYS 80 -6.088 14.602 3.658 826 QZ LYS 80 QZ LYS 80 -4.608 14.991 1.995 827 H GLU 81 HN GLU 81 -6.640 10.867 1.900 828 HA GLU 81 HA GLU 81 -8.810 12.106 3.557 829 1HB GLU 81 2HB GLU 81 -8.279 11.914 0.589 830 2HB GLU 81 3HB GLU 81 -9.919 12.147 1.135 831 1HG GLU 81 2HG GLU 81 -9.339 14.357 1.010 832 2HG GLU 81 3HG GLU 81 -8.717 14.058 2.622 833 QB GLU 81 QB GLU 81 -9.099 12.030 0.862 834 QG GLU 81 QG GLU 81 -9.028 14.207 1.816 835 H ASN 82 HN ASN 82 -8.036 9.165 3.563 836 HA ASN 82 HA ASN 82 -10.790 8.277 3.038 837 1HB ASN 82 2HB ASN 82 -8.250 6.967 2.129 838 2HB ASN 82 3HB ASN 82 -9.649 5.956 2.463 839 1HD2 ASN 82 2HD2 ASN 82 -9.843 8.638 -0.629 840 2HD2 ASN 82 1HD2 ASN 82 -8.756 8.900 0.633 841 QB ASN 82 QB ASN 82 -8.950 6.462 2.296 842 QD2 ASN 82 QD2 ASN 82 -9.299 8.769 0.002 843 H LEU 83 HN LEU 83 -7.942 7.554 4.905 844 HA LEU 83 HA LEU 83 -9.749 5.990 6.719 845 1HB LEU 83 2HB LEU 83 -6.730 6.211 6.884 846 2HB LEU 83 3HB LEU 83 -7.752 5.004 7.632 847 HG LEU 83 HG LEU 83 -7.313 5.373 4.645 848 1HD1 LEU 83 1HD1 LEU 83 -6.432 3.188 6.558 849 2HD1 LEU 83 2HD1 LEU 83 -6.182 3.183 4.816 850 3HD1 LEU 83 3HD1 LEU 83 -5.381 4.390 5.816 851 1HD2 LEU 83 3HD2 LEU 83 -8.965 3.335 6.184 852 2HD2 LEU 83 1HD2 LEU 83 -9.603 4.594 5.133 853 3HD2 LEU 83 2HD2 LEU 83 -8.659 3.279 4.452 854 QB LEU 83 QB LEU 83 -7.241 5.607 7.258 855 QD1 LEU 83 QD1 LEU 83 -5.998 3.587 5.730 856 QD2 LEU 83 QD2 LEU 83 -9.076 3.736 5.256 857 QQD LEU 83 QQD LEU 83 -7.537 3.662 5.493 858 H ASP 84 HN ASP 84 -9.828 8.772 6.278 859 HA ASP 84 HA ASP 84 -9.847 10.820 7.318 860 1HB ASP 84 2HB ASP 84 -9.718 9.184 9.864 861 2HB ASP 84 3HB ASP 84 -10.454 10.765 9.636 862 QB ASP 84 QB ASP 84 -10.086 9.974 9.750 863 H ALA 85 HN ALA 85 -7.434 9.543 6.500 864 HA ALA 85 HA ALA 85 -5.219 10.651 6.563 865 1HB ALA 85 3HB ALA 85 -5.780 12.110 8.495 866 2HB ALA 85 1HB ALA 85 -5.538 10.737 9.571 867 3HB ALA 85 2HB ALA 85 -4.187 11.379 8.648 868 QB ALA 85 QB ALA 85 -5.168 11.409 8.905 Start of MODEL 9 Raw file had 868 H/Q atoms Start of MODEL 9 1 H MET 1 HN MET 1 -9.745 -3.862 5.697 2 HA MET 1 HA MET 1 -8.668 -2.224 4.548 3 1HB MET 1 2HB MET 1 -9.544 -0.849 6.553 4 2HB MET 1 3HB MET 1 -7.917 -0.967 7.203 5 1HG MET 1 2HG MET 1 -7.819 1.026 6.025 6 2HG MET 1 3HG MET 1 -7.160 -0.105 4.876 7 1HE MET 1 1HE MET 1 -9.840 1.712 6.270 8 2HE MET 1 2HE MET 1 -10.240 2.784 4.930 9 3HE MET 1 3HE MET 1 -11.264 1.391 5.293 10 QB MET 1 QB MET 1 -8.731 -0.908 6.878 11 QG MET 1 QG MET 1 -7.490 0.460 5.451 12 QE MET 1 QE MET 1 -10.448 1.962 5.497 13 H GLN 2 HN GLN 2 -7.122 -4.289 4.406 14 HA GLN 2 HA GLN 2 -4.520 -3.681 5.691 15 1HB GLN 2 2HB GLN 2 -3.827 -5.923 4.681 16 2HB GLN 2 3HB GLN 2 -5.032 -5.982 5.959 17 1HG GLN 2 2HG GLN 2 -6.828 -6.173 4.353 18 2HG GLN 2 3HG GLN 2 -5.713 -5.910 3.014 19 1HE2 GLN 2 2HE2 GLN 2 -5.126 -9.355 2.769 20 2HE2 GLN 2 1HE2 GLN 2 -5.423 -7.883 1.987 21 QB GLN 2 QB GLN 2 -4.429 -5.953 5.320 22 QG GLN 2 QG GLN 2 -6.271 -6.042 3.683 23 QE2 GLN 2 QE2 GLN 2 -5.274 -8.619 2.378 24 H THR 3 HN THR 3 -2.535 -4.053 4.061 25 HA THR 3 HA THR 3 -3.318 -2.863 1.424 26 HB THR 3 HB THR 3 -0.911 -2.043 3.120 27 HG1 THR 3 1HG THR 3 -2.976 -1.394 3.864 28 1HG2 THR 3 2HG2 THR 3 -0.606 -1.743 0.601 29 2HG2 THR 3 3HG2 THR 3 -2.093 -0.802 0.594 30 3HG2 THR 3 1HG2 THR 3 -0.689 -0.221 1.478 31 QG2 THR 3 QG2 THR 3 -1.129 -0.922 0.891 32 H VAL 4 HN VAL 4 -2.202 -3.463 -0.333 33 HA VAL 4 HA VAL 4 -0.080 -5.582 -0.023 34 HB VAL 4 HB VAL 4 -1.831 -5.393 -2.459 35 1HG1 VAL 4 3HG1 VAL 4 -0.455 -7.682 -1.003 36 2HG1 VAL 4 1HG1 VAL 4 -1.349 -7.841 -2.514 37 3HG1 VAL 4 2HG1 VAL 4 0.130 -6.881 -2.461 38 1HG2 VAL 4 1HG2 VAL 4 -2.650 -6.818 0.100 39 2HG2 VAL 4 2HG2 VAL 4 -3.478 -5.445 -0.630 40 3HG2 VAL 4 3HG2 VAL 4 -3.452 -6.998 -1.456 41 QG1 VAL 4 QG1 VAL 4 -0.558 -7.468 -1.993 42 QG2 VAL 4 QG2 VAL 4 -3.193 -6.420 -0.662 43 QQG VAL 4 QQG VAL 4 -1.876 -6.944 -1.327 44 H ILE 5 HN ILE 5 1.776 -4.725 -0.642 45 HA ILE 5 HA ILE 5 1.733 -2.457 -2.578 46 HB ILE 5 HB ILE 5 4.129 -3.499 -1.020 47 1HG1 ILE 5 2HG1 ILE 5 2.168 -1.302 -0.232 48 2HG1 ILE 5 3HG1 ILE 5 2.274 -2.877 0.538 49 1HG2 ILE 5 1HG2 ILE 5 4.596 -2.010 -2.957 50 2HG2 ILE 5 2HG2 ILE 5 3.501 -0.803 -2.301 51 3HG2 ILE 5 3HG2 ILE 5 4.985 -1.204 -1.449 52 1HD1 ILE 5 1HD1 ILE 5 4.530 -0.854 0.421 53 2HD1 ILE 5 2HD1 ILE 5 3.507 -1.167 1.817 54 3HD1 ILE 5 3HD1 ILE 5 4.584 -2.425 1.215 55 QG1 ILE 5 QG1 ILE 5 2.221 -2.090 0.153 56 QG2 ILE 5 QG2 ILE 5 4.361 -1.339 -2.236 57 QD1 ILE 5 QD1 ILE 5 4.207 -1.482 1.151 58 H PHE 6 HN PHE 6 1.977 -3.033 -4.647 59 HA PHE 6 HA PHE 6 3.379 -5.568 -5.327 60 1HB PHE 6 2HB PHE 6 1.442 -3.755 -6.813 61 2HB PHE 6 3HB PHE 6 2.389 -4.972 -7.658 62 HD1 PHE 6 2HD PHE 6 -0.128 -4.538 -4.924 63 HD2 PHE 6 1HD PHE 6 1.743 -7.281 -7.607 64 HE1 PHE 6 2HE PHE 6 -1.778 -6.259 -4.341 65 HE2 PHE 6 1HE PHE 6 0.095 -8.985 -7.007 66 HZ PHE 6 HZ PHE 6 -1.659 -8.486 -5.371 67 QB PHE 6 QB PHE 6 1.915 -4.364 -7.235 68 QR PHE 6 QR PHE 6 -0.017 -6.766 -5.970 69 H GLY 7 HN GLY 7 5.413 -4.536 -4.783 70 1HA GLY 7 1HA GLY 7 6.259 -2.597 -6.900 71 2HA GLY 7 2HA GLY 7 6.738 -2.359 -5.229 72 QA GLY 7 QA GLY 7 6.498 -2.478 -6.065 73 NH1 ARG 8 NH1 ARG 8 14.167 -2.014 -7.684 74 NH2 ARG 8 NH2 ARG 8 14.127 -2.286 -9.969 75 H ARG 8 HN ARG 8 8.578 -3.206 -4.621 76 HA ARG 8 HA ARG 8 9.796 -5.598 -5.421 77 1HB ARG 8 2HB ARG 8 11.622 -4.624 -6.912 78 2HB ARG 8 3HB ARG 8 10.045 -4.767 -7.674 79 1HG ARG 8 2HG ARG 8 9.601 -2.347 -7.165 80 2HG ARG 8 3HG ARG 8 11.208 -2.217 -6.456 81 1HD ARG 8 2HD ARG 8 10.547 -2.821 -9.350 82 2HD ARG 8 3HD ARG 8 11.362 -1.392 -8.706 83 HE ARG 8 HE ARG 8 12.549 -4.148 -8.625 84 1HH1 ARG 8 2HH1 ARG 8 13.736 -2.179 -6.782 85 2HH1 ARG 8 1HH1 ARG 8 15.008 -1.479 -7.727 86 1HH2 ARG 8 2HH2 ARG 8 13.653 -2.641 -10.777 87 2HH2 ARG 8 1HH2 ARG 8 14.979 -1.772 -10.083 88 QB ARG 8 QB ARG 8 10.834 -4.695 -7.293 89 QG ARG 8 QG ARG 8 10.405 -2.282 -6.810 90 QD ARG 8 QD ARG 8 10.955 -2.106 -9.028 91 QH1 ARG 8 QH1 ARG 8 14.372 -1.829 -7.255 92 QH2 ARG 8 QH2 ARG 8 14.316 -2.207 -10.430 93 H SER 9 HN SER 9 10.400 -2.192 -4.844 94 HA SER 9 HA SER 9 11.263 -1.185 -2.855 95 1HB SER 9 2HB SER 9 12.810 -3.755 -2.329 96 2HB SER 9 3HB SER 9 12.557 -2.399 -1.212 97 HG SER 9 HG SER 9 10.844 -4.400 -2.017 98 QB SER 9 QB SER 9 12.684 -3.077 -1.771 99 H GLY 10 HN GLY 10 13.417 -0.316 -2.315 100 1HA GLY 10 1HA GLY 10 15.757 0.060 -2.847 101 2HA GLY 10 2HA GLY 10 15.533 -0.821 -4.355 102 QA GLY 10 QA GLY 10 15.645 -0.381 -3.601 103 H CYS 11 HN CYS 11 12.917 0.891 -4.384 104 HA CYS 11 HA CYS 11 14.134 3.252 -5.737 105 1HB CYS 11 2HB CYS 11 11.633 3.051 -6.774 106 2HB CYS 11 3HB CYS 11 13.040 2.296 -7.479 107 QB CYS 11 QB CYS 11 12.336 2.673 -7.127 108 HA PRO 12 HA PRO 12 12.170 5.872 -2.771 109 1HB PRO 12 2HB PRO 12 11.301 7.895 -4.565 110 2HB PRO 12 3HB PRO 12 12.839 7.854 -3.698 111 1HG PRO 12 2HG PRO 12 12.256 7.129 -6.546 112 2HG PRO 12 3HG PRO 12 13.756 7.746 -5.837 113 1HD PRO 12 2HD PRO 12 13.408 5.110 -6.571 114 2HD PRO 12 3HD PRO 12 14.505 5.605 -5.264 115 QB PRO 12 QB PRO 12 12.070 7.875 -4.132 116 QG PRO 12 QG PRO 12 13.006 7.438 -6.192 117 QD PRO 12 QD PRO 12 13.957 5.357 -5.917 118 OH TYR 13 OH TYR 13 6.181 11.024 -7.264 119 H TYR 13 HN TYR 13 10.331 5.717 -5.831 120 HA TYR 13 HA TYR 13 7.779 6.080 -4.532 121 1HB TYR 13 2HB TYR 13 8.701 5.411 -7.287 122 2HB TYR 13 3HB TYR 13 7.047 4.961 -6.887 123 HD1 TYR 13 HD2 TYR 13 9.136 7.912 -5.819 124 HD2 TYR 13 HD1 TYR 13 5.637 6.575 -7.851 125 HE1 TYR 13 HE2 TYR 13 8.401 10.226 -6.078 126 HE2 TYR 13 HE1 TYR 13 4.907 8.900 -8.111 127 HH TYR 13 HH TYR 13 6.861 11.603 -6.915 128 QB TYR 13 QB TYR 13 7.874 5.186 -7.087 129 QR TYR 13 QR TYR 13 7.020 8.403 -6.965 130 H CYS 14 HN CYS 14 9.708 3.374 -4.345 131 HA CYS 14 HA CYS 14 7.272 1.635 -4.123 132 1HB CYS 14 2HB CYS 14 8.697 -0.284 -4.459 133 2HB CYS 14 3HB CYS 14 8.874 0.827 -5.789 134 QB CYS 14 QB CYS 14 8.785 0.272 -5.124 135 H VAL 15 HN VAL 15 10.347 2.498 -2.601 136 HA VAL 15 HA VAL 15 9.765 0.960 -0.204 137 HB VAL 15 HB VAL 15 11.713 3.261 -0.598 138 1HG1 VAL 15 2HG1 VAL 15 11.532 1.069 1.515 139 2HG1 VAL 15 3HG1 VAL 15 12.823 2.262 1.394 140 3HG1 VAL 15 1HG1 VAL 15 11.185 2.773 1.789 141 1HG2 VAL 15 3HG2 VAL 15 12.066 1.350 -2.142 142 2HG2 VAL 15 1HG2 VAL 15 13.344 1.428 -0.933 143 3HG2 VAL 15 2HG2 VAL 15 12.049 0.244 -0.769 144 QG1 VAL 15 QG1 VAL 15 11.847 2.035 1.566 145 QG2 VAL 15 QG2 VAL 15 12.487 1.007 -1.281 146 QQG VAL 15 QQG VAL 15 12.167 1.521 0.142 147 NH1 ARG 16 NH2 ARG 16 5.944 6.892 2.514 148 NH2 ARG 16 NH1 ARG 16 7.397 8.047 3.808 149 H ARG 16 HN ARG 16 9.126 4.263 -1.325 150 HA ARG 16 HA ARG 16 8.254 5.268 1.247 151 1HB ARG 16 2HB ARG 16 7.929 6.175 -1.608 152 2HB ARG 16 3HB ARG 16 6.975 6.938 -0.359 153 1HG ARG 16 2HG ARG 16 9.999 6.717 -0.288 154 2HG ARG 16 3HG ARG 16 9.122 8.139 -0.830 155 1HD ARG 16 2HD ARG 16 9.251 6.965 1.958 156 2HD ARG 16 3HD ARG 16 9.608 8.610 1.441 157 HE ARG 16 HE ARG 16 7.032 8.733 0.936 158 1HH1 ARG 16 2HH2 ARG 16 5.597 6.646 1.611 159 2HH1 ARG 16 1HH2 ARG 16 5.544 6.460 3.334 160 1HH2 ARG 16 2HH1 ARG 16 8.153 8.685 3.888 161 2HH2 ARG 16 1HH1 ARG 16 6.984 7.645 4.638 162 QB ARG 16 QB ARG 16 7.452 6.556 -0.983 163 QG ARG 16 QG ARG 16 9.560 7.428 -0.559 164 QD ARG 16 QD ARG 16 9.429 7.788 1.699 165 QH1 ARG 16 QH2 ARG 16 5.570 6.553 2.473 166 QH2 ARG 16 QH1 ARG 16 7.569 8.165 4.263 167 H ALA 17 HN ALA 17 7.087 2.731 0.182 168 HA ALA 17 HA ALA 17 4.201 3.404 0.526 169 1HB ALA 17 2HB ALA 17 4.729 2.525 -1.751 170 2HB ALA 17 3HB ALA 17 5.449 1.094 -1.023 171 3HB ALA 17 1HB ALA 17 3.722 1.395 -0.849 172 QB ALA 17 QB ALA 17 4.633 1.671 -1.208 173 H LYS 18 HN LYS 18 6.735 0.933 1.000 174 HA LYS 18 HA LYS 18 5.265 -0.721 2.759 175 1HB LYS 18 2HB LYS 18 7.302 -1.469 1.672 176 2HB LYS 18 3HB LYS 18 8.239 -0.205 2.460 177 1HG LYS 18 2HG LYS 18 6.645 -2.068 4.201 178 2HG LYS 18 3HG LYS 18 8.106 -2.702 3.452 179 1HD LYS 18 2HD LYS 18 9.457 -0.979 4.414 180 2HD LYS 18 3HD LYS 18 8.078 -0.084 4.981 181 1HE LYS 18 2HE LYS 18 8.514 -2.920 5.919 182 2HE LYS 18 3HE LYS 18 9.278 -1.559 6.739 183 1HZ LYS 18 1HZ LYS 18 6.582 -0.891 6.325 184 2HZ LYS 18 2HZ LYS 18 6.607 -2.457 6.987 185 3HZ LYS 18 3HZ LYS 18 7.388 -1.194 7.800 186 QB LYS 18 QB LYS 18 7.771 -0.837 2.066 187 QG LYS 18 QG LYS 18 7.376 -2.385 3.826 188 QD LYS 18 QD LYS 18 8.767 -0.532 4.697 189 QE LYS 18 QE LYS 18 8.896 -2.239 6.329 190 QZ LYS 18 QZ LYS 18 6.859 -1.514 7.037 191 H ASP 19 HN ASP 19 7.003 2.245 3.269 192 HA ASP 19 HA ASP 19 6.868 2.081 6.175 193 1HB ASP 19 2HB ASP 19 7.883 4.241 6.126 194 2HB ASP 19 3HB ASP 19 8.553 3.427 4.716 195 QB ASP 19 QB ASP 19 8.218 3.834 5.421 196 H LEU 20 HN LEU 20 5.025 3.702 3.583 197 HA LEU 20 HA LEU 20 3.314 5.196 5.315 198 1HB LEU 20 2HB LEU 20 3.369 5.574 2.854 199 2HB LEU 20 3HB LEU 20 2.614 4.018 2.584 200 HG LEU 20 HG LEU 20 0.565 4.757 3.715 201 1HD1 LEU 20 2HD1 LEU 20 2.092 7.346 4.225 202 2HD1 LEU 20 3HD1 LEU 20 0.373 7.114 4.532 203 3HD1 LEU 20 1HD1 LEU 20 1.554 6.203 5.455 204 1HD2 LEU 20 3HD2 LEU 20 0.836 5.399 1.316 205 2HD2 LEU 20 1HD2 LEU 20 -0.120 6.586 2.196 206 3HD2 LEU 20 2HD2 LEU 20 1.567 6.917 1.815 207 QB LEU 20 QB LEU 20 2.992 4.796 2.719 208 QD1 LEU 20 QD1 LEU 20 1.340 6.888 4.737 209 QD2 LEU 20 QD2 LEU 20 0.761 6.301 1.775 210 QQD LEU 20 QQD LEU 20 1.050 6.594 3.256 211 H ALA 21 HN ALA 21 2.952 1.970 3.876 212 HA ALA 21 HA ALA 21 0.546 1.276 5.253 213 1HB ALA 21 2HB ALA 21 1.480 -0.085 3.366 214 2HB ALA 21 3HB ALA 21 2.802 -0.593 4.414 215 3HB ALA 21 1HB ALA 21 1.146 -1.068 4.789 216 QB ALA 21 QB ALA 21 1.809 -0.582 4.189 217 H GLU 22 HN GLU 22 3.936 1.264 6.175 218 HA GLU 22 HA GLU 22 3.653 -0.290 8.553 219 1HB GLU 22 2HB GLU 22 5.832 0.443 7.483 220 2HB GLU 22 3HB GLU 22 5.541 2.051 8.113 221 1HG GLU 22 2HG GLU 22 6.833 1.150 9.791 222 2HG GLU 22 3HG GLU 22 5.228 0.799 10.408 223 QB GLU 22 QB GLU 22 5.686 1.247 7.798 224 QG GLU 22 QG GLU 22 6.030 0.975 10.100 225 H LYS 23 HN LYS 23 3.776 3.238 8.099 226 HA LYS 23 HA LYS 23 3.069 3.883 10.765 227 1HB LYS 23 2HB LYS 23 3.828 5.475 8.843 228 2HB LYS 23 3HB LYS 23 2.137 5.514 8.376 229 1HG LYS 23 2HG LYS 23 2.428 7.387 9.841 230 2HG LYS 23 3HG LYS 23 1.638 6.169 10.809 231 1HD LYS 23 2HD LYS 23 4.570 5.971 10.904 232 2HD LYS 23 3HD LYS 23 3.960 7.493 11.520 233 1HE LYS 23 2HE LYS 23 2.999 4.758 12.452 234 2HE LYS 23 3HE LYS 23 4.186 5.735 13.291 235 1HZ LYS 23 2HZ LYS 23 1.851 7.287 12.794 236 2HZ LYS 23 3HZ LYS 23 1.416 5.817 13.516 237 3HZ LYS 23 1HZ LYS 23 2.545 6.820 14.276 238 QB LYS 23 QB LYS 23 2.982 5.494 8.609 239 QG LYS 23 QG LYS 23 2.033 6.778 10.325 240 QD LYS 23 QD LYS 23 4.265 6.732 11.212 241 QE LYS 23 QE LYS 23 3.593 5.246 12.871 242 QZ LYS 23 QZ LYS 23 1.937 6.641 13.529 243 H LEU 24 HN LEU 24 0.911 3.510 7.894 244 HA LEU 24 HA LEU 24 -1.522 3.887 9.217 245 1HB LEU 24 2HB LEU 24 -0.890 1.878 7.054 246 2HB LEU 24 3HB LEU 24 -2.522 2.246 7.597 247 HG LEU 24 HG LEU 24 -0.546 4.253 6.433 248 1HD1 LEU 24 2HD1 LEU 24 -1.523 2.695 4.766 249 2HD1 LEU 24 3HD1 LEU 24 -3.136 3.121 5.322 250 3HD1 LEU 24 1HD1 LEU 24 -2.122 4.333 4.548 251 1HD2 LEU 24 2HD2 LEU 24 -3.426 4.597 7.356 252 2HD2 LEU 24 3HD2 LEU 24 -2.009 5.328 8.100 253 3HD2 LEU 24 1HD2 LEU 24 -2.499 5.808 6.490 254 QB LEU 24 QB LEU 24 -1.706 2.062 7.326 255 QD1 LEU 24 QD1 LEU 24 -2.260 3.383 4.879 256 QD2 LEU 24 QD2 LEU 24 -2.645 5.244 7.315 257 QQD LEU 24 QQD LEU 24 -2.453 4.314 6.097 258 H SER 25 HN SER 25 0.148 0.720 8.913 259 HA SER 25 HA SER 25 -1.488 -0.745 10.664 260 1HB SER 25 2HB SER 25 1.562 -0.875 10.527 261 2HB SER 25 3HB SER 25 0.495 -2.149 11.154 262 HG SER 25 HG SER 25 0.729 -1.138 8.530 263 QB SER 25 QB SER 25 1.028 -1.512 10.840 264 H ASN 26 HN ASN 26 1.187 1.384 11.426 265 HA ASN 26 HA ASN 26 0.653 1.230 14.346 266 1HB ASN 26 2HB ASN 26 2.950 1.069 13.580 267 2HB ASN 26 3HB ASN 26 2.782 2.524 12.619 268 1HD2 ASN 26 2HD2 ASN 26 2.532 3.586 16.502 269 2HD2 ASN 26 1HD2 ASN 26 1.317 2.668 15.766 270 QB ASN 26 QB ASN 26 2.866 1.797 13.100 271 QD2 ASN 26 QD2 ASN 26 1.924 3.127 16.134 272 H GLU 27 HN GLU 27 -1.340 2.362 12.774 273 HA GLU 27 HA GLU 27 -1.389 5.152 13.839 274 1HB GLU 27 2HB GLU 27 -1.735 4.248 11.018 275 2HB GLU 27 3HB GLU 27 -2.645 5.614 11.574 276 1HG GLU 27 2HG GLU 27 0.306 5.501 12.023 277 2HG GLU 27 3HG GLU 27 -0.321 5.996 10.458 278 QB GLU 27 QB GLU 27 -2.190 4.931 11.296 279 QG GLU 27 QG GLU 27 -0.008 5.748 11.240 280 NH1 ARG 28 NH2 ARG 28 -6.127 7.935 9.626 281 NH2 ARG 28 NH1 ARG 28 -4.230 8.886 10.465 282 H ARG 28 HN ARG 28 -3.351 2.909 11.924 283 HA ARG 28 HA ARG 28 -5.746 3.953 13.367 284 1HB ARG 28 2HB ARG 28 -5.837 2.273 10.854 285 2HB ARG 28 3HB ARG 28 -7.045 3.396 11.459 286 1HG ARG 28 2HG ARG 28 -4.326 4.098 10.279 287 2HG ARG 28 3HG ARG 28 -5.898 4.441 9.576 288 1HD ARG 28 2HD ARG 28 -6.405 6.072 11.291 289 2HD ARG 28 3HD ARG 28 -5.026 5.579 12.263 290 HE ARG 28 HE ARG 28 -3.586 6.454 10.334 291 1HH1 ARG 28 2HH2 ARG 28 -6.660 7.111 9.467 292 2HH1 ARG 28 1HH2 ARG 28 -6.475 8.839 9.318 293 1HH2 ARG 28 2HH1 ARG 28 -3.333 8.756 10.911 294 2HH2 ARG 28 1HH1 ARG 28 -4.543 9.807 10.207 295 QB ARG 28 QB ARG 28 -6.441 2.834 11.156 296 QG ARG 28 QG ARG 28 -5.112 4.269 9.928 297 QD ARG 28 QD ARG 28 -5.715 5.825 11.777 298 QH1 ARG 28 QH2 ARG 28 -6.568 7.975 9.393 299 QH2 ARG 28 QH1 ARG 28 -3.938 9.282 10.559 300 H ASP 29 HN ASP 29 -7.453 1.820 12.635 301 HA ASP 29 HA ASP 29 -6.649 -0.112 14.743 302 1HB ASP 29 2HB ASP 29 -8.758 1.241 14.956 303 2HB ASP 29 3HB ASP 29 -9.397 0.390 13.566 304 QB ASP 29 QB ASP 29 -9.078 0.816 14.261 305 H ASP 30 HN ASP 30 -8.888 -0.587 11.948 306 HA ASP 30 HA ASP 30 -7.821 -3.321 11.755 307 1HB ASP 30 2HB ASP 30 -9.655 -3.753 10.242 308 2HB ASP 30 3HB ASP 30 -10.274 -2.789 11.574 309 QB ASP 30 QB ASP 30 -9.965 -3.271 10.908 310 H PHE 31 HN PHE 31 -5.727 -1.845 11.152 311 HA PHE 31 HA PHE 31 -5.574 -1.983 8.164 312 1HB PHE 31 2HB PHE 31 -5.280 0.347 9.047 313 2HB PHE 31 3HB PHE 31 -3.876 -0.216 9.954 314 HD1 PHE 31 1HD PHE 31 -1.903 -1.172 8.695 315 HD2 PHE 31 2HD PHE 31 -5.147 0.658 6.631 316 HE1 PHE 31 1HE PHE 31 -0.523 -0.998 6.685 317 HE2 PHE 31 2HE PHE 31 -3.759 0.802 4.608 318 HZ PHE 31 HZ PHE 31 -1.436 0.007 4.647 319 QB PHE 31 QB PHE 31 -4.578 0.066 9.500 320 QR PHE 31 QR PHE 31 -2.833 -0.177 6.655 321 H GLN 32 HN GLN 32 -3.936 -3.073 7.275 322 HA GLN 32 HA GLN 32 -1.626 -4.049 8.793 323 1HB GLN 32 2HB GLN 32 -3.444 -6.121 7.503 324 2HB GLN 32 3HB GLN 32 -2.041 -6.413 8.511 325 1HG GLN 32 2HG GLN 32 -3.263 -5.426 10.458 326 2HG GLN 32 3HG GLN 32 -4.689 -5.247 9.438 327 1HE2 GLN 32 2HE2 GLN 32 -5.570 -8.637 9.756 328 2HE2 GLN 32 1HE2 GLN 32 -6.045 -7.070 9.330 329 QB GLN 32 QB GLN 32 -2.743 -6.267 8.007 330 QG GLN 32 QG GLN 32 -3.976 -5.336 9.948 331 QE2 GLN 32 QE2 GLN 32 -5.808 -7.853 9.543 332 OH TYR 33 OH TYR 33 5.264 -3.416 7.492 333 H TYR 33 HN TYR 33 -0.443 -5.664 7.043 334 HA TYR 33 HA TYR 33 -1.148 -5.200 4.309 335 1HB TYR 33 2HB TYR 33 0.526 -3.610 3.616 336 2HB TYR 33 3HB TYR 33 -0.317 -2.883 4.978 337 HD1 TYR 33 HD1 TYR 33 0.747 -3.190 7.337 338 HD2 TYR 33 HD2 TYR 33 2.856 -3.947 3.708 339 HE1 TYR 33 HE1 TYR 33 2.876 -3.064 8.544 340 HE2 TYR 33 HE2 TYR 33 4.976 -3.818 4.917 341 HH TYR 33 HH TYR 33 5.093 -3.059 8.386 342 QB TYR 33 QB TYR 33 0.105 -3.247 4.297 343 QR TYR 33 QR TYR 33 2.864 -3.504 6.126 344 H GLN 34 HN GLN 34 0.342 -5.979 2.820 345 HA GLN 34 HA GLN 34 2.507 -7.708 3.909 346 1HB GLN 34 2HB GLN 34 0.467 -9.094 3.474 347 2HB GLN 34 3HB GLN 34 0.429 -8.503 1.821 348 1HG GLN 34 2HG GLN 34 1.477 -10.772 2.005 349 2HG GLN 34 3HG GLN 34 2.583 -9.576 1.339 350 1HE2 GLN 34 2HE2 GLN 34 3.482 -11.353 4.860 351 2HE2 GLN 34 1HE2 GLN 34 2.052 -11.741 4.035 352 QB GLN 34 QB GLN 34 0.448 -8.798 2.648 353 QG GLN 34 QG GLN 34 2.030 -10.174 1.672 354 QE2 GLN 34 QE2 GLN 34 2.767 -11.547 4.448 355 OH TYR 35 OH TYR 35 8.462 -3.012 -2.820 356 H TYR 35 HN TYR 35 4.250 -8.007 2.348 357 HA TYR 35 HA TYR 35 4.154 -5.838 0.285 358 1HB TYR 35 2HB TYR 35 6.014 -5.850 2.052 359 2HB TYR 35 3HB TYR 35 6.655 -7.269 1.227 360 HD1 TYR 35 HD1 TYR 35 7.355 -7.078 -1.188 361 HD2 TYR 35 HD2 TYR 35 6.235 -3.651 1.057 362 HE1 TYR 35 HE1 TYR 35 8.311 -5.630 -2.913 363 HE2 TYR 35 HE2 TYR 35 7.198 -2.207 -0.677 364 HH TYR 35 HH TYR 35 9.380 -2.895 -2.505 365 QB TYR 35 QB TYR 35 6.335 -6.560 1.639 366 QR TYR 35 QR TYR 35 7.275 -4.641 -0.930 367 H VAL 36 HN VAL 36 4.628 -6.218 -1.792 368 HA VAL 36 HA VAL 36 5.071 -9.029 -2.634 369 HB VAL 36 HB VAL 36 2.839 -7.120 -3.297 370 1HG1 VAL 36 1HG1 VAL 36 3.989 -7.467 -5.498 371 2HG1 VAL 36 2HG1 VAL 36 3.910 -9.207 -5.253 372 3HG1 VAL 36 3HG1 VAL 36 2.431 -8.276 -5.444 373 1HG2 VAL 36 2HG2 VAL 36 2.501 -9.089 -1.837 374 2HG2 VAL 36 3HG2 VAL 36 1.573 -9.240 -3.325 375 3HG2 VAL 36 1HG2 VAL 36 3.066 -10.152 -3.123 376 QG1 VAL 36 QG1 VAL 36 3.443 -8.316 -5.398 377 QG2 VAL 36 QG2 VAL 36 2.380 -9.494 -2.761 378 QQG VAL 36 QQG VAL 36 2.912 -8.905 -4.080 379 H ASP 37 HN ASP 37 6.217 -9.235 -4.538 380 HA ASP 37 HA ASP 37 7.585 -6.786 -5.558 381 1HB ASP 37 2HB ASP 37 9.278 -7.944 -4.407 382 2HB ASP 37 3HB ASP 37 8.607 -9.514 -4.795 383 QB ASP 37 QB ASP 37 8.942 -8.729 -4.601 384 H ILE 38 HN ILE 38 6.885 -6.409 -7.531 385 HA ILE 38 HA ILE 38 5.238 -7.991 -9.095 386 HB ILE 38 HB ILE 38 5.897 -6.595 -10.994 387 1HG1 ILE 38 2HG1 ILE 38 8.046 -5.385 -9.250 388 2HG1 ILE 38 3HG1 ILE 38 8.369 -6.698 -10.370 389 1HG2 ILE 38 2HG2 ILE 38 4.384 -5.667 -9.276 390 2HG2 ILE 38 3HG2 ILE 38 5.767 -5.080 -8.364 391 3HG2 ILE 38 1HG2 ILE 38 5.407 -4.403 -9.945 392 1HD1 ILE 38 2HD1 ILE 38 7.116 -4.040 -11.137 393 2HD1 ILE 38 3HD1 ILE 38 8.785 -4.505 -11.447 394 3HD1 ILE 38 1HD1 ILE 38 7.472 -5.370 -12.241 395 QG1 ILE 38 QG1 ILE 38 8.207 -6.041 -9.810 396 QG2 ILE 38 QG2 ILE 38 5.186 -5.050 -9.195 397 QD1 ILE 38 QD1 ILE 38 7.791 -4.638 -11.608 398 NH1 ARG 39 NH1 ARG 39 13.057 -9.233 -7.097 399 NH2 ARG 39 NH2 ARG 39 15.151 -9.818 -7.793 400 H ARG 39 HN ARG 39 8.721 -8.183 -8.760 401 HA ARG 39 HA ARG 39 9.075 -9.900 -11.083 402 1HB ARG 39 2HB ARG 39 10.959 -8.597 -10.030 403 2HB ARG 39 3HB ARG 39 10.869 -9.660 -8.642 404 1HG ARG 39 2HG ARG 39 11.300 -11.619 -10.130 405 2HG ARG 39 3HG ARG 39 11.447 -10.520 -11.492 406 1HD ARG 39 2HD ARG 39 13.691 -10.987 -10.738 407 2HD ARG 39 3HD ARG 39 13.314 -9.346 -10.223 408 HE ARG 39 HE ARG 39 13.103 -11.689 -8.350 409 1HH1 ARG 39 2HH1 ARG 39 12.068 -9.405 -7.147 410 2HH1 ARG 39 1HH1 ARG 39 13.398 -8.535 -6.471 411 1HH2 ARG 39 2HH2 ARG 39 15.720 -10.381 -8.393 412 2HH2 ARG 39 1HH2 ARG 39 15.581 -9.178 -7.157 413 QB ARG 39 QB ARG 39 10.914 -9.128 -9.336 414 QG ARG 39 QG ARG 39 11.373 -11.070 -10.811 415 QD ARG 39 QD ARG 39 13.502 -10.166 -10.480 416 QH1 ARG 39 QH1 ARG 39 12.733 -8.970 -6.809 417 QH2 ARG 39 QH2 ARG 39 15.651 -9.780 -7.775 418 H ALA 40 HN ALA 40 9.267 -10.624 -7.582 419 HA ALA 40 HA ALA 40 9.346 -13.379 -7.576 420 1HB ALA 40 2HB ALA 40 9.178 -12.025 -5.507 421 2HB ALA 40 3HB ALA 40 7.485 -11.690 -5.862 422 3HB ALA 40 1HB ALA 40 7.996 -13.331 -5.494 423 QB ALA 40 QB ALA 40 8.220 -12.349 -5.621 424 H GLU 41 HN GLU 41 6.470 -11.397 -8.102 425 HA GLU 41 HA GLU 41 4.713 -13.691 -8.559 426 1HB GLU 41 2HB GLU 41 4.362 -10.716 -9.127 427 2HB GLU 41 3HB GLU 41 3.115 -11.903 -9.486 428 1HG GLU 41 2HG GLU 41 3.150 -12.601 -7.062 429 2HG GLU 41 3HG GLU 41 4.304 -11.316 -6.747 430 QB GLU 41 QB GLU 41 3.739 -11.310 -9.307 431 QG GLU 41 QG GLU 41 3.727 -11.958 -6.904 432 H GLY 42 HN GLY 42 6.269 -11.312 -10.709 433 1HA GLY 42 1HA GLY 42 7.334 -12.200 -12.787 434 2HA GLY 42 2HA GLY 42 5.954 -13.279 -12.953 435 QA GLY 42 QA GLY 42 6.644 -12.740 -12.870 436 H ILE 43 HN ILE 43 5.992 -9.856 -12.164 437 HA ILE 43 HA ILE 43 4.197 -9.358 -14.483 438 HB ILE 43 HB ILE 43 4.713 -7.689 -11.994 439 1HG1 ILE 43 2HG1 ILE 43 2.387 -9.524 -12.654 440 2HG1 ILE 43 3HG1 ILE 43 3.678 -9.921 -11.534 441 1HG2 ILE 43 2HG2 ILE 43 2.577 -7.516 -14.139 442 2HG2 ILE 43 3HG2 ILE 43 2.612 -6.539 -12.681 443 3HG2 ILE 43 1HG2 ILE 43 3.875 -6.354 -13.883 444 1HD1 ILE 43 2HD1 ILE 43 3.068 -7.961 -10.136 445 2HD1 ILE 43 3HD1 ILE 43 1.746 -7.596 -11.242 446 3HD1 ILE 43 1HD1 ILE 43 1.725 -9.083 -10.312 447 QG1 ILE 43 QG1 ILE 43 3.032 -9.723 -12.094 448 QG2 ILE 43 QG2 ILE 43 3.021 -6.803 -13.568 449 QD1 ILE 43 QD1 ILE 43 2.180 -8.213 -10.564 450 H THR 44 HN THR 44 4.485 -7.258 -15.579 451 HA THR 44 HA THR 44 7.378 -6.597 -15.878 452 HB THR 44 HB THR 44 6.677 -5.957 -18.253 453 HG1 THR 44 1HG THR 44 4.533 -6.432 -18.754 454 1HG2 THR 44 2HG2 THR 44 7.418 -8.342 -17.687 455 2HG2 THR 44 3HG2 THR 44 5.729 -8.734 -17.385 456 3HG2 THR 44 1HG2 THR 44 6.251 -8.266 -19.004 457 QG2 THR 44 QG2 THR 44 6.466 -8.448 -18.025 458 H LYS 45 HN LYS 45 5.187 -4.654 -17.549 459 HA LYS 45 HA LYS 45 5.214 -2.430 -15.566 460 1HB LYS 45 2HB LYS 45 7.276 -2.175 -16.910 461 2HB LYS 45 3HB LYS 45 6.347 -2.293 -18.395 462 1HG LYS 45 2HG LYS 45 5.107 -0.202 -17.715 463 2HG LYS 45 3HG LYS 45 6.184 -0.058 -16.331 464 1HD LYS 45 2HD LYS 45 8.113 0.230 -17.750 465 2HD LYS 45 3HD LYS 45 7.235 -0.293 -19.179 466 1HE LYS 45 2HE LYS 45 7.132 2.006 -19.487 467 2HE LYS 45 3HE LYS 45 5.665 1.763 -18.562 468 1HZ LYS 45 1HZ LYS 45 7.898 2.132 -16.844 469 2HZ LYS 45 2HZ LYS 45 7.717 3.440 -17.935 470 3HZ LYS 45 3HZ LYS 45 6.444 2.996 -16.924 471 QB LYS 45 QB LYS 45 6.811 -2.234 -17.653 472 QG LYS 45 QG LYS 45 5.646 -0.130 -17.023 473 QD LYS 45 QD LYS 45 7.674 -0.032 -18.465 474 QE LYS 45 QE LYS 45 6.398 1.884 -19.024 475 QZ LYS 45 QZ LYS 45 7.353 2.856 -17.234 476 H GLU 46 HN GLU 46 3.979 -3.984 -18.374 477 HA GLU 46 HA GLU 46 1.896 -1.954 -18.877 478 1HB GLU 46 2HB GLU 46 1.797 -4.658 -20.190 479 2HB GLU 46 3HB GLU 46 1.422 -3.086 -20.868 480 1HG GLU 46 2HG GLU 46 3.436 -3.731 -21.959 481 2HG GLU 46 3HG GLU 46 3.979 -2.614 -20.709 482 QB GLU 46 QB GLU 46 1.610 -3.872 -20.529 483 QG GLU 46 QG GLU 46 3.707 -3.173 -21.334 484 H ASP 47 HN ASP 47 2.071 -5.416 -17.988 485 HA ASP 47 HA ASP 47 -0.649 -5.910 -17.488 486 1HB ASP 47 2HB ASP 47 0.946 -7.721 -17.258 487 2HB ASP 47 3HB ASP 47 1.782 -6.889 -15.957 488 QB ASP 47 QB ASP 47 1.364 -7.305 -16.607 489 H LEU 48 HN LEU 48 1.679 -4.992 -14.978 490 HA LEU 48 HA LEU 48 0.128 -4.604 -12.799 491 1HB LEU 48 2HB LEU 48 2.605 -3.497 -13.661 492 2HB LEU 48 3HB LEU 48 1.664 -2.163 -13.015 493 HG LEU 48 HG LEU 48 2.164 -4.799 -11.571 494 1HD1 LEU 48 1HD1 LEU 48 3.299 -2.017 -11.132 495 2HD1 LEU 48 2HD1 LEU 48 3.568 -3.396 -10.066 496 3HD1 LEU 48 3HD1 LEU 48 4.194 -3.419 -11.715 497 1HD2 LEU 48 1HD2 LEU 48 0.834 -2.228 -10.646 498 2HD2 LEU 48 2HD2 LEU 48 -0.006 -3.742 -10.946 499 3HD2 LEU 48 3HD2 LEU 48 1.150 -3.623 -9.623 500 QB LEU 48 QB LEU 48 2.135 -2.830 -13.338 501 QD1 LEU 48 QD1 LEU 48 3.687 -2.944 -10.971 502 QD2 LEU 48 QD2 LEU 48 0.659 -3.198 -10.405 503 QQD LEU 48 QQD LEU 48 2.173 -3.071 -10.688 504 H GLN 49 HN GLN 49 0.275 -2.236 -15.455 505 HA GLN 49 HA GLN 49 -1.510 -0.331 -14.311 506 1HB GLN 49 2HB GLN 49 -1.081 -1.065 -17.243 507 2HB GLN 49 3HB GLN 49 -1.942 0.371 -16.696 508 1HG GLN 49 2HG GLN 49 0.086 1.131 -15.473 509 2HG GLN 49 3HG GLN 49 0.950 -0.303 -16.000 510 1HE2 GLN 49 2HE2 GLN 49 2.047 1.297 -18.912 511 2HE2 GLN 49 1HE2 GLN 49 2.304 0.109 -17.708 512 QB GLN 49 QB GLN 49 -1.512 -0.347 -16.970 513 QG GLN 49 QG GLN 49 0.518 0.414 -15.736 514 QE2 GLN 49 QE2 GLN 49 2.175 0.703 -18.310 515 H GLN 50 HN GLN 50 -2.269 -3.029 -16.533 516 HA GLN 50 HA GLN 50 -5.129 -2.799 -16.317 517 1HB GLN 50 2HB GLN 50 -3.392 -5.236 -16.850 518 2HB GLN 50 3HB GLN 50 -5.139 -5.269 -16.950 519 1HG GLN 50 2HG GLN 50 -4.549 -4.859 -19.179 520 2HG GLN 50 3HG GLN 50 -4.822 -3.224 -18.590 521 1HE2 GLN 50 2HE2 GLN 50 -0.986 -4.483 -19.229 522 2HE2 GLN 50 1HE2 GLN 50 -2.206 -5.633 -18.963 523 QB GLN 50 QB GLN 50 -4.266 -5.253 -16.900 524 QG GLN 50 QG GLN 50 -4.686 -4.042 -18.884 525 QE2 GLN 50 QE2 GLN 50 -1.596 -5.058 -19.096 526 H LYS 51 HN LYS 51 -2.762 -4.498 -14.425 527 HA LYS 51 HA LYS 51 -4.509 -5.982 -12.708 528 1HB LYS 51 2HB LYS 51 -1.737 -5.634 -13.047 529 2HB LYS 51 3HB LYS 51 -2.050 -5.088 -11.417 530 1HG LYS 51 2HG LYS 51 -3.542 -7.374 -11.440 531 2HG LYS 51 3HG LYS 51 -2.326 -7.804 -12.625 532 1HD LYS 51 2HD LYS 51 -1.621 -8.529 -10.368 533 2HD LYS 51 3HD LYS 51 -0.527 -7.310 -11.001 534 1HE LYS 51 2HE LYS 51 -1.254 -6.978 -8.571 535 2HE LYS 51 3HE LYS 51 -1.494 -5.585 -9.614 536 1HZ LYS 51 2HZ LYS 51 -3.753 -7.340 -9.646 537 2HZ LYS 51 3HZ LYS 51 -3.399 -6.811 -8.072 538 3HZ LYS 51 1HZ LYS 51 -3.683 -5.676 -9.320 539 QB LYS 51 QB LYS 51 -1.893 -5.361 -12.232 540 QG LYS 51 QG LYS 51 -2.934 -7.589 -12.032 541 QD LYS 51 QD LYS 51 -1.074 -7.919 -10.684 542 QE LYS 51 QE LYS 51 -1.374 -6.282 -9.092 543 QZ LYS 51 QZ LYS 51 -3.612 -6.609 -9.012 544 H ALA 52 HN ALA 52 -3.370 -2.738 -12.687 545 HA ALA 52 HA ALA 52 -4.663 -2.150 -10.072 546 1HB ALA 52 3HB ALA 52 -2.816 -0.537 -11.878 547 2HB ALA 52 1HB ALA 52 -3.440 0.037 -10.341 548 3HB ALA 52 2HB ALA 52 -2.362 -1.349 -10.385 549 QB ALA 52 QB ALA 52 -2.873 -0.616 -10.868 550 H GLY 53 HN GLY 53 -4.352 -0.267 -13.052 551 1HA GLY 53 1HA GLY 53 -6.438 0.135 -14.406 552 2HA GLY 53 2HA GLY 53 -7.297 0.289 -12.880 553 QA GLY 53 QA GLY 53 -6.867 0.212 -13.643 554 H LYS 54 HN LYS 54 -4.146 1.671 -13.745 555 HA LYS 54 HA LYS 54 -5.406 4.367 -13.742 556 1HB LYS 54 2HB LYS 54 -3.186 3.423 -11.920 557 2HB LYS 54 3HB LYS 54 -3.325 5.117 -12.358 558 1HG LYS 54 2HG LYS 54 -5.738 3.669 -11.325 559 2HG LYS 54 3HG LYS 54 -4.534 4.244 -10.188 560 1HD LYS 54 2HD LYS 54 -4.759 6.539 -11.291 561 2HD LYS 54 3HD LYS 54 -6.128 5.887 -12.190 562 1HE LYS 54 2HE LYS 54 -6.945 7.030 -10.179 563 2HE LYS 54 3HE LYS 54 -7.233 5.298 -10.024 564 1HZ LYS 54 1HZ LYS 54 -4.663 5.902 -9.043 565 2HZ LYS 54 2HZ LYS 54 -5.765 6.965 -8.315 566 3HZ LYS 54 3HZ LYS 54 -6.005 5.277 -8.192 567 QB LYS 54 QB LYS 54 -3.255 4.270 -12.139 568 QG LYS 54 QG LYS 54 -5.136 3.957 -10.756 569 QD LYS 54 QD LYS 54 -5.443 6.213 -11.741 570 QE LYS 54 QE LYS 54 -7.089 6.164 -10.102 571 QZ LYS 54 QZ LYS 54 -5.478 6.048 -8.517 572 HA PRO 55 HA PRO 55 -2.627 4.931 -17.097 573 1HB PRO 55 2HB PRO 55 -2.708 7.661 -17.339 574 2HB PRO 55 3HB PRO 55 -4.083 6.624 -17.744 575 1HG PRO 55 2HG PRO 55 -3.639 8.316 -15.298 576 2HG PRO 55 3HG PRO 55 -5.150 7.954 -16.143 577 1HD PRO 55 2HD PRO 55 -4.278 6.686 -13.787 578 2HD PRO 55 3HD PRO 55 -5.511 6.043 -14.895 579 QB PRO 55 QB PRO 55 -3.396 7.142 -17.541 580 QG PRO 55 QG PRO 55 -4.395 8.135 -15.720 581 QD PRO 55 QD PRO 55 -4.895 6.365 -14.341 582 H VAL 56 HN VAL 56 -1.176 4.396 -14.887 583 HA VAL 56 HA VAL 56 1.067 6.373 -15.016 584 HB VAL 56 HB VAL 56 1.562 5.259 -12.608 585 1HG1 VAL 56 1HG1 VAL 56 -0.472 7.479 -13.109 586 2HG1 VAL 56 2HG1 VAL 56 0.423 7.237 -11.606 587 3HG1 VAL 56 3HG1 VAL 56 1.277 7.682 -13.083 588 1HG2 VAL 56 3HG2 VAL 56 -0.446 3.784 -12.719 589 2HG2 VAL 56 1HG2 VAL 56 -0.548 4.917 -11.370 590 3HG2 VAL 56 2HG2 VAL 56 -1.467 5.211 -12.840 591 QG1 VAL 56 QG1 VAL 56 0.409 7.466 -12.599 592 QG2 VAL 56 QG2 VAL 56 -0.820 4.637 -12.310 593 QQG VAL 56 QQG VAL 56 -0.205 6.052 -12.455 594 H GLU 57 HN GLU 57 2.167 5.288 -16.604 595 HA GLU 57 HA GLU 57 2.596 2.440 -16.549 596 1HB GLU 57 2HB GLU 57 4.158 2.903 -18.421 597 2HB GLU 57 3HB GLU 57 2.628 3.713 -18.639 598 1HG GLU 57 2HG GLU 57 4.083 5.450 -19.157 599 2HG GLU 57 3HG GLU 57 3.896 5.732 -17.433 600 QB GLU 57 QB GLU 57 3.393 3.308 -18.530 601 QG GLU 57 QG GLU 57 3.989 5.591 -18.295 602 H THR 58 HN THR 58 3.772 4.691 -14.534 603 HA THR 58 HA THR 58 6.533 3.684 -14.297 604 HB THR 58 HB THR 58 4.937 5.865 -12.876 605 HG1 THR 58 1HG THR 58 6.226 5.692 -15.137 606 1HG2 THR 58 3HG2 THR 58 7.881 5.138 -12.500 607 2HG2 THR 58 1HG2 THR 58 7.094 6.578 -11.876 608 3HG2 THR 58 2HG2 THR 58 6.644 5.005 -11.245 609 QG2 THR 58 QG2 THR 58 7.206 5.573 -11.874 610 H VAL 59 HN VAL 59 7.261 3.234 -11.974 611 HA VAL 59 HA VAL 59 5.419 1.206 -10.848 612 HB VAL 59 HB VAL 59 7.664 0.479 -11.579 613 1HG1 VAL 59 2HG1 VAL 59 8.645 2.379 -9.414 614 2HG1 VAL 59 3HG1 VAL 59 9.662 1.261 -10.318 615 3HG1 VAL 59 1HG1 VAL 59 8.868 2.596 -11.144 616 1HG2 VAL 59 2HG2 VAL 59 6.577 -0.723 -9.711 617 2HG2 VAL 59 3HG2 VAL 59 8.325 -0.709 -9.522 618 3HG2 VAL 59 1HG2 VAL 59 7.335 0.380 -8.563 619 QG1 VAL 59 QG1 VAL 59 9.058 2.079 -10.292 620 QG2 VAL 59 QG2 VAL 59 7.412 -0.351 -9.265 621 QQG VAL 59 QQG VAL 59 8.235 0.864 -9.779 622 HA PRO 60 HA PRO 60 4.738 0.275 -9.364 623 1HB PRO 60 2HB PRO 60 4.254 -0.652 -6.857 624 2HB PRO 60 3HB PRO 60 5.847 -0.786 -7.604 625 1HG PRO 60 2HG PRO 60 4.937 1.034 -5.426 626 2HG PRO 60 3HG PRO 60 6.562 0.443 -5.782 627 1HD PRO 60 2HD PRO 60 5.412 3.007 -6.509 628 2HD PRO 60 3HD PRO 60 7.041 2.407 -6.887 629 QB PRO 60 QB PRO 60 5.050 -0.719 -7.230 630 QG PRO 60 QG PRO 60 5.749 0.739 -5.604 631 QD PRO 60 QD PRO 60 6.226 2.707 -6.698 632 H GLN 61 HN GLN 61 2.701 -0.681 -7.914 633 HA GLN 61 HA GLN 61 0.745 1.566 -7.650 634 1HB GLN 61 2HB GLN 61 0.473 -1.077 -9.079 635 2HB GLN 61 3HB GLN 61 -0.946 -0.303 -8.397 636 1HG GLN 61 2HG GLN 61 -0.753 0.392 -10.720 637 2HG GLN 61 3HG GLN 61 -0.384 1.775 -9.699 638 1HE2 GLN 61 2HE2 GLN 61 2.571 2.158 -11.608 639 2HE2 GLN 61 1HE2 GLN 61 1.101 2.856 -11.119 640 QB GLN 61 QB GLN 61 -0.236 -0.690 -8.738 641 QG GLN 61 QG GLN 61 -0.568 1.084 -10.210 642 QE2 GLN 61 QE2 GLN 61 1.836 2.507 -11.364 643 H ILE 62 HN ILE 62 -0.939 1.178 -6.146 644 HA ILE 62 HA ILE 62 -0.318 -0.911 -4.097 645 HB ILE 62 HB ILE 62 -1.533 1.828 -3.614 646 1HG1 ILE 62 2HG1 ILE 62 0.825 2.042 -4.352 647 2HG1 ILE 62 3HG1 ILE 62 0.626 2.506 -2.673 648 1HG2 ILE 62 1HG2 ILE 62 -0.527 -0.329 -1.729 649 2HG2 ILE 62 2HG2 ILE 62 -1.020 1.283 -1.216 650 3HG2 ILE 62 3HG2 ILE 62 -2.194 0.190 -1.936 651 1HD1 ILE 62 1HD1 ILE 62 1.655 -0.188 -3.627 652 2HD1 ILE 62 2HD1 ILE 62 2.636 1.108 -2.963 653 3HD1 ILE 62 3HD1 ILE 62 1.459 0.292 -1.945 654 QG1 ILE 62 QG1 ILE 62 0.726 2.274 -3.512 655 QG2 ILE 62 QG2 ILE 62 -1.247 0.382 -1.627 656 QD1 ILE 62 QD1 ILE 62 1.917 0.404 -2.845 657 H PHE 63 HN PHE 63 -1.957 -1.939 -3.159 658 HA PHE 63 HA PHE 63 -4.733 -1.558 -4.220 659 1HB PHE 63 2HB PHE 63 -3.206 -4.099 -3.514 660 2HB PHE 63 3HB PHE 63 -4.937 -4.062 -3.839 661 HD1 PHE 63 2HD PHE 63 -1.703 -2.925 -5.408 662 HD2 PHE 63 1HD PHE 63 -5.636 -4.446 -6.021 663 HE1 PHE 63 2HE PHE 63 -1.359 -2.827 -7.832 664 HE2 PHE 63 1HE PHE 63 -5.275 -4.394 -8.446 665 HZ PHE 63 HZ PHE 63 -3.174 -3.498 -9.345 666 QB PHE 63 QB PHE 63 -4.071 -4.080 -3.676 667 QR PHE 63 QR PHE 63 -3.493 -3.648 -6.927 668 H VAL 64 HN VAL 64 -6.223 -1.228 -2.565 669 HA VAL 64 HA VAL 64 -5.202 -1.827 0.198 670 HB VAL 64 HB VAL 64 -7.200 0.253 -0.746 671 1HG1 VAL 64 3HG1 VAL 64 -6.475 -0.549 2.094 672 2HG1 VAL 64 1HG1 VAL 64 -7.477 0.823 1.642 673 3HG1 VAL 64 2HG1 VAL 64 -8.045 -0.808 1.334 674 1HG2 VAL 64 1HG2 VAL 64 -4.723 0.777 -0.811 675 2HG2 VAL 64 2HG2 VAL 64 -5.609 1.796 0.322 676 3HG2 VAL 64 3HG2 VAL 64 -4.651 0.441 0.913 677 QG1 VAL 64 QG1 VAL 64 -7.333 -0.178 1.690 678 QG2 VAL 64 QG2 VAL 64 -4.994 1.005 0.141 679 QQG VAL 64 QQG VAL 64 -6.163 0.413 0.916 680 H ASP 65 HN ASP 65 -6.280 -3.033 1.475 681 HA ASP 65 HA ASP 65 -7.561 -4.796 2.179 682 1HB ASP 65 2HB ASP 65 -9.277 -2.576 1.632 683 2HB ASP 65 3HB ASP 65 -10.127 -4.012 1.101 684 QB ASP 65 QB ASP 65 -9.702 -3.294 1.366 685 H GLN 66 HN GLN 66 -9.484 -4.142 -0.675 686 HA GLN 66 HA GLN 66 -8.600 -6.736 -1.813 687 1HB GLN 66 2HB GLN 66 -11.480 -5.844 -1.409 688 2HB GLN 66 3HB GLN 66 -11.009 -7.245 -2.360 689 1HG GLN 66 2HG GLN 66 -10.181 -6.943 0.545 690 2HG GLN 66 3HG GLN 66 -11.701 -7.692 0.078 691 1HE2 GLN 66 2HE2 GLN 66 -8.229 -9.727 -0.476 692 2HE2 GLN 66 1HE2 GLN 66 -8.197 -8.108 0.033 693 QB GLN 66 QB GLN 66 -11.245 -6.545 -1.885 694 QG GLN 66 QG GLN 66 -10.941 -7.317 0.312 695 QE2 GLN 66 QE2 GLN 66 -8.213 -8.917 -0.222 696 H GLN 67 HN GLN 67 -9.031 -3.489 -2.361 697 HA GLN 67 HA GLN 67 -9.586 -3.918 -5.248 698 1HB GLN 67 2HB GLN 67 -9.893 -1.158 -4.505 699 2HB GLN 67 3HB GLN 67 -11.099 -2.277 -5.092 700 1HG GLN 67 2HG GLN 67 -10.345 -2.219 -2.168 701 2HG GLN 67 3HG GLN 67 -11.578 -1.163 -2.834 702 1HE2 GLN 67 2HE2 GLN 67 -12.679 -4.981 -3.609 703 2HE2 GLN 67 1HE2 GLN 67 -11.239 -4.362 -4.257 704 QB GLN 67 QB GLN 67 -10.496 -1.717 -4.798 705 QG GLN 67 QG GLN 67 -10.962 -1.691 -2.501 706 QE2 GLN 67 QE2 GLN 67 -11.959 -4.671 -3.933 707 H HIS 68 HN HIS 68 -8.769 -1.964 -6.499 708 HA HIS 68 HA HIS 68 -5.835 -1.734 -5.997 709 1HB HIS 68 2HB HIS 68 -5.988 -2.299 -8.206 710 2HB HIS 68 3HB HIS 68 -7.619 -1.708 -8.361 711 HD1 HIS 68 HD1 HIS 68 -7.802 0.283 -9.642 712 HD2 HIS 68 HD2 HIS 68 -4.039 0.082 -8.017 713 HE1 HIS 68 HE1 HIS 68 -6.672 2.449 -10.222 714 QB HIS 68 QB HIS 68 -6.804 -2.003 -8.283 715 H ILE 69 HN ILE 69 -4.935 0.406 -5.802 716 HA ILE 69 HA ILE 69 -7.011 2.543 -5.447 717 HB ILE 69 HB ILE 69 -4.333 2.264 -4.043 718 1HG1 ILE 69 2HG1 ILE 69 -5.846 0.539 -3.226 719 2HG1 ILE 69 3HG1 ILE 69 -5.762 1.822 -2.035 720 1HG2 ILE 69 1HG2 ILE 69 -6.638 4.194 -3.628 721 2HG2 ILE 69 2HG2 ILE 69 -5.216 4.082 -2.602 722 3HG2 ILE 69 3HG2 ILE 69 -5.056 4.603 -4.274 723 1HD1 ILE 69 3HD1 ILE 69 -8.006 1.523 -4.052 724 2HD1 ILE 69 1HD1 ILE 69 -8.097 1.069 -2.364 725 3HD1 ILE 69 2HD1 ILE 69 -7.893 2.755 -2.805 726 QG1 ILE 69 QG1 ILE 69 -5.804 1.181 -2.631 727 QG2 ILE 69 QG2 ILE 69 -5.636 4.293 -3.501 728 QD1 ILE 69 QD1 ILE 69 -7.999 1.783 -3.074 729 H GLY 70 HN GLY 70 -3.642 1.993 -6.414 730 1HA GLY 70 1HA GLY 70 -3.434 3.185 -8.797 731 2HA GLY 70 2HA GLY 70 -3.667 4.616 -7.809 732 QA GLY 70 QA GLY 70 -3.550 3.901 -8.303 733 H GLY 71 HN GLY 71 -1.554 5.402 -8.371 734 1HA GLY 71 1HA GLY 71 0.773 3.694 -7.715 735 2HA GLY 71 2HA GLY 71 0.847 5.315 -8.381 736 QA GLY 71 QA GLY 71 0.810 4.505 -8.048 737 OH TYR 72 OH TYR 72 5.808 9.231 -0.204 738 H TYR 72 HN TYR 72 2.637 5.298 -6.694 739 HA TYR 72 HA TYR 72 2.212 5.296 -3.924 740 1HB TYR 72 2HB TYR 72 4.448 5.466 -4.815 741 2HB TYR 72 3HB TYR 72 4.076 6.976 -5.634 742 HD1 TYR 72 HD2 TYR 72 3.087 6.159 -2.119 743 HD2 TYR 72 HD1 TYR 72 5.751 8.338 -4.625 744 HE1 TYR 72 HE2 TYR 72 3.921 7.389 -0.175 745 HE2 TYR 72 HE1 TYR 72 6.598 9.544 -2.675 746 HH TYR 72 HH TYR 72 5.263 10.018 -0.098 747 QB TYR 72 QB TYR 72 4.262 6.221 -5.225 748 QR TYR 72 QR TYR 72 4.839 7.857 -2.398 749 H THR 73 HN THR 73 1.792 8.013 -6.185 750 HA THR 73 HA THR 73 0.961 9.890 -4.195 751 HB THR 73 HB THR 73 -0.138 10.999 -6.344 752 HG1 THR 73 1HG THR 73 -0.192 9.470 -7.827 753 1HG2 THR 73 1HG2 THR 73 2.834 10.241 -6.403 754 2HG2 THR 73 2HG2 THR 73 2.100 11.611 -7.231 755 3HG2 THR 73 3HG2 THR 73 2.191 11.589 -5.472 756 QG2 THR 73 QG2 THR 73 2.375 11.147 -6.369 757 H ASP 74 HN ASP 74 -0.870 7.584 -6.225 758 HA ASP 74 HA ASP 74 -3.463 8.480 -5.342 759 1HB ASP 74 2HB ASP 74 -2.476 5.838 -6.394 760 2HB ASP 74 3HB ASP 74 -4.146 6.046 -5.880 761 QB ASP 74 QB ASP 74 -3.311 5.942 -6.137 762 H PHE 75 HN PHE 75 -1.367 5.848 -4.153 763 HA PHE 75 HA PHE 75 -3.137 5.124 -2.025 764 1HB PHE 75 2HB PHE 75 -1.143 3.762 -2.725 765 2HB PHE 75 3HB PHE 75 -0.104 4.962 -1.976 766 HD1 PHE 75 2HD PHE 75 -3.399 3.670 -0.679 767 HD2 PHE 75 1HD PHE 75 0.831 3.789 -0.152 768 HE1 PHE 75 2HE PHE 75 -3.624 2.478 1.450 769 HE2 PHE 75 1HE PHE 75 0.602 2.569 1.961 770 HZ PHE 75 HZ PHE 75 -1.628 1.881 2.746 771 QB PHE 75 QB PHE 75 -0.624 4.362 -2.351 772 QR PHE 75 QR PHE 75 -1.398 3.126 0.645 773 H ALA 76 HN ALA 76 -0.317 7.311 -2.044 774 HA ALA 76 HA ALA 76 -0.456 8.195 0.609 775 1HB ALA 76 1HB ALA 76 1.329 8.854 -0.951 776 2HB ALA 76 2HB ALA 76 0.191 9.843 -1.857 777 3HB ALA 76 3HB ALA 76 0.615 10.277 -0.207 778 QB ALA 76 QB ALA 76 0.712 9.658 -1.005 779 H ALA 77 HN ALA 77 -2.153 9.667 -2.182 780 HA ALA 77 HA ALA 77 -3.600 11.546 -0.537 781 1HB ALA 77 1HB ALA 77 -4.250 10.497 -3.325 782 2HB ALA 77 2HB ALA 77 -4.989 11.907 -2.570 783 3HB ALA 77 3HB ALA 77 -3.274 11.918 -2.966 784 QB ALA 77 QB ALA 77 -4.171 11.440 -2.953 785 CH2 TRP 78 CH2 TRP 78 -8.232 3.266 2.026 786 H TRP 78 HN TRP 78 -4.659 8.564 -2.192 787 HA TRP 78 HA TRP 78 -7.255 8.311 -1.287 788 1HB TRP 78 2HB TRP 78 -6.086 6.615 -2.674 789 2HB TRP 78 3HB TRP 78 -5.191 6.094 -1.270 790 HD1 TRP 78 HD1 TRP 78 -8.704 5.896 -2.828 791 HE1 TRP 78 HE1 TRP 78 -10.179 4.393 -1.476 792 HE3 TRP 78 HE3 TRP 78 -5.515 4.955 0.895 793 HZ2 TRP 78 HZ2 TRP 78 -10.090 3.059 1.012 794 HZ3 TRP 78 HZ3 TRP 78 -6.286 3.614 2.825 795 HH2 TRP 78 HH2 TRP 78 -8.544 2.671 2.871 796 QB TRP 78 QB TRP 78 -5.638 6.354 -1.972 797 H VAL 79 HN VAL 79 -4.304 7.424 0.453 798 HA VAL 79 HA VAL 79 -5.529 6.703 2.929 799 HB VAL 79 HB VAL 79 -2.777 7.795 2.213 800 1HG1 VAL 79 2HG1 VAL 79 -3.722 6.791 4.920 801 2HG1 VAL 79 3HG1 VAL 79 -2.045 7.101 4.495 802 3HG1 VAL 79 1HG1 VAL 79 -3.199 8.426 4.554 803 1HG2 VAL 79 2HG2 VAL 79 -3.745 5.039 3.051 804 2HG2 VAL 79 3HG2 VAL 79 -3.314 5.520 1.418 805 3HG2 VAL 79 1HG2 VAL 79 -2.080 5.459 2.667 806 QG1 VAL 79 QG1 VAL 79 -2.989 7.439 4.657 807 QG2 VAL 79 QG2 VAL 79 -3.046 5.339 2.379 808 QQG VAL 79 QQG VAL 79 -3.018 6.389 3.518 809 H LYS 80 HN LYS 80 -3.918 9.731 1.945 810 HA LYS 80 HA LYS 80 -5.079 11.226 4.144 811 1HB LYS 80 2HB LYS 80 -2.864 11.654 2.834 812 2HB LYS 80 3HB LYS 80 -3.886 12.384 1.607 813 1HG LYS 80 2HG LYS 80 -4.655 13.355 4.225 814 2HG LYS 80 3HG LYS 80 -2.931 13.586 3.992 815 1HD LYS 80 2HD LYS 80 -3.221 15.099 2.259 816 2HD LYS 80 3HD LYS 80 -4.709 14.348 1.700 817 1HE LYS 80 2HE LYS 80 -4.477 15.940 4.278 818 2HE LYS 80 3HE LYS 80 -5.065 16.603 2.756 819 1HZ LYS 80 2HZ LYS 80 -6.469 14.239 3.200 820 2HZ LYS 80 3HZ LYS 80 -6.496 15.060 4.663 821 3HZ LYS 80 1HZ LYS 80 -7.089 15.795 3.268 822 QB LYS 80 QB LYS 80 -3.375 12.019 2.220 823 QG LYS 80 QG LYS 80 -3.793 13.471 4.108 824 QD LYS 80 QD LYS 80 -3.965 14.723 1.979 825 QE LYS 80 QE LYS 80 -4.771 16.272 3.517 826 QZ LYS 80 QZ LYS 80 -6.685 15.031 3.711 827 H GLU 81 HN GLU 81 -6.975 9.875 2.299 828 HA GLU 81 HA GLU 81 -8.624 12.219 1.567 829 1HB GLU 81 2HB GLU 81 -7.648 11.132 -0.427 830 2HB GLU 81 3HB GLU 81 -8.217 9.572 0.120 831 1HG GLU 81 2HG GLU 81 -10.588 10.616 0.021 832 2HG GLU 81 3HG GLU 81 -9.803 11.878 -0.912 833 QB GLU 81 QB GLU 81 -7.933 10.352 -0.154 834 QG GLU 81 QG GLU 81 -10.195 11.247 -0.445 835 H ASN 82 HN ASN 82 -8.727 8.712 2.011 836 HA ASN 82 HA ASN 82 -11.442 8.963 3.202 837 1HB ASN 82 2HB ASN 82 -9.885 6.596 2.121 838 2HB ASN 82 3HB ASN 82 -11.404 6.414 2.994 839 1HD2 ASN 82 2HD2 ASN 82 -11.427 7.863 -0.814 840 2HD2 ASN 82 1HD2 ASN 82 -9.974 7.487 -0.018 841 QB ASN 82 QB ASN 82 -10.644 6.505 2.557 842 QD2 ASN 82 QD2 ASN 82 -10.701 7.675 -0.416 843 H LEU 83 HN LEU 83 -8.205 8.616 4.189 844 HA LEU 83 HA LEU 83 -9.128 7.476 6.810 845 1HB LEU 83 2HB LEU 83 -6.261 7.761 5.840 846 2HB LEU 83 3HB LEU 83 -6.786 6.976 7.313 847 HG LEU 83 HG LEU 83 -7.294 6.051 4.466 848 1HD1 LEU 83 3HD1 LEU 83 -5.877 4.784 6.837 849 2HD1 LEU 83 1HD1 LEU 83 -6.077 4.042 5.253 850 3HD1 LEU 83 2HD1 LEU 83 -5.093 5.485 5.428 851 1HD2 LEU 83 1HD2 LEU 83 -8.391 4.887 7.056 852 2HD2 LEU 83 2HD2 LEU 83 -9.345 5.674 5.803 853 3HD2 LEU 83 3HD2 LEU 83 -8.538 4.153 5.463 854 QB LEU 83 QB LEU 83 -6.524 7.369 6.576 855 QD1 LEU 83 QD1 LEU 83 -5.682 4.770 5.839 856 QD2 LEU 83 QD2 LEU 83 -8.758 4.904 6.107 857 QQD LEU 83 QQD LEU 83 -7.220 4.837 5.973 858 H ASP 84 HN ASP 84 -7.452 10.155 5.280 859 HA ASP 84 HA ASP 84 -7.955 11.724 7.772 860 1HB ASP 84 2HB ASP 84 -5.306 11.654 6.291 861 2HB ASP 84 3HB ASP 84 -5.684 12.685 7.671 862 QB ASP 84 QB ASP 84 -5.495 12.169 6.981 863 H ALA 85 HN ALA 85 -9.649 12.006 5.994 864 HA ALA 85 HA ALA 85 -10.347 13.168 3.956 865 1HB ALA 85 3HB ALA 85 -11.573 13.799 5.984 866 2HB ALA 85 1HB ALA 85 -10.352 15.011 6.365 867 3HB ALA 85 2HB ALA 85 -11.370 15.207 4.943 868 QB ALA 85 QB ALA 85 -11.098 14.672 5.764 Start of MODEL 10 Raw file had 868 H/Q atoms Start of MODEL 10 1 H MET 1 HN MET 1 -8.279 -2.830 8.289 2 HA MET 1 HA MET 1 -9.778 -3.480 6.001 3 1HB MET 1 2HB MET 1 -8.374 -0.788 5.922 4 2HB MET 1 3HB MET 1 -8.794 -1.687 4.469 5 1HG MET 1 2HG MET 1 -11.173 -1.717 5.245 6 2HG MET 1 3HG MET 1 -10.719 -0.695 6.588 7 1HE MET 1 2HE MET 1 -10.568 1.521 6.710 8 2HE MET 1 3HE MET 1 -9.158 1.816 5.687 9 3HE MET 1 1HE MET 1 -10.643 2.735 5.436 10 QB MET 1 QB MET 1 -8.584 -1.237 5.195 11 QG MET 1 QG MET 1 -10.946 -1.206 5.917 12 QE MET 1 QE MET 1 -10.123 2.024 5.944 13 H GLN 2 HN GLN 2 -8.033 -3.679 4.069 14 HA GLN 2 HA GLN 2 -5.448 -4.458 5.269 15 1HB GLN 2 2HB GLN 2 -6.775 -5.979 3.013 16 2HB GLN 2 3HB GLN 2 -5.424 -6.481 4.013 17 1HG GLN 2 2HG GLN 2 -7.060 -6.359 6.006 18 2HG GLN 2 3HG GLN 2 -8.336 -6.293 4.791 19 1HE2 GLN 2 2HE2 GLN 2 -7.950 -9.681 3.836 20 2HE2 GLN 2 1HE2 GLN 2 -8.648 -8.190 3.431 21 QB GLN 2 QB GLN 2 -6.099 -6.230 3.513 22 QG GLN 2 QG GLN 2 -7.698 -6.326 5.399 23 QE2 GLN 2 QE2 GLN 2 -8.299 -8.936 3.634 24 H THR 3 HN THR 3 -3.657 -4.474 3.742 25 HA THR 3 HA THR 3 -4.144 -2.971 1.211 26 HB THR 3 HB THR 3 -2.230 -2.095 3.420 27 HG1 THR 3 1HG THR 3 -3.883 -0.842 3.793 28 1HG2 THR 3 2HG2 THR 3 -2.686 -0.924 0.630 29 2HG2 THR 3 3HG2 THR 3 -1.662 -0.230 1.879 30 3HG2 THR 3 1HG2 THR 3 -1.217 -1.753 1.120 31 QG2 THR 3 QG2 THR 3 -1.855 -0.969 1.210 32 H VAL 4 HN VAL 4 -2.762 -3.403 -0.441 33 HA VAL 4 HA VAL 4 -0.384 -5.212 0.009 34 HB VAL 4 HB VAL 4 -2.394 -5.535 -2.252 35 1HG1 VAL 4 2HG1 VAL 4 -0.073 -6.355 -2.653 36 2HG1 VAL 4 3HG1 VAL 4 -0.160 -7.311 -1.178 37 3HG1 VAL 4 1HG1 VAL 4 -1.209 -7.693 -2.539 38 1HG2 VAL 4 1HG2 VAL 4 -2.141 -7.159 0.312 39 2HG2 VAL 4 2HG2 VAL 4 -3.490 -6.103 -0.095 40 3HG2 VAL 4 3HG2 VAL 4 -3.190 -7.552 -1.048 41 QG1 VAL 4 QG1 VAL 4 -0.481 -7.120 -2.123 42 QG2 VAL 4 QG2 VAL 4 -2.940 -6.938 -0.277 43 QQG VAL 4 QQG VAL 4 -1.710 -7.029 -1.200 44 H ILE 5 HN ILE 5 1.306 -4.631 -1.192 45 HA ILE 5 HA ILE 5 0.910 -2.405 -3.154 46 HB ILE 5 HB ILE 5 3.196 -2.855 -1.189 47 1HG1 ILE 5 2HG1 ILE 5 2.382 -0.425 -0.519 48 2HG1 ILE 5 3HG1 ILE 5 0.879 -0.930 -1.265 49 1HG2 ILE 5 2HG2 ILE 5 2.785 -0.730 -3.315 50 2HG2 ILE 5 3HG2 ILE 5 4.043 -0.674 -2.084 51 3HG2 ILE 5 1HG2 ILE 5 4.047 -1.956 -3.291 52 1HD1 ILE 5 3HD1 ILE 5 2.284 -2.404 0.983 53 2HD1 ILE 5 1HD1 ILE 5 0.886 -1.359 1.180 54 3HD1 ILE 5 2HD1 ILE 5 0.746 -2.857 0.279 55 QG1 ILE 5 QG1 ILE 5 1.630 -0.677 -0.892 56 QG2 ILE 5 QG2 ILE 5 3.625 -1.120 -2.897 57 QD1 ILE 5 QD1 ILE 5 1.305 -2.207 0.814 58 H PHE 6 HN PHE 6 1.707 -2.846 -5.133 59 HA PHE 6 HA PHE 6 3.245 -5.368 -5.500 60 1HB PHE 6 2HB PHE 6 1.622 -3.649 -7.404 61 2HB PHE 6 3HB PHE 6 2.713 -4.896 -7.983 62 HD1 PHE 6 1HD PHE 6 2.217 -7.263 -7.606 63 HD2 PHE 6 2HD PHE 6 -0.433 -4.249 -6.175 64 HE1 PHE 6 1HE PHE 6 0.470 -8.945 -7.277 65 HE2 PHE 6 2HE PHE 6 -2.186 -5.938 -5.866 66 HZ PHE 6 HZ PHE 6 -1.730 -8.296 -6.409 67 QB PHE 6 QB PHE 6 2.167 -4.272 -7.693 68 QR PHE 6 QR PHE 6 0.017 -6.599 -6.731 69 H GLY 7 HN GLY 7 4.838 -3.808 -4.391 70 1HA GLY 7 1HA GLY 7 6.248 -2.158 -6.451 71 2HA GLY 7 2HA GLY 7 6.445 -1.972 -4.704 72 QA GLY 7 QA GLY 7 6.346 -2.065 -5.577 73 NH1 ARG 8 NH2 ARG 8 11.308 -1.376 -8.700 74 NH2 ARG 8 NH1 ARG 8 12.679 -2.385 -10.208 75 H ARG 8 HN ARG 8 8.725 -2.241 -5.074 76 HA ARG 8 HA ARG 8 9.486 -5.126 -5.361 77 1HB ARG 8 2HB ARG 8 10.071 -3.594 -7.359 78 2HB ARG 8 3HB ARG 8 11.176 -2.779 -6.260 79 1HG ARG 8 2HG ARG 8 12.459 -4.816 -5.925 80 2HG ARG 8 3HG ARG 8 11.278 -5.758 -6.835 81 1HD ARG 8 2HD ARG 8 13.418 -4.964 -8.091 82 2HD ARG 8 3HD ARG 8 11.866 -4.712 -8.895 83 HE ARG 8 HE ARG 8 13.263 -2.545 -7.330 84 1HH1 ARG 8 2HH2 ARG 8 10.978 -1.298 -7.754 85 2HH1 ARG 8 1HH2 ARG 8 10.911 -0.798 -9.403 86 1HH2 ARG 8 2HH1 ARG 8 13.379 -3.075 -10.387 87 2HH2 ARG 8 1HH1 ARG 8 12.334 -1.820 -10.959 88 QB ARG 8 QB ARG 8 10.623 -3.187 -6.809 89 QG ARG 8 QG ARG 8 11.868 -5.287 -6.380 90 QD ARG 8 QD ARG 8 12.642 -4.838 -8.493 91 QH1 ARG 8 QH2 ARG 8 10.945 -1.048 -8.578 92 QH2 ARG 8 QH1 ARG 8 12.857 -2.448 -10.673 93 H SER 9 HN SER 9 11.658 -5.489 -4.256 94 HA SER 9 HA SER 9 11.585 -4.717 -1.574 95 1HB SER 9 2HB SER 9 14.159 -5.274 -1.696 96 2HB SER 9 3HB SER 9 13.011 -6.561 -2.104 97 HG SER 9 HG SER 9 14.827 -5.941 -3.662 98 QB SER 9 QB SER 9 13.585 -5.917 -1.900 99 H GLY 10 HN GLY 10 13.538 -3.345 -4.189 100 1HA GLY 10 1HA GLY 10 13.344 -0.697 -2.866 101 2HA GLY 10 2HA GLY 10 14.960 -1.343 -3.121 102 QA GLY 10 QA GLY 10 14.152 -1.020 -2.993 103 H CYS 11 HN CYS 11 14.251 1.016 -4.205 104 HA CYS 11 HA CYS 11 15.159 1.016 -6.808 105 1HB CYS 11 2HB CYS 11 13.346 1.183 -8.288 106 2HB CYS 11 3HB CYS 11 12.993 -0.219 -7.339 107 QB CYS 11 QB CYS 11 13.169 0.482 -7.814 108 HA PRO 12 HA PRO 12 14.524 2.561 -3.047 109 1HB PRO 12 2HB PRO 12 14.534 5.523 -3.288 110 2HB PRO 12 3HB PRO 12 15.414 4.475 -2.172 111 1HG PRO 12 2HG PRO 12 16.432 5.678 -4.588 112 2HG PRO 12 3HG PRO 12 17.278 4.563 -3.510 113 1HD PRO 12 2HD PRO 12 16.459 3.986 -6.158 114 2HD PRO 12 3HD PRO 12 16.954 2.785 -4.943 115 QB PRO 12 QB PRO 12 14.974 4.999 -2.730 116 QG PRO 12 QG PRO 12 16.855 5.120 -4.049 117 QD PRO 12 QD PRO 12 16.706 3.386 -5.551 118 OH TYR 13 OH TYR 13 6.762 9.372 -6.645 119 H TYR 13 HN TYR 13 13.061 4.909 -5.216 120 HA TYR 13 HA TYR 13 10.763 5.794 -4.158 121 1HB TYR 13 2HB TYR 13 11.633 5.635 -6.681 122 2HB TYR 13 3HB TYR 13 10.379 4.406 -6.782 123 HD1 TYR 13 HD1 TYR 13 8.052 5.167 -5.598 124 HD2 TYR 13 HD2 TYR 13 11.003 7.841 -7.111 125 HE1 TYR 13 HE1 TYR 13 6.372 6.946 -5.747 126 HE2 TYR 13 HE2 TYR 13 9.319 9.608 -7.264 127 HH TYR 13 HH TYR 13 7.081 10.028 -7.271 128 QB TYR 13 QB TYR 13 11.006 5.021 -6.732 129 QR TYR 13 QR TYR 13 8.687 7.391 -6.430 130 H CYS 14 HN CYS 14 11.078 2.397 -5.141 131 HA CYS 14 HA CYS 14 8.395 1.588 -4.840 132 1HB CYS 14 2HB CYS 14 10.939 0.108 -4.168 133 2HB CYS 14 3HB CYS 14 9.376 -0.647 -4.307 134 QB CYS 14 QB CYS 14 10.158 -0.269 -4.237 135 H VAL 15 HN VAL 15 10.879 1.839 -2.360 136 HA VAL 15 HA VAL 15 9.424 0.655 -0.225 137 HB VAL 15 HB VAL 15 11.609 2.763 -0.199 138 1HG1 VAL 15 3HG1 VAL 15 10.324 2.698 1.946 139 2HG1 VAL 15 1HG1 VAL 15 10.585 0.961 2.037 140 3HG1 VAL 15 2HG1 VAL 15 11.952 2.064 2.153 141 1HG2 VAL 15 1HG2 VAL 15 11.645 -0.267 0.112 142 2HG2 VAL 15 2HG2 VAL 15 12.224 0.628 -1.287 143 3HG2 VAL 15 3HG2 VAL 15 13.049 0.785 0.262 144 QG1 VAL 15 QG1 VAL 15 10.954 1.908 2.045 145 QG2 VAL 15 QG2 VAL 15 12.306 0.382 -0.304 146 QQG VAL 15 QQG VAL 15 11.630 1.145 0.871 147 NH1 ARG 16 NH1 ARG 16 6.791 9.176 1.261 148 NH2 ARG 16 NH2 ARG 16 6.018 7.113 1.675 149 H ARG 16 HN ARG 16 9.429 3.914 -1.533 150 HA ARG 16 HA ARG 16 8.216 5.278 0.580 151 1HB ARG 16 2HB ARG 16 8.018 5.687 -2.380 152 2HB ARG 16 3HB ARG 16 7.124 6.720 -1.268 153 1HG ARG 16 2HG ARG 16 10.043 6.204 -0.723 154 2HG ARG 16 3HG ARG 16 9.619 7.344 -1.990 155 1HD ARG 16 2HD ARG 16 9.948 8.319 0.378 156 2HD ARG 16 3HD ARG 16 8.488 8.792 -0.479 157 HE ARG 16 HE ARG 16 8.514 6.687 1.700 158 1HH1 ARG 16 2HH1 ARG 16 7.562 9.784 1.097 159 2HH1 ARG 16 1HH1 ARG 16 5.864 9.547 1.347 160 1HH2 ARG 16 2HH2 ARG 16 6.196 6.124 1.812 161 2HH2 ARG 16 1HH2 ARG 16 5.092 7.473 1.804 162 QB ARG 16 QB ARG 16 7.571 6.204 -1.824 163 QG ARG 16 QG ARG 16 9.831 6.774 -1.356 164 QD ARG 16 QD ARG 16 9.218 8.555 -0.050 165 QH1 ARG 16 QH1 ARG 16 6.713 9.666 1.222 166 QH2 ARG 16 QH2 ARG 16 5.644 6.799 1.808 167 H ALA 17 HN ALA 17 6.558 3.583 -2.024 168 HA ALA 17 HA ALA 17 3.888 4.078 -1.122 169 1HB ALA 17 3HB ALA 17 5.003 1.638 -2.558 170 2HB ALA 17 1HB ALA 17 3.296 2.052 -2.439 171 3HB ALA 17 2HB ALA 17 4.393 3.097 -3.332 172 QB ALA 17 QB ALA 17 4.231 2.262 -2.777 173 H LYS 18 HN LYS 18 6.180 1.539 -0.373 174 HA LYS 18 HA LYS 18 4.548 -0.086 1.259 175 1HB LYS 18 2HB LYS 18 6.665 -0.736 0.227 176 2HB LYS 18 3HB LYS 18 7.521 0.442 1.197 177 1HG LYS 18 2HG LYS 18 6.434 -0.870 3.216 178 2HG LYS 18 3HG LYS 18 6.322 -2.164 2.027 179 1HD LYS 18 2HD LYS 18 8.693 -1.941 1.503 180 2HD LYS 18 3HD LYS 18 8.848 -0.588 2.623 181 1HE LYS 18 2HE LYS 18 8.065 -3.431 3.374 182 2HE LYS 18 3HE LYS 18 9.589 -2.633 3.765 183 1HZ LYS 18 3HZ LYS 18 7.648 -0.892 4.643 184 2HZ LYS 18 1HZ LYS 18 7.051 -2.428 5.073 185 3HZ LYS 18 2HZ LYS 18 8.578 -1.923 5.625 186 QB LYS 18 QB LYS 18 7.093 -0.147 0.712 187 QG LYS 18 QG LYS 18 6.378 -1.517 2.621 188 QD LYS 18 QD LYS 18 8.770 -1.265 2.063 189 QE LYS 18 QE LYS 18 8.827 -3.032 3.570 190 QZ LYS 18 QZ LYS 18 7.759 -1.747 5.114 191 H ASP 19 HN ASP 19 6.950 2.397 2.309 192 HA ASP 19 HA ASP 19 6.534 1.962 5.060 193 1HB ASP 19 2HB ASP 19 7.540 4.101 5.451 194 2HB ASP 19 3HB ASP 19 8.358 3.355 4.105 195 QB ASP 19 QB ASP 19 7.949 3.728 4.778 196 H LEU 20 HN LEU 20 4.594 3.914 2.827 197 HA LEU 20 HA LEU 20 3.004 5.189 4.815 198 1HB LEU 20 2HB LEU 20 2.873 5.702 2.387 199 2HB LEU 20 3HB LEU 20 2.054 4.181 2.109 200 HG LEU 20 HG LEU 20 0.152 4.917 3.508 201 1HD1 LEU 20 2HD1 LEU 20 1.763 7.481 3.840 202 2HD1 LEU 20 3HD1 LEU 20 0.080 7.283 4.322 203 3HD1 LEU 20 1HD1 LEU 20 1.336 6.351 5.123 204 1HD2 LEU 20 1HD2 LEU 20 1.005 6.973 1.434 205 2HD2 LEU 20 2HD2 LEU 20 0.103 5.496 1.119 206 3HD2 LEU 20 3HD2 LEU 20 -0.634 6.790 2.052 207 QB LEU 20 QB LEU 20 2.464 4.941 2.248 208 QD1 LEU 20 QD1 LEU 20 1.060 7.038 4.428 209 QD2 LEU 20 QD2 LEU 20 0.158 6.420 1.535 210 QQD LEU 20 QQD LEU 20 0.609 6.729 2.982 211 H ALA 21 HN ALA 21 2.630 1.983 3.366 212 HA ALA 21 HA ALA 21 0.257 1.335 4.925 213 1HB ALA 21 2HB ALA 21 2.124 -0.468 3.339 214 2HB ALA 21 3HB ALA 21 0.559 -0.952 3.984 215 3HB ALA 21 1HB ALA 21 0.651 0.278 2.730 216 QB ALA 21 QB ALA 21 1.112 -0.381 3.351 217 H GLU 22 HN GLU 22 3.675 0.324 5.090 218 HA GLU 22 HA GLU 22 3.390 -1.372 7.384 219 1HB GLU 22 2HB GLU 22 5.424 -1.191 5.884 220 2HB GLU 22 3HB GLU 22 5.793 0.344 6.647 221 1HG GLU 22 2HG GLU 22 6.270 -0.648 8.721 222 2HG GLU 22 3HG GLU 22 5.382 -2.122 8.345 223 QB GLU 22 QB GLU 22 5.609 -0.424 6.265 224 QG GLU 22 QG GLU 22 5.826 -1.385 8.533 225 H LYS 23 HN LYS 23 4.000 2.037 6.975 226 HA LYS 23 HA LYS 23 4.268 2.733 9.739 227 1HB LYS 23 2HB LYS 23 4.916 4.109 7.772 228 2HB LYS 23 3HB LYS 23 3.218 4.403 7.420 229 1HG LYS 23 2HG LYS 23 3.053 5.442 9.733 230 2HG LYS 23 3HG LYS 23 4.797 5.278 9.861 231 1HD LYS 23 2HD LYS 23 3.350 6.779 7.641 232 2HD LYS 23 3HD LYS 23 4.088 7.541 9.036 233 1HE LYS 23 2HE LYS 23 5.689 7.737 7.267 234 2HE LYS 23 3HE LYS 23 6.295 6.475 8.327 235 1HZ LYS 23 1HZ LYS 23 4.675 5.264 6.388 236 2HZ LYS 23 2HZ LYS 23 5.741 6.305 5.566 237 3HZ LYS 23 3HZ LYS 23 6.341 5.102 6.591 238 QB LYS 23 QB LYS 23 4.067 4.256 7.596 239 QG LYS 23 QG LYS 23 3.925 5.360 9.797 240 QD LYS 23 QD LYS 23 3.719 7.160 8.339 241 QE LYS 23 QE LYS 23 5.992 7.106 7.797 242 QZ LYS 23 QZ LYS 23 5.586 5.557 6.182 243 H LEU 24 HN LEU 24 1.462 3.052 7.496 244 HA LEU 24 HA LEU 24 -0.519 3.736 9.326 245 1HB LEU 24 2HB LEU 24 -0.621 1.920 6.921 246 2HB LEU 24 3HB LEU 24 -2.063 2.264 7.863 247 HG LEU 24 HG LEU 24 -0.295 4.513 6.874 248 1HD1 LEU 24 1HD1 LEU 24 -2.635 3.214 5.426 249 2HD1 LEU 24 2HD1 LEU 24 -1.811 4.687 4.927 250 3HD1 LEU 24 3HD1 LEU 24 -0.955 3.154 4.907 251 1HD2 LEU 24 3HD2 LEU 24 -3.240 4.289 7.598 252 2HD2 LEU 24 1HD2 LEU 24 -1.988 5.003 8.613 253 3HD2 LEU 24 2HD2 LEU 24 -2.423 5.765 7.088 254 QB LEU 24 QB LEU 24 -1.342 2.092 7.392 255 QD1 LEU 24 QD1 LEU 24 -1.800 3.685 5.087 256 QD2 LEU 24 QD2 LEU 24 -2.550 5.019 7.767 257 QQD LEU 24 QQD LEU 24 -2.175 4.352 6.427 258 H SER 25 HN SER 25 0.585 0.485 8.589 259 HA SER 25 HA SER 25 -1.064 -1.016 10.342 260 1HB SER 25 2HB SER 25 1.839 -1.608 9.616 261 2HB SER 25 3HB SER 25 0.648 -2.784 10.200 262 HG SER 25 HG SER 25 0.497 -1.209 7.834 263 QB SER 25 QB SER 25 1.243 -2.196 9.908 264 H ASN 26 HN ASN 26 1.340 1.173 11.172 265 HA ASN 26 HA ASN 26 1.667 0.003 13.902 266 1HB ASN 26 2HB ASN 26 3.689 0.369 12.315 267 2HB ASN 26 3HB ASN 26 3.453 2.086 12.609 268 1HD2 ASN 26 2HD2 ASN 26 5.242 1.878 15.631 269 2HD2 ASN 26 1HD2 ASN 26 4.736 2.827 14.315 270 QB ASN 26 QB ASN 26 3.571 1.227 12.462 271 QD2 ASN 26 QD2 ASN 26 4.989 2.353 14.973 272 H GLU 27 HN GLU 27 1.188 2.987 12.111 273 HA GLU 27 HA GLU 27 0.809 4.703 14.409 274 1HB GLU 27 2HB GLU 27 0.010 6.356 12.661 275 2HB GLU 27 3HB GLU 27 1.566 5.654 12.253 276 1HG GLU 27 2HG GLU 27 0.430 4.072 10.805 277 2HG GLU 27 3HG GLU 27 -1.124 4.760 11.204 278 QB GLU 27 QB GLU 27 0.788 6.005 12.457 279 QG GLU 27 QG GLU 27 -0.347 4.416 11.005 280 NH1 ARG 28 NH1 ARG 28 -8.566 2.505 11.875 281 NH2 ARG 28 NH2 ARG 28 -8.447 1.679 9.746 282 H ARG 28 HN ARG 28 -1.351 2.957 12.244 283 HA ARG 28 HA ARG 28 -3.675 3.940 13.859 284 1HB ARG 28 2HB ARG 28 -3.336 4.264 11.178 285 2HB ARG 28 3HB ARG 28 -4.137 2.704 11.181 286 1HG ARG 28 2HG ARG 28 -5.815 3.929 12.868 287 2HG ARG 28 3HG ARG 28 -5.166 5.374 12.117 288 1HD ARG 28 2HD ARG 28 -7.138 4.739 10.863 289 2HD ARG 28 3HD ARG 28 -5.739 4.380 9.858 290 HE ARG 28 HE ARG 28 -5.977 1.958 10.661 291 1HH1 ARG 28 2HH1 ARG 28 -8.101 2.954 12.651 292 2HH1 ARG 28 1HH1 ARG 28 -9.503 2.191 11.991 293 1HH2 ARG 28 2HH2 ARG 28 -7.880 1.483 8.947 294 2HH2 ARG 28 1HH2 ARG 28 -9.407 1.357 9.761 295 QB ARG 28 QB ARG 28 -3.736 3.484 11.180 296 QG ARG 28 QG ARG 28 -5.490 4.652 12.492 297 QD ARG 28 QD ARG 28 -6.438 4.559 10.360 298 QH1 ARG 28 QH1 ARG 28 -8.802 2.572 12.321 299 QH2 ARG 28 QH2 ARG 28 -8.643 1.420 9.354 300 H ASP 29 HN ASP 29 -5.558 2.192 13.080 301 HA ASP 29 HA ASP 29 -4.701 -0.493 13.960 302 1HB ASP 29 2HB ASP 29 -6.897 -0.554 15.160 303 2HB ASP 29 3HB ASP 29 -5.955 0.826 15.724 304 QB ASP 29 QB ASP 29 -6.426 0.136 15.442 305 H ASP 30 HN ASP 30 -7.108 -1.639 13.461 306 HA ASP 30 HA ASP 30 -8.040 -2.821 11.586 307 1HB ASP 30 2HB ASP 30 -9.745 -1.213 12.222 308 2HB ASP 30 3HB ASP 30 -8.923 0.066 11.360 309 QB ASP 30 QB ASP 30 -9.334 -0.574 11.791 310 H PHE 31 HN PHE 31 -5.349 -2.314 10.967 311 HA PHE 31 HA PHE 31 -5.571 -1.897 8.038 312 1HB PHE 31 2HB PHE 31 -4.891 0.295 9.112 313 2HB PHE 31 3HB PHE 31 -3.431 -0.501 9.675 314 HD1 PHE 31 1HD PHE 31 -1.784 -1.384 7.982 315 HD2 PHE 31 2HD PHE 31 -5.150 0.914 6.786 316 HE1 PHE 31 1HE PHE 31 -0.713 -0.932 5.823 317 HE2 PHE 31 2HE PHE 31 -4.100 1.331 4.612 318 HZ PHE 31 HZ PHE 31 -1.882 0.406 4.121 319 QB PHE 31 QB PHE 31 -4.161 -0.103 9.394 320 QR PHE 31 QR PHE 31 -2.937 -0.018 6.301 321 H GLN 32 HN GLN 32 -5.193 -4.051 7.750 322 HA GLN 32 HA GLN 32 -2.560 -5.055 8.738 323 1HB GLN 32 2HB GLN 32 -4.748 -6.758 7.522 324 2HB GLN 32 3HB GLN 32 -3.403 -7.262 8.538 325 1HG GLN 32 2HG GLN 32 -5.894 -5.709 9.356 326 2HG GLN 32 3HG GLN 32 -5.320 -7.239 10.009 327 1HE2 GLN 32 2HE2 GLN 32 -2.518 -5.354 11.659 328 2HE2 GLN 32 1HE2 GLN 32 -2.625 -6.649 10.561 329 QB GLN 32 QB GLN 32 -4.075 -7.010 8.030 330 QG GLN 32 QG GLN 32 -5.607 -6.474 9.683 331 QE2 GLN 32 QE2 GLN 32 -2.572 -6.002 11.110 332 OH TYR 33 OH TYR 33 5.422 -3.341 5.089 333 H TYR 33 HN TYR 33 -1.016 -4.983 7.322 334 HA TYR 33 HA TYR 33 -1.724 -4.986 4.428 335 1HB TYR 33 2HB TYR 33 -0.606 -3.047 4.134 336 2HB TYR 33 3HB TYR 33 -0.619 -2.897 5.881 337 HD1 TYR 33 HD1 TYR 33 1.422 -3.690 7.199 338 HD2 TYR 33 HD2 TYR 33 1.443 -3.456 2.949 339 HE1 TYR 33 HE1 TYR 33 3.869 -3.598 7.212 340 HE2 TYR 33 HE2 TYR 33 3.883 -3.338 2.973 341 HH TYR 33 HH TYR 33 5.751 -3.680 5.945 342 QB TYR 33 QB TYR 33 -0.613 -2.972 5.008 343 QR TYR 33 QR TYR 33 2.654 -3.520 5.083 344 H GLN 34 HN GLN 34 -0.303 -5.780 3.014 345 HA GLN 34 HA GLN 34 1.822 -7.604 4.057 346 1HB GLN 34 2HB GLN 34 -0.305 -8.817 3.321 347 2HB GLN 34 3HB GLN 34 -0.066 -8.146 1.715 348 1HG GLN 34 2HG GLN 34 0.826 -10.442 1.836 349 2HG GLN 34 3HG GLN 34 2.137 -9.297 1.572 350 1HE2 GLN 34 2HE2 GLN 34 1.903 -11.336 5.098 351 2HE2 GLN 34 1HE2 GLN 34 0.626 -11.411 3.985 352 QB GLN 34 QB GLN 34 -0.185 -8.481 2.518 353 QG GLN 34 QG GLN 34 1.482 -9.869 1.704 354 QE2 GLN 34 QE2 GLN 34 1.264 -11.373 4.542 355 OH TYR 35 OH TYR 35 7.763 -2.331 -2.322 356 H TYR 35 HN TYR 35 3.648 -7.727 2.570 357 HA TYR 35 HA TYR 35 3.571 -5.472 0.578 358 1HB TYR 35 2HB TYR 35 5.242 -5.246 2.522 359 2HB TYR 35 3HB TYR 35 6.101 -6.616 1.819 360 HD1 TYR 35 HD2 TYR 35 4.479 -3.473 0.550 361 HD2 TYR 35 HD1 TYR 35 7.908 -5.994 0.391 362 HE1 TYR 35 HE2 TYR 35 5.461 -2.034 -1.164 363 HE2 TYR 35 HE1 TYR 35 8.920 -4.491 -1.269 364 HH TYR 35 HH TYR 35 8.657 -2.629 -2.564 365 QB TYR 35 QB TYR 35 5.671 -5.931 2.170 366 QR TYR 35 QR TYR 35 6.692 -3.998 -0.373 367 H VAL 36 HN VAL 36 4.329 -5.845 -1.449 368 HA VAL 36 HA VAL 36 5.050 -8.666 -2.103 369 HB VAL 36 HB VAL 36 2.879 -6.858 -3.100 370 1HG1 VAL 36 2HG1 VAL 36 4.373 -7.063 -5.128 371 2HG1 VAL 36 3HG1 VAL 36 4.337 -8.815 -4.948 372 3HG1 VAL 36 1HG1 VAL 36 2.861 -7.936 -5.332 373 1HG2 VAL 36 3HG2 VAL 36 2.466 -8.887 -1.772 374 2HG2 VAL 36 1HG2 VAL 36 1.756 -9.026 -3.378 375 3HG2 VAL 36 2HG2 VAL 36 3.257 -9.870 -2.999 376 QG1 VAL 36 QG1 VAL 36 3.857 -7.938 -5.136 377 QG2 VAL 36 QG2 VAL 36 2.493 -9.261 -2.716 378 QQG VAL 36 QQG VAL 36 3.175 -8.600 -3.926 379 H ASP 37 HN ASP 37 6.489 -8.827 -4.011 380 HA ASP 37 HA ASP 37 8.084 -6.340 -4.450 381 1HB ASP 37 2HB ASP 37 9.327 -7.517 -2.876 382 2HB ASP 37 3HB ASP 37 8.855 -9.077 -3.502 383 QB ASP 37 QB ASP 37 9.091 -8.297 -3.189 384 H ILE 38 HN ILE 38 6.178 -7.197 -6.226 385 HA ILE 38 HA ILE 38 5.690 -8.106 -8.322 386 HB ILE 38 HB ILE 38 6.905 -6.785 -10.085 387 1HG1 ILE 38 2HG1 ILE 38 8.049 -4.915 -8.149 388 2HG1 ILE 38 3HG1 ILE 38 8.874 -6.457 -8.113 389 1HG2 ILE 38 2HG2 ILE 38 4.835 -6.043 -8.973 390 2HG2 ILE 38 3HG2 ILE 38 5.780 -5.327 -7.674 391 3HG2 ILE 38 1HG2 ILE 38 5.885 -4.672 -9.304 392 1HD1 ILE 38 2HD1 ILE 38 8.321 -4.819 -10.613 393 2HD1 ILE 38 3HD1 ILE 38 9.882 -4.958 -9.804 394 3HD1 ILE 38 1HD1 ILE 38 9.161 -6.370 -10.576 395 QG1 ILE 38 QG1 ILE 38 8.462 -5.686 -8.131 396 QG2 ILE 38 QG2 ILE 38 5.500 -5.347 -8.650 397 QD1 ILE 38 QD1 ILE 38 9.121 -5.382 -10.331 398 NH1 ARG 39 NH1 ARG 39 12.447 -10.949 -6.291 399 NH2 ARG 39 NH2 ARG 39 12.891 -8.733 -6.521 400 H ARG 39 HN ARG 39 9.241 -8.054 -8.398 401 HA ARG 39 HA ARG 39 9.492 -10.118 -10.355 402 1HB ARG 39 2HB ARG 39 11.418 -8.745 -9.785 403 2HB ARG 39 3HB ARG 39 11.311 -9.225 -8.105 404 1HG ARG 39 2HG ARG 39 11.838 -11.574 -8.744 405 2HG ARG 39 3HG ARG 39 11.916 -11.085 -10.427 406 1HD ARG 39 2HD ARG 39 14.188 -11.157 -9.682 407 2HD ARG 39 3HD ARG 39 13.774 -9.454 -9.740 408 HE ARG 39 HE ARG 39 14.907 -10.371 -7.521 409 1HH1 ARG 39 2HH1 ARG 39 12.623 -11.892 -6.560 410 2HH1 ARG 39 1HH1 ARG 39 11.764 -10.740 -5.580 411 1HH2 ARG 39 2HH2 ARG 39 13.376 -7.999 -6.984 412 2HH2 ARG 39 1HH2 ARG 39 12.227 -8.506 -5.790 413 QB ARG 39 QB ARG 39 11.365 -8.985 -8.945 414 QG ARG 39 QG ARG 39 11.877 -11.329 -9.585 415 QD ARG 39 QD ARG 39 13.981 -10.305 -9.711 416 QH1 ARG 39 QH1 ARG 39 12.193 -11.316 -6.070 417 QH2 ARG 39 QH2 ARG 39 12.802 -8.252 -6.387 418 H ALA 40 HN ALA 40 9.647 -10.215 -6.820 419 HA ALA 40 HA ALA 40 10.002 -12.902 -6.271 420 1HB ALA 40 3HB ALA 40 7.967 -11.061 -4.965 421 2HB ALA 40 1HB ALA 40 8.549 -12.566 -4.269 422 3HB ALA 40 2HB ALA 40 9.654 -11.220 -4.505 423 QB ALA 40 QB ALA 40 8.723 -11.616 -4.580 424 H GLU 41 HN GLU 41 6.960 -11.396 -7.292 425 HA GLU 41 HA GLU 41 5.470 -13.933 -7.197 426 1HB GLU 41 2HB GLU 41 4.562 -11.586 -8.857 427 2HB GLU 41 3HB GLU 41 3.596 -12.713 -7.935 428 1HG GLU 41 2HG GLU 41 4.114 -11.628 -5.866 429 2HG GLU 41 3HG GLU 41 5.378 -10.652 -6.612 430 QB GLU 41 QB GLU 41 4.079 -12.149 -8.396 431 QG GLU 41 QG GLU 41 4.746 -11.140 -6.239 432 H GLY 42 HN GLY 42 6.747 -11.755 -9.629 433 1HA GLY 42 1HA GLY 42 7.943 -12.614 -11.607 434 2HA GLY 42 2HA GLY 42 6.847 -13.999 -11.607 435 QA GLY 42 QA GLY 42 7.395 -13.306 -11.607 436 H ILE 43 HN ILE 43 6.211 -10.535 -11.232 437 HA ILE 43 HA ILE 43 4.027 -10.720 -13.206 438 HB ILE 43 HB ILE 43 4.928 -8.207 -11.771 439 1HG1 ILE 43 2HG1 ILE 43 4.711 -9.943 -10.019 440 2HG1 ILE 43 3HG1 ILE 43 3.425 -8.762 -9.902 441 1HG2 ILE 43 2HG2 ILE 43 2.256 -9.226 -12.796 442 2HG2 ILE 43 3HG2 ILE 43 2.471 -7.745 -11.880 443 3HG2 ILE 43 1HG2 ILE 43 3.211 -7.907 -13.463 444 1HD1 ILE 43 1HD1 ILE 43 3.172 -11.486 -11.230 445 2HD1 ILE 43 2HD1 ILE 43 2.535 -11.049 -9.653 446 3HD1 ILE 43 3HD1 ILE 43 1.884 -10.293 -11.097 447 QG1 ILE 43 QG1 ILE 43 4.068 -9.353 -9.960 448 QG2 ILE 43 QG2 ILE 43 2.646 -8.292 -12.713 449 QD1 ILE 43 QD1 ILE 43 2.530 -10.942 -10.660 450 H THR 44 HN THR 44 3.809 -9.292 -15.004 451 HA THR 44 HA THR 44 6.373 -8.144 -16.035 452 HB THR 44 HB THR 44 5.529 -8.844 -18.341 453 HG1 THR 44 1HG THR 44 3.324 -8.960 -17.505 454 1HG2 THR 44 2HG2 THR 44 7.092 -10.338 -16.984 455 2HG2 THR 44 3HG2 THR 44 5.670 -11.119 -16.303 456 3HG2 THR 44 1HG2 THR 44 6.003 -11.244 -18.028 457 QG2 THR 44 QG2 THR 44 6.255 -10.900 -17.105 458 H LYS 45 HN LYS 45 5.901 -6.028 -15.531 459 HA LYS 45 HA LYS 45 4.355 -4.127 -15.311 460 1HB LYS 45 2HB LYS 45 6.454 -3.800 -16.622 461 2HB LYS 45 3HB LYS 45 5.551 -4.115 -18.096 462 1HG LYS 45 2HG LYS 45 4.059 -2.178 -17.590 463 2HG LYS 45 3HG LYS 45 4.968 -1.874 -16.115 464 1HD LYS 45 2HD LYS 45 6.623 -0.805 -17.231 465 2HD LYS 45 3HD LYS 45 6.769 -2.094 -18.415 466 1HE LYS 45 2HE LYS 45 4.768 0.201 -18.453 467 2HE LYS 45 3HE LYS 45 6.110 -0.049 -19.565 468 1HZ LYS 45 3HZ LYS 45 4.506 -2.372 -19.518 469 2HZ LYS 45 1HZ LYS 45 3.505 -1.034 -19.784 470 3HZ LYS 45 2HZ LYS 45 4.811 -1.349 -20.809 471 QB LYS 45 QB LYS 45 6.002 -3.957 -17.359 472 QG LYS 45 QG LYS 45 4.514 -2.026 -16.852 473 QD LYS 45 QD LYS 45 6.696 -1.450 -17.823 474 QE LYS 45 QE LYS 45 5.439 0.076 -19.009 475 QZ LYS 45 QZ LYS 45 4.274 -1.585 -20.037 476 H GLU 46 HN GLU 46 3.828 -5.288 -18.693 477 HA GLU 46 HA GLU 46 1.474 -3.843 -19.154 478 1HB GLU 46 2HB GLU 46 1.649 -6.685 -20.134 479 2HB GLU 46 3HB GLU 46 1.052 -5.262 -20.976 480 1HG GLU 46 2HG GLU 46 3.922 -6.082 -20.483 481 2HG GLU 46 3HG GLU 46 3.144 -5.663 -21.999 482 QB GLU 46 QB GLU 46 1.350 -5.973 -20.555 483 QG GLU 46 QG GLU 46 3.533 -5.873 -21.241 484 H ASP 47 HN ASP 47 1.789 -6.966 -17.620 485 HA ASP 47 HA ASP 47 -0.968 -7.556 -17.238 486 1HB ASP 47 2HB ASP 47 0.610 -9.301 -16.941 487 2HB ASP 47 3HB ASP 47 1.592 -8.342 -15.848 488 QB ASP 47 QB ASP 47 1.101 -8.822 -16.394 489 H LEU 48 HN LEU 48 1.319 -5.662 -15.343 490 HA LEU 48 HA LEU 48 -0.401 -5.250 -13.058 491 1HB LEU 48 2HB LEU 48 2.088 -3.950 -14.144 492 2HB LEU 48 3HB LEU 48 1.183 -3.095 -12.899 493 HG LEU 48 HG LEU 48 1.756 -6.030 -12.533 494 1HD1 LEU 48 1HD1 LEU 48 3.725 -3.799 -11.932 495 2HD1 LEU 48 2HD1 LEU 48 3.888 -5.469 -11.406 496 3HD1 LEU 48 3HD1 LEU 48 3.953 -5.077 -13.118 497 1HD2 LEU 48 2HD2 LEU 48 0.283 -4.815 -10.948 498 2HD2 LEU 48 3HD2 LEU 48 1.761 -5.346 -10.157 499 3HD2 LEU 48 1HD2 LEU 48 1.578 -3.665 -10.633 500 QB LEU 48 QB LEU 48 1.635 -3.522 -13.522 501 QD1 LEU 48 QD1 LEU 48 3.855 -4.781 -12.152 502 QD2 LEU 48 QD2 LEU 48 1.207 -4.609 -10.580 503 QQD LEU 48 QQD LEU 48 2.531 -4.695 -11.366 504 H GLN 49 HN GLN 49 0.276 -3.371 -15.981 505 HA GLN 49 HA GLN 49 -1.473 -1.189 -15.561 506 1HB GLN 49 2HB GLN 49 -0.973 -2.733 -18.135 507 2HB GLN 49 3HB GLN 49 -1.868 -1.226 -18.075 508 1HG GLN 49 2HG GLN 49 0.042 0.036 -17.475 509 2HG GLN 49 3HG GLN 49 0.922 -1.375 -16.908 510 1HE2 GLN 49 2HE2 GLN 49 0.935 -2.067 -20.799 511 2HE2 GLN 49 1HE2 GLN 49 -0.371 -2.458 -19.785 512 QB GLN 49 QB GLN 49 -1.420 -1.979 -18.105 513 QG GLN 49 QG GLN 49 0.482 -0.670 -17.192 514 QE2 GLN 49 QE2 GLN 49 0.282 -2.262 -20.292 515 H GLN 50 HN GLN 50 -2.173 -4.454 -16.720 516 HA GLN 50 HA GLN 50 -5.002 -4.126 -17.075 517 1HB GLN 50 2HB GLN 50 -3.428 -6.651 -16.448 518 2HB GLN 50 3HB GLN 50 -5.100 -6.626 -16.977 519 1HG GLN 50 2HG GLN 50 -4.399 -5.485 -19.082 520 2HG GLN 50 3HG GLN 50 -2.721 -5.575 -18.561 521 1HE2 GLN 50 2HE2 GLN 50 -3.223 -9.378 -18.678 522 2HE2 GLN 50 1HE2 GLN 50 -3.090 -8.327 -17.353 523 QB GLN 50 QB GLN 50 -4.264 -6.638 -16.712 524 QG GLN 50 QG GLN 50 -3.560 -5.530 -18.822 525 QE2 GLN 50 QE2 GLN 50 -3.157 -8.853 -18.015 526 H LYS 51 HN LYS 51 -3.377 -5.864 -14.371 527 HA LYS 51 HA LYS 51 -5.757 -6.178 -12.860 528 1HB LYS 51 2HB LYS 51 -4.181 -6.362 -10.868 529 2HB LYS 51 3HB LYS 51 -4.025 -7.519 -12.152 530 1HG LYS 51 2HG LYS 51 -2.198 -5.931 -13.066 531 2HG LYS 51 3HG LYS 51 -2.270 -5.149 -11.512 532 1HD LYS 51 2HD LYS 51 -0.499 -7.010 -11.759 533 2HD LYS 51 3HD LYS 51 -1.550 -7.107 -10.354 534 1HE LYS 51 2HE LYS 51 -1.158 -9.267 -11.761 535 2HE LYS 51 3HE LYS 51 -2.793 -8.899 -11.237 536 1HZ LYS 51 2HZ LYS 51 -2.232 -7.657 -13.733 537 2HZ LYS 51 3HZ LYS 51 -1.882 -9.306 -13.819 538 3HZ LYS 51 1HZ LYS 51 -3.446 -8.790 -13.364 539 QB LYS 51 QB LYS 51 -4.103 -6.940 -11.510 540 QG LYS 51 QG LYS 51 -2.234 -5.540 -12.289 541 QD LYS 51 QD LYS 51 -1.025 -7.058 -11.057 542 QE LYS 51 QE LYS 51 -1.975 -9.083 -11.499 543 QZ LYS 51 QZ LYS 51 -2.520 -8.584 -13.639 544 H ALA 52 HN ALA 52 -3.409 -3.582 -12.838 545 HA ALA 52 HA ALA 52 -4.749 -2.226 -10.602 546 1HB ALA 52 2HB ALA 52 -2.427 -1.440 -12.396 547 2HB ALA 52 3HB ALA 52 -2.930 -0.558 -10.966 548 3HB ALA 52 1HB ALA 52 -2.292 -2.181 -10.807 549 QB ALA 52 QB ALA 52 -2.550 -1.393 -11.390 550 H GLY 53 HN GLY 53 -4.044 -1.498 -13.970 551 1HA GLY 53 1HA GLY 53 -5.718 -0.620 -15.501 552 2HA GLY 53 2HA GLY 53 -6.555 0.092 -14.123 553 QA GLY 53 QA GLY 53 -6.137 -0.264 -14.812 554 H LYS 54 HN LYS 54 -4.730 1.400 -12.788 555 HA LYS 54 HA LYS 54 -3.315 3.180 -14.705 556 1HB LYS 54 2HB LYS 54 -4.259 5.199 -13.497 557 2HB LYS 54 3HB LYS 54 -5.400 4.317 -14.502 558 1HG LYS 54 2HG LYS 54 -6.471 3.323 -12.638 559 2HG LYS 54 3HG LYS 54 -5.144 3.697 -11.549 560 1HD LYS 54 2HD LYS 54 -5.861 6.206 -12.534 561 2HD LYS 54 3HD LYS 54 -7.408 5.380 -12.419 562 1HE LYS 54 2HE LYS 54 -6.783 6.616 -10.328 563 2HE LYS 54 3HE LYS 54 -7.055 4.901 -10.066 564 1HZ LYS 54 1HZ LYS 54 -4.345 5.172 -10.663 565 2HZ LYS 54 2HZ LYS 54 -4.729 6.419 -9.557 566 3HZ LYS 54 3HZ LYS 54 -5.067 4.821 -9.160 567 QB LYS 54 QB LYS 54 -4.830 4.758 -14.000 568 QG LYS 54 QG LYS 54 -5.807 3.510 -12.094 569 QD LYS 54 QD LYS 54 -6.634 5.793 -12.476 570 QE LYS 54 QE LYS 54 -6.919 5.758 -10.197 571 QZ LYS 54 QZ LYS 54 -4.713 5.471 -9.793 572 HA PRO 55 HA PRO 55 -0.225 3.980 -12.221 573 1HB PRO 55 2HB PRO 55 1.500 1.962 -13.160 574 2HB PRO 55 3HB PRO 55 0.957 2.134 -11.484 575 1HG PRO 55 2HG PRO 55 0.250 0.044 -13.390 576 2HG PRO 55 3HG PRO 55 -0.231 0.173 -11.695 577 1HD PRO 55 2HD PRO 55 -1.793 0.847 -14.117 578 2HD PRO 55 3HD PRO 55 -2.367 0.643 -12.452 579 QB PRO 55 QB PRO 55 1.228 2.048 -12.322 580 QG PRO 55 QG PRO 55 0.009 0.108 -12.542 581 QD PRO 55 QD PRO 55 -2.080 0.745 -13.284 582 H VAL 56 HN VAL 56 0.901 5.266 -13.714 583 HA VAL 56 HA VAL 56 0.315 4.760 -16.600 584 HB VAL 56 HB VAL 56 1.475 7.275 -15.479 585 1HG1 VAL 56 3HG1 VAL 56 -0.240 6.671 -17.910 586 2HG1 VAL 56 1HG1 VAL 56 0.374 8.263 -17.478 587 3HG1 VAL 56 2HG1 VAL 56 1.493 6.984 -17.930 588 1HG2 VAL 56 1HG2 VAL 56 -1.467 6.563 -15.675 589 2HG2 VAL 56 2HG2 VAL 56 -0.570 6.855 -14.187 590 3HG2 VAL 56 3HG2 VAL 56 -0.845 8.170 -15.320 591 QG1 VAL 56 QG1 VAL 56 0.542 7.306 -17.773 592 QG2 VAL 56 QG2 VAL 56 -0.961 7.196 -15.060 593 QQG VAL 56 QQG VAL 56 -0.209 7.251 -16.417 594 H GLU 57 HN GLU 57 2.794 4.689 -14.311 595 HA GLU 57 HA GLU 57 4.850 4.605 -16.472 596 1HB GLU 57 2HB GLU 57 6.436 5.268 -14.529 597 2HB GLU 57 3HB GLU 57 5.362 6.504 -15.157 598 1HG GLU 57 2HG GLU 57 4.599 4.814 -12.740 599 2HG GLU 57 3HG GLU 57 5.466 6.337 -12.592 600 QB GLU 57 QB GLU 57 5.899 5.886 -14.843 601 QG GLU 57 QG GLU 57 5.033 5.575 -12.666 602 H THR 58 HN THR 58 5.863 3.796 -13.344 603 HA THR 58 HA THR 58 5.486 0.895 -13.834 604 HB THR 58 HB THR 58 8.207 2.222 -13.348 605 HG1 THR 58 1HG THR 58 6.705 1.779 -15.497 606 1HG2 THR 58 2HG2 THR 58 7.480 -0.686 -13.946 607 2HG2 THR 58 3HG2 THR 58 9.106 -0.047 -13.718 608 3HG2 THR 58 1HG2 THR 58 7.992 -0.123 -12.357 609 QG2 THR 58 QG2 THR 58 8.193 -0.285 -13.340 610 H VAL 59 HN VAL 59 7.061 3.185 -11.620 611 HA VAL 59 HA VAL 59 5.894 1.610 -9.378 612 HB VAL 59 HB VAL 59 8.311 3.468 -9.386 613 1HG1 VAL 59 2HG1 VAL 59 7.221 3.262 -7.174 614 2HG1 VAL 59 3HG1 VAL 59 7.328 1.506 -7.280 615 3HG1 VAL 59 1HG1 VAL 59 8.795 2.474 -7.178 616 1HG2 VAL 59 1HG2 VAL 59 8.706 1.413 -10.719 617 2HG2 VAL 59 2HG2 VAL 59 9.654 1.397 -9.233 618 3HG2 VAL 59 3HG2 VAL 59 8.186 0.428 -9.353 619 QG1 VAL 59 QG1 VAL 59 7.781 2.414 -7.211 620 QG2 VAL 59 QG2 VAL 59 8.849 1.079 -9.768 621 QQG VAL 59 QQG VAL 59 8.315 1.747 -8.490 622 HA PRO 60 HA PRO 60 5.293 1.638 -7.622 623 1HB PRO 60 2HB PRO 60 3.826 2.443 -5.389 624 2HB PRO 60 3HB PRO 60 5.586 2.445 -5.503 625 1HG PRO 60 2HG PRO 60 3.836 4.724 -5.323 626 2HG PRO 60 3HG PRO 60 5.593 4.733 -5.452 627 1HD PRO 60 2HD PRO 60 3.568 5.178 -7.597 628 2HD PRO 60 3HD PRO 60 5.270 5.673 -7.549 629 QB PRO 60 QB PRO 60 4.706 2.444 -5.446 630 QG PRO 60 QG PRO 60 4.714 4.728 -5.387 631 QD PRO 60 QD PRO 60 4.419 5.426 -7.573 632 H GLN 61 HN GLN 61 3.445 0.232 -6.782 633 HA GLN 61 HA GLN 61 0.802 0.996 -7.964 634 1HB GLN 61 2HB GLN 61 1.996 -1.792 -7.983 635 2HB GLN 61 3HB GLN 61 0.511 -1.286 -8.767 636 1HG GLN 61 2HG GLN 61 1.956 -1.201 -10.582 637 2HG GLN 61 3HG GLN 61 2.185 0.435 -9.972 638 1HE2 GLN 61 2HE2 GLN 61 5.269 -2.136 -9.897 639 2HE2 GLN 61 1HE2 GLN 61 3.781 -2.553 -10.584 640 QB GLN 61 QB GLN 61 1.253 -1.539 -8.375 641 QG GLN 61 QG GLN 61 2.070 -0.383 -10.277 642 QE2 GLN 61 QE2 GLN 61 4.525 -2.345 -10.240 643 H ILE 62 HN ILE 62 -0.699 1.019 -6.388 644 HA ILE 62 HA ILE 62 -0.412 -0.963 -4.160 645 HB ILE 62 HB ILE 62 -1.403 1.902 -3.924 646 1HG1 ILE 62 2HG1 ILE 62 0.703 1.911 -2.325 647 2HG1 ILE 62 3HG1 ILE 62 1.227 0.560 -3.317 648 1HG2 ILE 62 3HG2 ILE 62 -1.004 -0.273 -1.825 649 2HG2 ILE 62 1HG2 ILE 62 -1.359 1.414 -1.463 650 3HG2 ILE 62 2HG2 ILE 62 -2.538 0.431 -2.319 651 1HD1 ILE 62 3HD1 ILE 62 0.400 3.270 -4.394 652 2HD1 ILE 62 1HD1 ILE 62 2.066 2.755 -4.161 653 3HD1 ILE 62 2HD1 ILE 62 1.052 1.948 -5.341 654 QG1 ILE 62 QG1 ILE 62 0.965 1.235 -2.821 655 QG2 ILE 62 QG2 ILE 62 -1.634 0.524 -1.869 656 QD1 ILE 62 QD1 ILE 62 1.173 2.658 -4.632 657 H PHE 63 HN PHE 63 -2.147 -1.803 -3.319 658 HA PHE 63 HA PHE 63 -4.809 -1.356 -4.617 659 1HB PHE 63 2HB PHE 63 -3.414 -3.961 -3.908 660 2HB PHE 63 3HB PHE 63 -5.156 -3.868 -4.135 661 HD1 PHE 63 2HD PHE 63 -2.032 -2.784 -5.911 662 HD2 PHE 63 1HD PHE 63 -5.968 -4.360 -6.266 663 HE1 PHE 63 2HE PHE 63 -1.737 -2.953 -8.342 664 HE2 PHE 63 1HE PHE 63 -5.670 -4.562 -8.699 665 HZ PHE 63 HZ PHE 63 -3.573 -3.816 -9.735 666 QB PHE 63 QB PHE 63 -4.285 -3.915 -4.021 667 QR PHE 63 QR PHE 63 -3.852 -3.664 -7.304 668 H VAL 64 HN VAL 64 -6.438 -1.090 -3.125 669 HA VAL 64 HA VAL 64 -5.812 -1.891 -0.311 670 HB VAL 64 HB VAL 64 -6.995 0.801 -1.113 671 1HG1 VAL 64 2HG1 VAL 64 -6.510 -0.451 1.610 672 2HG1 VAL 64 3HG1 VAL 64 -6.964 1.221 1.336 673 3HG1 VAL 64 1HG1 VAL 64 -8.085 -0.060 0.915 674 1HG2 VAL 64 3HG2 VAL 64 -4.497 0.635 -1.270 675 2HG2 VAL 64 1HG2 VAL 64 -5.030 1.731 0.002 676 3HG2 VAL 64 2HG2 VAL 64 -4.466 0.113 0.409 677 QG1 VAL 64 QG1 VAL 64 -7.186 0.237 1.287 678 QG2 VAL 64 QG2 VAL 64 -4.664 0.826 -0.286 679 QQG VAL 64 QQG VAL 64 -5.925 0.532 0.500 680 H ASP 65 HN ASP 65 -7.503 -2.418 0.941 681 HA ASP 65 HA ASP 65 -9.573 -3.340 1.458 682 1HB ASP 65 2HB ASP 65 -10.567 -1.183 1.186 683 2HB ASP 65 3HB ASP 65 -10.387 -1.219 -0.553 684 QB ASP 65 QB ASP 65 -10.477 -1.201 0.317 685 H GLN 66 HN GLN 66 -10.473 -2.786 -1.827 686 HA GLN 66 HA GLN 66 -9.891 -5.616 -2.508 687 1HB GLN 66 2HB GLN 66 -12.563 -4.225 -2.883 688 2HB GLN 66 3HB GLN 66 -12.180 -5.843 -3.465 689 1HG GLN 66 2HG GLN 66 -12.061 -6.734 -1.272 690 2HG GLN 66 3HG GLN 66 -11.825 -5.154 -0.534 691 1HE2 GLN 66 2HE2 GLN 66 -15.244 -4.429 -0.310 692 2HE2 GLN 66 1HE2 GLN 66 -13.658 -3.851 -0.111 693 QB GLN 66 QB GLN 66 -12.371 -5.034 -3.174 694 QG GLN 66 QG GLN 66 -11.943 -5.944 -0.903 695 QE2 GLN 66 QE2 GLN 66 -14.451 -4.140 -0.210 696 H GLN 67 HN GLN 67 -10.007 -2.336 -3.531 697 HA GLN 67 HA GLN 67 -9.771 -3.170 -6.363 698 1HB GLN 67 2HB GLN 67 -10.470 -0.905 -6.887 699 2HB GLN 67 3HB GLN 67 -11.620 -1.610 -5.789 700 1HG GLN 67 2HG GLN 67 -9.425 -0.124 -4.459 701 2HG GLN 67 3HG GLN 67 -10.511 0.862 -5.434 702 1HE2 GLN 67 2HE2 GLN 67 -11.839 -0.745 -1.956 703 2HE2 GLN 67 1HE2 GLN 67 -10.220 -0.912 -2.462 704 QB GLN 67 QB GLN 67 -11.045 -1.258 -6.338 705 QG GLN 67 QG GLN 67 -9.968 0.369 -4.946 706 QE2 GLN 67 QE2 GLN 67 -11.030 -0.828 -2.209 707 H HIS 68 HN HIS 68 -8.495 -1.635 -7.673 708 HA HIS 68 HA HIS 68 -5.785 -1.432 -6.567 709 1HB HIS 68 2HB HIS 68 -5.934 -2.110 -8.854 710 2HB HIS 68 3HB HIS 68 -7.044 -0.825 -9.247 711 HD1 HIS 68 HD1 HIS 68 -5.942 0.850 -10.538 712 HD2 HIS 68 HD2 HIS 68 -3.267 -0.710 -7.833 713 HE1 HIS 68 HE1 HIS 68 -3.824 2.185 -10.769 714 QB HIS 68 QB HIS 68 -6.489 -1.468 -9.051 715 H ILE 69 HN ILE 69 -4.695 0.658 -6.406 716 HA ILE 69 HA ILE 69 -6.666 2.900 -6.114 717 HB ILE 69 HB ILE 69 -4.038 2.704 -4.626 718 1HG1 ILE 69 2HG1 ILE 69 -5.316 0.639 -4.127 719 2HG1 ILE 69 3HG1 ILE 69 -5.255 1.703 -2.742 720 1HG2 ILE 69 1HG2 ILE 69 -6.682 4.108 -4.067 721 2HG2 ILE 69 2HG2 ILE 69 -5.254 4.187 -3.045 722 3HG2 ILE 69 3HG2 ILE 69 -5.218 4.875 -4.664 723 1HD1 ILE 69 2HD1 ILE 69 -7.615 1.558 -4.643 724 2HD1 ILE 69 3HD1 ILE 69 -7.528 0.731 -3.098 725 3HD1 ILE 69 1HD1 ILE 69 -7.525 2.488 -3.151 726 QG1 ILE 69 QG1 ILE 69 -5.286 1.171 -3.435 727 QG2 ILE 69 QG2 ILE 69 -5.718 4.390 -3.925 728 QD1 ILE 69 QD1 ILE 69 -7.556 1.592 -3.631 729 H GLY 70 HN GLY 70 -3.343 2.096 -6.954 730 1HA GLY 70 1HA GLY 70 -2.805 3.267 -9.261 731 2HA GLY 70 2HA GLY 70 -3.061 4.723 -8.316 732 QA GLY 70 QA GLY 70 -2.933 3.995 -8.788 733 H GLY 71 HN GLY 71 -1.095 5.582 -7.986 734 1HA GLY 71 1HA GLY 71 1.124 3.777 -7.115 735 2HA GLY 71 2HA GLY 71 1.366 5.297 -7.970 736 QA GLY 71 QA GLY 71 1.245 4.537 -7.542 737 OH TYR 72 OH TYR 72 4.020 8.880 1.307 738 H TYR 72 HN TYR 72 2.745 6.048 -6.241 739 HA TYR 72 HA TYR 72 2.014 6.049 -3.503 740 1HB TYR 72 2HB TYR 72 4.320 6.645 -4.412 741 2HB TYR 72 3HB TYR 72 3.677 8.239 -4.804 742 HD1 TYR 72 HD2 TYR 72 3.458 5.829 -1.969 743 HD2 TYR 72 HD1 TYR 72 4.073 9.875 -3.108 744 HE1 TYR 72 HE2 TYR 72 3.692 6.438 0.382 745 HE2 TYR 72 HE1 TYR 72 4.294 10.492 -0.742 746 HH TYR 72 HH TYR 72 3.247 9.445 1.461 747 QB TYR 72 QB TYR 72 3.998 7.442 -4.608 748 QR TYR 72 QR TYR 72 3.879 8.159 -1.359 749 H THR 73 HN THR 73 1.710 8.715 -5.838 750 HA THR 73 HA THR 73 0.415 10.560 -4.186 751 HB THR 73 HB THR 73 -0.745 11.116 -6.590 752 HG1 THR 73 1HG THR 73 -0.220 9.001 -7.424 753 1HG2 THR 73 1HG2 THR 73 1.294 12.321 -5.594 754 2HG2 THR 73 2HG2 THR 73 2.301 11.043 -6.267 755 3HG2 THR 73 3HG2 THR 73 1.398 12.106 -7.339 756 QG2 THR 73 QG2 THR 73 1.664 11.823 -6.400 757 H ASP 74 HN ASP 74 -0.908 7.801 -5.861 758 HA ASP 74 HA ASP 74 -3.679 8.347 -5.256 759 1HB ASP 74 2HB ASP 74 -2.435 5.652 -5.896 760 2HB ASP 74 3HB ASP 74 -4.088 6.171 -6.195 761 QB ASP 74 QB ASP 74 -3.262 5.912 -6.046 762 H PHE 75 HN PHE 75 -1.471 5.835 -4.034 763 HA PHE 75 HA PHE 75 -3.104 4.873 -1.945 764 1HB PHE 75 2HB PHE 75 -0.938 3.867 -2.676 765 2HB PHE 75 3HB PHE 75 -0.078 5.198 -1.927 766 HD1 PHE 75 2HD PHE 75 -3.017 4.149 -0.033 767 HD2 PHE 75 1HD PHE 75 1.113 3.302 -0.717 768 HE1 PHE 75 2HE PHE 75 -2.918 2.911 2.071 769 HE2 PHE 75 1HE PHE 75 1.199 2.064 1.393 770 HZ PHE 75 HZ PHE 75 -0.815 1.866 2.793 771 QB PHE 75 QB PHE 75 -0.508 4.532 -2.301 772 QR PHE 75 QR PHE 75 -0.906 3.106 0.678 773 H ALA 76 HN ALA 76 -0.781 7.507 -1.954 774 HA ALA 76 HA ALA 76 -0.973 8.378 0.719 775 1HB ALA 76 1HB ALA 76 0.674 9.215 -0.977 776 2HB ALA 76 2HB ALA 76 -0.628 10.059 -1.801 777 3HB ALA 76 3HB ALA 76 -0.158 10.543 -0.177 778 QB ALA 76 QB ALA 76 -0.038 9.939 -0.985 779 H ALA 77 HN ALA 77 -2.713 9.685 -2.121 780 HA ALA 77 HA ALA 77 -4.477 11.319 -0.602 781 1HB ALA 77 3HB ALA 77 -4.226 11.532 -3.058 782 2HB ALA 77 1HB ALA 77 -4.993 9.965 -3.284 783 3HB ALA 77 2HB ALA 77 -5.919 11.313 -2.627 784 QB ALA 77 QB ALA 77 -5.046 10.937 -2.990 785 CH2 TRP 78 CH2 TRP 78 -8.076 2.685 2.806 786 H TRP 78 HN TRP 78 -5.114 8.047 -1.937 787 HA TRP 78 HA TRP 78 -7.699 7.672 -0.931 788 1HB TRP 78 2HB TRP 78 -6.522 5.943 -2.246 789 2HB TRP 78 3HB TRP 78 -5.471 5.617 -0.901 790 HD1 TRP 78 HD1 TRP 78 -8.923 4.761 -2.257 791 HE1 TRP 78 HE1 TRP 78 -10.086 3.123 -0.767 792 HE3 TRP 78 HE3 TRP 78 -5.707 4.795 1.599 793 HZ2 TRP 78 HZ2 TRP 78 -9.788 2.015 1.735 794 HZ3 TRP 78 HZ3 TRP 78 -6.265 3.476 3.614 795 HH2 TRP 78 HH2 TRP 78 -8.291 2.087 3.677 796 QB TRP 78 QB TRP 78 -5.996 5.780 -1.573 797 H VAL 79 HN VAL 79 -4.635 6.945 0.731 798 HA VAL 79 HA VAL 79 -5.623 6.151 3.230 799 HB VAL 79 HB VAL 79 -3.166 7.744 2.420 800 1HG1 VAL 79 3HG1 VAL 79 -3.843 6.713 5.193 801 2HG1 VAL 79 1HG1 VAL 79 -2.273 7.335 4.713 802 3HG1 VAL 79 2HG1 VAL 79 -3.670 8.401 4.750 803 1HG2 VAL 79 1HG2 VAL 79 -3.306 5.354 1.785 804 2HG2 VAL 79 2HG2 VAL 79 -2.040 5.609 2.978 805 3HG2 VAL 79 3HG2 VAL 79 -3.584 4.920 3.462 806 QG1 VAL 79 QG1 VAL 79 -3.262 7.483 4.885 807 QG2 VAL 79 QG2 VAL 79 -2.976 5.295 2.742 808 QQG VAL 79 QQG VAL 79 -3.119 6.389 3.813 809 H LYS 80 HN LYS 80 -4.707 9.446 2.294 810 HA LYS 80 HA LYS 80 -5.745 10.752 4.565 811 1HB LYS 80 2HB LYS 80 -4.255 11.726 2.840 812 2HB LYS 80 3HB LYS 80 -5.591 11.730 1.702 813 1HG LYS 80 2HG LYS 80 -6.261 12.967 4.286 814 2HG LYS 80 3HG LYS 80 -4.959 13.786 3.426 815 1HD LYS 80 2HD LYS 80 -6.305 14.355 1.625 816 2HD LYS 80 3HD LYS 80 -7.353 12.960 1.815 817 1HE LYS 80 2HE LYS 80 -7.311 15.218 3.824 818 2HE LYS 80 3HE LYS 80 -8.360 15.240 2.413 819 1HZ LYS 80 1HZ LYS 80 -8.576 12.740 3.744 820 2HZ LYS 80 2HZ LYS 80 -8.874 14.019 4.832 821 3HZ LYS 80 3HZ LYS 80 -9.776 13.909 3.414 822 QB LYS 80 QB LYS 80 -4.923 11.728 2.271 823 QG LYS 80 QG LYS 80 -5.610 13.377 3.856 824 QD LYS 80 QD LYS 80 -6.829 13.657 1.720 825 QE LYS 80 QE LYS 80 -7.836 15.229 3.119 826 QZ LYS 80 QZ LYS 80 -9.076 13.556 3.997 827 H GLU 81 HN GLU 81 -7.409 10.356 1.453 828 HA GLU 81 HA GLU 81 -9.806 11.691 2.169 829 1HB GLU 81 2HB GLU 81 -9.456 9.431 0.159 830 2HB GLU 81 3HB GLU 81 -10.804 10.553 0.208 831 1HG GLU 81 2HG GLU 81 -9.307 12.433 -0.300 832 2HG GLU 81 3HG GLU 81 -7.908 11.370 -0.248 833 QB GLU 81 QB GLU 81 -10.130 9.992 0.184 834 QG GLU 81 QG GLU 81 -8.607 11.901 -0.274 835 H ASN 82 HN ASN 82 -8.891 8.336 2.641 836 HA ASN 82 HA ASN 82 -11.640 7.795 3.643 837 1HB ASN 82 2HB ASN 82 -9.339 5.919 3.016 838 2HB ASN 82 3HB ASN 82 -10.913 5.405 3.612 839 1HD2 ASN 82 2HD2 ASN 82 -10.622 6.846 -0.216 840 2HD2 ASN 82 1HD2 ASN 82 -9.430 7.258 0.927 841 QB ASN 82 QB ASN 82 -10.126 5.662 3.314 842 QD2 ASN 82 QD2 ASN 82 -10.026 7.052 0.355 843 H LEU 83 HN LEU 83 -8.359 8.010 4.895 844 HA LEU 83 HA LEU 83 -9.291 6.813 7.438 845 1HB LEU 83 2HB LEU 83 -6.551 7.922 6.763 846 2HB LEU 83 3HB LEU 83 -6.961 6.911 8.137 847 HG LEU 83 HG LEU 83 -6.823 6.138 5.207 848 1HD1 LEU 83 1HD1 LEU 83 -4.816 5.900 6.650 849 2HD1 LEU 83 2HD1 LEU 83 -5.730 4.867 7.734 850 3HD1 LEU 83 3HD1 LEU 83 -5.403 4.342 6.086 851 1HD2 LEU 83 3HD2 LEU 83 -8.196 4.565 7.406 852 2HD2 LEU 83 1HD2 LEU 83 -8.980 5.249 5.989 853 3HD2 LEU 83 2HD2 LEU 83 -7.815 3.951 5.804 854 QB LEU 83 QB LEU 83 -6.756 7.417 7.450 855 QD1 LEU 83 QD1 LEU 83 -5.316 5.036 6.823 856 QD2 LEU 83 QD2 LEU 83 -8.331 4.588 6.399 857 QQD LEU 83 QQD LEU 83 -6.824 4.812 6.611 858 H ASP 84 HN ASP 84 -8.721 9.948 6.071 859 HA ASP 84 HA ASP 84 -9.018 11.153 8.803 860 1HB ASP 84 2HB ASP 84 -8.161 12.608 6.282 861 2HB ASP 84 3HB ASP 84 -7.997 13.153 7.938 862 QB ASP 84 QB ASP 84 -8.079 12.880 7.110 863 H ALA 85 HN ALA 85 -9.864 11.535 5.469 864 HA ALA 85 HA ALA 85 -12.210 11.621 4.689 865 1HB ALA 85 2HB ALA 85 -13.215 11.981 6.951 866 2HB ALA 85 3HB ALA 85 -12.557 13.615 6.962 867 3HB ALA 85 1HB ALA 85 -13.787 13.170 5.787 868 QB ALA 85 QB ALA 85 -13.187 12.922 6.567 Start of MODEL 11 Raw file had 868 H/Q atoms Start of MODEL 11 1 H MET 1 HN MET 1 -7.858 -5.918 6.326 2 HA MET 1 HA MET 1 -8.237 -3.790 4.484 3 1HB MET 1 2HB MET 1 -8.603 -2.533 6.661 4 2HB MET 1 3HB MET 1 -6.952 -2.952 7.087 5 1HG MET 1 2HG MET 1 -7.033 -0.730 6.084 6 2HG MET 1 3HG MET 1 -6.109 -1.824 5.091 7 1HE MET 1 3HE MET 1 -9.637 -0.254 5.613 8 2HE MET 1 1HE MET 1 -8.436 0.958 5.144 9 3HE MET 1 2HE MET 1 -9.777 0.578 4.065 10 QB MET 1 QB MET 1 -7.778 -2.743 6.874 11 QG MET 1 QG MET 1 -6.571 -1.277 5.587 12 QE MET 1 QE MET 1 -9.283 0.427 4.941 13 H GLN 2 HN GLN 2 -6.940 -5.521 3.464 14 HA GLN 2 HA GLN 2 -4.182 -5.826 4.522 15 1HB GLN 2 2HB GLN 2 -5.522 -7.260 2.201 16 2HB GLN 2 3HB GLN 2 -4.041 -7.734 3.021 17 1HG GLN 2 2HG GLN 2 -5.238 -8.257 5.059 18 2HG GLN 2 3HG GLN 2 -6.721 -7.525 4.451 19 1HE2 GLN 2 2HE2 GLN 2 -7.595 -10.314 2.446 20 2HE2 GLN 2 1HE2 GLN 2 -7.852 -8.652 2.699 21 QB GLN 2 QB GLN 2 -4.782 -7.497 2.611 22 QG GLN 2 QG GLN 2 -5.979 -7.891 4.755 23 QE2 GLN 2 QE2 GLN 2 -7.724 -9.483 2.572 24 H THR 3 HN THR 3 -3.139 -3.981 3.915 25 HA THR 3 HA THR 3 -3.425 -2.926 1.194 26 HB THR 3 HB THR 3 -1.854 -2.084 3.660 27 HG1 THR 3 1HG THR 3 -3.561 -0.826 3.774 28 1HG2 THR 3 1HG2 THR 3 -0.538 -1.472 1.529 29 2HG2 THR 3 2HG2 THR 3 -1.981 -0.627 0.973 30 3HG2 THR 3 3HG2 THR 3 -1.140 -0.076 2.417 31 QG2 THR 3 QG2 THR 3 -1.220 -0.725 1.640 32 H VAL 4 HN VAL 4 -2.394 -3.879 -0.418 33 HA VAL 4 HA VAL 4 0.248 -5.226 0.051 34 HB VAL 4 HB VAL 4 -1.630 -5.486 -2.329 35 1HG1 VAL 4 1HG1 VAL 4 0.780 -7.111 -1.430 36 2HG1 VAL 4 2HG1 VAL 4 -0.238 -7.493 -2.815 37 3HG1 VAL 4 3HG1 VAL 4 0.728 -6.023 -2.815 38 1HG2 VAL 4 1HG2 VAL 4 -1.280 -7.343 0.050 39 2HG2 VAL 4 2HG2 VAL 4 -2.707 -6.370 -0.283 40 3HG2 VAL 4 3HG2 VAL 4 -2.264 -7.684 -1.370 41 QG1 VAL 4 QG1 VAL 4 0.423 -6.876 -2.353 42 QG2 VAL 4 QG2 VAL 4 -2.084 -7.132 -0.534 43 QQG VAL 4 QQG VAL 4 -0.830 -7.004 -1.444 44 H ILE 5 HN ILE 5 2.011 -4.518 -1.009 45 HA ILE 5 HA ILE 5 1.662 -2.181 -2.865 46 HB ILE 5 HB ILE 5 4.098 -2.740 -1.139 47 1HG1 ILE 5 2HG1 ILE 5 1.694 -0.970 -0.524 48 2HG1 ILE 5 3HG1 ILE 5 2.153 -2.436 0.337 49 1HG2 ILE 5 1HG2 ILE 5 4.427 -1.278 -3.110 50 2HG2 ILE 5 2HG2 ILE 5 3.106 -0.244 -2.574 51 3HG2 ILE 5 3HG2 ILE 5 4.583 -0.356 -1.620 52 1HD1 ILE 5 3HD1 ILE 5 4.309 -1.397 0.944 53 2HD1 ILE 5 1HD1 ILE 5 3.807 0.095 0.162 54 3HD1 ILE 5 2HD1 ILE 5 2.935 -0.488 1.573 55 QG1 ILE 5 QG1 ILE 5 1.924 -1.703 -0.094 56 QG2 ILE 5 QG2 ILE 5 4.039 -0.626 -2.435 57 QD1 ILE 5 QD1 ILE 5 3.684 -0.597 0.893 58 H PHE 6 HN PHE 6 1.933 -2.977 -4.878 59 HA PHE 6 HA PHE 6 3.854 -5.141 -5.424 60 1HB PHE 6 2HB PHE 6 2.017 -3.527 -7.241 61 2HB PHE 6 3HB PHE 6 3.059 -4.833 -7.801 62 HD1 PHE 6 2HD PHE 6 0.370 -4.129 -5.282 63 HD2 PHE 6 1HD PHE 6 2.223 -7.031 -7.796 64 HE1 PHE 6 2HE PHE 6 -1.367 -5.756 -4.688 65 HE2 PHE 6 1HE PHE 6 0.482 -8.649 -7.198 66 HZ PHE 6 HZ PHE 6 -1.320 -8.010 -5.658 67 QB PHE 6 QB PHE 6 2.538 -4.180 -7.521 68 QR PHE 6 QR PHE 6 0.427 -6.391 -6.241 69 H GLY 7 HN GLY 7 5.826 -4.206 -5.023 70 1HA GLY 7 1HA GLY 7 6.534 -1.821 -6.667 71 2HA GLY 7 2HA GLY 7 7.389 -2.319 -5.213 72 QA GLY 7 QA GLY 7 6.962 -2.070 -5.940 73 NH1 ARG 8 NH1 ARG 8 12.372 -0.946 -8.850 74 NH2 ARG 8 NH2 ARG 8 13.082 -0.390 -10.944 75 H ARG 8 HN ARG 8 9.308 -2.187 -6.636 76 HA ARG 8 HA ARG 8 9.650 -4.794 -8.022 77 1HB ARG 8 2HB ARG 8 8.926 -3.005 -9.646 78 2HB ARG 8 3HB ARG 8 10.390 -2.119 -9.286 79 1HG ARG 8 2HG ARG 8 11.327 -4.682 -9.909 80 2HG ARG 8 3HG ARG 8 9.978 -4.457 -11.014 81 1HD ARG 8 2HD ARG 8 11.970 -3.566 -12.093 82 2HD ARG 8 3HD ARG 8 10.950 -2.198 -11.634 83 HE ARG 8 HE ARG 8 13.317 -3.121 -10.028 84 1HH1 ARG 8 2HH1 ARG 8 12.056 -1.665 -8.230 85 2HH1 ARG 8 1HH1 ARG 8 12.441 -0.009 -8.522 86 1HH2 ARG 8 2HH2 ARG 8 13.304 -0.691 -11.873 87 2HH2 ARG 8 1HH2 ARG 8 13.169 0.574 -10.694 88 QB ARG 8 QB ARG 8 9.658 -2.562 -9.466 89 QG ARG 8 QG ARG 8 10.653 -4.569 -10.461 90 QD ARG 8 QD ARG 8 11.460 -2.882 -11.864 91 QH1 ARG 8 QH1 ARG 8 12.248 -0.837 -8.376 92 QH2 ARG 8 QH2 ARG 8 13.237 -0.058 -11.284 93 H SER 9 HN SER 9 10.701 -4.225 -5.594 94 HA SER 9 HA SER 9 12.687 -4.488 -4.382 95 1HB SER 9 2HB SER 9 14.153 -4.575 -7.058 96 2HB SER 9 3HB SER 9 14.726 -5.188 -5.500 97 HG SER 9 HG SER 9 12.223 -6.055 -6.095 98 QB SER 9 QB SER 9 14.440 -4.881 -6.279 99 H GLY 10 HN GLY 10 13.875 -2.622 -7.172 100 1HA GLY 10 1HA GLY 10 14.955 -0.630 -5.209 101 2HA GLY 10 2HA GLY 10 15.657 -0.945 -6.786 102 QA GLY 10 QA GLY 10 15.306 -0.788 -5.998 103 H CYS 11 HN CYS 11 12.575 0.093 -5.390 104 HA CYS 11 HA CYS 11 12.557 2.326 -7.368 105 1HB CYS 11 2HB CYS 11 9.916 1.823 -7.076 106 2HB CYS 11 3HB CYS 11 10.877 1.181 -8.380 107 QB CYS 11 QB CYS 11 10.396 1.502 -7.728 108 HA PRO 12 HA PRO 12 12.550 4.295 -3.358 109 1HB PRO 12 2HB PRO 12 11.541 6.767 -4.379 110 2HB PRO 12 3HB PRO 12 13.231 6.359 -4.069 111 1HG PRO 12 2HG PRO 12 11.754 6.405 -6.659 112 2HG PRO 12 3HG PRO 12 13.486 6.579 -6.361 113 1HD PRO 12 2HD PRO 12 12.341 4.296 -7.418 114 2HD PRO 12 3HD PRO 12 13.863 4.280 -6.500 115 QB PRO 12 QB PRO 12 12.386 6.563 -4.224 116 QG PRO 12 QG PRO 12 12.620 6.492 -6.510 117 QD PRO 12 QD PRO 12 13.102 4.288 -6.959 118 OH TYR 13 OH TYR 13 6.514 10.390 -6.900 119 H TYR 13 HN TYR 13 9.935 4.962 -5.620 120 HA TYR 13 HA TYR 13 7.882 5.534 -3.779 121 1HB TYR 13 2HB TYR 13 7.933 4.422 -6.569 122 2HB TYR 13 3HB TYR 13 6.415 4.422 -5.681 123 HD1 TYR 13 HD2 TYR 13 9.182 6.965 -5.637 124 HD2 TYR 13 HD1 TYR 13 5.125 6.110 -6.599 125 HE1 TYR 13 HE2 TYR 13 8.784 9.339 -6.087 126 HE2 TYR 13 HE1 TYR 13 4.746 8.474 -7.093 127 HH TYR 13 HH TYR 13 7.102 10.642 -7.617 128 QB TYR 13 QB TYR 13 7.174 4.422 -6.125 129 QR TYR 13 QR TYR 13 6.959 7.722 -6.354 130 H CYS 14 HN CYS 14 9.085 2.357 -4.780 131 HA CYS 14 HA CYS 14 6.919 0.866 -3.588 132 1HB CYS 14 2HB CYS 14 9.794 0.023 -4.052 133 2HB CYS 14 3HB CYS 14 8.462 -1.049 -3.738 134 QB CYS 14 QB CYS 14 9.128 -0.513 -3.895 135 H VAL 15 HN VAL 15 10.196 1.590 -2.505 136 HA VAL 15 HA VAL 15 9.912 0.452 0.109 137 HB VAL 15 HB VAL 15 11.745 2.692 -0.797 138 1HG1 VAL 15 2HG1 VAL 15 11.927 0.763 1.562 139 2HG1 VAL 15 3HG1 VAL 15 13.159 1.935 1.105 140 3HG1 VAL 15 1HG1 VAL 15 11.590 2.487 1.685 141 1HG2 VAL 15 3HG2 VAL 15 12.079 -0.332 -0.694 142 2HG2 VAL 15 1HG2 VAL 15 11.916 0.627 -2.161 143 3HG2 VAL 15 2HG2 VAL 15 13.342 0.809 -1.146 144 QG1 VAL 15 QG1 VAL 15 12.225 1.728 1.451 145 QG2 VAL 15 QG2 VAL 15 12.446 0.368 -1.334 146 QQG VAL 15 QQG VAL 15 12.336 1.048 0.059 147 NH1 ARG 16 NH2 ARG 16 6.151 6.374 3.617 148 NH2 ARG 16 NH1 ARG 16 7.776 7.813 4.288 149 H ARG 16 HN ARG 16 9.498 3.772 -1.063 150 HA ARG 16 HA ARG 16 8.886 5.004 1.413 151 1HB ARG 16 2HB ARG 16 9.484 6.330 -0.516 152 2HB ARG 16 3HB ARG 16 8.173 5.648 -1.466 153 1HG ARG 16 2HG ARG 16 7.479 7.823 -0.773 154 2HG ARG 16 3HG ARG 16 6.552 6.673 0.170 155 1HD ARG 16 2HD ARG 16 8.809 7.082 1.759 156 2HD ARG 16 3HD ARG 16 8.516 8.681 1.073 157 HE ARG 16 HE ARG 16 6.115 8.416 1.941 158 1HH1 ARG 16 2HH2 ARG 16 5.585 6.024 2.869 159 2HH1 ARG 16 1HH2 ARG 16 6.127 5.931 4.524 160 1HH2 ARG 16 2HH1 ARG 16 8.369 8.581 4.076 161 2HH2 ARG 16 1HH1 ARG 16 7.828 7.373 5.197 162 QB ARG 16 QB ARG 16 8.828 5.989 -0.991 163 QG ARG 16 QG ARG 16 7.016 7.248 -0.301 164 QD ARG 16 QD ARG 16 8.663 7.881 1.416 165 QH1 ARG 16 QH2 ARG 16 5.856 5.977 3.697 166 QH2 ARG 16 QH1 ARG 16 8.098 7.977 4.636 167 H ALA 17 HN ALA 17 6.714 3.660 -1.099 168 HA ALA 17 HA ALA 17 4.283 4.221 0.278 169 1HB ALA 17 2HB ALA 17 4.952 1.834 -1.484 170 2HB ALA 17 3HB ALA 17 3.325 2.355 -1.050 171 3HB ALA 17 1HB ALA 17 4.342 3.383 -2.051 172 QB ALA 17 QB ALA 17 4.207 2.524 -1.529 173 H LYS 18 HN LYS 18 6.428 1.355 0.378 174 HA LYS 18 HA LYS 18 4.987 -0.042 2.376 175 1HB LYS 18 2HB LYS 18 6.752 -1.127 1.173 176 2HB LYS 18 3HB LYS 18 7.924 0.078 1.685 177 1HG LYS 18 2HG LYS 18 6.472 -1.397 3.837 178 2HG LYS 18 3HG LYS 18 7.680 -2.294 2.925 179 1HD LYS 18 2HD LYS 18 9.378 -0.646 3.419 180 2HD LYS 18 3HD LYS 18 8.225 0.425 4.168 181 1HE LYS 18 2HE LYS 18 8.754 -2.373 5.189 182 2HE LYS 18 3HE LYS 18 9.538 -0.930 5.830 183 1HZ LYS 18 2HZ LYS 18 6.794 -0.397 5.727 184 2HZ LYS 18 3HZ LYS 18 6.965 -1.931 6.430 185 3HZ LYS 18 1HZ LYS 18 7.779 -0.617 7.109 186 QB LYS 18 QB LYS 18 7.338 -0.524 1.429 187 QG LYS 18 QG LYS 18 7.076 -1.846 3.381 188 QD LYS 18 QD LYS 18 8.802 -0.111 3.794 189 QE LYS 18 QE LYS 18 9.146 -1.651 5.510 190 QZ LYS 18 QZ LYS 18 7.180 -0.982 6.422 191 H ASP 19 HN ASP 19 7.541 2.379 2.729 192 HA ASP 19 HA ASP 19 7.769 2.439 5.518 193 1HB ASP 19 2HB ASP 19 9.216 3.802 4.127 194 2HB ASP 19 3HB ASP 19 7.862 4.693 3.478 195 QB ASP 19 QB ASP 19 8.539 4.248 3.803 196 H LEU 20 HN LEU 20 5.477 4.242 3.471 197 HA LEU 20 HA LEU 20 4.032 5.452 5.598 198 1HB LEU 20 2HB LEU 20 3.634 6.151 3.283 199 2HB LEU 20 3HB LEU 20 2.981 4.572 2.881 200 HG LEU 20 HG LEU 20 1.078 4.919 4.369 201 1HD1 LEU 20 3HD1 LEU 20 2.437 7.546 5.101 202 2HD1 LEU 20 1HD1 LEU 20 0.806 7.091 5.576 203 3HD1 LEU 20 2HD1 LEU 20 2.178 6.173 6.179 204 1HD2 LEU 20 2HD2 LEU 20 0.927 5.899 2.081 205 2HD2 LEU 20 3HD2 LEU 20 0.012 6.863 3.235 206 3HD2 LEU 20 1HD2 LEU 20 1.591 7.409 2.683 207 QB LEU 20 QB LEU 20 3.307 5.362 3.082 208 QD1 LEU 20 QD1 LEU 20 1.807 6.937 5.619 209 QD2 LEU 20 QD2 LEU 20 0.844 6.724 2.667 210 QQD LEU 20 QQD LEU 20 1.325 6.830 4.143 211 H ALA 21 HN ALA 21 3.293 2.404 3.888 212 HA ALA 21 HA ALA 21 1.035 1.617 5.340 213 1HB ALA 21 2HB ALA 21 3.346 -0.180 4.517 214 2HB ALA 21 3HB ALA 21 1.739 -0.734 4.978 215 3HB ALA 21 1HB ALA 21 1.949 0.231 3.524 216 QB ALA 21 QB ALA 21 2.345 -0.228 4.340 217 H GLU 22 HN GLU 22 4.417 0.998 6.259 218 HA GLU 22 HA GLU 22 4.139 -0.290 8.694 219 1HB GLU 22 2HB GLU 22 6.232 0.661 7.396 220 2HB GLU 22 3HB GLU 22 6.020 2.064 8.419 221 1HG GLU 22 2HG GLU 22 7.544 0.720 9.607 222 2HG GLU 22 3HG GLU 22 6.012 0.383 10.400 223 QB GLU 22 QB GLU 22 6.126 1.363 7.908 224 QG GLU 22 QG GLU 22 6.778 0.552 10.004 225 H LYS 23 HN LYS 23 3.990 3.215 8.155 226 HA LYS 23 HA LYS 23 3.385 3.718 10.956 227 1HB LYS 23 2HB LYS 23 4.490 5.337 9.293 228 2HB LYS 23 3HB LYS 23 2.870 5.663 8.696 229 1HG LYS 23 2HG LYS 23 3.385 5.791 11.664 230 2HG LYS 23 3HG LYS 23 3.925 7.121 10.656 231 1HD LYS 23 2HD LYS 23 1.711 7.585 9.881 232 2HD LYS 23 3HD LYS 23 1.076 6.087 10.533 233 1HE LYS 23 2HE LYS 23 2.309 8.246 12.261 234 2HE LYS 23 3HE LYS 23 0.595 8.166 11.911 235 1HZ LYS 23 1HZ LYS 23 1.503 5.622 12.772 236 2HZ LYS 23 2HZ LYS 23 1.973 6.804 13.907 237 3HZ LYS 23 3HZ LYS 23 0.336 6.620 13.488 238 QB LYS 23 QB LYS 23 3.680 5.500 8.995 239 QG LYS 23 QG LYS 23 3.655 6.456 11.160 240 QD LYS 23 QD LYS 23 1.393 6.836 10.207 241 QE LYS 23 QE LYS 23 1.452 8.206 12.086 242 QZ LYS 23 QZ LYS 23 1.271 6.349 13.389 243 H LEU 24 HN LEU 24 1.332 3.725 8.000 244 HA LEU 24 HA LEU 24 -1.083 4.554 9.179 245 1HB LEU 24 2HB LEU 24 -0.377 3.069 6.786 246 2HB LEU 24 3HB LEU 24 -1.832 2.385 7.504 247 HG LEU 24 HG LEU 24 -1.410 5.334 7.055 248 1HD1 LEU 24 1HD1 LEU 24 -2.997 3.327 5.409 249 2HD1 LEU 24 2HD1 LEU 24 -2.987 5.063 5.136 250 3HD1 LEU 24 3HD1 LEU 24 -1.517 4.129 4.887 251 1HD2 LEU 24 1HD2 LEU 24 -3.064 4.668 8.849 252 2HD2 LEU 24 2HD2 LEU 24 -3.842 5.475 7.505 253 3HD2 LEU 24 3HD2 LEU 24 -3.936 3.719 7.654 254 QB LEU 24 QB LEU 24 -1.104 2.727 7.145 255 QD1 LEU 24 QD1 LEU 24 -2.500 4.173 5.144 256 QD2 LEU 24 QD2 LEU 24 -3.614 4.621 8.003 257 QQD LEU 24 QQD LEU 24 -3.057 4.397 6.573 258 H SER 25 HN SER 25 0.185 1.342 8.952 259 HA SER 25 HA SER 25 -1.668 -0.248 10.253 260 1HB SER 25 2HB SER 25 1.317 -0.328 10.850 261 2HB SER 25 3HB SER 25 0.173 -1.682 10.958 262 HG SER 25 HG SER 25 1.315 -0.486 8.740 263 QB SER 25 QB SER 25 0.745 -1.005 10.904 264 H ASN 26 HN ASN 26 0.418 2.144 11.639 265 HA ASN 26 HA ASN 26 -0.712 1.631 14.355 266 1HB ASN 26 2HB ASN 26 1.825 3.045 13.463 267 2HB ASN 26 3HB ASN 26 1.285 2.915 15.134 268 1HD2 ASN 26 2HD2 ASN 26 3.009 -0.321 13.369 269 2HD2 ASN 26 1HD2 ASN 26 2.696 1.054 12.430 270 QB ASN 26 QB ASN 26 1.555 2.980 14.298 271 QD2 ASN 26 QD2 ASN 26 2.852 0.367 12.899 272 H GLU 27 HN GLU 27 -2.241 2.933 12.491 273 HA GLU 27 HA GLU 27 -2.486 5.657 13.678 274 1HB GLU 27 2HB GLU 27 -2.442 4.840 10.786 275 2HB GLU 27 3HB GLU 27 -3.474 6.162 11.275 276 1HG GLU 27 2HG GLU 27 -0.540 5.993 11.909 277 2HG GLU 27 3HG GLU 27 -1.198 6.895 10.553 278 QB GLU 27 QB GLU 27 -2.958 5.501 11.031 279 QG GLU 27 QG GLU 27 -0.869 6.444 11.231 280 NH1 ARG 28 NH2 ARG 28 -5.250 7.768 10.210 281 NH2 ARG 28 NH1 ARG 28 -7.005 9.177 9.870 282 H ARG 28 HN ARG 28 -4.092 3.303 11.597 283 HA ARG 28 HA ARG 28 -6.674 4.110 12.836 284 1HB ARG 28 2HB ARG 28 -6.190 2.488 10.308 285 2HB ARG 28 3HB ARG 28 -7.752 3.020 10.901 286 1HG ARG 28 2HG ARG 28 -5.483 4.784 9.902 287 2HG ARG 28 3HG ARG 28 -7.052 4.556 9.150 288 1HD ARG 28 2HD ARG 28 -8.041 5.478 11.354 289 2HD ARG 28 3HD ARG 28 -6.421 6.045 11.721 290 HE ARG 28 HE ARG 28 -8.163 7.018 9.471 291 1HH1 ARG 28 1HH2 ARG 28 -4.925 6.837 10.330 292 2HH1 ARG 28 2HH2 ARG 28 -4.589 8.529 10.236 293 1HH2 ARG 28 1HH1 ARG 28 -7.999 9.311 9.780 294 2HH2 ARG 28 2HH1 ARG 28 -6.392 9.974 9.808 295 QB ARG 28 QB ARG 28 -6.971 2.754 10.604 296 QG ARG 28 QG ARG 28 -6.267 4.670 9.526 297 QD ARG 28 QD ARG 28 -7.231 5.761 11.537 298 QH1 ARG 28 QH2 ARG 28 -4.757 7.683 10.283 299 QH2 ARG 28 QH1 ARG 28 -7.195 9.642 9.794 300 H ASP 29 HN ASP 29 -8.226 2.232 12.874 301 HA ASP 29 HA ASP 29 -7.282 0.412 14.878 302 1HB ASP 29 2HB ASP 29 -9.922 0.248 13.412 303 2HB ASP 29 3HB ASP 29 -9.574 -0.168 15.086 304 QB ASP 29 QB ASP 29 -9.748 0.040 14.249 305 H ASP 30 HN ASP 30 -8.466 -0.253 11.558 306 HA ASP 30 HA ASP 30 -7.244 -2.964 11.853 307 1HB ASP 30 2HB ASP 30 -9.703 -3.139 11.706 308 2HB ASP 30 3HB ASP 30 -9.670 -2.274 10.171 309 QB ASP 30 QB ASP 30 -9.686 -2.707 10.939 310 H PHE 31 HN PHE 31 -5.314 -2.003 11.017 311 HA PHE 31 HA PHE 31 -5.391 -1.886 8.022 312 1HB PHE 31 2HB PHE 31 -5.027 0.377 8.971 313 2HB PHE 31 3HB PHE 31 -3.606 -0.213 9.817 314 HD1 PHE 31 1HD PHE 31 -1.632 -1.096 8.419 315 HD2 PHE 31 2HD PHE 31 -4.943 0.889 6.613 316 HE1 PHE 31 1HE PHE 31 -0.269 -0.621 6.442 317 HE2 PHE 31 2HE PHE 31 -3.596 1.283 4.601 318 HZ PHE 31 HZ PHE 31 -1.261 0.518 4.505 319 QB PHE 31 QB PHE 31 -4.316 0.082 9.394 320 QR PHE 31 QR PHE 31 -2.610 0.114 6.519 321 H GLN 32 HN GLN 32 -4.405 -3.644 7.266 322 HA GLN 32 HA GLN 32 -1.906 -4.611 8.625 323 1HB GLN 32 2HB GLN 32 -3.623 -6.303 6.778 324 2HB GLN 32 3HB GLN 32 -2.438 -6.847 7.952 325 1HG GLN 32 2HG GLN 32 -4.456 -7.360 9.025 326 2HG GLN 32 3HG GLN 32 -4.077 -5.788 9.716 327 1HE2 GLN 32 2HE2 GLN 32 -7.081 -4.415 8.568 328 2HE2 GLN 32 1HE2 GLN 32 -5.773 -4.355 9.639 329 QB GLN 32 QB GLN 32 -3.030 -6.575 7.365 330 QG GLN 32 QG GLN 32 -4.266 -6.574 9.371 331 QE2 GLN 32 QE2 GLN 32 -6.427 -4.385 9.103 332 OH TYR 33 OH TYR 33 5.730 -2.997 6.864 333 H TYR 33 HN TYR 33 -0.248 -5.362 6.956 334 HA TYR 33 HA TYR 33 -0.899 -4.703 4.185 335 1HB TYR 33 2HB TYR 33 0.386 -2.791 3.897 336 2HB TYR 33 3HB TYR 33 -0.227 -2.535 5.521 337 HD1 TYR 33 HD2 TYR 33 2.720 -3.475 3.537 338 HD2 TYR 33 HD1 TYR 33 1.259 -2.716 7.473 339 HE1 TYR 33 HE2 TYR 33 5.018 -3.409 4.378 340 HE2 TYR 33 HE1 TYR 33 3.564 -2.661 8.306 341 HH TYR 33 HH TYR 33 5.686 -3.006 7.842 342 QB TYR 33 QB TYR 33 0.080 -2.663 4.709 343 QR TYR 33 QR TYR 33 3.140 -3.065 5.923 344 H GLN 34 HN GLN 34 0.646 -5.342 2.697 345 HA GLN 34 HA GLN 34 2.953 -6.943 3.728 346 1HB GLN 34 2HB GLN 34 0.925 -8.443 3.216 347 2HB GLN 34 3HB GLN 34 1.116 -7.977 1.531 348 1HG GLN 34 2HG GLN 34 3.644 -8.723 1.936 349 2HG GLN 34 3HG GLN 34 2.938 -9.634 3.260 350 1HE2 GLN 34 2HE2 GLN 34 2.770 -11.194 -0.359 351 2HE2 GLN 34 1HE2 GLN 34 3.817 -9.931 0.098 352 QB GLN 34 QB GLN 34 1.021 -8.210 2.374 353 QG GLN 34 QG GLN 34 3.291 -9.179 2.598 354 QE2 GLN 34 QE2 GLN 34 3.293 -10.562 -0.131 355 OH TYR 35 OH TYR 35 8.822 -3.301 -3.737 356 H TYR 35 HN TYR 35 4.711 -7.066 2.302 357 HA TYR 35 HA TYR 35 4.598 -5.051 0.113 358 1HB TYR 35 2HB TYR 35 6.504 -4.925 1.762 359 2HB TYR 35 3HB TYR 35 7.025 -6.524 1.224 360 HD1 TYR 35 HD1 TYR 35 7.828 -6.844 -1.129 361 HD2 TYR 35 HD2 TYR 35 6.840 -2.973 0.332 362 HE1 TYR 35 HE1 TYR 35 8.784 -5.847 -3.138 363 HE2 TYR 35 HE2 TYR 35 7.773 -1.977 -1.705 364 HH TYR 35 HH TYR 35 8.634 -3.944 -4.432 365 QB TYR 35 QB TYR 35 6.765 -5.724 1.493 366 QR TYR 35 QR TYR 35 7.806 -4.410 -1.410 367 H VAL 36 HN VAL 36 4.991 -5.628 -2.014 368 HA VAL 36 HA VAL 36 5.481 -8.500 -2.615 369 HB VAL 36 HB VAL 36 3.056 -6.818 -3.211 370 1HG1 VAL 36 3HG1 VAL 36 3.915 -7.465 -5.467 371 2HG1 VAL 36 1HG1 VAL 36 3.957 -9.152 -4.958 372 3HG1 VAL 36 2HG1 VAL 36 2.420 -8.298 -5.073 373 1HG2 VAL 36 3HG2 VAL 36 3.531 -9.754 -2.564 374 2HG2 VAL 36 1HG2 VAL 36 3.037 -8.509 -1.421 375 3HG2 VAL 36 2HG2 VAL 36 1.951 -8.991 -2.717 376 QG1 VAL 36 QG1 VAL 36 3.431 -8.305 -5.166 377 QG2 VAL 36 QG2 VAL 36 2.840 -9.084 -2.234 378 QQG VAL 36 QQG VAL 36 3.135 -8.695 -3.700 379 H ASP 37 HN ASP 37 6.251 -8.829 -4.816 380 HA ASP 37 HA ASP 37 7.244 -6.360 -6.205 381 1HB ASP 37 2HB ASP 37 9.039 -7.458 -4.781 382 2HB ASP 37 3HB ASP 37 8.909 -8.864 -5.837 383 QB ASP 37 QB ASP 37 8.974 -8.161 -5.309 384 H ILE 38 HN ILE 38 7.097 -6.457 -8.350 385 HA ILE 38 HA ILE 38 5.315 -8.232 -9.598 386 HB ILE 38 HB ILE 38 6.072 -7.270 -11.718 387 1HG1 ILE 38 2HG1 ILE 38 8.204 -5.820 -10.137 388 2HG1 ILE 38 3HG1 ILE 38 8.530 -7.334 -10.969 389 1HG2 ILE 38 2HG2 ILE 38 4.569 -5.990 -10.191 390 2HG2 ILE 38 3HG2 ILE 38 5.974 -5.266 -9.417 391 3HG2 ILE 38 1HG2 ILE 38 5.613 -4.908 -11.102 392 1HD1 ILE 38 3HD1 ILE 38 7.710 -6.318 -13.096 393 2HD1 ILE 38 1HD1 ILE 38 7.474 -4.792 -12.250 394 3HD1 ILE 38 2HD1 ILE 38 9.095 -5.449 -12.450 395 QG1 ILE 38 QG1 ILE 38 8.367 -6.577 -10.553 396 QG2 ILE 38 QG2 ILE 38 5.386 -5.388 -10.237 397 QD1 ILE 38 QD1 ILE 38 8.093 -5.519 -12.599 398 NH1 ARG 39 NH2 ARG 39 11.909 -8.155 -7.969 399 NH2 ARG 39 NH1 ARG 39 14.132 -7.936 -8.214 400 H ARG 39 HN ARG 39 8.742 -8.742 -9.097 401 HA ARG 39 HA ARG 39 8.755 -10.945 -11.086 402 1HB ARG 39 2HB ARG 39 10.925 -10.309 -9.085 403 2HB ARG 39 3HB ARG 39 11.082 -11.218 -10.577 404 1HG ARG 39 2HG ARG 39 10.541 -9.176 -11.884 405 2HG ARG 39 3HG ARG 39 10.399 -8.261 -10.386 406 1HD ARG 39 2HD ARG 39 12.872 -9.427 -11.651 407 2HD ARG 39 3HD ARG 39 12.616 -7.813 -10.996 408 HE ARG 39 HE ARG 39 13.220 -10.250 -9.395 409 1HH1 ARG 39 2HH2 ARG 39 11.036 -8.554 -8.260 410 2HH1 ARG 39 1HH2 ARG 39 11.918 -7.482 -7.228 411 1HH2 ARG 39 1HH1 ARG 39 14.977 -8.189 -8.683 412 2HH2 ARG 39 2HH1 ARG 39 14.147 -7.259 -7.461 413 QB ARG 39 QB ARG 39 11.004 -10.764 -9.831 414 QG ARG 39 QG ARG 39 10.470 -8.719 -11.135 415 QD ARG 39 QD ARG 39 12.744 -8.620 -11.323 416 QH1 ARG 39 QH2 ARG 39 11.477 -8.018 -7.744 417 QH2 ARG 39 QH1 ARG 39 14.562 -7.724 -8.072 418 H ALA 40 HN ALA 40 7.983 -10.558 -7.811 419 HA ALA 40 HA ALA 40 8.778 -13.221 -6.891 420 1HB ALA 40 2HB ALA 40 8.452 -11.297 -5.311 421 2HB ALA 40 3HB ALA 40 6.745 -11.253 -5.745 422 3HB ALA 40 1HB ALA 40 7.404 -12.652 -4.904 423 QB ALA 40 QB ALA 40 7.534 -11.734 -5.320 424 H GLU 41 HN GLU 41 5.934 -11.570 -8.011 425 HA GLU 41 HA GLU 41 4.350 -14.059 -8.070 426 1HB GLU 41 2HB GLU 41 3.759 -11.281 -7.873 427 2HB GLU 41 3HB GLU 41 3.058 -11.820 -9.394 428 1HG GLU 41 2HG GLU 41 1.433 -12.136 -7.568 429 2HG GLU 41 3HG GLU 41 1.942 -13.708 -8.172 430 QB GLU 41 QB GLU 41 3.409 -11.551 -8.633 431 QG GLU 41 QG GLU 41 1.687 -12.922 -7.870 432 H GLY 42 HN GLY 42 5.774 -11.764 -10.405 433 1HA GLY 42 1HA GLY 42 6.785 -12.725 -12.461 434 2HA GLY 42 2HA GLY 42 5.490 -13.915 -12.478 435 QA GLY 42 QA GLY 42 6.138 -13.320 -12.470 436 H ILE 43 HN ILE 43 5.747 -10.375 -12.365 437 HA ILE 43 HA ILE 43 3.658 -10.277 -14.497 438 HB ILE 43 HB ILE 43 4.151 -8.189 -12.341 439 1HG1 ILE 43 2HG1 ILE 43 2.084 -10.420 -12.418 440 2HG1 ILE 43 3HG1 ILE 43 3.450 -10.346 -11.320 441 1HG2 ILE 43 2HG2 ILE 43 1.809 -8.684 -14.226 442 2HG2 ILE 43 3HG2 ILE 43 1.903 -7.403 -13.023 443 3HG2 ILE 43 1HG2 ILE 43 2.999 -7.396 -14.390 444 1HD1 ILE 43 1HD1 ILE 43 2.567 -8.211 -10.381 445 2HD1 ILE 43 2HD1 ILE 43 1.165 -8.345 -11.437 446 3HD1 ILE 43 3HD1 ILE 43 1.435 -9.541 -10.182 447 QG1 ILE 43 QG1 ILE 43 2.767 -10.383 -11.869 448 QG2 ILE 43 QG2 ILE 43 2.237 -7.828 -13.880 449 QD1 ILE 43 QD1 ILE 43 1.722 -8.699 -10.666 450 H THR 44 HN THR 44 3.798 -8.580 -16.001 451 HA THR 44 HA THR 44 6.571 -7.487 -16.330 452 HB THR 44 HB THR 44 6.019 -7.425 -18.785 453 HG1 THR 44 1HG THR 44 4.021 -8.251 -19.362 454 1HG2 THR 44 3HG2 THR 44 5.289 -10.098 -17.496 455 2HG2 THR 44 1HG2 THR 44 5.858 -9.863 -19.148 456 3HG2 THR 44 2HG2 THR 44 6.942 -9.569 -17.791 457 QG2 THR 44 QG2 THR 44 6.030 -9.843 -18.145 458 H LYS 45 HN LYS 45 5.730 -5.430 -18.253 459 HA LYS 45 HA LYS 45 4.217 -3.764 -16.283 460 1HB LYS 45 2HB LYS 45 5.183 -1.867 -17.213 461 2HB LYS 45 3HB LYS 45 6.468 -3.038 -17.292 462 1HG LYS 45 2HG LYS 45 6.565 -2.980 -19.548 463 2HG LYS 45 3HG LYS 45 4.822 -3.032 -19.732 464 1HD LYS 45 2HD LYS 45 6.159 -0.501 -18.746 465 2HD LYS 45 3HD LYS 45 6.143 -0.869 -20.461 466 1HE LYS 45 2HE LYS 45 4.203 0.453 -20.146 467 2HE LYS 45 3HE LYS 45 3.594 -1.191 -20.210 468 1HZ LYS 45 3HZ LYS 45 4.232 -0.497 -17.530 469 2HZ LYS 45 1HZ LYS 45 3.167 0.656 -18.175 470 3HZ LYS 45 2HZ LYS 45 2.760 -1.003 -18.197 471 QB LYS 45 QB LYS 45 5.825 -2.453 -17.253 472 QG LYS 45 QG LYS 45 5.694 -3.006 -19.640 473 QD LYS 45 QD LYS 45 6.151 -0.685 -19.603 474 QE LYS 45 QE LYS 45 3.898 -0.369 -20.178 475 QZ LYS 45 QZ LYS 45 3.386 -0.281 -17.967 476 H GLU 46 HN GLU 46 3.311 -5.782 -18.280 477 HA GLU 46 HA GLU 46 1.420 -4.163 -19.903 478 1HB GLU 46 2HB GLU 46 1.809 -7.167 -19.977 479 2HB GLU 46 3HB GLU 46 1.163 -6.131 -21.237 480 1HG GLU 46 2HG GLU 46 3.311 -5.209 -21.728 481 2HG GLU 46 3HG GLU 46 4.014 -5.827 -20.235 482 QB GLU 46 QB GLU 46 1.486 -6.649 -20.607 483 QG GLU 46 QG GLU 46 3.663 -5.518 -20.982 484 H ASP 47 HN ASP 47 1.222 -7.214 -18.040 485 HA ASP 47 HA ASP 47 -1.628 -7.231 -17.773 486 1HB ASP 47 2HB ASP 47 0.236 -9.044 -17.110 487 2HB ASP 47 3HB ASP 47 0.059 -8.309 -15.521 488 QB ASP 47 QB ASP 47 0.148 -8.676 -16.315 489 H LEU 48 HN LEU 48 0.881 -5.865 -15.650 490 HA LEU 48 HA LEU 48 -0.666 -5.057 -13.488 491 1HB LEU 48 2HB LEU 48 1.805 -4.071 -14.718 492 2HB LEU 48 3HB LEU 48 0.894 -2.792 -13.915 493 HG LEU 48 HG LEU 48 1.361 -5.476 -12.573 494 1HD1 LEU 48 1HD1 LEU 48 3.579 -4.479 -13.127 495 2HD1 LEU 48 2HD1 LEU 48 3.084 -2.999 -12.302 496 3HD1 LEU 48 3HD1 LEU 48 3.266 -4.492 -11.395 497 1HD2 LEU 48 3HD2 LEU 48 0.762 -2.674 -11.537 498 2HD2 LEU 48 1HD2 LEU 48 -0.401 -3.992 -11.642 499 3HD2 LEU 48 2HD2 LEU 48 0.961 -4.104 -10.531 500 QB LEU 48 QB LEU 48 1.349 -3.432 -14.317 501 QD1 LEU 48 QD1 LEU 48 3.309 -3.990 -12.275 502 QD2 LEU 48 QD2 LEU 48 0.440 -3.590 -11.236 503 QQD LEU 48 QQD LEU 48 1.875 -3.790 -11.756 504 H GLN 49 HN GLN 49 -0.620 -3.564 -16.705 505 HA GLN 49 HA GLN 49 -2.180 -1.253 -16.117 506 1HB GLN 49 2HB GLN 49 -2.164 -3.063 -18.566 507 2HB GLN 49 3HB GLN 49 -3.022 -1.526 -18.507 508 1HG GLN 49 2HG GLN 49 -0.093 -1.640 -17.772 509 2HG GLN 49 3HG GLN 49 -0.578 -1.541 -19.464 510 1HE2 GLN 49 2HE2 GLN 49 -0.885 1.742 -17.110 511 2HE2 GLN 49 1HE2 GLN 49 -0.118 0.334 -16.569 512 QB GLN 49 QB GLN 49 -2.593 -2.294 -18.537 513 QG GLN 49 QG GLN 49 -0.336 -1.590 -18.618 514 QE2 GLN 49 QE2 GLN 49 -0.501 1.038 -16.840 515 H GLN 50 HN GLN 50 -3.127 -4.552 -16.789 516 HA GLN 50 HA GLN 50 -5.988 -4.064 -16.521 517 1HB GLN 50 2HB GLN 50 -4.309 -6.594 -16.690 518 2HB GLN 50 3HB GLN 50 -6.058 -6.612 -16.637 519 1HG GLN 50 2HG GLN 50 -4.363 -5.231 -18.749 520 2HG GLN 50 3HG GLN 50 -5.287 -6.714 -18.970 521 1HE2 GLN 50 2HE2 GLN 50 -7.131 -3.154 -19.288 522 2HE2 GLN 50 1HE2 GLN 50 -5.458 -3.289 -19.060 523 QB GLN 50 QB GLN 50 -5.183 -6.603 -16.663 524 QG GLN 50 QG GLN 50 -4.825 -5.972 -18.859 525 QE2 GLN 50 QE2 GLN 50 -6.294 -3.221 -19.174 526 H LYS 51 HN LYS 51 -3.455 -5.393 -14.460 527 HA LYS 51 HA LYS 51 -5.216 -6.283 -12.376 528 1HB LYS 51 2HB LYS 51 -2.392 -5.343 -11.895 529 2HB LYS 51 3HB LYS 51 -3.264 -6.612 -11.082 530 1HG LYS 51 2HG LYS 51 -3.308 -7.583 -13.608 531 2HG LYS 51 3HG LYS 51 -1.834 -6.648 -13.688 532 1HD LYS 51 2HD LYS 51 -1.106 -8.782 -12.952 533 2HD LYS 51 3HD LYS 51 -1.141 -7.800 -11.489 534 1HE LYS 51 2HE LYS 51 -2.249 -10.031 -11.175 535 2HE LYS 51 3HE LYS 51 -3.363 -8.688 -10.908 536 1HZ LYS 51 2HZ LYS 51 -3.247 -9.418 -13.654 537 2HZ LYS 51 3HZ LYS 51 -3.683 -10.750 -12.701 538 3HZ LYS 51 1HZ LYS 51 -4.595 -9.318 -12.615 539 QB LYS 51 QB LYS 51 -2.828 -5.978 -11.489 540 QG LYS 51 QG LYS 51 -2.571 -7.116 -13.648 541 QD LYS 51 QD LYS 51 -1.123 -8.291 -12.220 542 QE LYS 51 QE LYS 51 -2.806 -9.359 -11.041 543 QZ LYS 51 QZ LYS 51 -3.842 -9.828 -12.990 544 H ALA 52 HN ALA 52 -3.540 -3.258 -12.946 545 HA ALA 52 HA ALA 52 -4.472 -2.067 -10.439 546 1HB ALA 52 2HB ALA 52 -2.888 -0.938 -12.778 547 2HB ALA 52 3HB ALA 52 -3.160 -0.102 -11.255 548 3HB ALA 52 1HB ALA 52 -2.208 -1.579 -11.286 549 QB ALA 52 QB ALA 52 -2.752 -0.873 -11.773 550 H GLY 53 HN GLY 53 -4.969 -1.525 -13.933 551 1HA GLY 53 1HA GLY 53 -7.027 -0.803 -14.928 552 2HA GLY 53 2HA GLY 53 -7.644 -0.406 -13.324 553 QA GLY 53 QA GLY 53 -7.336 -0.604 -14.126 554 H LYS 54 HN LYS 54 -4.490 0.685 -13.918 555 HA LYS 54 HA LYS 54 -5.480 3.438 -14.455 556 1HB LYS 54 2HB LYS 54 -4.427 2.655 -12.159 557 2HB LYS 54 3HB LYS 54 -2.906 2.741 -13.027 558 1HG LYS 54 2HG LYS 54 -2.910 4.998 -13.085 559 2HG LYS 54 3HG LYS 54 -4.646 5.124 -13.315 560 1HD LYS 54 2HD LYS 54 -5.078 4.704 -10.972 561 2HD LYS 54 3HD LYS 54 -3.396 4.292 -10.675 562 1HE LYS 54 2HE LYS 54 -3.923 7.014 -11.804 563 2HE LYS 54 3HE LYS 54 -4.424 6.743 -10.142 564 1HZ LYS 54 1HZ LYS 54 -1.887 5.640 -10.407 565 2HZ LYS 54 2HZ LYS 54 -1.824 7.132 -11.175 566 3HZ LYS 54 3HZ LYS 54 -2.327 7.058 -9.542 567 QB LYS 54 QB LYS 54 -3.667 2.698 -12.593 568 QG LYS 54 QG LYS 54 -3.778 5.061 -13.200 569 QD LYS 54 QD LYS 54 -4.237 4.498 -10.824 570 QE LYS 54 QE LYS 54 -4.173 6.878 -10.973 571 QZ LYS 54 QZ LYS 54 -2.013 6.610 -10.375 572 HA PRO 55 HA PRO 55 -3.314 2.724 -18.114 573 1HB PRO 55 2HB PRO 55 -3.217 5.239 -19.203 574 2HB PRO 55 3HB PRO 55 -4.734 4.354 -18.983 575 1HG PRO 55 2HG PRO 55 -3.575 6.589 -17.320 576 2HG PRO 55 3HG PRO 55 -5.267 6.271 -17.727 577 1HD PRO 55 2HD PRO 55 -4.062 5.600 -15.290 578 2HD PRO 55 3HD PRO 55 -5.548 4.853 -15.920 579 QB PRO 55 QB PRO 55 -3.975 4.796 -19.093 580 QG PRO 55 QG PRO 55 -4.421 6.430 -17.524 581 QD PRO 55 QD PRO 55 -4.805 5.226 -15.605 582 H VAL 56 HN VAL 56 -1.286 2.603 -18.996 583 HA VAL 56 HA VAL 56 0.991 2.905 -19.307 584 HB VAL 56 HB VAL 56 0.573 5.591 -18.055 585 1HG1 VAL 56 3HG1 VAL 56 2.779 4.546 -19.853 586 2HG1 VAL 56 1HG1 VAL 56 2.617 6.209 -19.303 587 3HG1 VAL 56 2HG1 VAL 56 2.945 4.931 -18.143 588 1HG2 VAL 56 2HG2 VAL 56 -0.893 5.229 -20.013 589 2HG2 VAL 56 3HG2 VAL 56 0.373 6.391 -20.391 590 3HG2 VAL 56 1HG2 VAL 56 0.499 4.730 -20.967 591 QG1 VAL 56 QG1 VAL 56 2.781 5.228 -19.100 592 QG2 VAL 56 QG2 VAL 56 -0.007 5.450 -20.457 593 QQG VAL 56 QQG VAL 56 1.387 5.339 -19.778 594 H GLU 57 HN GLU 57 0.465 4.549 -16.145 595 HA GLU 57 HA GLU 57 2.927 3.862 -15.018 596 1HB GLU 57 2HB GLU 57 1.867 4.084 -12.773 597 2HB GLU 57 3HB GLU 57 1.483 5.410 -13.848 598 1HG GLU 57 2HG GLU 57 -0.740 4.422 -14.293 599 2HG GLU 57 3HG GLU 57 -0.345 3.056 -13.251 600 QB GLU 57 QB GLU 57 1.675 4.747 -13.310 601 QG GLU 57 QG GLU 57 -0.543 3.739 -13.772 602 H THR 58 HN THR 58 3.742 2.215 -13.781 603 HA THR 58 HA THR 58 2.259 -0.370 -14.020 604 HB THR 58 HB THR 58 5.295 -0.020 -14.163 605 HG1 THR 58 1HG THR 58 3.382 0.700 -15.854 606 1HG2 THR 58 3HG2 THR 58 3.416 -2.241 -15.096 607 2HG2 THR 58 1HG2 THR 58 5.176 -2.249 -15.206 608 3HG2 THR 58 2HG2 THR 58 4.398 -2.327 -13.637 609 QG2 THR 58 QG2 THR 58 4.330 -2.272 -14.646 610 H VAL 59 HN VAL 59 5.149 0.841 -12.289 611 HA VAL 59 HA VAL 59 3.942 -0.212 -9.792 612 HB VAL 59 HB VAL 59 6.377 -0.857 -9.168 613 1HG1 VAL 59 1HG1 VAL 59 4.582 -2.511 -9.658 614 2HG1 VAL 59 2HG1 VAL 59 4.968 -2.399 -11.371 615 3HG1 VAL 59 3HG1 VAL 59 6.149 -3.059 -10.242 616 1HG2 VAL 59 1HG2 VAL 59 6.629 -0.704 -12.191 617 2HG2 VAL 59 2HG2 VAL 59 7.464 0.335 -11.038 618 3HG2 VAL 59 3HG2 VAL 59 7.825 -1.388 -11.097 619 QG1 VAL 59 QG1 VAL 59 5.233 -2.656 -10.424 620 QG2 VAL 59 QG2 VAL 59 7.306 -0.586 -11.442 621 QQG VAL 59 QQG VAL 59 6.270 -1.621 -10.933 622 HA PRO 60 HA PRO 60 4.713 -0.470 -7.909 623 1HB PRO 60 2HB PRO 60 4.470 0.705 -5.359 624 2HB PRO 60 3HB PRO 60 5.909 -0.099 -5.977 625 1HG PRO 60 2HG PRO 60 5.573 2.690 -5.416 626 2HG PRO 60 3HG PRO 60 7.006 1.906 -6.092 627 1HD PRO 60 2HD PRO 60 4.886 3.460 -7.495 628 2HD PRO 60 3HD PRO 60 6.540 3.078 -8.033 629 QB PRO 60 QB PRO 60 5.190 0.303 -5.668 630 QG PRO 60 QG PRO 60 6.290 2.298 -5.754 631 QD PRO 60 QD PRO 60 5.713 3.269 -7.764 632 H GLN 61 HN GLN 61 2.631 -1.190 -7.420 633 HA GLN 61 HA GLN 61 0.536 0.961 -7.261 634 1HB GLN 61 2HB GLN 61 0.313 -1.855 -8.388 635 2HB GLN 61 3HB GLN 61 -1.013 -0.697 -8.291 636 1HG GLN 61 2HG GLN 61 1.590 -0.052 -9.698 637 2HG GLN 61 3HG GLN 61 0.240 -0.800 -10.537 638 1HE2 GLN 61 2HE2 GLN 61 0.141 3.159 -9.853 639 2HE2 GLN 61 1HE2 GLN 61 1.499 2.223 -9.420 640 QB GLN 61 QB GLN 61 -0.350 -1.276 -8.339 641 QG GLN 61 QG GLN 61 0.915 -0.426 -10.118 642 QE2 GLN 61 QE2 GLN 61 0.820 2.691 -9.637 643 H ILE 62 HN ILE 62 -0.956 0.830 -5.662 644 HA ILE 62 HA ILE 62 -0.460 -1.277 -3.613 645 HB ILE 62 HB ILE 62 -1.536 1.553 -3.288 646 1HG1 ILE 62 2HG1 ILE 62 0.508 1.603 -1.671 647 2HG1 ILE 62 3HG1 ILE 62 1.036 0.156 -2.516 648 1HG2 ILE 62 2HG2 ILE 62 -1.181 -0.665 -1.229 649 2HG2 ILE 62 3HG2 ILE 62 -1.587 1.008 -0.849 650 3HG2 ILE 62 1HG2 ILE 62 -2.715 0.019 -1.764 651 1HD1 ILE 62 3HD1 ILE 62 0.424 2.815 -3.845 652 2HD1 ILE 62 1HD1 ILE 62 2.037 2.201 -3.488 653 3HD1 ILE 62 2HD1 ILE 62 1.022 1.375 -4.655 654 QG1 ILE 62 QG1 ILE 62 0.772 0.880 -2.093 655 QG2 ILE 62 QG2 ILE 62 -1.828 0.121 -1.281 656 QD1 ILE 62 QD1 ILE 62 1.161 2.130 -3.996 657 H PHE 63 HN PHE 63 -2.049 -2.391 -2.895 658 HA PHE 63 HA PHE 63 -4.801 -1.995 -4.034 659 1HB PHE 63 2HB PHE 63 -3.264 -4.561 -3.427 660 2HB PHE 63 3HB PHE 63 -4.998 -4.536 -3.729 661 HD1 PHE 63 2HD PHE 63 -1.816 -3.248 -5.280 662 HD2 PHE 63 1HD PHE 63 -5.702 -4.865 -5.946 663 HE1 PHE 63 2HE PHE 63 -1.435 -3.172 -7.690 664 HE2 PHE 63 1HE PHE 63 -5.314 -4.785 -8.377 665 HZ PHE 63 HZ PHE 63 -3.213 -3.861 -9.248 666 QB PHE 63 QB PHE 63 -4.131 -4.548 -3.578 667 QR PHE 63 QR PHE 63 -3.567 -4.018 -6.823 668 H VAL 64 HN VAL 64 -6.207 -1.515 -2.388 669 HA VAL 64 HA VAL 64 -5.108 -2.025 0.345 670 HB VAL 64 HB VAL 64 -7.117 -0.020 -0.693 671 1HG1 VAL 64 2HG1 VAL 64 -6.388 -0.624 2.203 672 2HG1 VAL 64 3HG1 VAL 64 -7.358 0.737 1.652 673 3HG1 VAL 64 1HG1 VAL 64 -7.971 -0.893 1.483 674 1HG2 VAL 64 2HG2 VAL 64 -4.620 0.389 -0.824 675 2HG2 VAL 64 3HG2 VAL 64 -5.451 1.539 0.226 676 3HG2 VAL 64 1HG2 VAL 64 -4.543 0.197 0.923 677 QG1 VAL 64 QG1 VAL 64 -7.239 -0.260 1.779 678 QG2 VAL 64 QG2 VAL 64 -4.871 0.708 0.108 679 QQG VAL 64 QQG VAL 64 -6.055 0.224 0.944 680 H ASP 65 HN ASP 65 -5.602 -4.197 0.285 681 HA ASP 65 HA ASP 65 -6.818 -5.956 1.211 682 1HB ASP 65 2HB ASP 65 -7.798 -3.969 2.582 683 2HB ASP 65 3HB ASP 65 -9.194 -4.119 1.540 684 QB ASP 65 QB ASP 65 -8.496 -4.044 2.061 685 H GLN 66 HN GLN 66 -9.142 -3.970 -0.526 686 HA GLN 66 HA GLN 66 -10.073 -6.414 -1.902 687 1HB GLN 66 2HB GLN 66 -12.079 -4.798 -2.444 688 2HB GLN 66 3HB GLN 66 -11.930 -5.514 -0.847 689 1HG GLN 66 2HG GLN 66 -11.098 -3.497 0.113 690 2HG GLN 66 3HG GLN 66 -10.726 -2.795 -1.456 691 1HE2 GLN 66 2HE2 GLN 66 -13.880 -1.228 -1.554 692 2HE2 GLN 66 1HE2 GLN 66 -12.218 -1.134 -1.882 693 QB GLN 66 QB GLN 66 -12.004 -5.156 -1.645 694 QG GLN 66 QG GLN 66 -10.912 -3.146 -0.671 695 QE2 GLN 66 QE2 GLN 66 -13.049 -1.181 -1.718 696 H GLN 67 HN GLN 67 -9.626 -2.944 -2.841 697 HA GLN 67 HA GLN 67 -9.252 -3.961 -5.606 698 1HB GLN 67 2HB GLN 67 -10.285 -1.905 -6.330 699 2HB GLN 67 3HB GLN 67 -11.335 -2.651 -5.161 700 1HG GLN 67 2HG GLN 67 -10.664 -1.099 -3.448 701 2HG GLN 67 3HG GLN 67 -9.318 -0.502 -4.415 702 1HE2 GLN 67 2HE2 GLN 67 -11.274 1.788 -6.228 703 2HE2 GLN 67 1HE2 GLN 67 -9.735 1.090 -5.988 704 QB GLN 67 QB GLN 67 -10.810 -2.278 -5.746 705 QG GLN 67 QG GLN 67 -9.991 -0.801 -3.931 706 QE2 GLN 67 QE2 GLN 67 -10.504 1.439 -6.108 707 H HIS 68 HN HIS 68 -8.229 -2.259 -7.029 708 HA HIS 68 HA HIS 68 -5.562 -1.669 -5.993 709 1HB HIS 68 2HB HIS 68 -5.773 -2.343 -8.308 710 2HB HIS 68 3HB HIS 68 -6.925 -1.071 -8.626 711 HD1 HIS 68 HD1 HIS 68 -5.789 0.551 -9.993 712 HD2 HIS 68 HD2 HIS 68 -3.215 -0.796 -7.080 713 HE1 HIS 68 HE1 HIS 68 -3.718 1.984 -10.136 714 QB HIS 68 QB HIS 68 -6.349 -1.707 -8.467 715 H ILE 69 HN ILE 69 -4.765 0.434 -5.613 716 HA ILE 69 HA ILE 69 -6.873 2.547 -5.377 717 HB ILE 69 HB ILE 69 -4.363 2.198 -3.704 718 1HG1 ILE 69 2HG1 ILE 69 -5.812 0.251 -3.353 719 2HG1 ILE 69 3HG1 ILE 69 -5.883 1.309 -1.962 720 1HG2 ILE 69 3HG2 ILE 69 -6.873 3.855 -3.282 721 2HG2 ILE 69 1HG2 ILE 69 -5.553 3.699 -2.130 722 3HG2 ILE 69 2HG2 ILE 69 -5.280 4.473 -3.687 723 1HD1 ILE 69 3HD1 ILE 69 -7.974 1.218 -4.148 724 2HD1 ILE 69 1HD1 ILE 69 -8.134 0.501 -2.555 725 3HD1 ILE 69 2HD1 ILE 69 -8.021 2.246 -2.725 726 QG1 ILE 69 QG1 ILE 69 -5.847 0.780 -2.658 727 QG2 ILE 69 QG2 ILE 69 -5.902 4.009 -3.033 728 QD1 ILE 69 QD1 ILE 69 -8.043 1.322 -3.143 729 H GLY 70 HN GLY 70 -3.616 1.852 -6.395 730 1HA GLY 70 1HA GLY 70 -3.075 3.345 -8.470 731 2HA GLY 70 2HA GLY 70 -3.302 4.670 -7.339 732 QA GLY 70 QA GLY 70 -3.189 4.007 -7.905 733 H GLY 71 HN GLY 71 -1.088 5.291 -7.648 734 1HA GLY 71 1HA GLY 71 0.949 3.329 -6.711 735 2HA GLY 71 2HA GLY 71 1.297 4.822 -7.575 736 QA GLY 71 QA GLY 71 1.123 4.076 -7.143 737 OH TYR 72 OH TYR 72 4.466 8.832 1.447 738 H TYR 72 HN TYR 72 2.848 4.899 -5.645 739 HA TYR 72 HA TYR 72 1.992 5.299 -3.005 740 1HB TYR 72 2HB TYR 72 4.405 5.252 -3.591 741 2HB TYR 72 3HB TYR 72 4.247 6.825 -4.370 742 HD1 TYR 72 HD2 TYR 72 2.853 5.477 -1.145 743 HD2 TYR 72 HD1 TYR 72 5.274 8.452 -3.001 744 HE1 TYR 72 HE2 TYR 72 3.111 6.617 1.011 745 HE2 TYR 72 HE1 TYR 72 5.490 9.606 -0.853 746 HH TYR 72 HH TYR 72 3.855 9.583 1.458 747 QB TYR 72 QB TYR 72 4.326 6.039 -3.981 748 QR TYR 72 QR TYR 72 4.182 7.538 -0.997 749 H THR 73 HN THR 73 1.918 7.602 -5.701 750 HA THR 73 HA THR 73 1.291 9.887 -4.052 751 HB THR 73 HB THR 73 0.243 10.672 -6.385 752 HG1 THR 73 1HG THR 73 -0.057 8.844 -7.518 753 1HG2 THR 73 1HG2 THR 73 3.120 9.625 -6.368 754 2HG2 THR 73 2HG2 THR 73 2.482 10.856 -7.449 755 3HG2 THR 73 3HG2 THR 73 2.648 11.193 -5.729 756 QG2 THR 73 QG2 THR 73 2.750 10.558 -6.515 757 H ASP 74 HN ASP 74 -0.824 7.916 -6.117 758 HA ASP 74 HA ASP 74 -3.278 9.000 -5.222 759 1HB ASP 74 2HB ASP 74 -2.907 6.099 -5.967 760 2HB ASP 74 3HB ASP 74 -4.334 7.098 -6.212 761 QB ASP 74 QB ASP 74 -3.620 6.599 -6.089 762 H PHE 75 HN PHE 75 -1.555 6.119 -4.034 763 HA PHE 75 HA PHE 75 -3.437 5.495 -1.979 764 1HB PHE 75 2HB PHE 75 -1.674 3.910 -2.680 765 2HB PHE 75 3HB PHE 75 -0.436 4.993 -2.056 766 HD1 PHE 75 2HD PHE 75 -3.489 3.104 -0.972 767 HD2 PHE 75 1HD PHE 75 0.212 4.826 0.219 768 HE1 PHE 75 2HE PHE 75 -3.705 2.066 1.250 769 HE2 PHE 75 1HE PHE 75 -0.026 3.808 2.438 770 HZ PHE 75 HZ PHE 75 -1.980 2.403 2.943 771 QB PHE 75 QB PHE 75 -1.055 4.451 -2.368 772 QR PHE 75 QR PHE 75 -1.752 3.451 0.734 773 H ALA 76 HN ALA 76 -0.487 7.465 -1.952 774 HA ALA 76 HA ALA 76 -0.538 8.157 0.802 775 1HB ALA 76 2HB ALA 76 0.388 9.818 -1.582 776 2HB ALA 76 3HB ALA 76 0.807 10.151 0.097 777 3HB ALA 76 1HB ALA 76 1.376 8.677 -0.678 778 QB ALA 76 QB ALA 76 0.857 9.549 -0.721 779 H ALA 77 HN ALA 77 -1.872 10.017 -1.937 780 HA ALA 77 HA ALA 77 -3.172 11.974 -0.253 781 1HB ALA 77 1HB ALA 77 -3.908 11.074 -3.068 782 2HB ALA 77 2HB ALA 77 -4.514 12.525 -2.270 783 3HB ALA 77 3HB ALA 77 -2.806 12.387 -2.667 784 QB ALA 77 QB ALA 77 -3.743 11.995 -2.668 785 CH2 TRP 78 CH2 TRP 78 -7.341 3.376 1.519 786 H TRP 78 HN TRP 78 -4.522 9.270 -2.078 787 HA TRP 78 HA TRP 78 -7.141 9.186 -1.219 788 1HB TRP 78 2HB TRP 78 -6.249 7.587 -2.795 789 2HB TRP 78 3HB TRP 78 -5.138 6.963 -1.620 790 HD1 TRP 78 HD1 TRP 78 -8.773 6.581 -2.759 791 HE1 TRP 78 HE1 TRP 78 -9.880 4.766 -1.454 792 HE3 TRP 78 HE3 TRP 78 -5.028 5.572 0.360 793 HZ2 TRP 78 HZ2 TRP 78 -9.300 3.086 0.711 794 HZ3 TRP 78 HZ3 TRP 78 -5.353 3.865 2.123 795 HH2 TRP 78 HH2 TRP 78 -7.467 2.642 2.300 796 QB TRP 78 QB TRP 78 -5.693 7.275 -2.208 797 H VAL 79 HN VAL 79 -4.443 7.549 0.417 798 HA VAL 79 HA VAL 79 -5.620 6.592 2.722 799 HB VAL 79 HB VAL 79 -2.934 7.846 2.170 800 1HG1 VAL 79 3HG1 VAL 79 -3.871 7.023 4.940 801 2HG1 VAL 79 1HG1 VAL 79 -2.205 7.370 4.501 802 3HG1 VAL 79 2HG1 VAL 79 -3.411 8.644 4.446 803 1HG2 VAL 79 3HG2 VAL 79 -3.817 5.125 3.185 804 2HG2 VAL 79 1HG2 VAL 79 -3.308 5.503 1.548 805 3HG2 VAL 79 2HG2 VAL 79 -2.151 5.587 2.863 806 QG1 VAL 79 QG1 VAL 79 -3.162 7.679 4.629 807 QG2 VAL 79 QG2 VAL 79 -3.092 5.405 2.532 808 QQG VAL 79 QQG VAL 79 -3.127 6.542 3.580 809 H LYS 80 HN LYS 80 -4.358 9.832 2.174 810 HA LYS 80 HA LYS 80 -5.275 10.952 4.592 811 1HB LYS 80 2HB LYS 80 -3.901 11.840 2.351 812 2HB LYS 80 3HB LYS 80 -5.363 12.789 2.284 813 1HG LYS 80 2HG LYS 80 -4.224 12.654 5.001 814 2HG LYS 80 3HG LYS 80 -3.104 13.325 3.837 815 1HD LYS 80 2HD LYS 80 -4.226 15.241 4.534 816 2HD LYS 80 3HD LYS 80 -5.138 14.819 3.097 817 1HE LYS 80 2HE LYS 80 -5.991 13.763 5.794 818 2HE LYS 80 3HE LYS 80 -6.418 15.393 5.311 819 1HZ LYS 80 2HZ LYS 80 -7.000 13.752 3.159 820 2HZ LYS 80 3HZ LYS 80 -7.615 12.965 4.542 821 3HZ LYS 80 1HZ LYS 80 -8.087 14.563 4.168 822 QB LYS 80 QB LYS 80 -4.632 12.314 2.318 823 QG LYS 80 QG LYS 80 -3.664 12.990 4.419 824 QD LYS 80 QD LYS 80 -4.682 15.030 3.816 825 QE LYS 80 QE LYS 80 -6.204 14.578 5.552 826 QZ LYS 80 QZ LYS 80 -7.567 13.760 3.956 827 H GLU 81 HN GLU 81 -6.824 11.278 1.390 828 HA GLU 81 HA GLU 81 -9.289 12.294 2.610 829 1HB GLU 81 2HB GLU 81 -8.395 11.664 -0.196 830 2HB GLU 81 3HB GLU 81 -10.102 11.937 0.125 831 1HG GLU 81 2HG GLU 81 -9.049 14.056 -0.492 832 2HG GLU 81 3HG GLU 81 -9.529 14.119 1.197 833 QB GLU 81 QB GLU 81 -9.249 11.800 -0.036 834 QG GLU 81 QG GLU 81 -9.289 14.087 0.353 835 H ASN 82 HN ASN 82 -8.504 9.601 3.377 836 HA ASN 82 HA ASN 82 -11.147 8.328 2.943 837 1HB ASN 82 2HB ASN 82 -8.478 7.045 2.318 838 2HB ASN 82 3HB ASN 82 -9.880 6.068 2.735 839 1HD2 ASN 82 2HD2 ASN 82 -9.890 8.175 -0.770 840 2HD2 ASN 82 1HD2 ASN 82 -8.895 8.668 0.509 841 QB ASN 82 QB ASN 82 -9.179 6.557 2.527 842 QD2 ASN 82 QD2 ASN 82 -9.392 8.422 -0.130 843 H LEU 83 HN LEU 83 -8.078 8.283 4.689 844 HA LEU 83 HA LEU 83 -9.403 6.809 6.884 845 1HB LEU 83 2HB LEU 83 -6.500 7.660 6.602 846 2HB LEU 83 3HB LEU 83 -7.143 6.519 7.774 847 HG LEU 83 HG LEU 83 -7.084 6.171 4.755 848 1HD1 LEU 83 1HD1 LEU 83 -5.805 4.631 7.025 849 2HD1 LEU 83 2HD1 LEU 83 -5.690 4.212 5.316 850 3HD1 LEU 83 3HD1 LEU 83 -4.973 5.704 5.906 851 1HD2 LEU 83 1HD2 LEU 83 -8.317 4.385 6.887 852 2HD2 LEU 83 2HD2 LEU 83 -9.193 5.237 5.619 853 3HD2 LEU 83 3HD2 LEU 83 -8.091 3.932 5.202 854 QB LEU 83 QB LEU 83 -6.821 7.090 7.188 855 QD1 LEU 83 QD1 LEU 83 -5.489 4.849 6.082 856 QD2 LEU 83 QD2 LEU 83 -8.534 4.518 5.903 857 QQD LEU 83 QQD LEU 83 -7.012 4.683 5.993 858 H ASP 84 HN ASP 84 -8.274 10.028 6.127 859 HA ASP 84 HA ASP 84 -8.641 10.901 8.964 860 1HB ASP 84 2HB ASP 84 -7.902 12.556 6.527 861 2HB ASP 84 3HB ASP 84 -7.828 13.084 8.199 862 QB ASP 84 QB ASP 84 -7.865 12.820 7.363 863 H ALA 85 HN ALA 85 -9.864 11.346 5.737 864 HA ALA 85 HA ALA 85 -12.430 12.387 6.846 865 1HB ALA 85 1HB ALA 85 -11.214 14.161 5.575 866 2HB ALA 85 2HB ALA 85 -11.144 13.091 4.179 867 3HB ALA 85 3HB ALA 85 -12.699 13.684 4.754 868 QB ALA 85 QB ALA 85 -11.685 13.645 4.836 Start of MODEL 12 Raw file had 868 H/Q atoms Start of MODEL 12 1 H MET 1 HN MET 1 -8.269 -3.149 8.232 2 HA MET 1 HA MET 1 -9.276 -2.551 5.661 3 1HB MET 1 2HB MET 1 -9.061 -0.185 6.327 4 2HB MET 1 3HB MET 1 -7.410 -0.461 6.864 5 1HG MET 1 2HG MET 1 -6.642 -0.832 4.648 6 2HG MET 1 3HG MET 1 -8.262 -1.053 4.038 7 1HE MET 1 1HE MET 1 -10.057 0.861 4.045 8 2HE MET 1 2HE MET 1 -9.543 2.142 2.951 9 3HE MET 1 3HE MET 1 -9.256 0.456 2.522 10 QB MET 1 QB MET 1 -8.236 -0.323 6.596 11 QG MET 1 QG MET 1 -7.452 -0.943 4.343 12 QE MET 1 QE MET 1 -9.618 1.153 3.173 13 H GLN 2 HN GLN 2 -7.623 -3.082 4.059 14 HA GLN 2 HA GLN 2 -5.127 -4.255 5.186 15 1HB GLN 2 2HB GLN 2 -6.940 -5.490 3.083 16 2HB GLN 2 3HB GLN 2 -5.448 -6.181 3.691 17 1HG GLN 2 2HG GLN 2 -6.463 -6.230 5.994 18 2HG GLN 2 3HG GLN 2 -7.976 -5.662 5.294 19 1HE2 GLN 2 1HE2 GLN 2 -8.898 -8.863 4.181 20 2HE2 GLN 2 2HE2 GLN 2 -9.354 -7.254 4.456 21 QB GLN 2 QB GLN 2 -6.194 -5.836 3.387 22 QG GLN 2 QG GLN 2 -7.219 -5.946 5.644 23 QE2 GLN 2 QE2 GLN 2 -9.126 -8.058 4.318 24 H THR 3 HN THR 3 -3.309 -4.104 3.685 25 HA THR 3 HA THR 3 -3.943 -2.820 1.061 26 HB THR 3 HB THR 3 -1.987 -1.797 3.161 27 HG1 THR 3 1HG THR 3 -4.536 -1.336 2.329 28 1HG2 THR 3 1HG2 THR 3 -1.024 -1.585 0.799 29 2HG2 THR 3 2HG2 THR 3 -2.501 -0.738 0.337 30 3HG2 THR 3 3HG2 THR 3 -1.419 -0.037 1.533 31 QG2 THR 3 QG2 THR 3 -1.648 -0.787 0.890 32 H VAL 4 HN VAL 4 -2.725 -3.443 -0.657 33 HA VAL 4 HA VAL 4 -0.331 -5.213 -0.140 34 HB VAL 4 HB VAL 4 -2.295 -5.454 -2.449 35 1HG1 VAL 4 3HG1 VAL 4 0.029 -7.195 -1.507 36 2HG1 VAL 4 1HG1 VAL 4 -1.030 -7.565 -2.863 37 3HG1 VAL 4 2HG1 VAL 4 0.040 -6.172 -2.939 38 1HG2 VAL 4 2HG2 VAL 4 -3.324 -6.165 -0.298 39 2HG2 VAL 4 3HG2 VAL 4 -3.020 -7.549 -1.342 40 3HG2 VAL 4 1HG2 VAL 4 -1.945 -7.211 0.012 41 QG1 VAL 4 QG1 VAL 4 -0.320 -6.977 -2.436 42 QG2 VAL 4 QG2 VAL 4 -2.763 -6.975 -0.543 43 QQG VAL 4 QQG VAL 4 -1.542 -6.976 -1.490 44 H ILE 5 HN ILE 5 1.463 -4.598 -1.092 45 HA ILE 5 HA ILE 5 1.337 -2.382 -3.110 46 HB ILE 5 HB ILE 5 3.767 -3.228 -1.506 47 1HG1 ILE 5 2HG1 ILE 5 2.067 -2.631 0.149 48 2HG1 ILE 5 3HG1 ILE 5 3.287 -1.374 0.066 49 1HG2 ILE 5 2HG2 ILE 5 3.023 -0.673 -2.972 50 2HG2 ILE 5 3HG2 ILE 5 4.510 -0.911 -2.053 51 3HG2 ILE 5 1HG2 ILE 5 4.196 -1.874 -3.496 52 1HD1 ILE 5 1HD1 ILE 5 1.787 -0.032 -1.397 53 2HD1 ILE 5 2HD1 ILE 5 0.566 -1.284 -1.255 54 3HD1 ILE 5 3HD1 ILE 5 1.058 -0.371 0.167 55 QG1 ILE 5 QG1 ILE 5 2.677 -2.003 0.108 56 QG2 ILE 5 QG2 ILE 5 3.910 -1.153 -2.840 57 QD1 ILE 5 QD1 ILE 5 1.137 -0.562 -0.828 58 H PHE 6 HN PHE 6 2.025 -2.868 -5.148 59 HA PHE 6 HA PHE 6 3.441 -5.462 -5.580 60 1HB PHE 6 2HB PHE 6 1.570 -3.841 -7.344 61 2HB PHE 6 3HB PHE 6 2.608 -5.090 -8.009 62 HD1 PHE 6 2HD PHE 6 0.026 -4.601 -5.318 63 HD2 PHE 6 1HD PHE 6 1.843 -7.304 -8.062 64 HE1 PHE 6 2HE PHE 6 -1.660 -6.302 -4.767 65 HE2 PHE 6 1HE PHE 6 0.130 -8.981 -7.555 66 HZ PHE 6 HZ PHE 6 -1.623 -8.491 -5.899 67 QB PHE 6 QB PHE 6 2.089 -4.465 -7.676 68 QR PHE 6 QR PHE 6 0.085 -6.797 -6.426 69 H GLY 7 HN GLY 7 5.369 -4.167 -4.946 70 1HA GLY 7 1HA GLY 7 6.453 -2.755 -7.362 71 2HA GLY 7 2HA GLY 7 6.642 -2.014 -5.767 72 QA GLY 7 QA GLY 7 6.548 -2.385 -6.565 73 NH1 ARG 8 NH1 ARG 8 15.525 -2.668 -6.780 74 NH2 ARG 8 NH2 ARG 8 15.963 -3.920 -8.634 75 H ARG 8 HN ARG 8 9.014 -2.311 -6.127 76 HA ARG 8 HA ARG 8 9.697 -5.130 -5.423 77 1HB ARG 8 2HB ARG 8 11.769 -5.066 -6.652 78 2HB ARG 8 3HB ARG 8 10.445 -4.704 -7.738 79 1HG ARG 8 2HG ARG 8 10.985 -2.377 -7.800 80 2HG ARG 8 3HG ARG 8 12.110 -2.523 -6.457 81 1HD ARG 8 2HD ARG 8 12.470 -3.933 -9.128 82 2HD ARG 8 3HD ARG 8 13.202 -2.379 -8.737 83 HE ARG 8 HE ARG 8 13.780 -4.835 -7.104 84 1HH1 ARG 8 2HH1 ARG 8 14.861 -2.390 -6.079 85 2HH1 ARG 8 1HH1 ARG 8 16.446 -2.276 -6.783 86 1HH2 ARG 8 2HH2 ARG 8 15.637 -4.588 -9.298 87 2HH2 ARG 8 1HH2 ARG 8 16.891 -3.552 -8.716 88 QB ARG 8 QB ARG 8 11.107 -4.885 -7.195 89 QG ARG 8 QG ARG 8 11.547 -2.450 -7.128 90 QD ARG 8 QD ARG 8 12.836 -3.156 -8.933 91 QH1 ARG 8 QH1 ARG 8 15.654 -2.333 -6.431 92 QH2 ARG 8 QH2 ARG 8 16.264 -4.070 -9.007 93 H SER 9 HN SER 9 11.143 -5.443 -3.930 94 HA SER 9 HA SER 9 11.436 -3.549 -1.831 95 1HB SER 9 2HB SER 9 12.986 -6.129 -2.349 96 2HB SER 9 3HB SER 9 12.758 -5.334 -0.779 97 HG SER 9 HG SER 9 10.812 -6.529 -2.485 98 QB SER 9 QB SER 9 12.872 -5.732 -1.564 99 H GLY 10 HN GLY 10 12.310 -1.808 -3.180 100 1HA GLY 10 1HA GLY 10 14.836 -0.969 -2.694 101 2HA GLY 10 2HA GLY 10 15.125 -2.064 -4.034 102 QA GLY 10 QA GLY 10 14.980 -1.516 -3.364 103 H CYS 11 HN CYS 11 12.073 -0.571 -4.274 104 HA CYS 11 HA CYS 11 13.202 1.556 -6.047 105 1HB CYS 11 2HB CYS 11 10.795 1.387 -7.064 106 2HB CYS 11 3HB CYS 11 12.040 0.266 -7.548 107 QB CYS 11 QB CYS 11 11.418 0.826 -7.306 108 HA PRO 12 HA PRO 12 11.946 4.348 -2.950 109 1HB PRO 12 2HB PRO 12 11.105 6.143 -5.206 110 2HB PRO 12 3HB PRO 12 12.176 6.482 -3.843 111 1HG PRO 12 2HG PRO 12 13.117 5.975 -6.374 112 2HG PRO 12 3HG PRO 12 14.038 5.579 -4.922 113 1HD PRO 12 2HD PRO 12 12.649 3.745 -6.805 114 2HD PRO 12 3HD PRO 12 13.947 3.394 -5.645 115 QB PRO 12 QB PRO 12 11.641 6.313 -4.524 116 QG PRO 12 QG PRO 12 13.578 5.777 -5.648 117 QD PRO 12 QD PRO 12 13.298 3.570 -6.225 118 OH TYR 13 OH TYR 13 7.963 9.508 -8.651 119 H TYR 13 HN TYR 13 9.671 4.751 -5.666 120 HA TYR 13 HA TYR 13 7.378 5.359 -4.218 121 1HB TYR 13 2HB TYR 13 7.633 3.679 -6.731 122 2HB TYR 13 3HB TYR 13 6.094 4.274 -6.112 123 HD1 TYR 13 HD1 TYR 13 5.971 6.818 -5.618 124 HD2 TYR 13 HD2 TYR 13 8.884 5.102 -8.192 125 HE1 TYR 13 HE1 TYR 13 6.296 8.993 -6.680 126 HE2 TYR 13 HE2 TYR 13 9.223 7.293 -9.252 127 HH TYR 13 HH TYR 13 7.664 10.195 -8.052 128 QB TYR 13 QB TYR 13 6.864 3.976 -6.421 129 QR TYR 13 QR TYR 13 7.593 7.051 -7.436 130 H CYS 14 HN CYS 14 8.718 2.145 -4.737 131 HA CYS 14 HA CYS 14 6.415 0.760 -3.592 132 1HB CYS 14 2HB CYS 14 9.159 -0.440 -3.780 133 2HB CYS 14 3HB CYS 14 7.613 -1.176 -4.100 134 QB CYS 14 QB CYS 14 8.386 -0.808 -3.940 135 H VAL 15 HN VAL 15 9.765 1.201 -2.630 136 HA VAL 15 HA VAL 15 9.730 0.199 -0.029 137 HB VAL 15 HB VAL 15 11.192 2.658 -1.053 138 1HG1 VAL 15 3HG1 VAL 15 11.166 2.512 1.446 139 2HG1 VAL 15 1HG1 VAL 15 11.800 0.871 1.338 140 3HG1 VAL 15 2HG1 VAL 15 12.774 2.230 0.789 141 1HG2 VAL 15 3HG2 VAL 15 11.978 -0.276 -0.855 142 2HG2 VAL 15 1HG2 VAL 15 11.623 0.591 -2.342 143 3HG2 VAL 15 2HG2 VAL 15 13.040 1.022 -1.393 144 QG1 VAL 15 QG1 VAL 15 11.913 1.871 1.191 145 QG2 VAL 15 QG2 VAL 15 12.214 0.446 -1.530 146 QQG VAL 15 QQG VAL 15 12.064 1.158 -0.170 147 NH1 ARG 16 NH1 ARG 16 4.341 8.807 2.424 148 NH2 ARG 16 NH2 ARG 16 4.892 7.487 4.189 149 H ARG 16 HN ARG 16 8.781 3.407 -1.189 150 HA ARG 16 HA ARG 16 8.110 4.446 1.387 151 1HB ARG 16 2HB ARG 16 8.454 5.601 -1.026 152 2HB ARG 16 3HB ARG 16 6.703 5.476 -1.052 153 1HG ARG 16 2HG ARG 16 8.447 6.923 0.956 154 2HG ARG 16 3HG ARG 16 7.193 7.584 -0.079 155 1HD ARG 16 2HD ARG 16 5.469 6.280 1.206 156 2HD ARG 16 3HD ARG 16 6.739 5.695 2.275 157 HE ARG 16 HE ARG 16 7.097 8.307 2.657 158 1HH1 ARG 16 2HH1 ARG 16 4.597 9.225 1.544 159 2HH1 ARG 16 1HH1 ARG 16 3.445 8.996 2.817 160 1HH2 ARG 16 2HH2 ARG 16 5.564 6.867 4.623 161 2HH2 ARG 16 1HH2 ARG 16 4.029 7.677 4.645 162 QB ARG 16 QB ARG 16 7.578 5.539 -1.039 163 QG ARG 16 QG ARG 16 7.820 7.253 0.438 164 QD ARG 16 QD ARG 16 6.104 5.988 1.741 165 QH1 ARG 16 QH1 ARG 16 4.021 9.110 2.180 166 QH2 ARG 16 QH2 ARG 16 4.797 7.272 4.634 167 H ALA 17 HN ALA 17 5.933 3.481 -1.328 168 HA ALA 17 HA ALA 17 3.479 3.565 -0.044 169 1HB ALA 17 1HB ALA 17 3.810 2.754 -2.373 170 2HB ALA 17 2HB ALA 17 4.473 1.252 -1.743 171 3HB ALA 17 3HB ALA 17 2.787 1.662 -1.452 172 QB ALA 17 QB ALA 17 3.690 1.889 -1.856 173 H LYS 18 HN LYS 18 5.928 1.072 0.237 174 HA LYS 18 HA LYS 18 4.586 -0.690 2.008 175 1HB LYS 18 2HB LYS 18 6.602 -1.259 0.696 176 2HB LYS 18 3HB LYS 18 7.539 -0.074 1.579 177 1HG LYS 18 2HG LYS 18 6.159 -2.323 3.032 178 2HG LYS 18 3HG LYS 18 7.731 -2.560 2.282 179 1HD LYS 18 2HD LYS 18 8.474 -0.440 3.560 180 2HD LYS 18 3HD LYS 18 6.989 -0.630 4.483 181 1HE LYS 18 2HE LYS 18 7.693 -2.980 5.039 182 2HE LYS 18 3HE LYS 18 9.203 -2.701 4.186 183 1HZ LYS 18 1HZ LYS 18 8.764 -0.646 6.110 184 2HZ LYS 18 2HZ LYS 18 8.606 -2.160 6.833 185 3HZ LYS 18 3HZ LYS 18 10.042 -1.775 6.018 186 QB LYS 18 QB LYS 18 7.070 -0.666 1.137 187 QG LYS 18 QG LYS 18 6.945 -2.442 2.657 188 QD LYS 18 QD LYS 18 7.731 -0.535 4.021 189 QE LYS 18 QE LYS 18 8.448 -2.840 4.612 190 QZ LYS 18 QZ LYS 18 9.137 -1.527 6.320 191 H ASP 19 HN ASP 19 7.103 1.779 2.708 192 HA ASP 19 HA ASP 19 6.915 1.845 5.493 193 1HB ASP 19 2HB ASP 19 8.547 3.282 4.472 194 2HB ASP 19 3HB ASP 19 7.325 4.121 3.529 195 QB ASP 19 QB ASP 19 7.936 3.702 4.000 196 H LEU 20 HN LEU 20 4.946 3.732 3.224 197 HA LEU 20 HA LEU 20 3.288 5.054 5.074 198 1HB LEU 20 2HB LEU 20 3.332 5.475 2.600 199 2HB LEU 20 3HB LEU 20 2.484 3.964 2.349 200 HG LEU 20 HG LEU 20 0.522 4.817 3.590 201 1HD1 LEU 20 1HD1 LEU 20 2.132 7.390 3.834 202 2HD1 LEU 20 2HD1 LEU 20 0.449 7.192 4.306 203 3HD1 LEU 20 3HD1 LEU 20 1.708 6.328 5.172 204 1HD2 LEU 20 2HD2 LEU 20 0.733 5.297 1.142 205 2HD2 LEU 20 3HD2 LEU 20 -0.161 6.555 1.981 206 3HD2 LEU 20 1HD2 LEU 20 1.518 6.817 1.523 207 QB LEU 20 QB LEU 20 2.908 4.720 2.475 208 QD1 LEU 20 QD1 LEU 20 1.430 6.970 4.437 209 QD2 LEU 20 QD2 LEU 20 0.697 6.223 1.549 210 QQD LEU 20 QQD LEU 20 1.063 6.596 2.993 211 H ALA 21 HN ALA 21 2.629 1.938 3.443 212 HA ALA 21 HA ALA 21 0.292 1.278 4.883 213 1HB ALA 21 3HB ALA 21 1.130 -0.043 2.948 214 2HB ALA 21 1HB ALA 21 2.480 -0.618 3.919 215 3HB ALA 21 2HB ALA 21 0.835 -1.091 4.330 216 QB ALA 21 QB ALA 21 1.482 -0.584 3.732 217 H GLU 22 HN GLU 22 3.611 0.274 5.587 218 HA GLU 22 HA GLU 22 3.191 -1.047 8.027 219 1HB GLU 22 2HB GLU 22 5.313 -0.718 6.506 220 2HB GLU 22 3HB GLU 22 5.630 0.658 7.554 221 1HG GLU 22 2HG GLU 22 5.844 -0.693 9.463 222 2HG GLU 22 3HG GLU 22 5.010 -2.058 8.733 223 QB GLU 22 QB GLU 22 5.471 -0.030 7.030 224 QG GLU 22 QG GLU 22 5.427 -1.375 9.098 225 H LYS 23 HN LYS 23 3.718 2.354 7.418 226 HA LYS 23 HA LYS 23 3.847 3.315 10.077 227 1HB LYS 23 2HB LYS 23 4.450 4.713 8.175 228 2HB LYS 23 3HB LYS 23 2.872 4.523 7.461 229 1HG LYS 23 2HG LYS 23 2.806 6.688 8.350 230 2HG LYS 23 3HG LYS 23 1.949 5.735 9.544 231 1HD LYS 23 2HD LYS 23 3.769 5.770 11.066 232 2HD LYS 23 3HD LYS 23 4.923 6.224 9.811 233 1HE LYS 23 2HE LYS 23 4.354 8.162 11.250 234 2HE LYS 23 3HE LYS 23 3.846 8.433 9.587 235 1HZ LYS 23 1HZ LYS 23 1.771 7.150 11.054 236 2HZ LYS 23 2HZ LYS 23 2.250 8.575 11.844 237 3HZ LYS 23 3HZ LYS 23 1.730 8.606 10.221 238 QB LYS 23 QB LYS 23 3.661 4.618 7.818 239 QG LYS 23 QG LYS 23 2.378 6.212 8.947 240 QD LYS 23 QD LYS 23 4.346 5.997 10.438 241 QE LYS 23 QE LYS 23 4.100 8.298 10.419 242 QZ LYS 23 QZ LYS 23 1.917 8.110 11.040 243 H LEU 24 HN LEU 24 1.105 3.294 7.812 244 HA LEU 24 HA LEU 24 -0.898 4.118 9.594 245 1HB LEU 24 2HB LEU 24 -0.973 2.173 7.278 246 2HB LEU 24 3HB LEU 24 -2.436 2.592 8.165 247 HG LEU 24 HG LEU 24 -0.573 4.671 6.960 248 1HD1 LEU 24 2HD1 LEU 24 -3.114 3.445 5.837 249 2HD1 LEU 24 3HD1 LEU 24 -2.242 4.804 5.137 250 3HD1 LEU 24 1HD1 LEU 24 -1.497 3.215 5.194 251 1HD2 LEU 24 2HD2 LEU 24 -3.459 4.769 7.963 252 2HD2 LEU 24 3HD2 LEU 24 -2.078 5.449 8.799 253 3HD2 LEU 24 1HD2 LEU 24 -2.584 6.125 7.264 254 QB LEU 24 QB LEU 24 -1.704 2.382 7.722 255 QD1 LEU 24 QD1 LEU 24 -2.284 3.821 5.389 256 QD2 LEU 24 QD2 LEU 24 -2.707 5.447 8.009 257 QQD LEU 24 QQD LEU 24 -2.496 4.634 6.699 258 H SER 25 HN SER 25 0.061 0.779 8.966 259 HA SER 25 HA SER 25 -1.578 -0.685 10.593 260 1HB SER 25 2HB SER 25 1.438 -0.957 10.348 261 2HB SER 25 3HB SER 25 0.352 -2.228 10.951 262 HG SER 25 HG SER 25 -0.839 -2.000 9.013 263 QB SER 25 QB SER 25 0.895 -1.593 10.650 264 H ASN 26 HN ASN 26 0.726 1.594 11.801 265 HA ASN 26 HA ASN 26 0.113 0.669 14.572 266 1HB ASN 26 2HB ASN 26 2.609 1.973 13.435 267 2HB ASN 26 3HB ASN 26 2.362 1.586 15.137 268 1HD2 ASN 26 2HD2 ASN 26 3.206 -1.434 12.532 269 2HD2 ASN 26 1HD2 ASN 26 2.958 0.135 11.922 270 QB ASN 26 QB ASN 26 2.486 1.780 14.286 271 QD2 ASN 26 QD2 ASN 26 3.082 -0.650 12.227 272 H GLU 27 HN GLU 27 0.408 3.437 12.429 273 HA GLU 27 HA GLU 27 -0.126 5.377 14.551 274 1HB GLU 27 2HB GLU 27 -0.164 7.002 12.715 275 2HB GLU 27 3HB GLU 27 1.189 5.911 12.486 276 1HG GLU 27 2HG GLU 27 0.337 5.156 10.551 277 2HG GLU 27 3HG GLU 27 -1.280 4.989 11.216 278 QB GLU 27 QB GLU 27 0.512 6.456 12.600 279 QG GLU 27 QG GLU 27 -0.472 5.072 10.883 280 NH1 ARG 28 NH1 ARG 28 -5.969 8.462 10.028 281 NH2 ARG 28 NH2 ARG 28 -4.650 8.967 11.780 282 H ARG 28 HN ARG 28 -1.981 3.407 12.505 283 HA ARG 28 HA ARG 28 -4.462 4.906 13.133 284 1HB ARG 28 2HB ARG 28 -3.524 4.350 10.671 285 2HB ARG 28 3HB ARG 28 -4.295 2.806 10.977 286 1HG ARG 28 2HG ARG 28 -5.700 4.552 9.737 287 2HG ARG 28 3HG ARG 28 -6.470 3.793 11.112 288 1HD ARG 28 2HD ARG 28 -6.867 6.235 11.074 289 2HD ARG 28 3HD ARG 28 -5.988 5.764 12.506 290 HE ARG 28 HE ARG 28 -3.898 6.559 10.938 291 1HH1 ARG 28 2HH1 ARG 28 -6.380 7.779 9.430 292 2HH1 ARG 28 1HH1 ARG 28 -6.207 9.436 9.912 293 1HH2 ARG 28 2HH2 ARG 28 -4.006 8.668 12.489 294 2HH2 ARG 28 1HH2 ARG 28 -4.922 9.941 11.701 295 QB ARG 28 QB ARG 28 -3.910 3.578 10.824 296 QG ARG 28 QG ARG 28 -6.085 4.172 10.424 297 QD ARG 28 QD ARG 28 -6.427 6.000 11.790 298 QH1 ARG 28 QH1 ARG 28 -6.294 8.608 9.671 299 QH2 ARG 28 QH2 ARG 28 -4.464 9.304 12.095 300 H ASP 29 HN ASP 29 -6.131 2.514 12.441 301 HA ASP 29 HA ASP 29 -5.534 0.964 14.934 302 1HB ASP 29 2HB ASP 29 -7.580 2.501 14.860 303 2HB ASP 29 3HB ASP 29 -8.284 1.358 13.733 304 QB ASP 29 QB ASP 29 -7.932 1.930 14.296 305 H ASP 30 HN ASP 30 -7.876 0.239 12.325 306 HA ASP 30 HA ASP 30 -6.855 -2.548 12.376 307 1HB ASP 30 2HB ASP 30 -8.943 -3.164 11.327 308 2HB ASP 30 3HB ASP 30 -9.332 -2.028 12.609 309 QB ASP 30 QB ASP 30 -9.138 -2.596 11.968 310 H PHE 31 HN PHE 31 -4.926 -1.350 11.239 311 HA PHE 31 HA PHE 31 -5.430 -1.491 8.281 312 1HB PHE 31 2HB PHE 31 -4.803 0.775 9.232 313 2HB PHE 31 3HB PHE 31 -3.224 0.103 9.610 314 HD1 PHE 31 1HD PHE 31 -1.781 -0.795 7.709 315 HD2 PHE 31 2HD PHE 31 -5.390 1.367 6.987 316 HE1 PHE 31 1HE PHE 31 -1.131 -0.471 5.373 317 HE2 PHE 31 2HE PHE 31 -4.718 1.694 4.655 318 HZ PHE 31 HZ PHE 31 -2.597 0.770 3.839 319 QB PHE 31 QB PHE 31 -4.014 0.439 9.421 320 QR PHE 31 QR PHE 31 -3.255 0.449 6.181 321 H GLN 32 HN GLN 32 -4.881 -3.533 7.802 322 HA GLN 32 HA GLN 32 -2.173 -4.510 8.635 323 1HB GLN 32 2HB GLN 32 -4.642 -5.946 7.570 324 2HB GLN 32 3HB GLN 32 -3.085 -6.738 7.772 325 1HG GLN 32 2HG GLN 32 -4.573 -5.336 10.029 326 2HG GLN 32 3HG GLN 32 -4.629 -7.073 9.735 327 1HE2 GLN 32 2HE2 GLN 32 -1.391 -5.473 11.533 328 2HE2 GLN 32 1HE2 GLN 32 -2.731 -4.526 11.119 329 QB GLN 32 QB GLN 32 -3.863 -6.342 7.671 330 QG GLN 32 QG GLN 32 -4.601 -6.204 9.882 331 QE2 GLN 32 QE2 GLN 32 -2.061 -4.999 11.326 332 OH TYR 33 OH TYR 33 4.487 -4.149 7.664 333 H TYR 33 HN TYR 33 -0.930 -5.593 6.850 334 HA TYR 33 HA TYR 33 -1.791 -5.019 4.122 335 1HB TYR 33 2HB TYR 33 -0.029 -3.461 3.547 336 2HB TYR 33 3HB TYR 33 -0.846 -2.812 4.966 337 HD1 TYR 33 HD2 TYR 33 2.234 -4.439 3.751 338 HD2 TYR 33 HD1 TYR 33 0.223 -2.832 7.140 339 HE1 TYR 33 HE2 TYR 33 4.281 -4.686 5.091 340 HE2 TYR 33 HE1 TYR 33 2.253 -3.064 8.467 341 HH TYR 33 HH TYR 33 5.210 -3.558 7.401 342 QB TYR 33 QB TYR 33 -0.437 -3.137 4.256 343 QR TYR 33 QR TYR 33 2.248 -3.755 6.112 344 H GLN 34 HN GLN 34 -0.158 -5.683 2.589 345 HA GLN 34 HA GLN 34 1.799 -7.676 3.595 346 1HB GLN 34 2HB GLN 34 -0.425 -8.779 2.970 347 2HB GLN 34 3HB GLN 34 -0.172 -8.207 1.329 348 1HG GLN 34 2HG GLN 34 0.576 -10.554 1.579 349 2HG GLN 34 3HG GLN 34 1.941 -9.508 1.203 350 1HE2 GLN 34 2HE2 GLN 34 1.698 -11.243 4.900 351 2HE2 GLN 34 1HE2 GLN 34 0.341 -11.251 3.879 352 QB GLN 34 QB GLN 34 -0.299 -8.493 2.150 353 QG GLN 34 QG GLN 34 1.258 -10.031 1.391 354 QE2 GLN 34 QE2 GLN 34 1.019 -11.247 4.390 355 OH TYR 35 OH TYR 35 8.322 -3.559 -3.152 356 H TYR 35 HN TYR 35 3.593 -7.875 2.161 357 HA TYR 35 HA TYR 35 3.631 -5.704 0.086 358 1HB TYR 35 2HB TYR 35 5.385 -5.555 1.894 359 2HB TYR 35 3HB TYR 35 6.025 -7.100 1.338 360 HD1 TYR 35 HD1 TYR 35 7.142 -7.271 -0.872 361 HD2 TYR 35 HD2 TYR 35 5.596 -3.540 0.468 362 HE1 TYR 35 HE1 TYR 35 8.331 -6.133 -2.675 363 HE2 TYR 35 HE2 TYR 35 6.822 -2.396 -1.330 364 HH TYR 35 HH TYR 35 8.385 -4.203 -3.871 365 QB TYR 35 QB TYR 35 5.705 -6.328 1.616 366 QR TYR 35 QR TYR 35 6.973 -4.835 -1.102 367 H VAL 36 HN VAL 36 3.938 -6.239 -1.985 368 HA VAL 36 HA VAL 36 4.471 -9.112 -2.608 369 HB VAL 36 HB VAL 36 2.359 -7.163 -3.494 370 1HG1 VAL 36 2HG1 VAL 36 3.577 -9.244 -5.381 371 2HG1 VAL 36 3HG1 VAL 36 2.098 -8.346 -5.675 372 3HG1 VAL 36 1HG1 VAL 36 3.637 -7.501 -5.613 373 1HG2 VAL 36 2HG2 VAL 36 1.858 -9.118 -2.076 374 2HG2 VAL 36 3HG2 VAL 36 1.051 -9.254 -3.635 375 3HG2 VAL 36 1HG2 VAL 36 2.503 -10.201 -3.311 376 QG1 VAL 36 QG1 VAL 36 3.104 -8.364 -5.556 377 QG2 VAL 36 QG2 VAL 36 1.804 -9.524 -3.007 378 QQG VAL 36 QQG VAL 36 2.454 -8.944 -4.282 379 H ASP 37 HN ASP 37 5.959 -9.407 -4.323 380 HA ASP 37 HA ASP 37 7.388 -6.922 -5.124 381 1HB ASP 37 2HB ASP 37 8.582 -8.635 -3.565 382 2HB ASP 37 3HB ASP 37 8.760 -9.569 -5.041 383 QB ASP 37 QB ASP 37 8.671 -9.102 -4.303 384 H ILE 38 HN ILE 38 6.680 -6.521 -7.091 385 HA ILE 38 HA ILE 38 5.765 -8.327 -9.033 386 HB ILE 38 HB ILE 38 6.351 -6.562 -10.730 387 1HG1 ILE 38 2HG1 ILE 38 7.429 -5.117 -8.287 388 2HG1 ILE 38 3HG1 ILE 38 8.433 -5.885 -9.492 389 1HG2 ILE 38 2HG2 ILE 38 4.225 -6.491 -9.457 390 2HG2 ILE 38 3HG2 ILE 38 5.028 -5.603 -8.167 391 3HG2 ILE 38 1HG2 ILE 38 4.828 -4.864 -9.752 392 1HD1 ILE 38 2HD1 ILE 38 7.418 -4.394 -11.239 393 2HD1 ILE 38 3HD1 ILE 38 6.476 -3.610 -9.971 394 3HD1 ILE 38 1HD1 ILE 38 8.229 -3.477 -9.971 395 QG1 ILE 38 QG1 ILE 38 7.931 -5.501 -8.889 396 QG2 ILE 38 QG2 ILE 38 4.694 -5.653 -9.126 397 QD1 ILE 38 QD1 ILE 38 7.374 -3.827 -10.393 398 NH1 ARG 39 NH2 ARG 39 9.119 -8.628 -12.811 399 NH2 ARG 39 NH1 ARG 39 10.255 -6.961 -13.870 400 H ARG 39 HN ARG 39 9.035 -7.744 -8.023 401 HA ARG 39 HA ARG 39 10.094 -8.994 -10.505 402 1HB ARG 39 2HB ARG 39 11.563 -8.121 -7.995 403 2HB ARG 39 3HB ARG 39 12.312 -8.671 -9.481 404 1HG ARG 39 2HG ARG 39 10.555 -6.208 -9.230 405 2HG ARG 39 3HG ARG 39 12.308 -6.188 -9.269 406 1HD ARG 39 2HD ARG 39 11.732 -5.717 -11.509 407 2HD ARG 39 3HD ARG 39 12.061 -7.450 -11.552 408 HE ARG 39 HE ARG 39 9.238 -6.667 -11.072 409 1HH1 ARG 39 2HH2 ARG 39 8.742 -9.009 -11.967 410 2HH1 ARG 39 1HH2 ARG 39 8.931 -9.091 -13.674 411 1HH2 ARG 39 2HH1 ARG 39 10.777 -6.112 -13.802 412 2HH2 ARG 39 1HH1 ARG 39 10.078 -7.370 -14.770 413 QB ARG 39 QB ARG 39 11.937 -8.396 -8.738 414 QG ARG 39 QG ARG 39 11.432 -6.198 -9.249 415 QD ARG 39 QD ARG 39 11.896 -6.584 -11.531 416 QH1 ARG 39 QH2 ARG 39 8.837 -9.050 -12.821 417 QH2 ARG 39 QH1 ARG 39 10.427 -6.741 -14.286 418 H ALA 40 HN ALA 40 10.380 -9.589 -7.001 419 HA ALA 40 HA ALA 40 11.462 -12.169 -7.095 420 1HB ALA 40 2HB ALA 40 11.002 -10.869 -4.988 421 2HB ALA 40 3HB ALA 40 9.309 -11.335 -5.134 422 3HB ALA 40 1HB ALA 40 10.532 -12.564 -4.890 423 QB ALA 40 QB ALA 40 10.281 -11.590 -5.004 424 H GLU 41 HN GLU 41 8.000 -11.353 -7.326 425 HA GLU 41 HA GLU 41 7.212 -14.152 -7.447 426 1HB GLU 41 2HB GLU 41 5.838 -11.500 -7.686 427 2HB GLU 41 3HB GLU 41 4.983 -12.903 -8.307 428 1HG GLU 41 2HG GLU 41 5.310 -14.049 -6.112 429 2HG GLU 41 3HG GLU 41 6.120 -12.608 -5.499 430 QB GLU 41 QB GLU 41 5.410 -12.201 -7.996 431 QG GLU 41 QG GLU 41 5.715 -13.329 -5.806 432 H GLY 42 HN GLY 42 7.898 -11.698 -9.864 433 1HA GLY 42 1HA GLY 42 8.672 -12.340 -12.091 434 2HA GLY 42 2HA GLY 42 7.778 -13.845 -11.938 435 QA GLY 42 QA GLY 42 8.225 -13.093 -12.015 436 H ILE 43 HN ILE 43 6.863 -10.431 -11.556 437 HA ILE 43 HA ILE 43 4.541 -10.956 -13.348 438 HB ILE 43 HB ILE 43 5.000 -8.913 -11.145 439 1HG1 ILE 43 2HG1 ILE 43 3.167 -11.338 -11.320 440 2HG1 ILE 43 3HG1 ILE 43 4.660 -11.263 -10.394 441 1HG2 ILE 43 1HG2 ILE 43 3.545 -8.017 -12.945 442 2HG2 ILE 43 2HG2 ILE 43 2.515 -9.442 -12.809 443 3HG2 ILE 43 3HG2 ILE 43 2.642 -8.310 -11.469 444 1HD1 ILE 43 1HD1 ILE 43 3.705 -9.385 -9.048 445 2HD1 ILE 43 2HD1 ILE 43 2.192 -9.545 -9.936 446 3HD1 ILE 43 3HD1 ILE 43 2.751 -10.857 -8.910 447 QG1 ILE 43 QG1 ILE 43 3.914 -11.301 -10.857 448 QG2 ILE 43 QG2 ILE 43 2.901 -8.590 -12.408 449 QD1 ILE 43 QD1 ILE 43 2.882 -9.929 -9.298 450 H THR 44 HN THR 44 4.144 -9.587 -15.103 451 HA THR 44 HA THR 44 6.269 -7.562 -15.668 452 HB THR 44 HB THR 44 5.519 -7.897 -18.117 453 HG1 THR 44 1HG THR 44 3.953 -9.325 -18.429 454 1HG2 THR 44 3HG2 THR 44 7.498 -9.180 -17.146 455 2HG2 THR 44 1HG2 THR 44 6.373 -10.447 -16.660 456 3HG2 THR 44 2HG2 THR 44 6.619 -10.094 -18.370 457 QG2 THR 44 QG2 THR 44 6.830 -9.907 -17.392 458 H LYS 45 HN LYS 45 3.347 -7.703 -17.494 459 HA LYS 45 HA LYS 45 2.199 -5.346 -16.036 460 1HB LYS 45 2HB LYS 45 3.473 -4.535 -18.027 461 2HB LYS 45 3HB LYS 45 2.540 -5.604 -19.063 462 1HG LYS 45 2HG LYS 45 0.454 -4.419 -18.379 463 2HG LYS 45 3HG LYS 45 1.416 -3.314 -17.412 464 1HD LYS 45 2HD LYS 45 2.739 -3.182 -19.817 465 2HD LYS 45 3HD LYS 45 1.092 -3.460 -20.361 466 1HE LYS 45 2HE LYS 45 1.897 -1.275 -18.402 467 2HE LYS 45 3HE LYS 45 1.688 -1.034 -20.126 468 1HZ LYS 45 2HZ LYS 45 -0.618 -2.301 -19.240 469 2HZ LYS 45 3HZ LYS 45 -0.279 -1.072 -18.089 470 3HZ LYS 45 1HZ LYS 45 -0.443 -0.675 -19.743 471 QB LYS 45 QB LYS 45 3.007 -5.069 -18.545 472 QG LYS 45 QG LYS 45 0.935 -3.867 -17.895 473 QD LYS 45 QD LYS 45 1.916 -3.321 -20.089 474 QE LYS 45 QE LYS 45 1.793 -1.154 -19.264 475 QZ LYS 45 QZ LYS 45 -0.447 -1.349 -19.024 476 H GLU 46 HN GLU 46 1.700 -7.595 -18.711 477 HA GLU 46 HA GLU 46 -1.040 -7.602 -18.985 478 1HB GLU 46 2HB GLU 46 0.712 -10.086 -18.985 479 2HB GLU 46 3HB GLU 46 -0.843 -9.917 -19.789 480 1HG GLU 46 2HG GLU 46 0.346 -9.260 -21.622 481 2HG GLU 46 3HG GLU 46 0.588 -7.735 -20.780 482 QB GLU 46 QB GLU 46 -0.066 -10.001 -19.387 483 QG GLU 46 QG GLU 46 0.467 -8.498 -21.201 484 H ASP 47 HN ASP 47 0.740 -9.644 -16.617 485 HA ASP 47 HA ASP 47 -1.580 -10.832 -15.418 486 1HB ASP 47 2HB ASP 47 0.797 -11.510 -14.891 487 2HB ASP 47 3HB ASP 47 1.007 -10.004 -14.015 488 QB ASP 47 QB ASP 47 0.902 -10.757 -14.453 489 H LEU 48 HN LEU 48 0.279 -8.236 -13.835 490 HA LEU 48 HA LEU 48 -1.488 -7.320 -11.993 491 1HB LEU 48 2HB LEU 48 0.148 -5.628 -13.904 492 2HB LEU 48 3HB LEU 48 -0.670 -4.950 -12.505 493 HG LEU 48 HG LEU 48 1.270 -7.263 -12.323 494 1HD1 LEU 48 2HD1 LEU 48 2.398 -5.230 -13.212 495 2HD1 LEU 48 3HD1 LEU 48 1.773 -4.307 -11.848 496 3HD1 LEU 48 1HD1 LEU 48 2.936 -5.603 -11.578 497 1HD2 LEU 48 1HD2 LEU 48 -0.337 -6.991 -10.425 498 2HD2 LEU 48 2HD2 LEU 48 1.314 -6.644 -9.940 499 3HD2 LEU 48 3HD2 LEU 48 0.195 -5.323 -10.242 500 QB LEU 48 QB LEU 48 -0.261 -5.289 -13.205 501 QD1 LEU 48 QD1 LEU 48 2.369 -5.047 -12.213 502 QD2 LEU 48 QD2 LEU 48 0.390 -6.319 -10.202 503 QQD LEU 48 QQD LEU 48 1.380 -5.683 -11.208 504 H GLN 49 HN GLN 49 -1.659 -6.322 -15.397 505 HA GLN 49 HA GLN 49 -3.837 -4.560 -15.280 506 1HB GLN 49 2HB GLN 49 -3.147 -6.615 -17.409 507 2HB GLN 49 3HB GLN 49 -4.465 -5.467 -17.606 508 1HG GLN 49 2HG GLN 49 -2.898 -3.587 -17.286 509 2HG GLN 49 3HG GLN 49 -1.573 -4.716 -17.061 510 1HE2 GLN 49 2HE2 GLN 49 -2.754 -5.458 -20.802 511 2HE2 GLN 49 1HE2 GLN 49 -3.572 -6.060 -19.442 512 QB GLN 49 QB GLN 49 -3.806 -6.041 -17.507 513 QG GLN 49 QG GLN 49 -2.235 -4.151 -17.174 514 QE2 GLN 49 QE2 GLN 49 -3.163 -5.759 -20.122 515 H GLN 50 HN GLN 50 -3.960 -8.063 -15.636 516 HA GLN 50 HA GLN 50 -6.684 -8.586 -15.732 517 1HB GLN 50 2HB GLN 50 -4.588 -10.019 -14.048 518 2HB GLN 50 3HB GLN 50 -6.134 -10.703 -14.487 519 1HG GLN 50 2HG GLN 50 -4.081 -9.771 -16.519 520 2HG GLN 50 3HG GLN 50 -4.275 -11.441 -16.009 521 1HE2 GLN 50 2HE2 GLN 50 -7.334 -11.893 -17.789 522 2HE2 GLN 50 1HE2 GLN 50 -6.346 -12.500 -16.548 523 QB GLN 50 QB GLN 50 -5.361 -10.361 -14.268 524 QG GLN 50 QG GLN 50 -4.178 -10.606 -16.264 525 QE2 GLN 50 QE2 GLN 50 -6.840 -12.196 -17.168 526 H LYS 51 HN LYS 51 -4.829 -7.647 -12.928 527 HA LYS 51 HA LYS 51 -7.189 -7.840 -11.152 528 1HB LYS 51 2HB LYS 51 -4.347 -8.085 -10.862 529 2HB LYS 51 3HB LYS 51 -4.857 -6.784 -9.820 530 1HG LYS 51 2HG LYS 51 -6.793 -8.758 -9.369 531 2HG LYS 51 3HG LYS 51 -5.323 -9.688 -9.605 532 1HD LYS 51 2HD LYS 51 -5.050 -9.271 -7.362 533 2HD LYS 51 3HD LYS 51 -4.332 -7.779 -7.959 534 1HE LYS 51 2HE LYS 51 -7.185 -8.202 -6.994 535 2HE LYS 51 3HE LYS 51 -5.951 -7.184 -6.258 536 1HZ LYS 51 1HZ LYS 51 -6.216 -6.331 -8.891 537 2HZ LYS 51 2HZ LYS 51 -7.783 -6.535 -8.305 538 3HZ LYS 51 3HZ LYS 51 -6.696 -5.527 -7.487 539 QB LYS 51 QB LYS 51 -4.602 -7.435 -10.341 540 QG LYS 51 QG LYS 51 -6.058 -9.223 -9.487 541 QD LYS 51 QD LYS 51 -4.691 -8.525 -7.661 542 QE LYS 51 QE LYS 51 -6.568 -7.693 -6.626 543 QZ LYS 51 QZ LYS 51 -6.899 -6.131 -8.228 544 H ALA 52 HN ALA 52 -5.680 -5.371 -12.966 545 HA ALA 52 HA ALA 52 -6.962 -3.314 -11.173 546 1HB ALA 52 1HB ALA 52 -4.489 -3.076 -11.226 547 2HB ALA 52 2HB ALA 52 -4.539 -2.962 -12.976 548 3HB ALA 52 3HB ALA 52 -5.272 -1.700 -11.993 549 QB ALA 52 QB ALA 52 -4.767 -2.579 -12.065 550 H GLY 53 HN GLY 53 -6.116 -4.017 -14.514 551 1HA GLY 53 1HA GLY 53 -7.481 -3.577 -16.433 552 2HA GLY 53 2HA GLY 53 -8.525 -2.563 -15.427 553 QA GLY 53 QA GLY 53 -8.003 -3.070 -15.930 554 H LYS 54 HN LYS 54 -5.022 -2.603 -15.969 555 HA LYS 54 HA LYS 54 -5.167 0.282 -16.795 556 1HB LYS 54 2HB LYS 54 -3.243 -1.125 -14.938 557 2HB LYS 54 3HB LYS 54 -2.798 0.377 -15.725 558 1HG LYS 54 2HG LYS 54 -5.475 0.524 -14.519 559 2HG LYS 54 3HG LYS 54 -4.243 0.120 -13.337 560 1HD LYS 54 2HD LYS 54 -4.418 2.546 -13.445 561 2HD LYS 54 3HD LYS 54 -2.877 2.074 -14.146 562 1HE LYS 54 2HE LYS 54 -3.981 2.167 -16.427 563 2HE LYS 54 3HE LYS 54 -5.417 2.823 -15.648 564 1HZ LYS 54 3HZ LYS 54 -3.221 4.299 -14.756 565 2HZ LYS 54 1HZ LYS 54 -3.052 4.166 -16.435 566 3HZ LYS 54 2HZ LYS 54 -4.482 4.826 -15.764 567 QB LYS 54 QB LYS 54 -3.021 -0.374 -15.332 568 QG LYS 54 QG LYS 54 -4.859 0.322 -13.928 569 QD LYS 54 QD LYS 54 -3.648 2.310 -13.796 570 QE LYS 54 QE LYS 54 -4.699 2.495 -16.037 571 QZ LYS 54 QZ LYS 54 -3.585 4.430 -15.652 572 HA PRO 55 HA PRO 55 -2.959 -2.103 -20.044 573 1HB PRO 55 2HB PRO 55 -4.587 -0.724 -22.037 574 2HB PRO 55 3HB PRO 55 -4.544 -2.449 -21.658 575 1HG PRO 55 2HG PRO 55 -6.700 -0.775 -21.088 576 2HG PRO 55 3HG PRO 55 -6.386 -2.305 -20.267 577 1HD PRO 55 2HD PRO 55 -5.864 0.491 -19.309 578 2HD PRO 55 3HD PRO 55 -6.289 -0.965 -18.386 579 QB PRO 55 QB PRO 55 -4.566 -1.587 -21.848 580 QG PRO 55 QG PRO 55 -6.543 -1.540 -20.678 581 QD PRO 55 QD PRO 55 -6.077 -0.237 -18.848 582 H VAL 56 HN VAL 56 -2.225 0.393 -18.784 583 HA VAL 56 HA VAL 56 -0.809 1.666 -21.090 584 HB VAL 56 HB VAL 56 -1.091 3.834 -19.483 585 1HG1 VAL 56 1HG1 VAL 56 -3.154 2.805 -21.481 586 2HG1 VAL 56 2HG1 VAL 56 -2.953 4.487 -20.992 587 3HG1 VAL 56 3HG1 VAL 56 -1.678 3.673 -21.891 588 1HG2 VAL 56 2HG2 VAL 56 -2.529 2.525 -17.867 589 2HG2 VAL 56 3HG2 VAL 56 -3.358 3.912 -18.566 590 3HG2 VAL 56 1HG2 VAL 56 -3.697 2.288 -19.156 591 QG1 VAL 56 QG1 VAL 56 -2.595 3.655 -21.455 592 QG2 VAL 56 QG2 VAL 56 -3.194 2.908 -18.530 593 QQG VAL 56 QQG VAL 56 -2.895 3.282 -19.992 594 H GLU 57 HN GLU 57 -0.709 2.506 -17.640 595 HA GLU 57 HA GLU 57 2.175 1.796 -17.675 596 1HB GLU 57 2HB GLU 57 2.477 3.262 -15.855 597 2HB GLU 57 3HB GLU 57 1.246 4.080 -16.789 598 1HG GLU 57 2HG GLU 57 0.372 2.208 -14.582 599 2HG GLU 57 3HG GLU 57 0.977 3.794 -14.171 600 QB GLU 57 QB GLU 57 1.861 3.671 -16.322 601 QG GLU 57 QG GLU 57 0.674 3.001 -14.376 602 H THR 58 HN THR 58 2.453 1.205 -14.900 603 HA THR 58 HA THR 58 0.597 -0.669 -13.905 604 HB THR 58 HB THR 58 1.008 -1.943 -16.010 605 HG1 THR 58 1HG THR 58 1.629 -2.836 -13.453 606 1HG2 THR 58 2HG2 THR 58 3.437 -1.268 -16.315 607 2HG2 THR 58 3HG2 THR 58 3.835 -2.251 -14.912 608 3HG2 THR 58 1HG2 THR 58 3.203 -3.011 -16.359 609 QG2 THR 58 QG2 THR 58 3.492 -2.177 -15.862 610 H VAL 59 HN VAL 59 3.956 0.343 -14.067 611 HA VAL 59 HA VAL 59 4.348 -0.874 -11.380 612 HB VAL 59 HB VAL 59 6.290 -0.420 -13.642 613 1HG1 VAL 59 2HG1 VAL 59 7.024 -0.904 -10.726 614 2HG1 VAL 59 3HG1 VAL 59 8.148 -0.952 -12.078 615 3HG1 VAL 59 1HG1 VAL 59 7.372 0.562 -11.635 616 1HG2 VAL 59 3HG2 VAL 59 5.141 -2.618 -13.420 617 2HG2 VAL 59 1HG2 VAL 59 6.867 -2.775 -13.144 618 3HG2 VAL 59 2HG2 VAL 59 5.751 -2.770 -11.781 619 QG1 VAL 59 QG1 VAL 59 7.515 -0.431 -11.480 620 QG2 VAL 59 QG2 VAL 59 5.920 -2.721 -12.782 621 QQG VAL 59 QQG VAL 59 6.717 -1.576 -12.131 622 HA PRO 60 HA PRO 60 4.572 -0.704 -9.609 623 1HB PRO 60 2HB PRO 60 4.823 0.355 -7.123 624 2HB PRO 60 3HB PRO 60 6.204 -0.236 -8.050 625 1HG PRO 60 2HG PRO 60 5.379 2.582 -7.491 626 2HG PRO 60 3HG PRO 60 6.992 1.923 -7.785 627 1HD PRO 60 2HD PRO 60 5.349 3.294 -9.681 628 2HD PRO 60 3HD PRO 60 6.857 2.423 -10.031 629 QB PRO 60 QB PRO 60 5.513 0.060 -7.586 630 QG PRO 60 QG PRO 60 6.185 2.252 -7.638 631 QD PRO 60 QD PRO 60 6.103 2.859 -9.856 632 H GLN 61 HN GLN 61 2.734 -1.072 -8.059 633 HA GLN 61 HA GLN 61 0.782 1.178 -7.950 634 1HB GLN 61 2HB GLN 61 0.197 -1.557 -9.145 635 2HB GLN 61 3HB GLN 61 -1.057 -0.415 -8.678 636 1HG GLN 61 2HG GLN 61 0.070 1.295 -10.188 637 2HG GLN 61 3HG GLN 61 1.093 -0.011 -10.780 638 1HE2 GLN 61 2HE2 GLN 61 -2.379 0.436 -12.560 639 2HE2 GLN 61 1HE2 GLN 61 -1.528 1.661 -11.735 640 QB GLN 61 QB GLN 61 -0.430 -0.986 -8.911 641 QG GLN 61 QG GLN 61 0.581 0.642 -10.484 642 QE2 GLN 61 QE2 GLN 61 -1.953 1.049 -12.147 643 H ILE 62 HN ILE 62 -0.983 0.826 -6.550 644 HA ILE 62 HA ILE 62 -0.448 -1.132 -4.342 645 HB ILE 62 HB ILE 62 -1.651 1.663 -4.140 646 1HG1 ILE 62 2HG1 ILE 62 0.451 1.829 -2.536 647 2HG1 ILE 62 3HG1 ILE 62 1.061 0.516 -3.541 648 1HG2 ILE 62 2HG2 ILE 62 -1.126 -0.458 -2.027 649 2HG2 ILE 62 3HG2 ILE 62 -1.566 1.209 -1.672 650 3HG2 ILE 62 1HG2 ILE 62 -2.694 0.161 -2.522 651 1HD1 ILE 62 1HD1 ILE 62 0.042 3.172 -4.576 652 2HD1 ILE 62 2HD1 ILE 62 1.739 2.718 -4.434 653 3HD1 ILE 62 3HD1 ILE 62 0.693 1.874 -5.565 654 QG1 ILE 62 QG1 ILE 62 0.756 1.172 -3.039 655 QG2 ILE 62 QG2 ILE 62 -1.795 0.304 -2.074 656 QD1 ILE 62 QD1 ILE 62 0.825 2.588 -4.858 657 H PHE 63 HN PHE 63 -2.133 -2.074 -3.482 658 HA PHE 63 HA PHE 63 -4.823 -1.782 -4.790 659 1HB PHE 63 2HB PHE 63 -3.172 -4.240 -4.200 660 2HB PHE 63 3HB PHE 63 -4.917 -4.358 -4.030 661 HD1 PHE 63 1HD PHE 63 -6.299 -3.372 -6.030 662 HD2 PHE 63 2HD PHE 63 -2.244 -4.614 -6.364 663 HE1 PHE 63 1HE PHE 63 -6.586 -3.673 -8.449 664 HE2 PHE 63 2HE PHE 63 -2.529 -4.914 -8.777 665 HZ PHE 63 HZ PHE 63 -4.706 -4.458 -9.823 666 QB PHE 63 QB PHE 63 -4.044 -4.299 -4.115 667 QR PHE 63 QR PHE 63 -4.414 -4.143 -7.405 668 H VAL 64 HN VAL 64 -6.405 -1.352 -3.261 669 HA VAL 64 HA VAL 64 -5.568 -1.850 -0.412 670 HB VAL 64 HB VAL 64 -7.320 0.306 -1.613 671 1HG1 VAL 64 1HG1 VAL 64 -6.995 -0.422 1.324 672 2HG1 VAL 64 2HG1 VAL 64 -7.849 0.982 0.702 673 3HG1 VAL 64 3HG1 VAL 64 -8.472 -0.624 0.387 674 1HG2 VAL 64 3HG2 VAL 64 -4.813 0.632 -1.432 675 2HG2 VAL 64 1HG2 VAL 64 -5.716 1.775 -0.439 676 3HG2 VAL 64 2HG2 VAL 64 -4.943 0.375 0.303 677 QG1 VAL 64 QG1 VAL 64 -7.772 -0.021 0.804 678 QG2 VAL 64 QG2 VAL 64 -5.157 0.927 -0.523 679 QQG VAL 64 QQG VAL 64 -6.465 0.453 0.141 680 H ASP 65 HN ASP 65 -6.859 -3.048 0.832 681 HA ASP 65 HA ASP 65 -8.302 -4.807 1.285 682 1HB ASP 65 2HB ASP 65 -10.037 -2.659 0.052 683 2HB ASP 65 3HB ASP 65 -10.751 -4.192 0.549 684 QB ASP 65 QB ASP 65 -10.394 -3.426 0.301 685 H GLN 66 HN GLN 66 -9.995 -3.981 -1.620 686 HA GLN 66 HA GLN 66 -8.762 -6.244 -3.078 687 1HB GLN 66 2HB GLN 66 -11.649 -6.033 -2.253 688 2HB GLN 66 3HB GLN 66 -11.268 -6.798 -3.790 689 1HG GLN 66 2HG GLN 66 -9.795 -7.623 -1.281 690 2HG GLN 66 3HG GLN 66 -11.381 -8.289 -1.638 691 1HE2 GLN 66 2HE2 GLN 66 -9.941 -10.658 -3.791 692 2HE2 GLN 66 1HE2 GLN 66 -11.123 -10.292 -2.630 693 QB GLN 66 QB GLN 66 -11.458 -6.415 -3.021 694 QG GLN 66 QG GLN 66 -10.588 -7.956 -1.460 695 QE2 GLN 66 QE2 GLN 66 -10.532 -10.475 -3.211 696 H GLN 67 HN GLN 67 -9.474 -3.084 -3.173 697 HA GLN 67 HA GLN 67 -10.344 -3.083 -6.006 698 1HB GLN 67 2HB GLN 67 -11.876 -1.907 -4.653 699 2HB GLN 67 3HB GLN 67 -10.614 -1.254 -3.624 700 1HG GLN 67 2HG GLN 67 -11.527 0.467 -5.021 701 2HG GLN 67 3HG GLN 67 -9.861 0.189 -5.472 702 1HE2 GLN 67 2HE2 GLN 67 -10.896 -0.143 -8.826 703 2HE2 GLN 67 1HE2 GLN 67 -9.834 0.572 -7.707 704 QB GLN 67 QB GLN 67 -11.245 -1.581 -4.139 705 QG GLN 67 QG GLN 67 -10.694 0.328 -5.246 706 QE2 GLN 67 QE2 GLN 67 -10.365 0.215 -8.267 707 H HIS 68 HN HIS 68 -9.254 -1.694 -7.466 708 HA HIS 68 HA HIS 68 -6.372 -1.448 -6.967 709 1HB HIS 68 2HB HIS 68 -7.392 -1.993 -9.233 710 2HB HIS 68 3HB HIS 68 -8.025 -0.373 -9.273 711 HD1 HIS 68 HD1 HIS 68 -6.574 1.236 -10.369 712 HD2 HIS 68 HD2 HIS 68 -4.287 -1.860 -8.921 713 HE1 HIS 68 HE1 HIS 68 -4.231 1.617 -11.210 714 QB HIS 68 QB HIS 68 -7.709 -1.183 -9.253 715 H ILE 69 HN ILE 69 -5.304 0.481 -6.524 716 HA ILE 69 HA ILE 69 -7.143 2.805 -6.044 717 HB ILE 69 HB ILE 69 -4.548 2.126 -4.627 718 1HG1 ILE 69 2HG1 ILE 69 -6.312 0.440 -4.192 719 2HG1 ILE 69 3HG1 ILE 69 -5.997 1.413 -2.773 720 1HG2 ILE 69 2HG2 ILE 69 -6.724 4.170 -4.027 721 2HG2 ILE 69 3HG2 ILE 69 -5.354 3.814 -2.981 722 3HG2 ILE 69 1HG2 ILE 69 -5.090 4.522 -4.573 723 1HD1 ILE 69 2HD1 ILE 69 -8.304 1.895 -4.687 724 2HD1 ILE 69 3HD1 ILE 69 -8.441 1.068 -3.149 725 3HD1 ILE 69 1HD1 ILE 69 -8.001 2.768 -3.189 726 QG1 ILE 69 QG1 ILE 69 -6.155 0.927 -3.483 727 QG2 ILE 69 QG2 ILE 69 -5.722 4.169 -3.860 728 QD1 ILE 69 QD1 ILE 69 -8.249 1.910 -3.675 729 H GLY 70 HN GLY 70 -3.867 1.897 -6.963 730 1HA GLY 70 1HA GLY 70 -3.341 3.103 -9.236 731 2HA GLY 70 2HA GLY 70 -3.569 4.561 -8.277 732 QA GLY 70 QA GLY 70 -3.455 3.832 -8.756 733 H GLY 71 HN GLY 71 -1.571 5.383 -8.083 734 1HA GLY 71 1HA GLY 71 0.673 3.552 -7.323 735 2HA GLY 71 2HA GLY 71 0.878 5.073 -8.180 736 QA GLY 71 QA GLY 71 0.776 4.312 -7.752 737 OH TYR 72 OH TYR 72 4.563 10.003 0.010 738 H TYR 72 HN TYR 72 2.458 5.371 -6.402 739 HA TYR 72 HA TYR 72 1.788 5.617 -3.679 740 1HB TYR 72 2HB TYR 72 4.101 5.653 -4.321 741 2HB TYR 72 3HB TYR 72 3.866 7.074 -5.337 742 HD1 TYR 72 HD2 TYR 72 2.910 6.204 -1.796 743 HD2 TYR 72 HD1 TYR 72 4.869 8.967 -4.373 744 HE1 TYR 72 HE2 TYR 72 3.308 7.704 0.102 745 HE2 TYR 72 HE1 TYR 72 5.308 10.430 -2.470 746 HH TYR 72 HH TYR 72 4.129 10.846 -0.183 747 QB TYR 72 QB TYR 72 3.984 6.364 -4.829 748 QR TYR 72 QR TYR 72 4.099 8.326 -2.134 749 H THR 73 HN THR 73 2.213 8.435 -5.842 750 HA THR 73 HA THR 73 1.306 10.450 -4.262 751 HB THR 73 HB THR 73 0.085 10.608 -6.943 752 HG1 THR 73 1HG THR 73 1.792 9.830 -7.994 753 1HG2 THR 73 2HG2 THR 73 0.913 12.591 -5.570 754 2HG2 THR 73 3HG2 THR 73 2.544 11.952 -5.733 755 3HG2 THR 73 1HG2 THR 73 1.668 12.494 -7.159 756 QG2 THR 73 QG2 THR 73 1.708 12.345 -6.154 757 H ASP 74 HN ASP 74 -0.997 8.388 -6.100 758 HA ASP 74 HA ASP 74 -3.264 9.741 -4.862 759 1HB ASP 74 2HB ASP 74 -4.570 7.785 -5.876 760 2HB ASP 74 3HB ASP 74 -3.682 8.797 -7.013 761 QB ASP 74 QB ASP 74 -4.126 8.291 -6.445 762 H PHE 75 HN PHE 75 -1.925 6.414 -4.461 763 HA PHE 75 HA PHE 75 -3.642 5.592 -2.387 764 1HB PHE 75 2HB PHE 75 -1.990 4.076 -3.330 765 2HB PHE 75 3HB PHE 75 -0.669 5.078 -2.752 766 HD1 PHE 75 2HD PHE 75 -3.744 3.436 -1.293 767 HD2 PHE 75 1HD PHE 75 0.400 4.307 -0.835 768 HE1 PHE 75 2HE PHE 75 -3.711 2.197 0.831 769 HE2 PHE 75 1HE PHE 75 0.425 3.071 1.280 770 HZ PHE 75 HZ PHE 75 -1.631 2.049 2.138 771 QB PHE 75 QB PHE 75 -1.329 4.577 -3.041 772 QR PHE 75 QR PHE 75 -1.657 3.253 -0.004 773 H ALA 76 HN ALA 76 -0.842 7.623 -2.277 774 HA ALA 76 HA ALA 76 -0.498 8.033 0.489 775 1HB ALA 76 1HB ALA 76 1.111 8.729 -1.286 776 2HB ALA 76 2HB ALA 76 -0.016 9.956 -1.826 777 3HB ALA 76 3HB ALA 76 0.720 10.085 -0.237 778 QB ALA 76 QB ALA 76 0.605 9.590 -1.117 779 H ALA 77 HN ALA 77 -2.015 10.351 -1.764 780 HA ALA 77 HA ALA 77 -3.234 11.921 0.292 781 1HB ALA 77 1HB ALA 77 -4.200 11.420 -2.570 782 2HB ALA 77 2HB ALA 77 -4.765 12.722 -1.527 783 3HB ALA 77 3HB ALA 77 -3.092 12.694 -2.072 784 QB ALA 77 QB ALA 77 -4.019 12.279 -2.056 785 CH2 TRP 78 CH2 TRP 78 -6.950 3.134 1.531 786 H TRP 78 HN TRP 78 -4.607 9.388 -1.754 787 HA TRP 78 HA TRP 78 -7.165 9.105 -0.771 788 1HB TRP 78 2HB TRP 78 -6.367 7.697 -2.532 789 2HB TRP 78 3HB TRP 78 -5.123 7.026 -1.525 790 HD1 TRP 78 HD1 TRP 78 -8.844 6.628 -2.321 791 HE1 TRP 78 HE1 TRP 78 -9.766 4.651 -1.105 792 HE3 TRP 78 HE3 TRP 78 -4.807 5.481 0.354 793 HZ2 TRP 78 HZ2 TRP 78 -8.978 2.882 0.915 794 HZ3 TRP 78 HZ3 TRP 78 -4.924 3.620 1.983 795 HH2 TRP 78 HH2 TRP 78 -6.979 2.313 2.228 796 QB TRP 78 QB TRP 78 -5.745 7.362 -2.028 797 H VAL 79 HN VAL 79 -4.264 7.602 0.581 798 HA VAL 79 HA VAL 79 -5.344 6.315 2.805 799 HB VAL 79 HB VAL 79 -2.681 7.553 2.180 800 1HG1 VAL 79 3HG1 VAL 79 -3.419 6.661 4.989 801 2HG1 VAL 79 1HG1 VAL 79 -1.782 6.976 4.432 802 3HG1 VAL 79 2HG1 VAL 79 -2.946 8.287 4.518 803 1HG2 VAL 79 2HG2 VAL 79 -3.561 4.833 3.200 804 2HG2 VAL 79 3HG2 VAL 79 -3.169 5.238 1.536 805 3HG2 VAL 79 1HG2 VAL 79 -1.912 5.258 2.760 806 QG1 VAL 79 QG1 VAL 79 -2.716 7.308 4.646 807 QG2 VAL 79 QG2 VAL 79 -2.881 5.110 2.498 808 QQG VAL 79 QQG VAL 79 -2.798 6.209 3.572 809 H LYS 80 HN LYS 80 -3.978 9.611 2.816 810 HA LYS 80 HA LYS 80 -4.838 10.325 5.398 811 1HB LYS 80 2HB LYS 80 -3.328 11.632 3.757 812 2HB LYS 80 3HB LYS 80 -4.815 12.253 3.060 813 1HG LYS 80 2HG LYS 80 -4.622 12.383 6.041 814 2HG LYS 80 3HG LYS 80 -3.550 13.449 5.145 815 1HD LYS 80 2HD LYS 80 -5.334 14.610 4.127 816 2HD LYS 80 3HD LYS 80 -6.480 13.317 4.404 817 1HE LYS 80 2HE LYS 80 -5.245 14.732 6.765 818 2HE LYS 80 3HE LYS 80 -6.575 15.487 5.893 819 1HZ LYS 80 2HZ LYS 80 -7.226 12.791 6.391 820 2HZ LYS 80 3HZ LYS 80 -6.750 13.531 7.864 821 3HZ LYS 80 1HZ LYS 80 -7.987 14.201 6.922 822 QB LYS 80 QB LYS 80 -4.071 11.943 3.409 823 QG LYS 80 QG LYS 80 -4.086 12.916 5.593 824 QD LYS 80 QD LYS 80 -5.907 13.964 4.266 825 QE LYS 80 QE LYS 80 -5.910 15.109 6.329 826 QZ LYS 80 QZ LYS 80 -7.321 13.508 7.059 827 H GLU 81 HN GLU 81 -6.514 10.768 2.360 828 HA GLU 81 HA GLU 81 -8.767 12.196 3.262 829 1HB GLU 81 2HB GLU 81 -8.638 10.107 1.050 830 2HB GLU 81 3HB GLU 81 -9.893 11.322 1.223 831 1HG GLU 81 2HG GLU 81 -8.379 13.107 0.727 832 2HG GLU 81 3HG GLU 81 -6.972 12.078 0.931 833 QB GLU 81 QB GLU 81 -9.266 10.715 1.137 834 QG GLU 81 QG GLU 81 -7.675 12.593 0.829 835 H ASN 82 HN ASN 82 -8.568 8.690 2.747 836 HA ASN 82 HA ASN 82 -11.201 8.435 4.041 837 1HB ASN 82 2HB ASN 82 -9.408 6.322 2.811 838 2HB ASN 82 3HB ASN 82 -11.095 6.113 3.276 839 1HD2 ASN 82 2HD2 ASN 82 -10.181 8.152 -0.132 840 2HD2 ASN 82 1HD2 ASN 82 -8.960 7.600 0.912 841 QB ASN 82 QB ASN 82 -10.251 6.218 3.044 842 QD2 ASN 82 QD2 ASN 82 -9.571 7.876 0.390 843 H LEU 83 HN LEU 83 -7.870 7.750 4.973 844 HA LEU 83 HA LEU 83 -8.866 6.138 7.241 845 1HB LEU 83 2HB LEU 83 -6.048 7.046 6.560 846 2HB LEU 83 3HB LEU 83 -6.471 5.919 7.842 847 HG LEU 83 HG LEU 83 -6.894 5.510 4.856 848 1HD1 LEU 83 1HD1 LEU 83 -4.584 5.198 5.700 849 2HD1 LEU 83 2HD1 LEU 83 -5.179 4.064 6.905 850 3HD1 LEU 83 3HD1 LEU 83 -5.288 3.671 5.194 851 1HD2 LEU 83 1HD2 LEU 83 -7.657 3.737 7.216 852 2HD2 LEU 83 2HD2 LEU 83 -8.775 4.511 6.094 853 3HD2 LEU 83 3HD2 LEU 83 -7.702 3.244 5.526 854 QB LEU 83 QB LEU 83 -6.260 6.483 7.201 855 QD1 LEU 83 QD1 LEU 83 -5.017 4.311 5.933 856 QD2 LEU 83 QD2 LEU 83 -8.045 3.831 6.279 857 QQD LEU 83 QQD LEU 83 -6.531 4.071 6.106 858 H ASP 84 HN ASP 84 -8.075 9.448 6.638 859 HA ASP 84 HA ASP 84 -8.117 9.869 9.618 860 1HB ASP 84 2HB ASP 84 -5.904 10.269 8.339 861 2HB ASP 84 3HB ASP 84 -6.694 11.643 7.629 862 QB ASP 84 QB ASP 84 -6.299 10.956 7.984 863 H ALA 85 HN ALA 85 -8.790 11.355 6.517 864 HA ALA 85 HA ALA 85 -10.928 12.275 5.859 865 1HB ALA 85 2HB ALA 85 -12.021 11.805 8.073 866 2HB ALA 85 3HB ALA 85 -11.208 13.219 8.736 867 3HB ALA 85 1HB ALA 85 -12.394 13.410 7.454 868 QB ALA 85 QB ALA 85 -11.874 12.811 8.088 Start of MODEL 13 Raw file had 868 H/Q atoms Start of MODEL 13 1 H MET 1 HN MET 1 -7.590 -4.113 8.131 2 HA MET 1 HA MET 1 -9.208 -4.438 5.873 3 1HB MET 1 2HB MET 1 -7.724 -1.796 5.969 4 2HB MET 1 3HB MET 1 -8.175 -2.576 4.459 5 1HG MET 1 2HG MET 1 -10.520 -2.601 5.142 6 2HG MET 1 3HG MET 1 -10.121 -1.815 6.648 7 1HE MET 1 2HE MET 1 -8.592 0.182 6.607 8 2HE MET 1 3HE MET 1 -9.029 1.634 5.713 9 3HE MET 1 1HE MET 1 -10.165 0.942 6.874 10 QB MET 1 QB MET 1 -7.949 -2.186 5.214 11 QG MET 1 QG MET 1 -10.321 -2.208 5.895 12 QE MET 1 QE MET 1 -9.262 0.919 6.398 13 H GLN 2 HN GLN 2 -7.717 -4.589 3.861 14 HA GLN 2 HA GLN 2 -5.044 -5.614 4.687 15 1HB GLN 2 2HB GLN 2 -6.498 -6.851 2.400 16 2HB GLN 2 3HB GLN 2 -5.398 -7.584 3.551 17 1HG GLN 2 2HG GLN 2 -7.140 -7.569 5.289 18 2HG GLN 2 3HG GLN 2 -8.247 -6.730 4.197 19 1HE2 GLN 2 2HE2 GLN 2 -9.186 -9.628 2.484 20 2HE2 GLN 2 1HE2 GLN 2 -9.366 -7.946 2.651 21 QB GLN 2 QB GLN 2 -5.948 -7.217 2.975 22 QG GLN 2 QG GLN 2 -7.694 -7.150 4.743 23 QE2 GLN 2 QE2 GLN 2 -9.276 -8.787 2.567 24 H THR 3 HN THR 3 -3.469 -4.486 3.516 25 HA THR 3 HA THR 3 -4.315 -3.387 0.841 26 HB THR 3 HB THR 3 -2.268 -2.168 2.761 27 HG1 THR 3 1HG THR 3 -4.596 -2.159 3.264 28 1HG2 THR 3 1HG2 THR 3 -3.588 -1.108 0.216 29 2HG2 THR 3 2HG2 THR 3 -2.456 -0.218 1.231 30 3HG2 THR 3 3HG2 THR 3 -1.905 -1.615 0.313 31 QG2 THR 3 QG2 THR 3 -2.650 -0.980 0.587 32 H VAL 4 HN VAL 4 -3.001 -3.786 -0.910 33 HA VAL 4 HA VAL 4 -0.471 -5.342 -0.354 34 HB VAL 4 HB VAL 4 -2.207 -5.605 -2.826 35 1HG1 VAL 4 2HG1 VAL 4 0.039 -7.306 -1.654 36 2HG1 VAL 4 3HG1 VAL 4 -0.844 -7.669 -3.130 37 3HG1 VAL 4 1HG1 VAL 4 0.188 -6.246 -3.056 38 1HG2 VAL 4 1HG2 VAL 4 -2.119 -7.375 -0.350 39 2HG2 VAL 4 2HG2 VAL 4 -3.484 -6.377 -0.840 40 3HG2 VAL 4 3HG2 VAL 4 -2.993 -7.749 -1.831 41 QG1 VAL 4 QG1 VAL 4 -0.206 -7.074 -2.613 42 QG2 VAL 4 QG2 VAL 4 -2.865 -7.167 -1.007 43 QQG VAL 4 QQG VAL 4 -1.536 -7.120 -1.810 44 H ILE 5 HN ILE 5 1.274 -4.401 -0.960 45 HA ILE 5 HA ILE 5 1.192 -2.161 -2.940 46 HB ILE 5 HB ILE 5 3.186 -2.932 -0.762 47 1HG1 ILE 5 2HG1 ILE 5 2.651 -0.709 0.204 48 2HG1 ILE 5 3HG1 ILE 5 1.470 -0.442 -1.069 49 1HG2 ILE 5 3HG2 ILE 5 3.348 -0.646 -2.770 50 2HG2 ILE 5 1HG2 ILE 5 4.435 -0.893 -1.408 51 3HG2 ILE 5 2HG2 ILE 5 4.404 -2.058 -2.720 52 1HD1 ILE 5 3HD1 ILE 5 1.334 -2.745 0.899 53 2HD1 ILE 5 1HD1 ILE 5 0.482 -1.222 1.107 54 3HD1 ILE 5 2HD1 ILE 5 0.089 -2.266 -0.244 55 QG1 ILE 5 QG1 ILE 5 2.060 -0.575 -0.433 56 QG2 ILE 5 QG2 ILE 5 4.062 -1.199 -2.299 57 QD1 ILE 5 QD1 ILE 5 0.635 -2.077 0.588 58 H PHE 6 HN PHE 6 1.880 -2.735 -4.963 59 HA PHE 6 HA PHE 6 3.610 -5.139 -5.273 60 1HB PHE 6 2HB PHE 6 2.140 -3.502 -7.380 61 2HB PHE 6 3HB PHE 6 2.968 -5.027 -7.656 62 HD1 PHE 6 2HD PHE 6 0.216 -3.541 -5.569 63 HD2 PHE 6 1HD PHE 6 1.717 -7.027 -7.512 64 HE1 PHE 6 2HE PHE 6 -1.817 -4.769 -4.953 65 HE2 PHE 6 1HE PHE 6 -0.342 -8.227 -6.953 66 HZ PHE 6 HZ PHE 6 -2.126 -7.092 -5.686 67 QB PHE 6 QB PHE 6 2.554 -4.264 -7.518 68 QR PHE 6 QR PHE 6 -0.056 -5.891 -6.247 69 H GLY 7 HN GLY 7 5.658 -4.272 -4.755 70 1HA GLY 7 1HA GLY 7 6.558 -1.965 -6.472 71 2HA GLY 7 2HA GLY 7 7.164 -2.244 -4.845 72 QA GLY 7 QA GLY 7 6.861 -2.104 -5.658 73 NH1 ARG 8 NH2 ARG 8 13.189 -1.364 -9.720 74 NH2 ARG 8 NH1 ARG 8 12.478 -0.581 -11.760 75 H ARG 8 HN ARG 8 9.236 -2.091 -6.211 76 HA ARG 8 HA ARG 8 9.982 -4.868 -7.098 77 1HB ARG 8 2HB ARG 8 11.221 -2.289 -8.153 78 2HB ARG 8 3HB ARG 8 11.512 -3.911 -8.741 79 1HG ARG 8 2HG ARG 8 9.443 -4.028 -9.834 80 2HG ARG 8 3HG ARG 8 8.747 -2.722 -8.883 81 1HD ARG 8 2HD ARG 8 9.471 -2.140 -11.293 82 2HD ARG 8 3HD ARG 8 10.054 -1.069 -10.027 83 HE ARG 8 HE ARG 8 11.768 -3.273 -11.148 84 1HH1 ARG 8 2HH2 ARG 8 13.090 -2.047 -8.999 85 2HH1 ARG 8 1HH2 ARG 8 13.869 -0.626 -9.605 86 1HH2 ARG 8 2HH1 ARG 8 11.842 -0.679 -12.531 87 2HH2 ARG 8 1HH1 ARG 8 13.142 0.166 -11.755 88 QB ARG 8 QB ARG 8 11.367 -3.100 -8.447 89 QG ARG 8 QG ARG 8 9.095 -3.375 -9.359 90 QD ARG 8 QD ARG 8 9.762 -1.605 -10.660 91 QH1 ARG 8 QH2 ARG 8 13.479 -1.337 -9.302 92 QH2 ARG 8 QH1 ARG 8 12.492 -0.256 -12.143 93 H SER 9 HN SER 9 10.230 -3.464 -4.477 94 HA SER 9 HA SER 9 11.904 -2.738 -2.925 95 1HB SER 9 2HB SER 9 13.022 -5.331 -4.057 96 2HB SER 9 3HB SER 9 13.476 -4.614 -2.497 97 HG SER 9 HG SER 9 11.300 -6.062 -3.122 98 QB SER 9 QB SER 9 13.249 -4.973 -3.277 99 H GLY 10 HN GLY 10 12.361 -1.154 -5.028 100 1HA GLY 10 1HA GLY 10 14.896 -0.153 -4.873 101 2HA GLY 10 2HA GLY 10 15.120 -1.489 -6.002 102 QA GLY 10 QA GLY 10 15.008 -0.821 -5.437 103 H CYS 11 HN CYS 11 12.594 0.877 -5.488 104 HA CYS 11 HA CYS 11 13.050 2.151 -8.087 105 1HB CYS 11 2HB CYS 11 10.451 1.821 -8.468 106 2HB CYS 11 3HB CYS 11 11.605 0.644 -9.035 107 QB CYS 11 QB CYS 11 11.028 1.232 -8.752 108 HA PRO 12 HA PRO 12 13.099 3.843 -4.072 109 1HB PRO 12 2HB PRO 12 12.623 6.587 -5.193 110 2HB PRO 12 3HB PRO 12 13.848 6.037 -4.042 111 1HG PRO 12 2HG PRO 12 14.371 6.465 -6.728 112 2HG PRO 12 3HG PRO 12 15.291 5.338 -5.729 113 1HD PRO 12 2HD PRO 12 13.402 4.740 -7.906 114 2HD PRO 12 3HD PRO 12 14.539 3.646 -7.095 115 QB PRO 12 QB PRO 12 13.236 6.312 -4.617 116 QG PRO 12 QG PRO 12 14.831 5.901 -6.229 117 QD PRO 12 QD PRO 12 13.970 4.193 -7.500 118 OH TYR 13 OH TYR 13 9.602 11.535 -7.009 119 H TYR 13 HN TYR 13 10.698 5.782 -5.873 120 HA TYR 13 HA TYR 13 8.909 6.437 -3.874 121 1HB TYR 13 2HB TYR 13 8.367 5.524 -6.709 122 2HB TYR 13 3HB TYR 13 7.080 6.113 -5.661 123 HD1 TYR 13 HD1 TYR 13 7.733 8.384 -4.363 124 HD2 TYR 13 HD2 TYR 13 9.441 7.139 -8.055 125 HE1 TYR 13 HE1 TYR 13 8.375 10.698 -4.847 126 HE2 TYR 13 HE2 TYR 13 10.069 9.456 -8.545 127 HH TYR 13 HH TYR 13 10.543 11.561 -7.198 128 QB TYR 13 QB TYR 13 7.723 5.819 -6.185 129 QR TYR 13 QR TYR 13 8.905 8.919 -6.453 130 H CYS 14 HN CYS 14 9.182 3.300 -5.404 131 HA CYS 14 HA CYS 14 6.938 1.925 -4.422 132 1HB CYS 14 2HB CYS 14 9.785 0.949 -4.701 133 2HB CYS 14 3HB CYS 14 8.420 -0.096 -4.450 134 QB CYS 14 QB CYS 14 9.102 0.427 -4.576 135 H VAL 15 HN VAL 15 10.057 2.462 -2.829 136 HA VAL 15 HA VAL 15 9.562 0.890 -0.507 137 HB VAL 15 HB VAL 15 11.216 3.423 -0.783 138 1HG1 VAL 15 2HG1 VAL 15 10.711 2.776 1.589 139 2HG1 VAL 15 3HG1 VAL 15 11.337 1.168 1.266 140 3HG1 VAL 15 1HG1 VAL 15 12.413 2.560 1.195 141 1HG2 VAL 15 3HG2 VAL 15 11.808 1.606 -2.374 142 2HG2 VAL 15 1HG2 VAL 15 13.065 1.807 -1.157 143 3HG2 VAL 15 2HG2 VAL 15 11.919 0.471 -1.035 144 QG1 VAL 15 QG1 VAL 15 11.487 2.168 1.350 145 QG2 VAL 15 QG2 VAL 15 12.264 1.295 -1.522 146 QQG VAL 15 QQG VAL 15 11.875 1.731 -0.086 147 NH1 ARG 16 NH1 ARG 16 10.533 5.206 2.332 148 NH2 ARG 16 NH2 ARG 16 9.471 6.688 3.717 149 H ARG 16 HN ARG 16 8.919 4.346 -1.094 150 HA ARG 16 HA ARG 16 7.995 5.143 1.413 151 1HB ARG 16 2HB ARG 16 6.929 5.838 -1.342 152 2HB ARG 16 3HB ARG 16 6.306 6.601 0.114 153 1HG ARG 16 2HG ARG 16 9.250 6.560 -0.645 154 2HG ARG 16 3HG ARG 16 8.165 7.893 -1.012 155 1HD ARG 16 2HD ARG 16 8.531 8.725 1.059 156 2HD ARG 16 3HD ARG 16 7.782 7.287 1.754 157 HE ARG 16 HE ARG 16 10.722 7.589 1.219 158 1HH1 ARG 16 2HH1 ARG 16 10.903 5.007 1.427 159 2HH1 ARG 16 1HH1 ARG 16 10.589 4.506 3.061 160 1HH2 ARG 16 2HH2 ARG 16 9.075 7.592 3.842 161 2HH2 ARG 16 1HH2 ARG 16 9.484 6.038 4.482 162 QB ARG 16 QB ARG 16 6.618 6.219 -0.614 163 QG ARG 16 QG ARG 16 8.707 7.227 -0.828 164 QD ARG 16 QD ARG 16 8.156 8.006 1.406 165 QH1 ARG 16 QH1 ARG 16 10.746 4.757 2.244 166 QH2 ARG 16 QH2 ARG 16 9.279 6.815 4.162 167 H ALA 17 HN ALA 17 6.071 3.498 -1.055 168 HA ALA 17 HA ALA 17 3.595 3.329 0.227 169 1HB ALA 17 2HB ALA 17 5.011 1.101 -1.272 170 2HB ALA 17 3HB ALA 17 3.279 1.168 -0.952 171 3HB ALA 17 1HB ALA 17 4.029 2.362 -2.004 172 QB ALA 17 QB ALA 17 4.106 1.544 -1.409 173 H LYS 18 HN LYS 18 6.452 1.298 0.851 174 HA LYS 18 HA LYS 18 5.155 -0.456 2.722 175 1HB LYS 18 2HB LYS 18 7.273 -1.001 1.545 176 2HB LYS 18 3HB LYS 18 8.089 0.317 2.362 177 1HG LYS 18 2HG LYS 18 6.711 -1.861 3.948 178 2HG LYS 18 3HG LYS 18 8.329 -2.115 3.308 179 1HD LYS 18 2HD LYS 18 9.001 0.078 4.416 180 2HD LYS 18 3HD LYS 18 7.448 0.063 5.227 181 1HE LYS 18 2HE LYS 18 9.632 -2.041 5.456 182 2HE LYS 18 3HE LYS 18 9.104 -0.935 6.715 183 1HZ LYS 18 1HZ LYS 18 6.844 -2.311 5.818 184 2HZ LYS 18 2HZ LYS 18 8.066 -3.458 6.083 185 3HZ LYS 18 3HZ LYS 18 7.600 -2.399 7.328 186 QB LYS 18 QB LYS 18 7.681 -0.342 1.953 187 QG LYS 18 QG LYS 18 7.520 -1.988 3.628 188 QD LYS 18 QD LYS 18 8.224 0.070 4.822 189 QE LYS 18 QE LYS 18 9.368 -1.488 6.085 190 QZ LYS 18 QZ LYS 18 7.503 -2.723 6.410 191 H ASP 19 HN ASP 19 7.345 2.305 3.117 192 HA ASP 19 HA ASP 19 7.274 2.554 5.910 193 1HB ASP 19 2HB ASP 19 7.360 4.740 3.808 194 2HB ASP 19 3HB ASP 19 7.777 4.952 5.500 195 QB ASP 19 QB ASP 19 7.568 4.846 4.654 196 H LEU 20 HN LEU 20 5.039 3.927 3.554 197 HA LEU 20 HA LEU 20 3.434 5.291 5.515 198 1HB LEU 20 2HB LEU 20 3.535 5.881 3.065 199 2HB LEU 20 3HB LEU 20 2.642 4.408 2.718 200 HG LEU 20 HG LEU 20 0.761 5.226 4.146 201 1HD1 LEU 20 3HD1 LEU 20 2.461 7.746 4.307 202 2HD1 LEU 20 1HD1 LEU 20 0.777 7.641 4.804 203 3HD1 LEU 20 2HD1 LEU 20 2.003 6.715 5.660 204 1HD2 LEU 20 1HD2 LEU 20 1.654 7.137 1.954 205 2HD2 LEU 20 2HD2 LEU 20 0.754 5.648 1.705 206 3HD2 LEU 20 3HD2 LEU 20 0.006 6.991 2.561 207 QB LEU 20 QB LEU 20 3.089 5.145 2.891 208 QD1 LEU 20 QD1 LEU 20 1.747 7.367 4.924 209 QD2 LEU 20 QD2 LEU 20 0.805 6.592 2.073 210 QQD LEU 20 QQD LEU 20 1.276 6.979 3.499 211 H ALA 21 HN ALA 21 2.947 2.236 3.710 212 HA ALA 21 HA ALA 21 0.489 1.564 4.966 213 1HB ALA 21 2HB ALA 21 1.513 0.345 3.001 214 2HB ALA 21 3HB ALA 21 2.699 -0.350 4.100 215 3HB ALA 21 1HB ALA 21 0.993 -0.732 4.282 216 QB ALA 21 QB ALA 21 1.735 -0.246 3.795 217 H GLU 22 HN GLU 22 3.841 0.985 5.838 218 HA GLU 22 HA GLU 22 3.536 -0.500 8.202 219 1HB GLU 22 2HB GLU 22 5.673 0.148 6.953 220 2HB GLU 22 3HB GLU 22 5.557 1.714 7.732 221 1HG GLU 22 2HG GLU 22 6.733 0.791 9.416 222 2HG GLU 22 3HG GLU 22 5.253 -0.057 9.860 223 QB GLU 22 QB GLU 22 5.615 0.931 7.342 224 QG GLU 22 QG GLU 22 5.993 0.367 9.638 225 H LYS 23 HN LYS 23 3.985 2.977 7.814 226 HA LYS 23 HA LYS 23 3.564 3.957 10.319 227 1HB LYS 23 2HB LYS 23 3.822 5.426 8.366 228 2HB LYS 23 3HB LYS 23 2.237 4.974 7.773 229 1HG LYS 23 2HG LYS 23 1.142 6.011 9.668 230 2HG LYS 23 3HG LYS 23 2.683 6.272 10.460 231 1HD LYS 23 2HD LYS 23 3.369 7.816 8.645 232 2HD LYS 23 3HD LYS 23 1.840 7.534 7.827 233 1HE LYS 23 2HE LYS 23 1.803 9.642 9.149 234 2HE LYS 23 3HE LYS 23 0.597 8.494 9.710 235 1HZ LYS 23 3HZ LYS 23 2.994 8.026 11.114 236 2HZ LYS 23 1HZ LYS 23 2.633 9.683 11.200 237 3HZ LYS 23 2HZ LYS 23 1.501 8.527 11.716 238 QB LYS 23 QB LYS 23 3.030 5.200 8.069 239 QG LYS 23 QG LYS 23 1.912 6.142 10.064 240 QD LYS 23 QD LYS 23 2.604 7.675 8.236 241 QE LYS 23 QE LYS 23 1.200 9.068 9.430 242 QZ LYS 23 QZ LYS 23 2.376 8.746 11.343 243 H LEU 24 HN LEU 24 0.867 3.343 8.091 244 HA LEU 24 HA LEU 24 -1.205 3.661 10.017 245 1HB LEU 24 2HB LEU 24 -0.990 2.098 7.426 246 2HB LEU 24 3HB LEU 24 -2.468 2.056 8.371 247 HG LEU 24 HG LEU 24 -1.191 4.675 7.574 248 1HD1 LEU 24 1HD1 LEU 24 -3.226 3.005 6.042 249 2HD1 LEU 24 2HD1 LEU 24 -2.753 4.648 5.630 250 3HD1 LEU 24 3HD1 LEU 24 -1.580 3.346 5.526 251 1HD2 LEU 24 3HD2 LEU 24 -4.039 3.830 8.286 252 2HD2 LEU 24 1HD2 LEU 24 -2.950 4.747 9.323 253 3HD2 LEU 24 2HD2 LEU 24 -3.557 5.461 7.833 254 QB LEU 24 QB LEU 24 -1.729 2.077 7.898 255 QD1 LEU 24 QD1 LEU 24 -2.520 3.666 5.733 256 QD2 LEU 24 QD2 LEU 24 -3.515 4.679 8.480 257 QQD LEU 24 QQD LEU 24 -3.017 4.173 7.106 258 H SER 25 HN SER 25 0.151 0.543 8.843 259 HA SER 25 HA SER 25 -1.350 -1.106 10.565 260 1HB SER 25 2HB SER 25 0.760 -2.675 10.375 261 2HB SER 25 3HB SER 25 -0.148 -2.264 8.911 262 HG SER 25 HG SER 25 1.778 -0.428 9.723 263 QB SER 25 QB SER 25 0.306 -2.469 9.643 264 H ASN 26 HN ASN 26 1.148 1.054 11.573 265 HA ASN 26 HA ASN 26 1.407 -0.418 14.180 266 1HB ASN 26 2HB ASN 26 3.571 0.106 13.271 267 2HB ASN 26 3HB ASN 26 3.092 1.750 12.874 268 1HD2 ASN 26 2HD2 ASN 26 3.562 2.942 16.219 269 2HD2 ASN 26 1HD2 ASN 26 2.863 3.296 14.717 270 QB ASN 26 QB ASN 26 3.331 0.928 13.073 271 QD2 ASN 26 QD2 ASN 26 3.213 3.119 15.468 272 H GLU 27 HN GLU 27 0.824 2.724 12.806 273 HA GLU 27 HA GLU 27 0.130 4.014 15.320 274 1HB GLU 27 2HB GLU 27 0.179 4.764 12.399 275 2HB GLU 27 3HB GLU 27 -0.507 5.865 13.578 276 1HG GLU 27 2HG GLU 27 1.687 5.604 14.904 277 2HG GLU 27 3HG GLU 27 2.331 4.751 13.505 278 QB GLU 27 QB GLU 27 -0.164 5.314 12.989 279 QG GLU 27 QG GLU 27 2.009 5.178 14.205 280 NH1 ARG 28 NH1 ARG 28 -9.141 3.321 10.712 281 NH2 ARG 28 NH2 ARG 28 -9.025 1.210 9.829 282 H ARG 28 HN ARG 28 -1.592 2.262 12.953 283 HA ARG 28 HA ARG 28 -4.212 3.173 14.077 284 1HB ARG 28 2HB ARG 28 -3.561 3.618 11.579 285 2HB ARG 28 3HB ARG 28 -3.819 1.897 11.360 286 1HG ARG 28 2HG ARG 28 -6.024 3.065 12.863 287 2HG ARG 28 3HG ARG 28 -5.776 3.937 11.360 288 1HD ARG 28 2HD ARG 28 -6.202 2.049 10.032 289 2HD ARG 28 3HD ARG 28 -5.805 0.919 11.330 290 HE ARG 28 HE ARG 28 -7.932 1.618 12.443 291 1HH1 ARG 28 2HH1 ARG 28 -8.785 3.981 11.376 292 2HH1 ARG 28 1HH1 ARG 28 -9.889 3.579 10.105 293 1HH2 ARG 28 2HH2 ARG 28 -8.580 0.305 9.815 294 2HH2 ARG 28 1HH2 ARG 28 -9.784 1.376 9.209 295 QB ARG 28 QB ARG 28 -3.690 2.757 11.469 296 QG ARG 28 QG ARG 28 -5.900 3.501 12.111 297 QD ARG 28 QD ARG 28 -6.004 1.484 10.681 298 QH1 ARG 28 QH1 ARG 28 -9.337 3.780 10.740 299 QH2 ARG 28 QH2 ARG 28 -9.182 0.841 9.512 300 H ASP 29 HN ASP 29 -5.923 1.257 13.478 301 HA ASP 29 HA ASP 29 -4.694 -1.271 14.500 302 1HB ASP 29 2HB ASP 29 -7.027 -1.733 15.443 303 2HB ASP 29 3HB ASP 29 -6.121 -0.444 16.214 304 QB ASP 29 QB ASP 29 -6.574 -1.089 15.829 305 H ASP 30 HN ASP 30 -7.648 -0.332 12.699 306 HA ASP 30 HA ASP 30 -7.778 -2.979 11.486 307 1HB ASP 30 2HB ASP 30 -9.882 -2.017 11.902 308 2HB ASP 30 3HB ASP 30 -9.418 -0.455 11.276 309 QB ASP 30 QB ASP 30 -9.650 -1.236 11.589 310 H PHE 31 HN PHE 31 -5.316 -2.176 10.793 311 HA PHE 31 HA PHE 31 -5.579 -1.909 7.856 312 1HB PHE 31 2HB PHE 31 -5.199 0.411 8.739 313 2HB PHE 31 3HB PHE 31 -3.656 -0.129 9.389 314 HD1 PHE 31 2HD PHE 31 -5.606 0.172 6.196 315 HD2 PHE 31 1HD PHE 31 -1.756 -0.354 7.955 316 HE1 PHE 31 2HE PHE 31 -4.558 0.407 3.985 317 HE2 PHE 31 1HE PHE 31 -0.723 -0.113 5.756 318 HZ PHE 31 HZ PHE 31 -2.117 0.255 3.760 319 QB PHE 31 QB PHE 31 -4.428 0.141 9.064 320 QR PHE 31 QR PHE 31 -3.161 0.028 5.973 321 H GLN 32 HN GLN 32 -4.896 -4.015 7.646 322 HA GLN 32 HA GLN 32 -2.113 -4.643 8.522 323 1HB GLN 32 2HB GLN 32 -4.399 -6.411 7.555 324 2HB GLN 32 3HB GLN 32 -2.770 -7.002 7.837 325 1HG GLN 32 2HG GLN 32 -4.267 -7.440 9.783 326 2HG GLN 32 3HG GLN 32 -2.910 -6.409 10.208 327 1HE2 GLN 32 2HE2 GLN 32 -5.112 -4.072 11.590 328 2HE2 GLN 32 1HE2 GLN 32 -3.693 -4.988 11.729 329 QB GLN 32 QB GLN 32 -3.584 -6.707 7.696 330 QG GLN 32 QG GLN 32 -3.589 -6.924 9.995 331 QE2 GLN 32 QE2 GLN 32 -4.403 -4.530 11.659 332 OH TYR 33 OH TYR 33 5.206 -2.898 5.868 333 H TYR 33 HN TYR 33 -0.618 -4.589 6.901 334 HA TYR 33 HA TYR 33 -1.638 -4.653 4.093 335 1HB TYR 33 2HB TYR 33 -0.428 -2.764 3.499 336 2HB TYR 33 3HB TYR 33 -0.861 -2.337 5.150 337 HD1 TYR 33 HD2 TYR 33 1.844 -3.595 2.978 338 HD2 TYR 33 HD1 TYR 33 0.860 -2.248 6.895 339 HE1 TYR 33 HE2 TYR 33 4.216 -3.534 3.557 340 HE2 TYR 33 HE1 TYR 33 3.233 -2.247 7.477 341 HH TYR 33 HH TYR 33 5.251 -2.874 6.838 342 QB TYR 33 QB TYR 33 -0.645 -2.551 4.324 343 QR TYR 33 QR TYR 33 2.538 -2.906 5.226 344 H GLN 34 HN GLN 34 -0.148 -5.404 2.564 345 HA GLN 34 HA GLN 34 2.193 -6.858 3.686 346 1HB GLN 34 2HB GLN 34 0.319 -8.457 3.269 347 2HB GLN 34 3HB GLN 34 0.260 -7.927 1.590 348 1HG GLN 34 2HG GLN 34 1.567 -10.053 1.891 349 2HG GLN 34 3HG GLN 34 2.533 -8.757 1.200 350 1HE2 GLN 34 2HE2 GLN 34 3.547 -10.278 4.812 351 2HE2 GLN 34 1HE2 GLN 34 2.198 -10.862 3.965 352 QB GLN 34 QB GLN 34 0.289 -8.192 2.430 353 QG GLN 34 QG GLN 34 2.050 -9.405 1.545 354 QE2 GLN 34 QE2 GLN 34 2.872 -10.570 4.389 355 OH TYR 35 OH TYR 35 9.281 -3.708 -2.979 356 H TYR 35 HN TYR 35 4.011 -6.821 2.435 357 HA TYR 35 HA TYR 35 3.862 -4.952 0.114 358 1HB TYR 35 2HB TYR 35 5.463 -4.233 1.787 359 2HB TYR 35 3HB TYR 35 6.186 -5.837 1.862 360 HD1 TYR 35 HD2 TYR 35 5.526 -3.037 -0.540 361 HD2 TYR 35 HD1 TYR 35 7.993 -6.363 0.434 362 HE1 TYR 35 HE2 TYR 35 7.048 -2.445 -2.368 363 HE2 TYR 35 HE1 TYR 35 9.536 -5.736 -1.353 364 HH TYR 35 HH TYR 35 10.060 -4.281 -2.867 365 QB TYR 35 QB TYR 35 5.824 -5.035 1.825 366 QR TYR 35 QR TYR 35 7.526 -4.395 -0.957 367 H VAL 36 HN VAL 36 4.175 -5.673 -1.843 368 HA VAL 36 HA VAL 36 5.080 -8.477 -2.241 369 HB VAL 36 HB VAL 36 2.793 -6.829 -3.256 370 1HG1 VAL 36 2HG1 VAL 36 4.144 -8.905 -5.037 371 2HG1 VAL 36 3HG1 VAL 36 2.601 -8.115 -5.349 372 3HG1 VAL 36 1HG1 VAL 36 4.087 -7.174 -5.361 373 1HG2 VAL 36 2HG2 VAL 36 2.507 -8.726 -1.711 374 2HG2 VAL 36 3HG2 VAL 36 1.712 -9.051 -3.247 375 3HG2 VAL 36 1HG2 VAL 36 3.257 -9.806 -2.879 376 QG1 VAL 36 QG1 VAL 36 3.611 -8.065 -5.249 377 QG2 VAL 36 QG2 VAL 36 2.492 -9.194 -2.612 378 QQG VAL 36 QQG VAL 36 3.051 -8.629 -3.931 379 H ASP 37 HN ASP 37 6.500 -8.846 -3.887 380 HA ASP 37 HA ASP 37 7.790 -6.466 -5.186 381 1HB ASP 37 2HB ASP 37 9.154 -7.792 -3.425 382 2HB ASP 37 3HB ASP 37 9.135 -9.122 -4.575 383 QB ASP 37 QB ASP 37 9.145 -8.457 -4.000 384 H ILE 38 HN ILE 38 7.317 -6.506 -7.306 385 HA ILE 38 HA ILE 38 5.952 -8.604 -8.575 386 HB ILE 38 HB ILE 38 6.508 -7.547 -10.721 387 1HG1 ILE 38 2HG1 ILE 38 8.104 -5.391 -9.501 388 2HG1 ILE 38 3HG1 ILE 38 8.932 -6.938 -9.593 389 1HG2 ILE 38 3HG2 ILE 38 5.980 -5.562 -8.466 390 2HG2 ILE 38 1HG2 ILE 38 5.635 -5.274 -10.171 391 3HG2 ILE 38 2HG2 ILE 38 4.762 -6.530 -9.300 392 1HD1 ILE 38 3HD1 ILE 38 7.553 -5.544 -11.919 393 2HD1 ILE 38 1HD1 ILE 38 9.292 -5.626 -11.668 394 3HD1 ILE 38 2HD1 ILE 38 8.381 -7.095 -12.011 395 QG1 ILE 38 QG1 ILE 38 8.518 -6.165 -9.547 396 QG2 ILE 38 QG2 ILE 38 5.459 -5.789 -9.313 397 QD1 ILE 38 QD1 ILE 38 8.408 -6.088 -11.866 398 NH1 ARG 39 NH1 ARG 39 13.824 -7.795 -4.088 399 NH2 ARG 39 NH2 ARG 39 15.352 -7.353 -5.728 400 H ARG 39 HN ARG 39 9.409 -8.366 -8.011 401 HA ARG 39 HA ARG 39 9.970 -10.479 -10.016 402 1HB ARG 39 2HB ARG 39 12.268 -10.141 -9.549 403 2HB ARG 39 3HB ARG 39 11.556 -8.541 -9.414 404 1HG ARG 39 2HG ARG 39 11.322 -9.062 -6.880 405 2HG ARG 39 3HG ARG 39 12.391 -10.407 -7.175 406 1HD ARG 39 2HD ARG 39 14.221 -9.080 -7.368 407 2HD ARG 39 3HD ARG 39 13.370 -7.864 -8.320 408 HE ARG 39 HE ARG 39 12.362 -7.075 -6.098 409 1HH1 ARG 39 2HH1 ARG 39 12.854 -7.942 -3.857 410 2HH1 ARG 39 1HH1 ARG 39 14.518 -7.803 -3.369 411 1HH2 ARG 39 2HH2 ARG 39 15.522 -7.179 -6.699 412 2HH2 ARG 39 1HH2 ARG 39 16.115 -7.349 -5.081 413 QB ARG 39 QB ARG 39 11.912 -9.341 -9.481 414 QG ARG 39 QG ARG 39 11.856 -9.734 -7.027 415 QD ARG 39 QD ARG 39 13.795 -8.472 -7.844 416 QH1 ARG 39 QH1 ARG 39 13.686 -7.873 -3.613 417 QH2 ARG 39 QH2 ARG 39 15.818 -7.264 -5.890 418 H ALA 40 HN ALA 40 8.900 -10.530 -6.810 419 HA ALA 40 HA ALA 40 10.313 -13.071 -6.188 420 1HB ALA 40 1HB ALA 40 10.096 -11.374 -4.388 421 2HB ALA 40 2HB ALA 40 8.342 -11.442 -4.536 422 3HB ALA 40 3HB ALA 40 9.233 -12.851 -3.970 423 QB ALA 40 QB ALA 40 9.224 -11.889 -4.298 424 H GLU 41 HN GLU 41 7.107 -11.769 -6.823 425 HA GLU 41 HA GLU 41 5.871 -14.445 -6.686 426 1HB GLU 41 2HB GLU 41 4.782 -11.678 -7.287 427 2HB GLU 41 3HB GLU 41 3.796 -13.119 -7.474 428 1HG GLU 41 2HG GLU 41 4.285 -13.725 -5.085 429 2HG GLU 41 3HG GLU 41 5.175 -12.220 -4.917 430 QB GLU 41 QB GLU 41 4.289 -12.399 -7.380 431 QG GLU 41 QG GLU 41 4.730 -12.972 -5.001 432 H GLY 42 HN GLY 42 6.787 -12.129 -9.217 433 1HA GLY 42 1HA GLY 42 7.571 -13.083 -11.382 434 2HA GLY 42 2HA GLY 42 6.325 -14.317 -11.223 435 QA GLY 42 QA GLY 42 6.948 -13.700 -11.302 436 H ILE 43 HN ILE 43 6.367 -10.809 -10.949 437 HA ILE 43 HA ILE 43 3.999 -10.682 -12.762 438 HB ILE 43 HB ILE 43 4.930 -8.768 -10.591 439 1HG1 ILE 43 2HG1 ILE 43 2.607 -10.732 -10.579 440 2HG1 ILE 43 3HG1 ILE 43 4.128 -11.000 -9.741 441 1HG2 ILE 43 3HG2 ILE 43 3.613 -7.707 -12.440 442 2HG2 ILE 43 1HG2 ILE 43 2.320 -8.867 -12.135 443 3HG2 ILE 43 2HG2 ILE 43 2.750 -7.684 -10.911 444 1HD1 ILE 43 1HD1 ILE 43 3.741 -8.938 -8.395 445 2HD1 ILE 43 2HD1 ILE 43 2.207 -8.702 -9.220 446 3HD1 ILE 43 3HD1 ILE 43 2.439 -10.102 -8.183 447 QG1 ILE 43 QG1 ILE 43 3.368 -10.866 -10.160 448 QG2 ILE 43 QG2 ILE 43 2.894 -8.086 -11.829 449 QD1 ILE 43 QD1 ILE 43 2.796 -9.247 -8.599 450 H THR 44 HN THR 44 4.180 -9.419 -14.590 451 HA THR 44 HA THR 44 6.825 -8.082 -14.975 452 HB THR 44 HB THR 44 6.386 -8.272 -17.406 453 HG1 THR 44 1HG THR 44 3.946 -9.532 -16.575 454 1HG2 THR 44 1HG2 THR 44 7.250 -10.315 -16.202 455 2HG2 THR 44 2HG2 THR 44 5.586 -10.831 -15.948 456 3HG2 THR 44 3HG2 THR 44 6.238 -10.728 -17.584 457 QG2 THR 44 QG2 THR 44 6.358 -10.625 -16.578 458 H LYS 45 HN LYS 45 4.210 -7.190 -16.972 459 HA LYS 45 HA LYS 45 3.500 -4.833 -15.330 460 1HB LYS 45 2HB LYS 45 3.635 -3.380 -17.417 461 2HB LYS 45 3HB LYS 45 5.178 -3.852 -16.729 462 1HG LYS 45 2HG LYS 45 5.204 -5.782 -18.400 463 2HG LYS 45 3HG LYS 45 3.794 -5.029 -19.134 464 1HD LYS 45 2HD LYS 45 5.048 -2.985 -19.600 465 2HD LYS 45 3HD LYS 45 6.458 -3.625 -18.759 466 1HE LYS 45 2HE LYS 45 6.598 -3.887 -21.255 467 2HE LYS 45 3HE LYS 45 6.687 -5.422 -20.395 468 1HZ LYS 45 3HZ LYS 45 3.987 -4.746 -20.933 469 2HZ LYS 45 1HZ LYS 45 4.881 -4.742 -22.376 470 3HZ LYS 45 2HZ LYS 45 4.843 -6.125 -21.384 471 QB LYS 45 QB LYS 45 4.407 -3.616 -17.073 472 QG LYS 45 QG LYS 45 4.499 -5.406 -18.767 473 QD LYS 45 QD LYS 45 5.753 -3.305 -19.179 474 QE LYS 45 QE LYS 45 6.643 -4.655 -20.825 475 QZ LYS 45 QZ LYS 45 4.571 -5.204 -21.564 476 H GLU 46 HN GLU 46 2.956 -6.686 -18.322 477 HA GLU 46 HA GLU 46 0.314 -6.023 -18.901 478 1HB GLU 46 2HB GLU 46 1.792 -8.669 -18.997 479 2HB GLU 46 3HB GLU 46 0.086 -8.611 -19.413 480 1HG GLU 46 2HG GLU 46 1.611 -8.374 -21.403 481 2HG GLU 46 3HG GLU 46 0.509 -7.017 -21.204 482 QB GLU 46 QB GLU 46 0.939 -8.640 -19.205 483 QG GLU 46 QG GLU 46 1.060 -7.696 -21.303 484 H ASP 47 HN ASP 47 1.440 -8.490 -16.631 485 HA ASP 47 HA ASP 47 -0.888 -9.452 -15.485 486 1HB ASP 47 2HB ASP 47 1.630 -8.628 -14.005 487 2HB ASP 47 3HB ASP 47 0.422 -9.746 -13.393 488 QB ASP 47 QB ASP 47 1.026 -9.187 -13.699 489 H LEU 48 HN LEU 48 0.939 -6.694 -14.294 490 HA LEU 48 HA LEU 48 -0.900 -5.928 -12.273 491 1HB LEU 48 2HB LEU 48 1.098 -4.300 -13.873 492 2HB LEU 48 3HB LEU 48 0.174 -3.629 -12.541 493 HG LEU 48 HG LEU 48 1.841 -6.140 -12.250 494 1HD1 LEU 48 1HD1 LEU 48 3.300 -4.236 -12.894 495 2HD1 LEU 48 2HD1 LEU 48 2.597 -3.266 -11.599 496 3HD1 LEU 48 3HD1 LEU 48 3.557 -4.696 -11.217 497 1HD2 LEU 48 2HD2 LEU 48 0.685 -4.155 -10.252 498 2HD2 LEU 48 3HD2 LEU 48 0.053 -5.771 -10.556 499 3HD2 LEU 48 1HD2 LEU 48 1.645 -5.572 -9.840 500 QB LEU 48 QB LEU 48 0.636 -3.964 -13.207 501 QD1 LEU 48 QD1 LEU 48 3.151 -4.066 -11.903 502 QD2 LEU 48 QD2 LEU 48 0.795 -5.166 -10.216 503 QQD LEU 48 QQD LEU 48 1.973 -4.616 -11.059 504 H GLN 49 HN GLN 49 -0.557 -4.663 -15.573 505 HA GLN 49 HA GLN 49 -2.723 -2.840 -15.465 506 1HB GLN 49 2HB GLN 49 -1.791 -4.533 -17.811 507 2HB GLN 49 3HB GLN 49 -2.893 -3.161 -17.941 508 1HG GLN 49 2HG GLN 49 -1.096 -1.745 -16.800 509 2HG GLN 49 3HG GLN 49 -0.002 -3.115 -16.997 510 1HE2 GLN 49 2HE2 GLN 49 -0.766 -0.740 -20.141 511 2HE2 GLN 49 1HE2 GLN 49 -1.249 -0.350 -18.559 512 QB GLN 49 QB GLN 49 -2.342 -3.847 -17.876 513 QG GLN 49 QG GLN 49 -0.549 -2.430 -16.899 514 QE2 GLN 49 QE2 GLN 49 -1.008 -0.545 -19.350 515 H GLN 50 HN GLN 50 -2.744 -6.286 -16.340 516 HA GLN 50 HA GLN 50 -5.485 -6.616 -16.824 517 1HB GLN 50 2HB GLN 50 -3.935 -8.417 -17.163 518 2HB GLN 50 3HB GLN 50 -3.440 -8.420 -15.498 519 1HG GLN 50 2HG GLN 50 -6.316 -8.963 -16.225 520 2HG GLN 50 3HG GLN 50 -5.111 -10.236 -16.323 521 1HE2 GLN 50 2HE2 GLN 50 -4.624 -9.448 -12.556 522 2HE2 GLN 50 1HE2 GLN 50 -3.696 -8.842 -13.842 523 QB GLN 50 QB GLN 50 -3.688 -8.419 -16.331 524 QG GLN 50 QG GLN 50 -5.713 -9.600 -16.274 525 QE2 GLN 50 QE2 GLN 50 -4.160 -9.145 -13.199 526 H LYS 51 HN LYS 51 -3.747 -6.685 -13.781 527 HA LYS 51 HA LYS 51 -6.033 -7.102 -12.090 528 1HB LYS 51 2HB LYS 51 -3.189 -6.499 -11.757 529 2HB LYS 51 3HB LYS 51 -4.129 -5.715 -10.537 530 1HG LYS 51 2HG LYS 51 -5.173 -8.349 -10.699 531 2HG LYS 51 3HG LYS 51 -3.433 -8.534 -10.846 532 1HD LYS 51 2HD LYS 51 -3.632 -8.541 -8.530 533 2HD LYS 51 3HD LYS 51 -3.382 -6.827 -8.807 534 1HE LYS 51 2HE LYS 51 -5.994 -8.271 -8.269 535 2HE LYS 51 3HE LYS 51 -5.264 -6.975 -7.332 536 1HZ LYS 51 3HZ LYS 51 -5.649 -6.057 -9.952 537 2HZ LYS 51 1HZ LYS 51 -7.089 -6.753 -9.439 538 3HZ LYS 51 2HZ LYS 51 -6.368 -5.510 -8.549 539 QB LYS 51 QB LYS 51 -3.659 -6.107 -11.147 540 QG LYS 51 QG LYS 51 -4.303 -8.442 -10.773 541 QD LYS 51 QD LYS 51 -3.507 -7.684 -8.669 542 QE LYS 51 QE LYS 51 -5.629 -7.623 -7.800 543 QZ LYS 51 QZ LYS 51 -6.368 -6.107 -9.313 544 H ALA 52 HN ALA 52 -5.524 -4.371 -13.904 545 HA ALA 52 HA ALA 52 -6.953 -2.718 -11.846 546 1HB ALA 52 1HB ALA 52 -4.811 -1.801 -13.774 547 2HB ALA 52 2HB ALA 52 -5.708 -0.754 -12.671 548 3HB ALA 52 3HB ALA 52 -4.622 -1.984 -12.037 549 QB ALA 52 QB ALA 52 -5.047 -1.513 -12.828 550 H GLY 53 HN GLY 53 -6.276 -3.090 -15.290 551 1HA GLY 53 1HA GLY 53 -8.412 -3.204 -16.685 552 2HA GLY 53 2HA GLY 53 -8.852 -1.696 -15.894 553 QA GLY 53 QA GLY 53 -8.632 -2.450 -16.290 554 H LYS 54 HN LYS 54 -6.761 -0.085 -16.010 555 HA LYS 54 HA LYS 54 -5.299 -0.239 -18.514 556 1HB LYS 54 2HB LYS 54 -6.411 1.773 -19.569 557 2HB LYS 54 3HB LYS 54 -7.407 0.324 -19.528 558 1HG LYS 54 2HG LYS 54 -8.583 1.159 -17.531 559 2HG LYS 54 3HG LYS 54 -7.545 2.579 -17.486 560 1HD LYS 54 2HD LYS 54 -8.375 3.249 -19.727 561 2HD LYS 54 3HD LYS 54 -9.422 1.833 -19.757 562 1HE LYS 54 2HE LYS 54 -10.565 2.648 -17.702 563 2HE LYS 54 3HE LYS 54 -9.530 4.073 -17.700 564 1HZ LYS 54 2HZ LYS 54 -10.690 3.838 -20.247 565 2HZ LYS 54 3HZ LYS 54 -11.921 3.669 -19.093 566 3HZ LYS 54 1HZ LYS 54 -10.936 5.050 -19.083 567 QB LYS 54 QB LYS 54 -6.909 1.049 -19.549 568 QG LYS 54 QG LYS 54 -8.064 1.869 -17.508 569 QD LYS 54 QD LYS 54 -8.898 2.541 -19.742 570 QE LYS 54 QE LYS 54 -10.048 3.361 -17.701 571 QZ LYS 54 QZ LYS 54 -11.182 4.186 -19.474 572 HA PRO 55 HA PRO 55 -3.513 3.082 -15.930 573 1HB PRO 55 2HB PRO 55 -1.715 1.517 -14.413 574 2HB PRO 55 3HB PRO 55 -3.222 2.227 -13.830 575 1HG PRO 55 2HG PRO 55 -2.666 -0.566 -14.164 576 2HG PRO 55 3HG PRO 55 -4.210 0.175 -13.739 577 1HD PRO 55 2HD PRO 55 -3.270 -0.823 -16.397 578 2HD PRO 55 3HD PRO 55 -4.920 -0.683 -15.768 579 QB PRO 55 QB PRO 55 -2.468 1.872 -14.122 580 QG PRO 55 QG PRO 55 -3.438 -0.196 -13.951 581 QD PRO 55 QD PRO 55 -4.095 -0.753 -16.083 582 H VAL 56 HN VAL 56 -1.394 3.899 -16.117 583 HA VAL 56 HA VAL 56 0.373 2.504 -18.090 584 HB VAL 56 HB VAL 56 1.187 4.809 -18.633 585 1HG1 VAL 56 3HG1 VAL 56 -0.680 3.760 -19.907 586 2HG1 VAL 56 1HG1 VAL 56 -1.835 4.470 -18.785 587 3HG1 VAL 56 2HG1 VAL 56 -0.863 5.511 -19.822 588 1HG2 VAL 56 3HG2 VAL 56 0.676 5.862 -16.437 589 2HG2 VAL 56 1HG2 VAL 56 -0.079 6.750 -17.754 590 3HG2 VAL 56 2HG2 VAL 56 -1.045 5.678 -16.749 591 QG1 VAL 56 QG1 VAL 56 -1.126 4.581 -19.505 592 QG2 VAL 56 QG2 VAL 56 -0.149 6.097 -16.980 593 QQG VAL 56 QQG VAL 56 -0.638 5.339 -18.242 594 H GLU 57 HN GLU 57 0.065 3.827 -14.984 595 HA GLU 57 HA GLU 57 2.868 4.187 -14.364 596 1HB GLU 57 2HB GLU 57 1.151 3.589 -12.039 597 2HB GLU 57 3HB GLU 57 2.125 5.006 -12.363 598 1HG GLU 57 2HG GLU 57 -0.175 5.727 -12.225 599 2HG GLU 57 3HG GLU 57 0.272 5.813 -13.922 600 QB GLU 57 QB GLU 57 1.638 4.297 -12.201 601 QG GLU 57 QG GLU 57 0.049 5.770 -13.073 602 H THR 58 HN THR 58 3.368 2.077 -15.417 603 HA THR 58 HA THR 58 2.699 -0.462 -14.572 604 HB THR 58 HB THR 58 4.307 -0.161 -16.400 605 HG1 THR 58 1HG THR 58 4.724 -1.726 -14.209 606 1HG2 THR 58 1HG2 THR 58 5.577 1.819 -15.415 607 2HG2 THR 58 2HG2 THR 58 6.317 0.708 -14.264 608 3HG2 THR 58 3HG2 THR 58 6.634 0.531 -15.982 609 QG2 THR 58 QG2 THR 58 6.176 1.019 -15.220 610 H VAL 59 HN VAL 59 5.021 1.694 -12.987 611 HA VAL 59 HA VAL 59 4.596 0.168 -10.497 612 HB VAL 59 HB VAL 59 7.349 0.809 -11.639 613 1HG1 VAL 59 1HG1 VAL 59 7.223 0.981 -9.130 614 2HG1 VAL 59 2HG1 VAL 59 6.629 -0.679 -9.077 615 3HG1 VAL 59 3HG1 VAL 59 8.244 -0.338 -9.664 616 1HG2 VAL 59 3HG2 VAL 59 5.930 -1.849 -11.189 617 2HG2 VAL 59 1HG2 VAL 59 6.288 -1.121 -12.751 618 3HG2 VAL 59 2HG2 VAL 59 7.594 -1.673 -11.724 619 QG1 VAL 59 QG1 VAL 59 7.365 -0.012 -9.290 620 QG2 VAL 59 QG2 VAL 59 6.604 -1.547 -11.888 621 QQG VAL 59 QQG VAL 59 6.985 -0.780 -10.589 622 HA PRO 60 HA PRO 60 4.925 0.218 -8.619 623 1HB PRO 60 2HB PRO 60 4.427 1.363 -6.125 624 2HB PRO 60 3HB PRO 60 5.985 0.743 -6.663 625 1HG PRO 60 2HG PRO 60 5.185 3.528 -6.233 626 2HG PRO 60 3HG PRO 60 6.799 2.897 -6.572 627 1HD PRO 60 2HD PRO 60 4.951 4.234 -8.399 628 2HD PRO 60 3HD PRO 60 6.632 3.743 -8.697 629 QB PRO 60 QB PRO 60 5.206 1.053 -6.394 630 QG PRO 60 QG PRO 60 5.992 3.213 -6.403 631 QD PRO 60 QD PRO 60 5.792 3.988 -8.548 632 H GLN 61 HN GLN 61 2.925 -0.543 -7.428 633 HA GLN 61 HA GLN 61 0.619 1.301 -7.762 634 1HB GLN 61 2HB GLN 61 0.704 -1.492 -8.979 635 2HB GLN 61 3HB GLN 61 -0.723 -0.465 -8.918 636 1HG GLN 61 2HG GLN 61 0.542 1.275 -10.255 637 2HG GLN 61 3HG GLN 61 1.872 0.138 -10.401 638 1HE2 GLN 61 2HE2 GLN 61 -1.065 -0.122 -13.063 639 2HE2 GLN 61 1HE2 GLN 61 -0.719 1.263 -12.144 640 QB GLN 61 QB GLN 61 -0.009 -0.979 -8.948 641 QG GLN 61 QG GLN 61 1.207 0.707 -10.328 642 QE2 GLN 61 QE2 GLN 61 -0.892 0.571 -12.603 643 H ILE 62 HN ILE 62 -1.250 0.780 -6.637 644 HA ILE 62 HA ILE 62 -0.894 -1.290 -4.504 645 HB ILE 62 HB ILE 62 -1.770 1.591 -4.098 646 1HG1 ILE 62 2HG1 ILE 62 0.637 0.017 -3.099 647 2HG1 ILE 62 3HG1 ILE 62 0.670 1.173 -4.421 648 1HG2 ILE 62 1HG2 ILE 62 -1.545 -0.691 -2.081 649 2HG2 ILE 62 2HG2 ILE 62 -1.917 0.983 -1.684 650 3HG2 ILE 62 3HG2 ILE 62 -3.053 0.034 -2.628 651 1HD1 ILE 62 3HD1 ILE 62 -0.083 2.954 -2.900 652 2HD1 ILE 62 1HD1 ILE 62 -0.078 1.809 -1.556 653 3HD1 ILE 62 2HD1 ILE 62 1.426 2.230 -2.358 654 QG1 ILE 62 QG1 ILE 62 0.653 0.595 -3.760 655 QG2 ILE 62 QG2 ILE 62 -2.172 0.109 -2.131 656 QD1 ILE 62 QD1 ILE 62 0.422 2.331 -2.271 657 H PHE 63 HN PHE 63 -2.629 -2.113 -3.595 658 HA PHE 63 HA PHE 63 -5.324 -1.508 -4.746 659 1HB PHE 63 2HB PHE 63 -3.952 -4.204 -4.545 660 2HB PHE 63 3HB PHE 63 -5.699 -4.057 -4.669 661 HD1 PHE 63 2HD PHE 63 -2.500 -3.337 -6.453 662 HD2 PHE 63 1HD PHE 63 -6.747 -3.481 -6.741 663 HE1 PHE 63 2HE PHE 63 -2.336 -3.176 -8.886 664 HE2 PHE 63 1HE PHE 63 -6.579 -3.282 -9.185 665 HZ PHE 63 HZ PHE 63 -4.372 -3.166 -10.260 666 QB PHE 63 QB PHE 63 -4.826 -4.131 -4.607 667 QR PHE 63 QR PHE 63 -4.541 -3.319 -7.817 668 H VAL 64 HN VAL 64 -6.762 -1.189 -3.074 669 HA VAL 64 HA VAL 64 -5.957 -2.228 -0.380 670 HB VAL 64 HB VAL 64 -8.230 -0.330 -1.130 671 1HG1 VAL 64 2HG1 VAL 64 -7.050 -1.086 1.571 672 2HG1 VAL 64 3HG1 VAL 64 -8.312 0.117 1.303 673 3HG1 VAL 64 1HG1 VAL 64 -8.635 -1.586 0.987 674 1HG2 VAL 64 1HG2 VAL 64 -5.912 0.589 -1.425 675 2HG2 VAL 64 2HG2 VAL 64 -6.793 1.411 -0.150 676 3HG2 VAL 64 3HG2 VAL 64 -5.562 0.210 0.245 677 QG1 VAL 64 QG1 VAL 64 -7.999 -0.852 1.287 678 QG2 VAL 64 QG2 VAL 64 -6.089 0.737 -0.443 679 QQG VAL 64 QQG VAL 64 -7.044 -0.058 0.422 680 H ASP 65 HN ASP 65 -6.826 -4.073 0.277 681 HA ASP 65 HA ASP 65 -7.995 -6.045 0.263 682 1HB ASP 65 2HB ASP 65 -10.023 -3.836 0.207 683 2HB ASP 65 3HB ASP 65 -10.595 -5.503 0.086 684 QB ASP 65 QB ASP 65 -10.309 -4.669 0.146 685 H GLN 66 HN GLN 66 -10.232 -4.542 -1.971 686 HA GLN 66 HA GLN 66 -9.201 -6.345 -4.091 687 1HB GLN 66 2HB GLN 66 -11.556 -6.977 -4.713 688 2HB GLN 66 3HB GLN 66 -11.029 -7.602 -3.157 689 1HG GLN 66 2HG GLN 66 -12.236 -5.782 -1.996 690 2HG GLN 66 3HG GLN 66 -12.730 -5.108 -3.549 691 1HE2 GLN 66 2HE2 GLN 66 -14.684 -8.337 -2.045 692 2HE2 GLN 66 1HE2 GLN 66 -13.353 -7.668 -1.232 693 QB GLN 66 QB GLN 66 -11.292 -7.289 -3.935 694 QG GLN 66 QG GLN 66 -12.483 -5.445 -2.773 695 QE2 GLN 66 QE2 GLN 66 -14.018 -8.002 -1.638 696 H GLN 67 HN GLN 67 -9.578 -3.227 -3.519 697 HA GLN 67 HA GLN 67 -10.721 -2.647 -6.179 698 1HB GLN 67 2HB GLN 67 -11.886 -1.676 -4.222 699 2HB GLN 67 3HB GLN 67 -10.383 -0.903 -3.705 700 1HG GLN 67 2HG GLN 67 -10.346 0.527 -5.548 701 2HG GLN 67 3HG GLN 67 -11.443 -0.495 -6.465 702 1HE2 GLN 67 2HE2 GLN 67 -13.656 1.133 -3.515 703 2HE2 GLN 67 1HE2 GLN 67 -12.452 -0.017 -3.189 704 QB GLN 67 QB GLN 67 -11.135 -1.290 -3.964 705 QG GLN 67 QG GLN 67 -10.895 0.016 -6.007 706 QE2 GLN 67 QE2 GLN 67 -13.054 0.558 -3.352 707 H HIS 68 HN HIS 68 -9.624 -0.974 -7.420 708 HA HIS 68 HA HIS 68 -6.674 -1.147 -7.115 709 1HB HIS 68 2HB HIS 68 -7.698 -1.518 -9.363 710 2HB HIS 68 3HB HIS 68 -8.394 0.079 -9.299 711 HD1 HIS 68 HD1 HIS 68 -7.125 1.288 -11.007 712 HD2 HIS 68 HD2 HIS 68 -4.544 -0.763 -8.541 713 HE1 HIS 68 HE1 HIS 68 -4.788 1.949 -11.696 714 QB HIS 68 QB HIS 68 -8.046 -0.719 -9.331 715 H ILE 69 HN ILE 69 -5.422 0.633 -6.551 716 HA ILE 69 HA ILE 69 -7.003 3.104 -5.926 717 HB ILE 69 HB ILE 69 -4.266 2.475 -4.819 718 1HG1 ILE 69 2HG1 ILE 69 -5.655 0.504 -4.326 719 2HG1 ILE 69 3HG1 ILE 69 -5.307 1.434 -2.892 720 1HG2 ILE 69 2HG2 ILE 69 -6.644 4.102 -3.859 721 2HG2 ILE 69 3HG2 ILE 69 -5.151 3.885 -2.963 722 3HG2 ILE 69 1HG2 ILE 69 -5.132 4.730 -4.502 723 1HD1 ILE 69 3HD1 ILE 69 -7.909 1.617 -4.461 724 2HD1 ILE 69 1HD1 ILE 69 -7.705 0.701 -2.977 725 3HD1 ILE 69 2HD1 ILE 69 -7.557 2.450 -2.952 726 QG1 ILE 69 QG1 ILE 69 -5.481 0.969 -3.609 727 QG2 ILE 69 QG2 ILE 69 -5.642 4.239 -3.775 728 QD1 ILE 69 QD1 ILE 69 -7.723 1.589 -3.463 729 H GLY 70 HN GLY 70 -4.142 1.875 -7.492 730 1HA GLY 70 1HA GLY 70 -3.662 3.268 -9.618 731 2HA GLY 70 2HA GLY 70 -3.590 4.638 -8.510 732 QA GLY 70 QA GLY 70 -3.626 3.953 -9.064 733 H GLY 71 HN GLY 71 -1.470 5.185 -8.523 734 1HA GLY 71 1HA GLY 71 0.560 3.041 -8.420 735 2HA GLY 71 2HA GLY 71 0.889 4.714 -8.792 736 QA GLY 71 QA GLY 71 0.725 3.878 -8.606 737 OH TYR 72 OH TYR 72 4.127 7.715 0.400 738 H TYR 72 HN TYR 72 0.977 6.243 -7.049 739 HA TYR 72 HA TYR 72 1.033 5.043 -4.333 740 1HB TYR 72 2HB TYR 72 3.364 4.885 -5.002 741 2HB TYR 72 3HB TYR 72 3.361 6.549 -5.577 742 HD1 TYR 72 HD2 TYR 72 2.642 4.561 -2.477 743 HD2 TYR 72 HD1 TYR 72 4.056 8.243 -4.087 744 HE1 TYR 72 HE2 TYR 72 3.141 5.367 -0.204 745 HE2 TYR 72 HE1 TYR 72 4.522 9.046 -1.822 746 HH TYR 72 HH TYR 72 3.331 8.129 0.751 747 QB TYR 72 QB TYR 72 3.363 5.717 -5.290 748 QR TYR 72 QR TYR 72 3.590 6.804 -2.148 749 H THR 73 HN THR 73 1.631 8.068 -6.104 750 HA THR 73 HA THR 73 1.030 9.964 -4.163 751 HB THR 73 HB THR 73 -0.039 11.207 -6.277 752 HG1 THR 73 1HG THR 73 -0.533 9.595 -7.627 753 1HG2 THR 73 3HG2 THR 73 2.450 11.369 -5.637 754 2HG2 THR 73 1HG2 THR 73 2.724 9.923 -6.605 755 3HG2 THR 73 2HG2 THR 73 2.171 11.406 -7.376 756 QG2 THR 73 QG2 THR 73 2.448 10.900 -6.539 757 H ASP 74 HN ASP 74 -1.149 8.219 -6.237 758 HA ASP 74 HA ASP 74 -3.654 9.155 -5.348 759 1HB ASP 74 2HB ASP 74 -4.337 6.668 -6.005 760 2HB ASP 74 3HB ASP 74 -3.756 7.774 -7.242 761 QB ASP 74 QB ASP 74 -4.046 7.221 -6.623 762 H PHE 75 HN PHE 75 -2.208 6.036 -4.336 763 HA PHE 75 HA PHE 75 -3.938 5.581 -2.166 764 1HB PHE 75 2HB PHE 75 -2.233 3.935 -3.006 765 2HB PHE 75 3HB PHE 75 -0.983 4.879 -2.209 766 HD1 PHE 75 2HD PHE 75 -4.386 3.511 -1.239 767 HD2 PHE 75 1HD PHE 75 -0.305 4.056 -0.160 768 HE1 PHE 75 2HE PHE 75 -4.770 2.281 0.847 769 HE2 PHE 75 1HE PHE 75 -0.709 2.898 1.954 770 HZ PHE 75 HZ PHE 75 -2.930 1.975 2.444 771 QB PHE 75 QB PHE 75 -1.608 4.407 -2.607 772 QR PHE 75 QR PHE 75 -2.543 3.187 0.350 773 H ALA 76 HN ALA 76 -0.879 7.392 -2.148 774 HA ALA 76 HA ALA 76 -0.763 8.069 0.588 775 1HB ALA 76 2HB ALA 76 0.994 8.690 -1.065 776 2HB ALA 76 3HB ALA 76 -0.096 9.863 -1.781 777 3HB ALA 76 1HB ALA 76 0.484 10.094 -0.140 778 QB ALA 76 QB ALA 76 0.460 9.549 -0.995 779 H ALA 77 HN ALA 77 -2.339 9.865 -2.032 780 HA ALA 77 HA ALA 77 -3.653 11.797 -0.420 781 1HB ALA 77 1HB ALA 77 -4.634 10.493 -3.008 782 2HB ALA 77 2HB ALA 77 -5.260 11.993 -2.327 783 3HB ALA 77 3HB ALA 77 -3.600 11.912 -2.906 784 QB ALA 77 QB ALA 77 -4.498 11.466 -2.747 785 CH2 TRP 78 CH2 TRP 78 -7.573 2.809 2.418 786 H TRP 78 HN TRP 78 -4.934 8.721 -1.657 787 HA TRP 78 HA TRP 78 -7.419 8.626 -0.269 788 1HB TRP 78 2HB TRP 78 -6.626 6.996 -1.978 789 2HB TRP 78 3HB TRP 78 -5.459 6.386 -0.849 790 HD1 TRP 78 HD1 TRP 78 -9.131 6.041 -1.786 791 HE1 TRP 78 HE1 TRP 78 -10.104 4.082 -0.585 792 HE3 TRP 78 HE3 TRP 78 -5.377 5.195 1.400 793 HZ2 TRP 78 HZ2 TRP 78 -9.479 2.410 1.536 794 HZ3 TRP 78 HZ3 TRP 78 -5.639 3.410 3.091 795 HH2 TRP 78 HH2 TRP 78 -7.662 2.020 3.151 796 QB TRP 78 QB TRP 78 -6.042 6.691 -1.413 797 H VAL 79 HN VAL 79 -4.186 7.913 0.937 798 HA VAL 79 HA VAL 79 -5.116 6.852 3.466 799 HB VAL 79 HB VAL 79 -2.446 7.948 2.499 800 1HG1 VAL 79 1HG1 VAL 79 -3.073 6.766 5.226 801 2HG1 VAL 79 2HG1 VAL 79 -1.466 7.164 4.633 802 3HG1 VAL 79 3HG1 VAL 79 -2.641 8.443 4.919 803 1HG2 VAL 79 3HG2 VAL 79 -3.373 5.162 3.285 804 2HG2 VAL 79 1HG2 VAL 79 -3.098 5.727 1.645 805 3HG2 VAL 79 2HG2 VAL 79 -1.747 5.574 2.756 806 QG1 VAL 79 QG1 VAL 79 -2.393 7.457 4.926 807 QG2 VAL 79 QG2 VAL 79 -2.739 5.488 2.562 808 QQG VAL 79 QQG VAL 79 -2.566 6.472 3.744 809 H LYS 80 HN LYS 80 -3.943 9.982 2.356 810 HA LYS 80 HA LYS 80 -4.483 11.166 4.976 811 1HB LYS 80 2HB LYS 80 -2.803 11.820 2.922 812 2HB LYS 80 3HB LYS 80 -4.118 12.920 2.577 813 1HG LYS 80 2HG LYS 80 -3.569 12.951 5.435 814 2HG LYS 80 3HG LYS 80 -2.078 13.210 4.553 815 1HD LYS 80 2HD LYS 80 -3.159 15.364 5.006 816 2HD LYS 80 3HD LYS 80 -3.126 15.055 3.280 817 1HE LYS 80 2HE LYS 80 -5.325 15.958 4.116 818 2HE LYS 80 3HE LYS 80 -5.471 14.432 3.262 819 1HZ LYS 80 1HZ LYS 80 -5.054 13.861 5.985 820 2HZ LYS 80 2HZ LYS 80 -6.267 15.026 5.891 821 3HZ LYS 80 3HZ LYS 80 -6.443 13.571 5.064 822 QB LYS 80 QB LYS 80 -3.460 12.370 2.750 823 QG LYS 80 QG LYS 80 -2.823 13.080 4.994 824 QD LYS 80 QD LYS 80 -3.143 15.209 4.143 825 QE LYS 80 QE LYS 80 -5.398 15.195 3.689 826 QZ LYS 80 QZ LYS 80 -5.921 14.153 5.647 827 H GLU 81 HN GLU 81 -5.729 11.975 1.785 828 HA GLU 81 HA GLU 81 -7.871 13.590 2.701 829 1HB GLU 81 2HB GLU 81 -7.139 12.229 0.102 830 2HB GLU 81 3HB GLU 81 -8.646 13.094 0.203 831 1HG GLU 81 2HG GLU 81 -7.277 15.130 0.976 832 2HG GLU 81 3HG GLU 81 -5.833 14.193 0.605 833 QB GLU 81 QB GLU 81 -7.893 12.661 0.153 834 QG GLU 81 QG GLU 81 -6.555 14.661 0.791 835 H ASN 82 HN ASN 82 -7.895 10.260 3.014 836 HA ASN 82 HA ASN 82 -10.860 10.393 3.041 837 1HB ASN 82 2HB ASN 82 -10.584 9.225 1.145 838 2HB ASN 82 3HB ASN 82 -8.951 8.754 1.525 839 1HD2 ASN 82 2HD2 ASN 82 -9.665 5.735 2.722 840 2HD2 ASN 82 1HD2 ASN 82 -8.568 6.957 2.523 841 QB ASN 82 QB ASN 82 -9.767 8.990 1.335 842 QD2 ASN 82 QD2 ASN 82 -9.116 6.346 2.623 843 H LEU 83 HN LEU 83 -7.954 9.122 4.544 844 HA LEU 83 HA LEU 83 -9.538 7.601 6.485 845 1HB LEU 83 2HB LEU 83 -6.595 8.282 6.696 846 2HB LEU 83 3HB LEU 83 -7.456 7.014 7.549 847 HG LEU 83 HG LEU 83 -6.947 7.149 4.561 848 1HD1 LEU 83 2HD1 LEU 83 -5.017 6.479 5.966 849 2HD1 LEU 83 3HD1 LEU 83 -5.995 5.228 6.721 850 3HD1 LEU 83 1HD1 LEU 83 -5.601 5.124 5.009 851 1HD2 LEU 83 2HD2 LEU 83 -8.445 5.062 6.182 852 2HD2 LEU 83 3HD2 LEU 83 -9.166 6.171 5.020 853 3HD2 LEU 83 1HD2 LEU 83 -8.044 4.930 4.469 854 QB LEU 83 QB LEU 83 -7.026 7.648 7.122 855 QD1 LEU 83 QD1 LEU 83 -5.538 5.610 5.899 856 QD2 LEU 83 QD2 LEU 83 -8.552 5.388 5.223 857 QQD LEU 83 QQD LEU 83 -7.045 5.499 5.561 858 H ASP 84 HN ASP 84 -8.283 10.940 6.408 859 HA ASP 84 HA ASP 84 -9.063 11.013 9.330 860 1HB ASP 84 2HB ASP 84 -7.501 12.904 9.601 861 2HB ASP 84 3HB ASP 84 -6.684 11.445 9.072 862 QB ASP 84 QB ASP 84 -7.092 12.175 9.337 863 H ALA 85 HN ALA 85 -10.978 11.265 7.349 864 HA ALA 85 HA ALA 85 -11.858 14.092 7.753 865 1HB ALA 85 3HB ALA 85 -12.221 12.400 5.254 866 2HB ALA 85 1HB ALA 85 -12.899 14.004 5.498 867 3HB ALA 85 2HB ALA 85 -11.155 13.794 5.405 868 QB ALA 85 QB ALA 85 -12.092 13.399 5.386 Start of MODEL 14 Raw file had 868 H/Q atoms Start of MODEL 14 1 H MET 1 HN MET 1 -9.794 -1.839 4.299 2 HA MET 1 HA MET 1 -8.037 -0.552 4.951 3 1HB MET 1 2HB MET 1 -8.657 -1.794 7.648 4 2HB MET 1 3HB MET 1 -7.584 -0.422 7.406 5 1HG MET 1 2HG MET 1 -10.025 0.060 8.051 6 2HG MET 1 3HG MET 1 -9.308 1.007 6.780 7 1HE MET 1 2HE MET 1 -10.446 1.697 4.919 8 2HE MET 1 3HE MET 1 -9.727 0.305 4.095 9 3HE MET 1 1HE MET 1 -11.423 0.688 3.852 10 QB MET 1 QB MET 1 -8.121 -1.108 7.527 11 QG MET 1 QG MET 1 -9.667 0.534 7.416 12 QE MET 1 QE MET 1 -10.532 0.897 4.289 13 H GLN 2 HN GLN 2 -7.513 -2.903 3.776 14 HA GLN 2 HA GLN 2 -4.983 -3.897 4.991 15 1HB GLN 2 2HB GLN 2 -7.203 -5.315 3.476 16 2HB GLN 2 3HB GLN 2 -5.583 -5.989 3.548 17 1HG GLN 2 2HG GLN 2 -7.225 -6.855 5.309 18 2HG GLN 2 3HG GLN 2 -5.689 -6.272 5.930 19 1HE2 GLN 2 2HE2 GLN 2 -7.238 -3.989 8.076 20 2HE2 GLN 2 1HE2 GLN 2 -5.993 -5.111 7.780 21 QB GLN 2 QB GLN 2 -6.393 -5.652 3.512 22 QG GLN 2 QG GLN 2 -6.457 -6.564 5.620 23 QE2 GLN 2 QE2 GLN 2 -6.616 -4.550 7.928 24 H THR 3 HN THR 3 -3.254 -3.350 3.642 25 HA THR 3 HA THR 3 -4.016 -2.547 0.861 26 HB THR 3 HB THR 3 -1.650 -1.622 2.539 27 HG1 THR 3 1HG THR 3 -3.849 -1.099 3.193 28 1HG2 THR 3 3HG2 THR 3 -2.871 -0.536 -0.043 29 2HG2 THR 3 1HG2 THR 3 -1.532 0.176 0.839 30 3HG2 THR 3 2HG2 THR 3 -1.331 -1.378 0.040 31 QG2 THR 3 QG2 THR 3 -1.911 -0.579 0.279 32 H VAL 4 HN VAL 4 -2.908 -3.182 -0.872 33 HA VAL 4 HA VAL 4 -0.742 -5.231 -0.524 34 HB VAL 4 HB VAL 4 -2.684 -5.170 -2.845 35 1HG1 VAL 4 1HG1 VAL 4 -0.964 -7.345 -1.585 36 2HG1 VAL 4 2HG1 VAL 4 -1.981 -7.561 -3.003 37 3HG1 VAL 4 3HG1 VAL 4 -0.584 -6.484 -3.068 38 1HG2 VAL 4 3HG2 VAL 4 -3.008 -6.741 -0.253 39 2HG2 VAL 4 1HG2 VAL 4 -4.054 -5.434 -0.789 40 3HG2 VAL 4 2HG2 VAL 4 -3.998 -6.941 -1.696 41 QG1 VAL 4 QG1 VAL 4 -1.176 -7.130 -2.552 42 QG2 VAL 4 QG2 VAL 4 -3.687 -6.372 -0.913 43 QQG VAL 4 QQG VAL 4 -2.431 -6.751 -1.732 44 H ILE 5 HN ILE 5 1.054 -4.364 -1.185 45 HA ILE 5 HA ILE 5 1.004 -2.269 -3.317 46 HB ILE 5 HB ILE 5 3.294 -3.001 -1.456 47 1HG1 ILE 5 2HG1 ILE 5 1.260 -2.312 -0.126 48 2HG1 ILE 5 3HG1 ILE 5 2.630 -1.240 0.065 49 1HG2 ILE 5 1HG2 ILE 5 2.685 -0.513 -3.082 50 2HG2 ILE 5 2HG2 ILE 5 4.051 -0.684 -1.986 51 3HG2 ILE 5 3HG2 ILE 5 3.938 -1.698 -3.421 52 1HD1 ILE 5 3HD1 ILE 5 0.286 -0.726 -1.791 53 2HD1 ILE 5 1HD1 ILE 5 0.525 0.038 -0.222 54 3HD1 ILE 5 2HD1 ILE 5 1.648 0.354 -1.534 55 QG1 ILE 5 QG1 ILE 5 1.945 -1.776 -0.031 56 QG2 ILE 5 QG2 ILE 5 3.558 -0.965 -2.830 57 QD1 ILE 5 QD1 ILE 5 0.820 -0.112 -1.182 58 H PHE 6 HN PHE 6 1.687 -2.900 -5.286 59 HA PHE 6 HA PHE 6 3.206 -5.454 -5.565 60 1HB PHE 6 2HB PHE 6 1.474 -3.858 -7.502 61 2HB PHE 6 3HB PHE 6 2.524 -5.158 -8.039 62 HD1 PHE 6 2HD PHE 6 -0.025 -4.682 -5.291 63 HD2 PHE 6 1HD PHE 6 1.449 -7.180 -8.417 64 HE1 PHE 6 2HE PHE 6 -1.823 -6.291 -4.862 65 HE2 PHE 6 1HE PHE 6 -0.330 -8.800 -7.966 66 HZ PHE 6 HZ PHE 6 -1.975 -8.364 -6.184 67 QB PHE 6 QB PHE 6 1.999 -4.508 -7.771 68 QR PHE 6 QR PHE 6 -0.182 -6.738 -6.634 69 H GLY 7 HN GLY 7 5.310 -4.724 -5.277 70 1HA GLY 7 1HA GLY 7 6.309 -2.822 -7.347 71 2HA GLY 7 2HA GLY 7 6.621 -2.411 -5.666 72 QA GLY 7 QA GLY 7 6.465 -2.616 -6.506 73 NH1 ARG 8 NH1 ARG 8 12.839 -8.151 -6.212 74 NH2 ARG 8 NH2 ARG 8 14.918 -8.378 -7.164 75 H ARG 8 HN ARG 8 8.877 -2.558 -6.027 76 HA ARG 8 HA ARG 8 9.921 -5.344 -6.067 77 1HB ARG 8 2HB ARG 8 10.188 -3.651 -8.221 78 2HB ARG 8 3HB ARG 8 11.647 -3.267 -7.321 79 1HG ARG 8 2HG ARG 8 10.899 -6.144 -7.762 80 2HG ARG 8 3HG ARG 8 11.644 -5.247 -9.076 81 1HD ARG 8 2HD ARG 8 13.573 -4.706 -7.600 82 2HD ARG 8 3HD ARG 8 12.815 -5.598 -6.284 83 HE ARG 8 HE ARG 8 13.628 -6.909 -8.852 84 1HH1 ARG 8 2HH1 ARG 8 11.953 -7.658 -6.166 85 2HH1 ARG 8 1HH1 ARG 8 12.994 -8.912 -5.589 86 1HH2 ARG 8 2HH2 ARG 8 15.604 -8.046 -7.815 87 2HH2 ARG 8 1HH2 ARG 8 15.128 -9.165 -6.584 88 QB ARG 8 QB ARG 8 10.918 -3.459 -7.771 89 QG ARG 8 QG ARG 8 11.272 -5.696 -8.419 90 QD ARG 8 QD ARG 8 13.194 -5.152 -6.942 91 QH1 ARG 8 QH1 ARG 8 12.474 -8.285 -5.877 92 QH2 ARG 8 QH2 ARG 8 15.366 -8.605 -7.200 93 H SER 9 HN SER 9 9.439 -2.806 -4.263 94 HA SER 9 HA SER 9 10.535 -1.592 -2.588 95 1HB SER 9 2HB SER 9 10.170 -3.924 -1.691 96 2HB SER 9 3HB SER 9 11.839 -4.308 -2.153 97 HG SER 9 HG SER 9 12.330 -3.383 -0.321 98 QB SER 9 QB SER 9 11.005 -4.116 -1.922 99 H GLY 10 HN GLY 10 12.783 -1.475 -1.377 100 1HA GLY 10 1HA GLY 10 15.151 -1.103 -1.507 101 2HA GLY 10 2HA GLY 10 15.105 -1.589 -3.198 102 QA GLY 10 QA GLY 10 15.128 -1.346 -2.352 103 H CYS 11 HN CYS 11 13.772 0.014 -4.588 104 HA CYS 11 HA CYS 11 15.190 2.488 -4.601 105 1HB CYS 11 2HB CYS 11 13.088 3.097 -6.144 106 2HB CYS 11 3HB CYS 11 14.378 2.052 -6.680 107 QB CYS 11 QB CYS 11 13.733 2.575 -6.412 108 HA PRO 12 HA PRO 12 13.501 4.751 -1.355 109 1HB PRO 12 2HB PRO 12 13.464 7.331 -2.468 110 2HB PRO 12 3HB PRO 12 14.860 6.560 -1.708 111 1HG PRO 12 2HG PRO 12 14.229 6.854 -4.633 112 2HG PRO 12 3HG PRO 12 15.800 6.859 -3.826 113 1HD PRO 12 2HD PRO 12 14.859 4.683 -5.217 114 2HD PRO 12 3HD PRO 12 15.942 4.521 -3.820 115 QB PRO 12 QB PRO 12 14.162 6.945 -2.088 116 QG PRO 12 QG PRO 12 15.014 6.857 -4.230 117 QD PRO 12 QD PRO 12 15.401 4.602 -4.519 118 OH TYR 13 OH TYR 13 4.383 6.833 -6.889 119 H TYR 13 HN TYR 13 12.193 6.221 -4.318 120 HA TYR 13 HA TYR 13 9.682 6.996 -3.342 121 1HB TYR 13 2HB TYR 13 10.349 7.613 -5.601 122 2HB TYR 13 3HB TYR 13 10.421 5.927 -6.097 123 HD1 TYR 13 HD1 TYR 13 8.218 4.576 -6.102 124 HD2 TYR 13 HD2 TYR 13 8.295 8.819 -5.736 125 HE1 TYR 13 HE1 TYR 13 5.828 4.670 -6.634 126 HE2 TYR 13 HE2 TYR 13 5.925 8.906 -6.344 127 HH TYR 13 HH TYR 13 4.232 7.658 -7.371 128 QB TYR 13 QB TYR 13 10.385 6.770 -5.849 129 QR TYR 13 QR TYR 13 7.067 6.743 -6.204 130 H CYS 14 HN CYS 14 10.546 3.884 -4.807 131 HA CYS 14 HA CYS 14 8.044 2.589 -4.584 132 1HB CYS 14 2HB CYS 14 10.695 1.234 -4.063 133 2HB CYS 14 3HB CYS 14 9.268 0.540 -4.782 134 QB CYS 14 QB CYS 14 9.981 0.887 -4.423 135 H VAL 15 HN VAL 15 10.746 2.532 -2.333 136 HA VAL 15 HA VAL 15 9.633 1.021 -0.264 137 HB VAL 15 HB VAL 15 11.612 3.331 -0.169 138 1HG1 VAL 15 1HG1 VAL 15 10.570 2.937 2.082 139 2HG1 VAL 15 2HG1 VAL 15 10.988 1.235 1.946 140 3HG1 VAL 15 3HG1 VAL 15 12.257 2.445 2.043 141 1HG2 VAL 15 1HG2 VAL 15 12.255 1.304 -1.491 142 2HG2 VAL 15 2HG2 VAL 15 13.248 1.483 -0.054 143 3HG2 VAL 15 3HG2 VAL 15 11.942 0.305 -0.080 144 QG1 VAL 15 QG1 VAL 15 11.272 2.206 2.024 145 QG2 VAL 15 QG2 VAL 15 12.482 1.031 -0.542 146 QQG VAL 15 QQG VAL 15 11.877 1.618 0.741 147 NH1 ARG 16 NH1 ARG 16 7.794 7.444 4.251 148 NH2 ARG 16 NH2 ARG 16 5.930 6.488 3.350 149 H ARG 16 HN ARG 16 9.368 4.559 -0.760 150 HA ARG 16 HA ARG 16 8.081 5.343 1.537 151 1HB ARG 16 2HB ARG 16 7.434 6.102 -1.300 152 2HB ARG 16 3HB ARG 16 6.491 6.749 0.026 153 1HG ARG 16 2HG ARG 16 9.508 6.980 -0.288 154 2HG ARG 16 3HG ARG 16 8.350 8.275 -0.532 155 1HD ARG 16 2HD ARG 16 9.174 6.942 2.061 156 2HD ARG 16 3HD ARG 16 9.133 8.657 1.672 157 HE ARG 16 HE ARG 16 6.522 8.321 1.660 158 1HH1 ARG 16 2HH1 ARG 16 8.581 8.048 4.136 159 2HH1 ARG 16 1HH1 ARG 16 7.664 6.970 5.131 160 1HH2 ARG 16 2HH2 ARG 16 5.364 6.331 2.540 161 2HH2 ARG 16 1HH2 ARG 16 5.699 6.036 4.210 162 QB ARG 16 QB ARG 16 6.963 6.425 -0.637 163 QG ARG 16 QG ARG 16 8.929 7.628 -0.410 164 QD ARG 16 QD ARG 16 9.153 7.799 1.866 165 QH1 ARG 16 QH1 ARG 16 8.122 7.509 4.633 166 QH2 ARG 16 QH2 ARG 16 5.532 6.183 3.375 167 H ALA 17 HN ALA 17 6.296 3.735 -1.127 168 HA ALA 17 HA ALA 17 3.744 3.702 0.040 169 1HB ALA 17 3HB ALA 17 5.129 1.401 -1.400 170 2HB ALA 17 1HB ALA 17 3.390 1.533 -1.139 171 3HB ALA 17 2HB ALA 17 4.215 2.696 -2.166 172 QB ALA 17 QB ALA 17 4.245 1.877 -1.568 173 H LYS 18 HN LYS 18 6.338 1.379 0.504 174 HA LYS 18 HA LYS 18 5.073 -0.228 2.480 175 1HB LYS 18 2HB LYS 18 6.945 -1.218 1.519 176 2HB LYS 18 3HB LYS 18 7.883 0.261 1.552 177 1HG LYS 18 2HG LYS 18 7.145 -0.801 4.226 178 2HG LYS 18 3HG LYS 18 8.238 -1.807 3.291 179 1HD LYS 18 2HD LYS 18 9.842 -0.054 3.050 180 2HD LYS 18 3HD LYS 18 8.714 1.176 3.584 181 1HE LYS 18 2HE LYS 18 9.716 -1.102 5.335 182 2HE LYS 18 3HE LYS 18 10.374 0.535 5.356 183 1HZ LYS 18 1HZ LYS 18 7.608 0.756 5.552 184 2HZ LYS 18 2HZ LYS 18 8.065 -0.462 6.659 185 3HZ LYS 18 3HZ LYS 18 8.757 1.090 6.769 186 QB LYS 18 QB LYS 18 7.414 -0.479 1.535 187 QG LYS 18 QG LYS 18 7.691 -1.304 3.759 188 QD LYS 18 QD LYS 18 9.278 0.561 3.317 189 QE LYS 18 QE LYS 18 10.045 -0.283 5.346 190 QZ LYS 18 QZ LYS 18 8.143 0.462 6.327 191 H ASP 19 HN ASP 19 7.236 2.583 2.837 192 HA ASP 19 HA ASP 19 7.259 2.552 5.717 193 1HB ASP 19 2HB ASP 19 8.839 3.857 4.284 194 2HB ASP 19 3HB ASP 19 7.539 4.951 3.898 195 QB ASP 19 QB ASP 19 8.189 4.404 4.091 196 H LEU 20 HN LEU 20 5.102 4.218 3.425 197 HA LEU 20 HA LEU 20 3.530 5.560 5.435 198 1HB LEU 20 2HB LEU 20 3.210 6.363 3.224 199 2HB LEU 20 3HB LEU 20 2.970 4.757 2.567 200 HG LEU 20 HG LEU 20 0.770 4.593 3.676 201 1HD1 LEU 20 2HD1 LEU 20 1.373 7.381 4.752 202 2HD1 LEU 20 3HD1 LEU 20 -0.168 6.542 4.903 203 3HD1 LEU 20 1HD1 LEU 20 1.253 5.919 5.722 204 1HD2 LEU 20 3HD2 LEU 20 1.133 7.241 2.225 205 2HD2 LEU 20 1HD2 LEU 20 0.832 5.681 1.466 206 3HD2 LEU 20 2HD2 LEU 20 -0.407 6.423 2.476 207 QB LEU 20 QB LEU 20 3.090 5.560 2.896 208 QD1 LEU 20 QD1 LEU 20 0.819 6.614 5.126 209 QD2 LEU 20 QD2 LEU 20 0.519 6.449 2.056 210 QQD LEU 20 QQD LEU 20 0.669 6.531 3.591 211 H ALA 21 HN ALA 21 2.794 2.612 3.559 212 HA ALA 21 HA ALA 21 0.492 1.867 5.019 213 1HB ALA 21 1HB ALA 21 2.588 0.018 3.803 214 2HB ALA 21 2HB ALA 21 0.963 -0.448 4.281 215 3HB ALA 21 3HB ALA 21 1.190 0.681 2.961 216 QB ALA 21 QB ALA 21 1.581 0.084 3.682 217 H GLU 22 HN GLU 22 3.862 0.888 5.543 218 HA GLU 22 HA GLU 22 3.642 -0.677 7.831 219 1HB GLU 22 2HB GLU 22 5.782 -0.277 6.754 220 2HB GLU 22 3HB GLU 22 5.703 1.432 7.128 221 1HG GLU 22 2HG GLU 22 5.788 0.860 9.583 222 2HG GLU 22 3HG GLU 22 5.988 -0.834 9.129 223 QB GLU 22 QB GLU 22 5.742 0.577 6.941 224 QG GLU 22 QG GLU 22 5.888 0.013 9.356 225 H LYS 23 HN LYS 23 4.141 2.801 7.732 226 HA LYS 23 HA LYS 23 4.018 3.379 10.457 227 1HB LYS 23 2HB LYS 23 4.223 4.775 8.081 228 2HB LYS 23 3HB LYS 23 2.639 5.240 8.609 229 1HG LYS 23 2HG LYS 23 3.790 6.845 9.766 230 2HG LYS 23 3HG LYS 23 4.019 5.569 10.944 231 1HD LYS 23 2HD LYS 23 5.985 6.291 8.724 232 2HD LYS 23 3HD LYS 23 6.155 6.728 10.414 233 1HE LYS 23 2HE LYS 23 7.485 4.806 10.265 234 2HE LYS 23 3HE LYS 23 5.968 4.152 10.857 235 1HZ LYS 23 3HZ LYS 23 6.109 4.292 7.976 236 2HZ LYS 23 1HZ LYS 23 7.320 3.319 8.640 237 3HZ LYS 23 2HZ LYS 23 5.694 2.984 8.980 238 QB LYS 23 QB LYS 23 3.431 5.008 8.345 239 QG LYS 23 QG LYS 23 3.905 6.207 10.355 240 QD LYS 23 QD LYS 23 6.070 6.510 9.569 241 QE LYS 23 QE LYS 23 6.726 4.479 10.561 242 QZ LYS 23 QZ LYS 23 6.374 3.532 8.532 243 H LEU 24 HN LEU 24 1.332 3.554 8.101 244 HA LEU 24 HA LEU 24 -0.704 3.965 9.999 245 1HB LEU 24 2HB LEU 24 -0.919 2.264 7.500 246 2HB LEU 24 3HB LEU 24 -2.274 2.930 8.392 247 HG LEU 24 HG LEU 24 -0.138 4.469 6.891 248 1HD1 LEU 24 3HD1 LEU 24 -1.920 3.374 5.567 249 2HD1 LEU 24 1HD1 LEU 24 -3.141 4.166 6.560 250 3HD1 LEU 24 2HD1 LEU 24 -2.083 5.122 5.533 251 1HD2 LEU 24 3HD2 LEU 24 -2.467 5.503 8.565 252 2HD2 LEU 24 1HD2 LEU 24 -0.758 5.708 8.949 253 3HD2 LEU 24 2HD2 LEU 24 -1.441 6.491 7.532 254 QB LEU 24 QB LEU 24 -1.596 2.597 7.946 255 QD1 LEU 24 QD1 LEU 24 -2.382 4.221 5.886 256 QD2 LEU 24 QD2 LEU 24 -1.555 5.900 8.348 257 QQD LEU 24 QQD LEU 24 -1.968 5.060 7.117 258 H SER 25 HN SER 25 0.393 0.764 8.795 259 HA SER 25 HA SER 25 -1.429 -0.601 10.527 260 1HB SER 25 2HB SER 25 0.095 -2.640 10.015 261 2HB SER 25 3HB SER 25 -0.626 -1.820 8.622 262 HG SER 25 HG SER 25 1.645 -0.582 9.431 263 QB SER 25 QB SER 25 -0.265 -2.230 9.319 264 H ASN 26 HN ASN 26 0.881 1.241 11.621 265 HA ASN 26 HA ASN 26 1.375 -0.448 14.041 266 1HB ASN 26 2HB ASN 26 3.240 1.382 12.517 267 2HB ASN 26 3HB ASN 26 3.496 1.076 14.232 268 1HD2 ASN 26 1HD2 ASN 26 4.263 -1.875 11.530 269 2HD2 ASN 26 2HD2 ASN 26 3.486 -0.448 11.032 270 QB ASN 26 QB ASN 26 3.368 1.229 13.375 271 QD2 ASN 26 QD2 ASN 26 3.875 -1.162 11.281 272 H GLU 27 HN GLU 27 0.968 2.742 12.674 273 HA GLU 27 HA GLU 27 0.528 4.181 15.146 274 1HB GLU 27 2HB GLU 27 -0.275 4.830 12.274 275 2HB GLU 27 3HB GLU 27 -0.335 5.971 13.602 276 1HG GLU 27 2HG GLU 27 2.068 5.977 13.823 277 2HG GLU 27 3HG GLU 27 2.227 4.588 12.750 278 QB GLU 27 QB GLU 27 -0.305 5.400 12.938 279 QG GLU 27 QG GLU 27 2.148 5.283 13.287 280 NH1 ARG 28 NH1 ARG 28 -7.066 3.279 12.252 281 NH2 ARG 28 NH2 ARG 28 -8.254 3.972 10.421 282 H ARG 28 HN ARG 28 -1.410 2.487 12.830 283 HA ARG 28 HA ARG 28 -3.922 3.158 14.303 284 1HB ARG 28 2HB ARG 28 -3.413 2.288 11.446 285 2HB ARG 28 3HB ARG 28 -5.017 2.348 12.131 286 1HG ARG 28 2HG ARG 28 -4.546 4.800 12.710 287 2HG ARG 28 3HG ARG 28 -3.085 4.662 11.741 288 1HD ARG 28 2HD ARG 28 -4.440 5.295 10.009 289 2HD ARG 28 3HD ARG 28 -4.949 3.610 10.011 290 HE ARG 28 HE ARG 28 -6.535 5.922 10.925 291 1HH1 ARG 28 2HH1 ARG 28 -6.286 3.411 12.859 292 2HH1 ARG 28 1HH1 ARG 28 -7.741 2.548 12.449 293 1HH2 ARG 28 2HH2 ARG 28 -8.376 4.640 9.672 294 2HH2 ARG 28 1HH2 ARG 28 -8.936 3.237 10.575 295 QB ARG 28 QB ARG 28 -4.215 2.318 11.788 296 QG ARG 28 QG ARG 28 -3.816 4.731 12.226 297 QD ARG 28 QD ARG 28 -4.695 4.452 10.010 298 QH1 ARG 28 QH1 ARG 28 -7.013 2.980 12.654 299 QH2 ARG 28 QH2 ARG 28 -8.656 3.938 10.123 300 H ASP 29 HN ASP 29 -5.596 1.239 13.578 301 HA ASP 29 HA ASP 29 -4.376 -1.341 14.437 302 1HB ASP 29 2HB ASP 29 -6.569 -1.777 15.618 303 2HB ASP 29 3HB ASP 29 -5.610 -0.486 16.313 304 QB ASP 29 QB ASP 29 -6.089 -1.131 15.966 305 H ASP 30 HN ASP 30 -7.269 0.026 12.790 306 HA ASP 30 HA ASP 30 -7.934 -2.528 11.611 307 1HB ASP 30 2HB ASP 30 -9.537 -1.254 10.224 308 2HB ASP 30 3HB ASP 30 -9.637 -0.749 11.904 309 QB ASP 30 QB ASP 30 -9.587 -1.001 11.064 310 H PHE 31 HN PHE 31 -5.738 -0.020 10.742 311 HA PHE 31 HA PHE 31 -5.578 -0.888 7.967 312 1HB PHE 31 2HB PHE 31 -5.093 1.483 8.587 313 2HB PHE 31 3HB PHE 31 -3.641 0.927 9.400 314 HD1 PHE 31 2HD PHE 31 -5.294 1.231 6.110 315 HD2 PHE 31 1HD PHE 31 -1.766 0.007 8.131 316 HE1 PHE 31 2HE PHE 31 -4.097 1.142 3.965 317 HE2 PHE 31 1HE PHE 31 -0.596 -0.174 5.991 318 HZ PHE 31 HZ PHE 31 -1.763 0.405 3.899 319 QB PHE 31 QB PHE 31 -4.367 1.205 8.994 320 QR PHE 31 QR PHE 31 -2.938 0.552 6.049 321 H GLN 32 HN GLN 32 -4.476 -2.426 7.234 322 HA GLN 32 HA GLN 32 -1.900 -3.292 8.455 323 1HB GLN 32 2HB GLN 32 -3.932 -5.291 7.442 324 2HB GLN 32 3HB GLN 32 -2.528 -5.593 8.449 325 1HG GLN 32 2HG GLN 32 -3.567 -4.517 10.362 326 2HG GLN 32 3HG GLN 32 -4.887 -3.907 9.375 327 1HE2 GLN 32 2HE2 GLN 32 -5.787 -7.156 11.155 328 2HE2 GLN 32 1HE2 GLN 32 -4.920 -5.815 11.728 329 QB GLN 32 QB GLN 32 -3.230 -5.442 7.946 330 QG GLN 32 QG GLN 32 -4.227 -4.212 9.868 331 QE2 GLN 32 QE2 GLN 32 -5.353 -6.485 11.441 332 OH TYR 33 OH TYR 33 5.275 -2.591 5.759 333 H TYR 33 HN TYR 33 -0.603 -4.584 6.720 334 HA TYR 33 HA TYR 33 -1.667 -4.456 3.990 335 1HB TYR 33 2HB TYR 33 -0.188 -2.897 3.044 336 2HB TYR 33 3HB TYR 33 -0.721 -2.105 4.525 337 HD1 TYR 33 HD1 TYR 33 0.838 -2.578 6.652 338 HD2 TYR 33 HD2 TYR 33 2.080 -3.078 2.608 339 HE1 TYR 33 HE1 TYR 33 3.171 -2.473 7.352 340 HE2 TYR 33 HE2 TYR 33 4.420 -2.944 3.308 341 HH TYR 33 HH TYR 33 5.559 -3.470 6.025 342 QB TYR 33 QB TYR 33 -0.454 -2.501 3.784 343 QR TYR 33 QR TYR 33 2.627 -2.768 4.980 344 H GLN 34 HN GLN 34 -0.212 -5.361 2.436 345 HA GLN 34 HA GLN 34 1.969 -7.039 3.579 346 1HB GLN 34 2HB GLN 34 1.282 -8.858 2.156 347 2HB GLN 34 3HB GLN 34 -0.180 -8.314 2.957 348 1HG GLN 34 2HG GLN 34 -0.767 -6.963 0.971 349 2HG GLN 34 3HG GLN 34 0.710 -7.466 0.170 350 1HE2 GLN 34 2HE2 GLN 34 -0.710 -10.401 -1.069 351 2HE2 GLN 34 1HE2 GLN 34 0.518 -9.238 -1.172 352 QB GLN 34 QB GLN 34 0.551 -8.586 2.556 353 QG GLN 34 QG GLN 34 -0.028 -7.214 0.570 354 QE2 GLN 34 QE2 GLN 34 -0.096 -9.819 -1.121 355 OH TYR 35 OH TYR 35 7.584 -2.715 -3.656 356 H TYR 35 HN TYR 35 3.668 -7.514 1.956 357 HA TYR 35 HA TYR 35 3.679 -5.425 -0.193 358 1HB TYR 35 2HB TYR 35 5.474 -5.129 1.636 359 2HB TYR 35 3HB TYR 35 6.209 -6.603 0.998 360 HD1 TYR 35 HD1 TYR 35 6.762 -6.655 -1.545 361 HD2 TYR 35 HD2 TYR 35 5.822 -3.051 0.511 362 HE1 TYR 35 HE1 TYR 35 7.568 -5.357 -3.462 363 HE2 TYR 35 HE2 TYR 35 6.656 -1.749 -1.394 364 HH TYR 35 HH TYR 35 7.121 -1.864 -3.636 365 QB TYR 35 QB TYR 35 5.841 -5.866 1.317 366 QR TYR 35 QR TYR 35 6.702 -4.203 -1.472 367 H VAL 36 HN VAL 36 3.728 -6.161 -2.143 368 HA VAL 36 HA VAL 36 4.493 -8.991 -2.637 369 HB VAL 36 HB VAL 36 2.227 -7.238 -3.482 370 1HG1 VAL 36 3HG1 VAL 36 3.500 -9.161 -5.485 371 2HG1 VAL 36 1HG1 VAL 36 1.964 -8.326 -5.687 372 3HG1 VAL 36 2HG1 VAL 36 3.465 -7.415 -5.644 373 1HG2 VAL 36 1HG2 VAL 36 1.993 -9.275 -2.100 374 2HG2 VAL 36 2HG2 VAL 36 1.094 -9.426 -3.606 375 3HG2 VAL 36 3HG2 VAL 36 2.639 -10.252 -3.412 376 QG1 VAL 36 QG1 VAL 36 2.977 -8.301 -5.605 377 QG2 VAL 36 QG2 VAL 36 1.909 -9.651 -3.040 378 QQG VAL 36 QQG VAL 36 2.443 -8.976 -4.322 379 H ASP 37 HN ASP 37 6.124 -9.297 -4.031 380 HA ASP 37 HA ASP 37 7.381 -6.878 -5.259 381 1HB ASP 37 2HB ASP 37 8.758 -8.106 -3.561 382 2HB ASP 37 3HB ASP 37 8.636 -9.540 -4.549 383 QB ASP 37 QB ASP 37 8.697 -8.823 -4.055 384 H ILE 38 HN ILE 38 6.827 -6.777 -7.370 385 HA ILE 38 HA ILE 38 5.640 -8.733 -8.918 386 HB ILE 38 HB ILE 38 6.654 -7.534 -10.934 387 1HG1 ILE 38 2HG1 ILE 38 7.535 -5.456 -8.947 388 2HG1 ILE 38 3HG1 ILE 38 8.627 -6.766 -9.346 389 1HG2 ILE 38 2HG2 ILE 38 5.173 -5.973 -8.791 390 2HG2 ILE 38 3HG2 ILE 38 5.275 -5.500 -10.479 391 3HG2 ILE 38 1HG2 ILE 38 4.443 -6.983 -10.032 392 1HD1 ILE 38 2HD1 ILE 38 8.379 -6.184 -11.773 393 2HD1 ILE 38 3HD1 ILE 38 7.316 -4.855 -11.326 394 3HD1 ILE 38 1HD1 ILE 38 9.011 -4.826 -10.842 395 QG1 ILE 38 QG1 ILE 38 8.081 -6.111 -9.146 396 QG2 ILE 38 QG2 ILE 38 4.964 -6.152 -9.767 397 QD1 ILE 38 QD1 ILE 38 8.235 -5.288 -11.314 398 NH1 ARG 39 NH1 ARG 39 9.850 -11.140 -12.392 399 NH2 ARG 39 NH2 ARG 39 8.876 -9.229 -13.114 400 H ARG 39 HN ARG 39 9.034 -8.673 -8.099 401 HA ARG 39 HA ARG 39 9.563 -10.640 -10.251 402 1HB ARG 39 2HB ARG 39 11.620 -9.809 -8.218 403 2HB ARG 39 3HB ARG 39 11.872 -10.357 -9.864 404 1HG ARG 39 2HG ARG 39 10.843 -7.674 -8.936 405 2HG ARG 39 3HG ARG 39 12.292 -7.992 -9.863 406 1HD ARG 39 2HD ARG 39 9.412 -8.125 -10.798 407 2HD ARG 39 3HD ARG 39 10.708 -7.119 -11.424 408 HE ARG 39 HE ARG 39 11.739 -9.272 -12.314 409 1HH1 ARG 39 1HH1 ARG 39 10.614 -11.597 -11.939 410 2HH1 ARG 39 2HH1 ARG 39 9.082 -11.679 -12.744 411 1HH2 ARG 39 2HH2 ARG 39 8.902 -8.239 -13.182 412 2HH2 ARG 39 1HH2 ARG 39 8.093 -9.739 -13.486 413 QB ARG 39 QB ARG 39 11.746 -10.083 -9.041 414 QG ARG 39 QG ARG 39 11.567 -7.833 -9.399 415 QD ARG 39 QD ARG 39 10.060 -7.622 -11.111 416 QH1 ARG 39 QH1 ARG 39 9.848 -11.638 -12.341 417 QH2 ARG 39 QH2 ARG 39 8.497 -8.989 -13.334 418 H ALA 40 HN ALA 40 9.770 -10.408 -6.710 419 HA ALA 40 HA ALA 40 10.513 -13.099 -6.174 420 1HB ALA 40 3HB ALA 40 10.207 -11.317 -4.403 421 2HB ALA 40 1HB ALA 40 8.461 -11.493 -4.604 422 3HB ALA 40 2HB ALA 40 9.417 -12.840 -4.003 423 QB ALA 40 QB ALA 40 9.362 -11.883 -4.336 424 H GLU 41 HN GLU 41 7.405 -11.635 -6.818 425 HA GLU 41 HA GLU 41 5.944 -14.182 -6.680 426 1HB GLU 41 2HB GLU 41 5.097 -11.374 -7.506 427 2HB GLU 41 3HB GLU 41 4.000 -12.722 -7.256 428 1HG GLU 41 2HG GLU 41 5.854 -11.638 -5.100 429 2HG GLU 41 3HG GLU 41 4.169 -11.169 -5.267 430 QB GLU 41 QB GLU 41 4.549 -12.048 -7.381 431 QG GLU 41 QG GLU 41 5.011 -11.404 -5.184 432 H GLY 42 HN GLY 42 8.071 -13.699 -8.733 433 1HA GLY 42 1HA GLY 42 8.338 -13.642 -11.113 434 2HA GLY 42 2HA GLY 42 7.509 -15.167 -10.863 435 QA GLY 42 QA GLY 42 7.924 -14.405 -10.988 436 H ILE 43 HN ILE 43 6.578 -11.714 -11.067 437 HA ILE 43 HA ILE 43 4.246 -12.550 -12.738 438 HB ILE 43 HB ILE 43 4.766 -9.834 -11.455 439 1HG1 ILE 43 2HG1 ILE 43 3.136 -12.174 -10.404 440 2HG1 ILE 43 3HG1 ILE 43 4.620 -11.547 -9.706 441 1HG2 ILE 43 3HG2 ILE 43 2.226 -11.117 -12.559 442 2HG2 ILE 43 1HG2 ILE 43 2.322 -9.526 -11.814 443 3HG2 ILE 43 2HG2 ILE 43 3.143 -9.819 -13.321 444 1HD1 ILE 43 1HD1 ILE 43 3.513 -9.356 -9.307 445 2HD1 ILE 43 2HD1 ILE 43 2.013 -9.999 -9.966 446 3HD1 ILE 43 3HD1 ILE 43 2.674 -10.663 -8.485 447 QG1 ILE 43 QG1 ILE 43 3.878 -11.861 -10.055 448 QG2 ILE 43 QG2 ILE 43 2.563 -10.154 -12.565 449 QD1 ILE 43 QD1 ILE 43 2.734 -10.006 -9.253 450 H THR 44 HN THR 44 3.752 -11.125 -14.579 451 HA THR 44 HA THR 44 6.225 -10.047 -15.806 452 HB THR 44 HB THR 44 5.365 -12.035 -16.959 453 HG1 THR 44 1HG THR 44 4.859 -10.295 -18.874 454 1HG2 THR 44 2HG2 THR 44 2.998 -11.502 -16.418 455 2HG2 THR 44 3HG2 THR 44 3.111 -10.092 -17.464 456 3HG2 THR 44 1HG2 THR 44 3.270 -11.708 -18.147 457 QG2 THR 44 QG2 THR 44 3.126 -11.101 -17.343 458 H LYS 45 HN LYS 45 5.126 -8.554 -17.812 459 HA LYS 45 HA LYS 45 4.033 -6.305 -16.219 460 1HB LYS 45 2HB LYS 45 5.684 -5.718 -17.887 461 2HB LYS 45 3HB LYS 45 4.816 -6.587 -19.150 462 1HG LYS 45 2HG LYS 45 3.147 -4.960 -19.315 463 2HG LYS 45 3HG LYS 45 3.381 -4.395 -17.668 464 1HD LYS 45 2HD LYS 45 4.178 -2.710 -19.212 465 2HD LYS 45 3HD LYS 45 5.553 -3.375 -18.356 466 1HE LYS 45 2HE LYS 45 6.257 -4.652 -20.261 467 2HE LYS 45 3HE LYS 45 4.720 -4.415 -21.085 468 1HZ LYS 45 3HZ LYS 45 5.675 -1.873 -20.566 469 2HZ LYS 45 1HZ LYS 45 7.038 -2.747 -21.127 470 3HZ LYS 45 2HZ LYS 45 5.628 -2.642 -22.074 471 QB LYS 45 QB LYS 45 5.250 -6.152 -18.519 472 QG LYS 45 QG LYS 45 3.264 -4.678 -18.491 473 QD LYS 45 QD LYS 45 4.866 -3.042 -18.784 474 QE LYS 45 QE LYS 45 5.488 -4.534 -20.673 475 QZ LYS 45 QZ LYS 45 6.114 -2.421 -21.256 476 H GLU 46 HN GLU 46 2.989 -8.344 -18.884 477 HA GLU 46 HA GLU 46 0.496 -7.259 -19.537 478 1HB GLU 46 2HB GLU 46 1.186 -10.209 -19.206 479 2HB GLU 46 3HB GLU 46 -0.235 -9.608 -20.046 480 1HG GLU 46 2HG GLU 46 1.568 -10.153 -21.651 481 2HG GLU 46 3HG GLU 46 1.218 -8.430 -21.684 482 QB GLU 46 QB GLU 46 0.475 -9.909 -19.626 483 QG GLU 46 QG GLU 46 1.393 -9.291 -21.667 484 H ASP 47 HN ASP 47 1.156 -9.597 -16.998 485 HA ASP 47 HA ASP 47 -1.342 -9.982 -15.840 486 1HB ASP 47 2HB ASP 47 0.881 -11.011 -15.167 487 2HB ASP 47 3HB ASP 47 1.209 -9.547 -14.252 488 QB ASP 47 QB ASP 47 1.045 -10.279 -14.710 489 H LEU 48 HN LEU 48 0.977 -7.583 -14.691 490 HA LEU 48 HA LEU 48 -0.471 -6.223 -12.803 491 1HB LEU 48 2HB LEU 48 1.561 -5.373 -14.831 492 2HB LEU 48 3HB LEU 48 0.794 -4.111 -13.880 493 HG LEU 48 HG LEU 48 2.039 -6.584 -12.629 494 1HD1 LEU 48 3HD1 LEU 48 3.235 -3.815 -13.028 495 2HD1 LEU 48 1HD1 LEU 48 3.968 -5.124 -12.108 496 3HD1 LEU 48 2HD1 LEU 48 3.762 -5.285 -13.845 497 1HD2 LEU 48 1HD2 LEU 48 1.251 -3.854 -11.522 498 2HD2 LEU 48 2HD2 LEU 48 0.386 -5.360 -11.231 499 3HD2 LEU 48 3HD2 LEU 48 2.011 -5.140 -10.595 500 QB LEU 48 QB LEU 48 1.177 -4.742 -14.356 501 QD1 LEU 48 QD1 LEU 48 3.655 -4.741 -12.994 502 QD2 LEU 48 QD2 LEU 48 1.216 -4.785 -11.116 503 QQD LEU 48 QQD LEU 48 2.436 -4.763 -12.055 504 H GLN 49 HN GLN 49 -0.619 -5.402 -16.256 505 HA GLN 49 HA GLN 49 -2.380 -3.242 -16.162 506 1HB GLN 49 2HB GLN 49 -2.260 -5.520 -18.146 507 2HB GLN 49 3HB GLN 49 -3.369 -4.166 -18.354 508 1HG GLN 49 2HG GLN 49 -1.350 -2.624 -18.137 509 2HG GLN 49 3HG GLN 49 -0.342 -4.072 -18.248 510 1HE2 GLN 49 2HE2 GLN 49 -0.651 -4.225 -21.729 511 2HE2 GLN 49 1HE2 GLN 49 0.163 -4.718 -20.325 512 QB GLN 49 QB GLN 49 -2.814 -4.843 -18.250 513 QG GLN 49 QG GLN 49 -0.846 -3.348 -18.192 514 QE2 GLN 49 QE2 GLN 49 -0.244 -4.471 -21.027 515 H GLN 50 HN GLN 50 -3.270 -6.662 -16.064 516 HA GLN 50 HA GLN 50 -6.096 -6.346 -16.103 517 1HB GLN 50 2HB GLN 50 -4.785 -8.496 -16.328 518 2HB GLN 50 3HB GLN 50 -4.493 -8.452 -14.598 519 1HG GLN 50 2HG GLN 50 -7.343 -8.125 -15.336 520 2HG GLN 50 3HG GLN 50 -6.648 -9.668 -15.813 521 1HE2 GLN 50 2HE2 GLN 50 -6.717 -10.921 -12.528 522 2HE2 GLN 50 1HE2 GLN 50 -6.581 -11.244 -14.190 523 QB GLN 50 QB GLN 50 -4.639 -8.474 -15.463 524 QG GLN 50 QG GLN 50 -6.996 -8.896 -15.575 525 QE2 GLN 50 QE2 GLN 50 -6.649 -11.082 -13.359 526 H LYS 51 HN LYS 51 -3.911 -6.634 -13.370 527 HA LYS 51 HA LYS 51 -5.649 -6.520 -11.222 528 1HB LYS 51 2HB LYS 51 -2.850 -5.545 -11.675 529 2HB LYS 51 3HB LYS 51 -3.630 -5.112 -10.179 530 1HG LYS 51 2HG LYS 51 -3.952 -7.960 -10.912 531 2HG LYS 51 3HG LYS 51 -2.288 -7.475 -10.644 532 1HD LYS 51 2HD LYS 51 -3.268 -8.275 -8.546 533 2HD LYS 51 3HD LYS 51 -2.895 -6.566 -8.411 534 1HE LYS 51 2HE LYS 51 -5.654 -7.461 -9.268 535 2HE LYS 51 3HE LYS 51 -5.216 -7.467 -7.571 536 1HZ LYS 51 1HZ LYS 51 -4.420 -4.987 -8.591 537 2HZ LYS 51 2HZ LYS 51 -5.991 -5.272 -9.186 538 3HZ LYS 51 3HZ LYS 51 -5.671 -5.313 -7.507 539 QB LYS 51 QB LYS 51 -3.240 -5.329 -10.927 540 QG LYS 51 QG LYS 51 -3.120 -7.718 -10.778 541 QD LYS 51 QD LYS 51 -3.081 -7.420 -8.479 542 QE LYS 51 QE LYS 51 -5.435 -7.464 -8.420 543 QZ LYS 51 QZ LYS 51 -5.361 -5.190 -8.428 544 H ALA 52 HN ALA 52 -4.533 -3.809 -13.137 545 HA ALA 52 HA ALA 52 -6.160 -1.934 -11.467 546 1HB ALA 52 2HB ALA 52 -4.128 -1.411 -13.664 547 2HB ALA 52 3HB ALA 52 -4.931 -0.168 -12.714 548 3HB ALA 52 1HB ALA 52 -3.828 -1.292 -11.935 549 QB ALA 52 QB ALA 52 -4.296 -0.957 -12.771 550 H GLY 53 HN GLY 53 -5.959 -3.270 -14.644 551 1HA GLY 53 1HA GLY 53 -7.535 -3.411 -16.365 552 2HA GLY 53 2HA GLY 53 -8.692 -2.624 -15.294 553 QA GLY 53 QA GLY 53 -8.114 -3.017 -15.830 554 H LYS 54 HN LYS 54 -5.534 -1.551 -16.652 555 HA LYS 54 HA LYS 54 -7.022 0.623 -18.024 556 1HB LYS 54 2HB LYS 54 -4.627 1.219 -16.261 557 2HB LYS 54 3HB LYS 54 -5.714 2.387 -17.013 558 1HG LYS 54 2HG LYS 54 -7.599 1.400 -15.693 559 2HG LYS 54 3HG LYS 54 -6.442 0.357 -14.875 560 1HD LYS 54 2HD LYS 54 -5.206 2.520 -14.204 561 2HD LYS 54 3HD LYS 54 -6.673 3.367 -14.689 562 1HE LYS 54 2HE LYS 54 -6.352 1.260 -12.529 563 2HE LYS 54 3HE LYS 54 -6.954 2.903 -12.356 564 1HZ LYS 54 3HZ LYS 54 -8.584 1.674 -14.222 565 2HZ LYS 54 1HZ LYS 54 -8.358 0.523 -12.998 566 3HZ LYS 54 2HZ LYS 54 -8.988 2.064 -12.618 567 QB LYS 54 QB LYS 54 -5.170 1.803 -16.637 568 QG LYS 54 QG LYS 54 -7.021 0.878 -15.284 569 QD LYS 54 QD LYS 54 -5.939 2.944 -14.446 570 QE LYS 54 QE LYS 54 -6.653 2.081 -12.442 571 QZ LYS 54 QZ LYS 54 -8.643 1.420 -13.279 572 HA PRO 55 HA PRO 55 -3.908 0.043 -21.112 573 1HB PRO 55 2HB PRO 55 -4.213 2.568 -22.377 574 2HB PRO 55 3HB PRO 55 -5.117 1.096 -22.735 575 1HG PRO 55 2HG PRO 55 -6.088 3.512 -21.478 576 2HG PRO 55 3HG PRO 55 -7.003 2.051 -21.860 577 1HD PRO 55 2HD PRO 55 -5.971 2.940 -19.256 578 2HD PRO 55 3HD PRO 55 -7.133 1.651 -19.618 579 QB PRO 55 QB PRO 55 -4.665 1.832 -22.556 580 QG PRO 55 QG PRO 55 -6.545 2.782 -21.669 581 QD PRO 55 QD PRO 55 -6.552 2.296 -19.437 582 H VAL 56 HN VAL 56 -2.919 0.930 -18.660 583 HA VAL 56 HA VAL 56 -0.493 2.382 -19.520 584 HB VAL 56 HB VAL 56 -1.849 4.173 -18.583 585 1HG1 VAL 56 1HG1 VAL 56 -3.437 2.784 -17.307 586 2HG1 VAL 56 2HG1 VAL 56 -2.193 2.430 -16.116 587 3HG1 VAL 56 3HG1 VAL 56 -2.787 4.079 -16.313 588 1HG2 VAL 56 2HG2 VAL 56 0.539 4.185 -17.972 589 2HG2 VAL 56 3HG2 VAL 56 -0.438 4.868 -16.677 590 3HG2 VAL 56 1HG2 VAL 56 0.191 3.231 -16.536 591 QG1 VAL 56 QG1 VAL 56 -2.806 3.097 -16.579 592 QG2 VAL 56 QG2 VAL 56 0.097 4.095 -17.061 593 QQG VAL 56 QQG VAL 56 -1.354 3.596 -16.820 594 H GLU 57 HN GLU 57 1.224 1.219 -18.819 595 HA GLU 57 HA GLU 57 0.743 -0.766 -16.632 596 1HB GLU 57 2HB GLU 57 2.573 -2.073 -18.038 597 2HB GLU 57 3HB GLU 57 0.884 -2.138 -18.492 598 1HG GLU 57 2HG GLU 57 2.215 -1.716 -20.501 599 2HG GLU 57 3HG GLU 57 1.272 -0.286 -20.145 600 QB GLU 57 QB GLU 57 1.729 -2.106 -18.265 601 QG GLU 57 QG GLU 57 1.744 -1.001 -20.323 602 H THR 58 HN THR 58 1.692 1.326 -15.465 603 HA THR 58 HA THR 58 4.669 1.148 -15.605 604 HB THR 58 HB THR 58 4.655 3.385 -14.489 605 HG1 THR 58 1HG THR 58 2.881 3.744 -13.389 606 1HG2 THR 58 3HG2 THR 58 4.297 3.254 -17.021 607 2HG2 THR 58 1HG2 THR 58 2.565 3.248 -16.715 608 3HG2 THR 58 2HG2 THR 58 3.528 4.654 -16.279 609 QG2 THR 58 QG2 THR 58 3.463 3.719 -16.672 610 H VAL 59 HN VAL 59 5.836 1.482 -13.548 611 HA VAL 59 HA VAL 59 4.602 -0.107 -11.330 612 HB VAL 59 HB VAL 59 7.515 0.175 -12.214 613 1HG1 VAL 59 3HG1 VAL 59 7.322 -0.077 -9.731 614 2HG1 VAL 59 1HG1 VAL 59 6.421 -1.572 -9.979 615 3HG1 VAL 59 2HG1 VAL 59 8.097 -1.455 -10.499 616 1HG2 VAL 59 3HG2 VAL 59 5.615 -2.202 -12.262 617 2HG2 VAL 59 1HG2 VAL 59 6.171 -1.291 -13.666 618 3HG2 VAL 59 2HG2 VAL 59 7.311 -2.248 -12.728 619 QG1 VAL 59 QG1 VAL 59 7.280 -1.035 -10.070 620 QG2 VAL 59 QG2 VAL 59 6.366 -1.914 -12.885 621 QQG VAL 59 QQG VAL 59 6.823 -1.474 -11.477 622 HA PRO 60 HA PRO 60 4.859 -0.509 -9.395 623 1HB PRO 60 2HB PRO 60 4.402 0.276 -6.722 624 2HB PRO 60 3HB PRO 60 5.844 -0.539 -7.332 625 1HG PRO 60 2HG PRO 60 5.645 2.168 -6.358 626 2HG PRO 60 3HG PRO 60 7.080 1.358 -6.992 627 1HD PRO 60 2HD PRO 60 5.285 3.301 -8.340 628 2HD PRO 60 3HD PRO 60 6.940 2.817 -8.769 629 QB PRO 60 QB PRO 60 5.123 -0.131 -7.027 630 QG PRO 60 QG PRO 60 6.363 1.763 -6.675 631 QD PRO 60 QD PRO 60 6.112 3.059 -8.554 632 H GLN 61 HN GLN 61 2.798 -1.088 -8.055 633 HA GLN 61 HA GLN 61 0.669 0.978 -8.535 634 1HB GLN 61 2HB GLN 61 0.485 -1.981 -9.223 635 2HB GLN 61 3HB GLN 61 -0.811 -0.808 -9.417 636 1HG GLN 61 2HG GLN 61 1.873 -0.455 -10.804 637 2HG GLN 61 3HG GLN 61 0.581 -1.396 -11.524 638 1HE2 GLN 61 2HE2 GLN 61 0.480 2.413 -12.306 639 2HE2 GLN 61 1HE2 GLN 61 1.846 1.431 -12.088 640 QB GLN 61 QB GLN 61 -0.163 -1.395 -9.320 641 QG GLN 61 QG GLN 61 1.227 -0.925 -11.164 642 QE2 GLN 61 QE2 GLN 61 1.163 1.922 -12.197 643 H ILE 62 HN ILE 62 -0.916 1.063 -6.927 644 HA ILE 62 HA ILE 62 -0.640 -0.947 -4.707 645 HB ILE 62 HB ILE 62 -1.360 1.997 -4.610 646 1HG1 ILE 62 2HG1 ILE 62 0.580 1.759 -2.814 647 2HG1 ILE 62 3HG1 ILE 62 0.970 0.320 -3.747 648 1HG2 ILE 62 1HG2 ILE 62 -1.506 -0.082 -2.393 649 2HG2 ILE 62 2HG2 ILE 62 -1.587 1.652 -2.129 650 3HG2 ILE 62 3HG2 ILE 62 -2.850 0.846 -3.042 651 1HD1 ILE 62 3HD1 ILE 62 0.659 3.099 -4.886 652 2HD1 ILE 62 1HD1 ILE 62 2.193 2.289 -4.584 653 3HD1 ILE 62 2HD1 ILE 62 1.088 1.664 -5.803 654 QG1 ILE 62 QG1 ILE 62 0.775 1.040 -3.281 655 QG2 ILE 62 QG2 ILE 62 -1.981 0.805 -2.521 656 QD1 ILE 62 QD1 ILE 62 1.313 2.351 -5.091 657 H PHE 63 HN PHE 63 -2.335 -1.795 -3.818 658 HA PHE 63 HA PHE 63 -5.068 -1.130 -4.845 659 1HB PHE 63 2HB PHE 63 -3.809 -3.870 -4.386 660 2HB PHE 63 3HB PHE 63 -5.539 -3.620 -4.625 661 HD1 PHE 63 2HD PHE 63 -2.212 -3.375 -6.241 662 HD2 PHE 63 1HD PHE 63 -6.418 -2.970 -6.763 663 HE1 PHE 63 2HE PHE 63 -1.881 -3.100 -8.657 664 HE2 PHE 63 1HE PHE 63 -6.087 -2.703 -9.173 665 HZ PHE 63 HZ PHE 63 -3.822 -2.740 -10.130 666 QB PHE 63 QB PHE 63 -4.674 -3.745 -4.506 667 QR PHE 63 QR PHE 63 -4.150 -3.037 -7.709 668 H VAL 64 HN VAL 64 -6.620 -0.981 -3.253 669 HA VAL 64 HA VAL 64 -5.740 -1.866 -0.521 670 HB VAL 64 HB VAL 64 -7.272 0.679 -1.184 671 1HG1 VAL 64 3HG1 VAL 64 -6.646 -0.657 1.471 672 2HG1 VAL 64 1HG1 VAL 64 -7.229 0.981 1.314 673 3HG1 VAL 64 2HG1 VAL 64 -8.252 -0.356 0.813 674 1HG2 VAL 64 1HG2 VAL 64 -4.720 0.716 -1.337 675 2HG2 VAL 64 2HG2 VAL 64 -5.390 1.797 -0.116 676 3HG2 VAL 64 3HG2 VAL 64 -4.689 0.258 0.360 677 QG1 VAL 64 QG1 VAL 64 -7.376 -0.011 1.199 678 QG2 VAL 64 QG2 VAL 64 -4.933 0.923 -0.364 679 QQG VAL 64 QQG VAL 64 -6.154 0.456 0.417 680 H ASP 65 HN ASP 65 -7.104 -2.966 0.639 681 HA ASP 65 HA ASP 65 -8.826 -4.419 1.116 682 1HB ASP 65 2HB ASP 65 -10.332 -2.031 0.002 683 2HB ASP 65 3HB ASP 65 -11.148 -3.392 0.762 684 QB ASP 65 QB ASP 65 -10.740 -2.712 0.382 685 H GLN 66 HN GLN 66 -10.337 -3.059 -1.715 686 HA GLN 66 HA GLN 66 -9.924 -5.602 -3.145 687 1HB GLN 66 2HB GLN 66 -12.109 -5.701 -1.977 688 2HB GLN 66 3HB GLN 66 -12.597 -4.199 -2.759 689 1HG GLN 66 2HG GLN 66 -12.612 -5.211 -4.920 690 2HG GLN 66 3HG GLN 66 -11.725 -6.614 -4.339 691 1HE2 GLN 66 2HE2 GLN 66 -14.713 -8.310 -3.582 692 2HE2 GLN 66 1HE2 GLN 66 -13.077 -8.397 -4.019 693 QB GLN 66 QB GLN 66 -12.353 -4.950 -2.368 694 QG GLN 66 QG GLN 66 -12.169 -5.912 -4.630 695 QE2 GLN 66 QE2 GLN 66 -13.895 -8.354 -3.801 696 H GLN 67 HN GLN 67 -10.172 -2.151 -3.284 697 HA GLN 67 HA GLN 67 -10.519 -2.259 -6.216 698 1HB GLN 67 2HB GLN 67 -10.924 0.198 -5.957 699 2HB GLN 67 3HB GLN 67 -12.106 -0.800 -5.139 700 1HG GLN 67 2HG GLN 67 -11.123 -0.349 -2.997 701 2HG GLN 67 3HG GLN 67 -9.668 0.315 -3.713 702 1HE2 GLN 67 2HE2 GLN 67 -12.704 2.843 -4.593 703 2HE2 GLN 67 1HE2 GLN 67 -12.661 1.274 -5.240 704 QB GLN 67 QB GLN 67 -11.515 -0.301 -5.548 705 QG GLN 67 QG GLN 67 -10.395 -0.017 -3.355 706 QE2 GLN 67 QE2 GLN 67 -12.682 2.058 -4.917 707 H HIS 68 HN HIS 68 -9.379 -0.754 -7.483 708 HA HIS 68 HA HIS 68 -6.490 -0.796 -6.993 709 1HB HIS 68 2HB HIS 68 -7.327 -1.177 -9.258 710 2HB HIS 68 3HB HIS 68 -8.250 0.294 -9.198 711 HD1 HIS 68 HD1 HIS 68 -7.156 2.300 -9.990 712 HD2 HIS 68 HD2 HIS 68 -4.319 -0.574 -9.257 713 HE1 HIS 68 HE1 HIS 68 -4.984 3.183 -10.915 714 QB HIS 68 QB HIS 68 -7.788 -0.442 -9.228 715 H ILE 69 HN ILE 69 -5.293 0.981 -6.364 716 HA ILE 69 HA ILE 69 -6.928 3.416 -5.753 717 HB ILE 69 HB ILE 69 -4.325 2.536 -4.457 718 1HG1 ILE 69 2HG1 ILE 69 -6.060 0.829 -4.050 719 2HG1 ILE 69 3HG1 ILE 69 -5.755 1.746 -2.595 720 1HG2 ILE 69 2HG2 ILE 69 -6.462 4.549 -3.688 721 2HG2 ILE 69 3HG2 ILE 69 -5.128 4.076 -2.649 722 3HG2 ILE 69 1HG2 ILE 69 -4.813 4.913 -4.170 723 1HD1 ILE 69 2HD1 ILE 69 -7.759 3.128 -3.017 724 2HD1 ILE 69 3HD1 ILE 69 -8.085 2.210 -4.481 725 3HD1 ILE 69 1HD1 ILE 69 -8.174 1.431 -2.913 726 QG1 ILE 69 QG1 ILE 69 -5.907 1.288 -3.322 727 QG2 ILE 69 QG2 ILE 69 -5.468 4.512 -3.502 728 QD1 ILE 69 QD1 ILE 69 -8.006 2.257 -3.470 729 H GLY 70 HN GLY 70 -3.659 2.415 -6.785 730 1HA GLY 70 1HA GLY 70 -3.148 3.724 -9.009 731 2HA GLY 70 2HA GLY 70 -3.309 5.138 -7.978 732 QA GLY 70 QA GLY 70 -3.228 4.431 -8.493 733 H GLY 71 HN GLY 71 -1.216 5.876 -7.942 734 1HA GLY 71 1HA GLY 71 0.979 3.923 -7.373 735 2HA GLY 71 2HA GLY 71 1.196 5.567 -7.968 736 QA GLY 71 QA GLY 71 1.088 4.745 -7.670 737 OH TYR 72 OH TYR 72 4.929 8.871 1.171 738 H TYR 72 HN TYR 72 2.803 5.603 -6.087 739 HA TYR 72 HA TYR 72 1.919 5.402 -3.379 740 1HB TYR 72 2HB TYR 72 4.300 5.442 -3.852 741 2HB TYR 72 3HB TYR 72 4.160 7.015 -4.624 742 HD1 TYR 72 HD2 TYR 72 2.685 5.871 -1.375 743 HD2 TYR 72 HD1 TYR 72 5.436 8.476 -3.308 744 HE1 TYR 72 HE2 TYR 72 3.206 6.923 0.778 745 HE2 TYR 72 HE1 TYR 72 5.952 9.531 -1.164 746 HH TYR 72 HH TYR 72 4.731 9.815 1.105 747 QB TYR 72 QB TYR 72 4.230 6.229 -4.238 748 QR TYR 72 QR TYR 72 4.319 7.700 -1.267 749 H THR 73 HN THR 73 1.425 7.792 -5.787 750 HA THR 73 HA THR 73 0.814 9.998 -3.986 751 HB THR 73 HB THR 73 -0.117 10.958 -6.251 752 HG1 THR 73 1HG THR 73 -0.501 9.326 -7.598 753 1HG2 THR 73 1HG2 THR 73 2.351 11.184 -5.587 754 2HG2 THR 73 2HG2 THR 73 2.649 9.656 -6.409 755 3HG2 THR 73 3HG2 THR 73 2.099 11.060 -7.321 756 QG2 THR 73 QG2 THR 73 2.366 10.633 -6.439 757 H ASP 74 HN ASP 74 -1.278 8.266 -6.282 758 HA ASP 74 HA ASP 74 -3.742 9.137 -5.205 759 1HB ASP 74 2HB ASP 74 -3.341 6.363 -6.339 760 2HB ASP 74 3HB ASP 74 -4.758 7.400 -6.482 761 QB ASP 74 QB ASP 74 -4.050 6.882 -6.411 762 H PHE 75 HN PHE 75 -1.746 6.338 -4.418 763 HA PHE 75 HA PHE 75 -3.493 5.232 -2.445 764 1HB PHE 75 2HB PHE 75 -1.602 3.930 -3.262 765 2HB PHE 75 3HB PHE 75 -0.467 5.153 -2.707 766 HD1 PHE 75 2HD PHE 75 -3.411 3.454 -1.042 767 HD2 PHE 75 1HD PHE 75 0.754 4.353 -0.916 768 HE1 PHE 75 2HE PHE 75 -3.218 2.289 1.115 769 HE2 PHE 75 1HE PHE 75 0.947 3.171 1.218 770 HZ PHE 75 HZ PHE 75 -1.043 2.153 2.249 771 QB PHE 75 QB PHE 75 -1.035 4.541 -2.984 772 QR PHE 75 QR PHE 75 -1.232 3.317 0.094 773 H ALA 76 HN ALA 76 -0.702 7.445 -2.104 774 HA ALA 76 HA ALA 76 -0.911 7.963 0.635 775 1HB ALA 76 3HB ALA 76 -0.262 9.923 -1.604 776 2HB ALA 76 1HB ALA 76 0.084 10.208 0.097 777 3HB ALA 76 2HB ALA 76 0.884 8.893 -0.754 778 QB ALA 76 QB ALA 76 0.236 9.675 -0.754 779 H ALA 77 HN ALA 77 -2.558 9.818 -1.918 780 HA ALA 77 HA ALA 77 -4.090 11.451 -0.117 781 1HB ALA 77 2HB ALA 77 -4.812 10.559 -2.946 782 2HB ALA 77 3HB ALA 77 -5.565 11.889 -2.074 783 3HB ALA 77 1HB ALA 77 -3.870 11.988 -2.536 784 QB ALA 77 QB ALA 77 -4.749 11.479 -2.519 785 CH2 TRP 78 CH2 TRP 78 -8.712 2.761 1.496 786 H TRP 78 HN TRP 78 -5.172 8.641 -2.016 787 HA TRP 78 HA TRP 78 -7.725 8.271 -1.027 788 1HB TRP 78 2HB TRP 78 -6.627 6.823 -2.704 789 2HB TRP 78 3HB TRP 78 -5.656 6.109 -1.451 790 HD1 TRP 78 HD1 TRP 78 -9.011 5.753 -3.141 791 HE1 TRP 78 HE1 TRP 78 -10.309 3.864 -2.126 792 HE3 TRP 78 HE3 TRP 78 -6.176 4.935 0.905 793 HZ2 TRP 78 HZ2 TRP 78 -10.324 2.360 0.172 794 HZ3 TRP 78 HZ3 TRP 78 -6.965 3.300 2.584 795 HH2 TRP 78 HH2 TRP 78 -9.041 2.043 2.236 796 QB TRP 78 QB TRP 78 -6.141 6.466 -2.077 797 H VAL 79 HN VAL 79 -4.716 7.092 0.416 798 HA VAL 79 HA VAL 79 -5.720 5.815 2.700 799 HB VAL 79 HB VAL 79 -3.205 7.367 2.086 800 1HG1 VAL 79 3HG1 VAL 79 -3.804 6.043 4.747 801 2HG1 VAL 79 1HG1 VAL 79 -2.245 6.684 4.252 802 3HG1 VAL 79 2HG1 VAL 79 -3.602 7.768 4.502 803 1HG2 VAL 79 3HG2 VAL 79 -3.547 5.105 1.156 804 2HG2 VAL 79 1HG2 VAL 79 -2.214 5.113 2.303 805 3HG2 VAL 79 2HG2 VAL 79 -3.780 4.466 2.774 806 QG1 VAL 79 QG1 VAL 79 -3.217 6.832 4.500 807 QG2 VAL 79 QG2 VAL 79 -3.180 4.894 2.078 808 QQG VAL 79 QQG VAL 79 -3.199 5.863 3.289 809 H LYS 80 HN LYS 80 -4.619 9.187 2.567 810 HA LYS 80 HA LYS 80 -5.468 9.955 5.128 811 1HB LYS 80 2HB LYS 80 -4.187 11.239 3.200 812 2HB LYS 80 3HB LYS 80 -5.787 11.816 2.770 813 1HG LYS 80 2HG LYS 80 -4.605 12.078 5.557 814 2HG LYS 80 3HG LYS 80 -4.479 13.327 4.331 815 1HD LYS 80 2HD LYS 80 -6.494 14.117 4.935 816 2HD LYS 80 3HD LYS 80 -7.233 12.620 4.417 817 1HE LYS 80 2HE LYS 80 -6.117 11.981 6.916 818 2HE LYS 80 3HE LYS 80 -6.724 13.615 7.137 819 1HZ LYS 80 1HZ LYS 80 -8.673 12.158 5.753 820 2HZ LYS 80 2HZ LYS 80 -8.147 11.213 7.026 821 3HZ LYS 80 3HZ LYS 80 -8.775 12.755 7.338 822 QB LYS 80 QB LYS 80 -4.987 11.527 2.985 823 QG LYS 80 QG LYS 80 -4.542 12.702 4.944 824 QD LYS 80 QD LYS 80 -6.864 13.368 4.676 825 QE LYS 80 QE LYS 80 -6.421 12.798 7.026 826 QZ LYS 80 QZ LYS 80 -8.532 12.042 6.706 827 H GLU 81 HN GLU 81 -7.264 10.159 2.121 828 HA GLU 81 HA GLU 81 -9.632 11.311 3.210 829 1HB GLU 81 2HB GLU 81 -9.414 9.663 0.664 830 2HB GLU 81 3HB GLU 81 -10.627 10.880 1.022 831 1HG GLU 81 2HG GLU 81 -8.920 12.646 1.004 832 2HG GLU 81 3HG GLU 81 -7.654 11.457 0.738 833 QB GLU 81 QB GLU 81 -10.021 10.271 0.843 834 QG GLU 81 QG GLU 81 -8.287 12.052 0.871 835 H ASN 82 HN ASN 82 -8.953 7.874 2.571 836 HA ASN 82 HA ASN 82 -11.683 7.327 3.641 837 1HB ASN 82 2HB ASN 82 -9.773 5.526 2.125 838 2HB ASN 82 3HB ASN 82 -11.407 5.089 2.635 839 1HD2 ASN 82 2HD2 ASN 82 -10.883 7.771 -0.412 840 2HD2 ASN 82 1HD2 ASN 82 -9.577 7.347 0.594 841 QB ASN 82 QB ASN 82 -10.590 5.308 2.380 842 QD2 ASN 82 QD2 ASN 82 -10.230 7.559 0.091 843 H LEU 83 HN LEU 83 -8.385 6.969 4.632 844 HA LEU 83 HA LEU 83 -9.246 4.906 6.594 845 1HB LEU 83 2HB LEU 83 -6.483 6.051 6.081 846 2HB LEU 83 3HB LEU 83 -6.855 4.725 7.174 847 HG LEU 83 HG LEU 83 -7.261 4.750 4.166 848 1HD1 LEU 83 3HD1 LEU 83 -5.397 3.189 5.982 849 2HD1 LEU 83 1HD1 LEU 83 -5.564 2.918 4.249 850 3HD1 LEU 83 2HD1 LEU 83 -4.938 4.443 4.849 851 1HD2 LEU 83 1HD2 LEU 83 -7.874 2.572 6.202 852 2HD2 LEU 83 2HD2 LEU 83 -9.060 3.465 5.254 853 3HD2 LEU 83 3HD2 LEU 83 -7.949 2.367 4.454 854 QB LEU 83 QB LEU 83 -6.669 5.388 6.627 855 QD1 LEU 83 QD1 LEU 83 -5.300 3.517 5.027 856 QD2 LEU 83 QD2 LEU 83 -8.294 2.801 5.303 857 QQD LEU 83 QQD LEU 83 -6.797 3.159 5.165 858 H ASP 84 HN ASP 84 -8.593 8.301 6.367 859 HA ASP 84 HA ASP 84 -9.099 8.423 9.313 860 1HB ASP 84 2HB ASP 84 -6.869 9.908 7.871 861 2HB ASP 84 3HB ASP 84 -7.303 10.123 9.562 862 QB ASP 84 QB ASP 84 -7.086 10.016 8.717 863 H ALA 85 HN ALA 85 -10.765 8.987 6.944 864 HA ALA 85 HA ALA 85 -12.261 10.628 6.197 865 1HB ALA 85 3HB ALA 85 -11.761 11.687 9.009 866 2HB ALA 85 1HB ALA 85 -13.096 12.173 7.971 867 3HB ALA 85 2HB ALA 85 -12.998 10.515 8.553 868 QB ALA 85 QB ALA 85 -12.618 11.458 8.511 Start of MODEL 15 Raw file had 868 H/Q atoms Start of MODEL 15 1 H MET 1 HN MET 1 -8.564 -1.172 6.788 2 HA MET 1 HA MET 1 -9.192 -3.925 6.618 3 1HB MET 1 2HB MET 1 -9.529 -3.474 4.236 4 2HB MET 1 3HB MET 1 -10.128 -2.100 5.149 5 1HG MET 1 2HG MET 1 -7.558 -2.334 3.589 6 2HG MET 1 3HG MET 1 -8.851 -1.190 3.359 7 1HE MET 1 1HE MET 1 -9.669 0.164 5.276 8 2HE MET 1 2HE MET 1 -8.632 1.086 6.362 9 3HE MET 1 3HE MET 1 -8.669 1.467 4.638 10 QB MET 1 QB MET 1 -9.829 -2.787 4.692 11 QG MET 1 QG MET 1 -8.204 -1.762 3.474 12 QE MET 1 QE MET 1 -8.990 0.905 5.425 13 H GLN 2 HN GLN 2 -7.972 -4.544 4.037 14 HA GLN 2 HA GLN 2 -5.233 -5.258 4.963 15 1HB GLN 2 2HB GLN 2 -6.963 -7.044 4.332 16 2HB GLN 2 3HB GLN 2 -6.869 -6.425 2.690 17 1HG GLN 2 2HG GLN 2 -4.365 -6.858 2.765 18 2HG GLN 2 3HG GLN 2 -4.622 -7.635 4.323 19 1HE2 GLN 2 2HE2 GLN 2 -6.454 -9.459 1.136 20 2HE2 GLN 2 1HE2 GLN 2 -6.511 -7.768 1.249 21 QB GLN 2 QB GLN 2 -6.916 -6.735 3.511 22 QG GLN 2 QG GLN 2 -4.494 -7.247 3.544 23 QE2 GLN 2 QE2 GLN 2 -6.482 -8.614 1.192 24 H THR 3 HN THR 3 -3.490 -5.025 3.243 25 HA THR 3 HA THR 3 -4.270 -3.470 0.845 26 HB THR 3 HB THR 3 -2.377 -2.369 2.978 27 HG1 THR 3 1HG THR 3 -4.918 -2.230 2.737 28 1HG2 THR 3 1HG2 THR 3 -3.147 -1.202 0.259 29 2HG2 THR 3 2HG2 THR 3 -2.128 -0.431 1.464 30 3HG2 THR 3 3HG2 THR 3 -1.557 -1.864 0.623 31 QG2 THR 3 QG2 THR 3 -2.277 -1.166 0.782 32 H VAL 4 HN VAL 4 -2.691 -3.525 -0.852 33 HA VAL 4 HA VAL 4 -0.384 -5.396 -0.353 34 HB VAL 4 HB VAL 4 -2.080 -5.475 -2.858 35 1HG1 VAL 4 2HG1 VAL 4 -0.105 -7.408 -1.591 36 2HG1 VAL 4 3HG1 VAL 4 -0.984 -7.696 -3.089 37 3HG1 VAL 4 1HG1 VAL 4 0.202 -6.402 -3.004 38 1HG2 VAL 4 2HG2 VAL 4 -2.352 -7.230 -0.392 39 2HG2 VAL 4 3HG2 VAL 4 -3.554 -6.078 -0.969 40 3HG2 VAL 4 1HG2 VAL 4 -3.167 -7.502 -1.928 41 QG1 VAL 4 QG1 VAL 4 -0.296 -7.169 -2.561 42 QG2 VAL 4 QG2 VAL 4 -3.024 -6.937 -1.096 43 QQG VAL 4 QQG VAL 4 -1.660 -7.053 -1.829 44 H ILE 5 HN ILE 5 1.480 -4.756 -1.179 45 HA ILE 5 HA ILE 5 1.440 -2.487 -3.161 46 HB ILE 5 HB ILE 5 3.676 -3.253 -1.241 47 1HG1 ILE 5 2HG1 ILE 5 1.602 -2.401 -0.077 48 2HG1 ILE 5 3HG1 ILE 5 3.018 -1.390 0.154 49 1HG2 ILE 5 1HG2 ILE 5 3.259 -0.845 -3.061 50 2HG2 ILE 5 2HG2 ILE 5 4.544 -0.971 -1.861 51 3HG2 ILE 5 3HG2 ILE 5 4.499 -2.084 -3.227 52 1HD1 ILE 5 2HD1 ILE 5 0.814 -0.876 -1.863 53 2HD1 ILE 5 3HD1 ILE 5 1.020 -0.018 -0.342 54 3HD1 ILE 5 1HD1 ILE 5 2.218 0.147 -1.615 55 QG1 ILE 5 QG1 ILE 5 2.310 -1.896 0.039 56 QG2 ILE 5 QG2 ILE 5 4.101 -1.300 -2.716 57 QD1 ILE 5 QD1 ILE 5 1.351 -0.249 -1.273 58 H PHE 6 HN PHE 6 2.076 -3.122 -5.181 59 HA PHE 6 HA PHE 6 3.593 -5.677 -5.440 60 1HB PHE 6 2HB PHE 6 1.990 -4.103 -7.497 61 2HB PHE 6 3HB PHE 6 2.843 -5.601 -7.828 62 HD1 PHE 6 2HD PHE 6 0.160 -4.200 -5.609 63 HD2 PHE 6 1HD PHE 6 1.706 -7.652 -7.569 64 HE1 PHE 6 2HE PHE 6 -1.855 -5.455 -5.012 65 HE2 PHE 6 1HE PHE 6 -0.299 -8.908 -6.940 66 HZ PHE 6 HZ PHE 6 -2.087 -7.810 -5.661 67 QB PHE 6 QB PHE 6 2.417 -4.852 -7.662 68 QR PHE 6 QR PHE 6 -0.072 -6.554 -6.283 69 H GLY 7 HN GLY 7 5.738 -5.104 -5.372 70 1HA GLY 7 1HA GLY 7 6.618 -3.170 -7.473 71 2HA GLY 7 2HA GLY 7 7.173 -2.891 -5.840 72 QA GLY 7 QA GLY 7 6.895 -3.031 -6.657 73 NH1 ARG 8 NH1 ARG 8 8.947 -3.942 -12.889 74 NH2 ARG 8 NH2 ARG 8 10.856 -2.908 -13.571 75 H ARG 8 HN ARG 8 9.384 -3.261 -6.351 76 HA ARG 8 HA ARG 8 10.053 -6.077 -7.104 77 1HB ARG 8 2HB ARG 8 11.809 -3.678 -7.758 78 2HB ARG 8 3HB ARG 8 11.906 -5.298 -8.435 79 1HG ARG 8 2HG ARG 8 9.577 -4.900 -9.414 80 2HG ARG 8 3HG ARG 8 9.751 -3.220 -8.929 81 1HD ARG 8 2HD ARG 8 12.016 -3.318 -10.264 82 2HD ARG 8 3HD ARG 8 11.312 -4.743 -11.026 83 HE ARG 8 HE ARG 8 9.897 -2.094 -11.044 84 1HH1 ARG 8 2HH1 ARG 8 8.336 -4.189 -12.139 85 2HH1 ARG 8 1HH1 ARG 8 8.721 -4.212 -13.822 86 1HH2 ARG 8 2HH2 ARG 8 11.678 -2.393 -13.327 87 2HH2 ARG 8 1HH2 ARG 8 10.680 -3.138 -14.529 88 QB ARG 8 QB ARG 8 11.857 -4.488 -8.097 89 QG ARG 8 QG ARG 8 9.664 -4.060 -9.172 90 QD ARG 8 QD ARG 8 11.664 -4.030 -10.645 91 QH1 ARG 8 QH1 ARG 8 8.529 -4.200 -12.981 92 QH2 ARG 8 QH2 ARG 8 11.179 -2.766 -13.928 93 H SER 9 HN SER 9 12.987 -5.258 -6.634 94 HA SER 9 HA SER 9 12.854 -5.279 -3.635 95 1HB SER 9 2HB SER 9 14.960 -6.569 -5.413 96 2HB SER 9 3HB SER 9 14.852 -6.684 -3.646 97 HG SER 9 HG SER 9 12.455 -7.217 -4.472 98 QB SER 9 QB SER 9 14.906 -6.626 -4.530 99 H GLY 10 HN GLY 10 12.977 -2.901 -3.831 100 1HA GLY 10 1HA GLY 10 14.777 -1.380 -2.942 101 2HA GLY 10 2HA GLY 10 15.845 -2.053 -4.168 102 QA GLY 10 QA GLY 10 15.311 -1.716 -3.555 103 H CYS 11 HN CYS 11 12.494 -0.992 -4.441 104 HA CYS 11 HA CYS 11 13.354 0.955 -6.524 105 1HB CYS 11 2HB CYS 11 10.651 0.762 -6.792 106 2HB CYS 11 3HB CYS 11 11.806 -0.172 -7.705 107 QB CYS 11 QB CYS 11 11.228 0.295 -7.249 108 HA PRO 12 HA PRO 12 12.912 3.772 -2.982 109 1HB PRO 12 2HB PRO 12 12.624 5.629 -5.337 110 2HB PRO 12 3HB PRO 12 13.579 5.830 -3.860 111 1HG PRO 12 2HG PRO 12 14.723 5.033 -6.215 112 2HG PRO 12 3HG PRO 12 15.324 4.483 -4.648 113 1HD PRO 12 2HD PRO 12 13.856 2.948 -6.718 114 2HD PRO 12 3HD PRO 12 14.845 2.345 -5.372 115 QB PRO 12 QB PRO 12 13.101 5.730 -4.599 116 QG PRO 12 QG PRO 12 15.024 4.758 -5.432 117 QD PRO 12 QD PRO 12 14.350 2.647 -6.045 118 OH TYR 13 OH TYR 13 3.326 6.861 -6.899 119 H TYR 13 HN TYR 13 10.761 3.664 -5.741 120 HA TYR 13 HA TYR 13 8.594 5.117 -4.456 121 1HB TYR 13 2HB TYR 13 9.079 4.787 -6.995 122 2HB TYR 13 3HB TYR 13 8.281 3.237 -6.805 123 HD1 TYR 13 HD1 TYR 13 5.949 3.578 -5.219 124 HD2 TYR 13 HD2 TYR 13 7.723 6.445 -7.832 125 HE1 TYR 13 HE1 TYR 13 3.803 4.737 -5.419 126 HE2 TYR 13 HE2 TYR 13 5.563 7.557 -8.070 127 HH TYR 13 HH TYR 13 3.148 6.930 -7.847 128 QB TYR 13 QB TYR 13 8.680 4.012 -6.900 129 QR TYR 13 QR TYR 13 5.760 5.579 -6.635 130 H CYS 14 HN CYS 14 9.027 1.637 -5.333 131 HA CYS 14 HA CYS 14 6.672 0.705 -4.033 132 1HB CYS 14 2HB CYS 14 7.724 -1.476 -3.951 133 2HB CYS 14 3HB CYS 14 8.046 -0.728 -5.488 134 QB CYS 14 QB CYS 14 7.885 -1.102 -4.720 135 H VAL 15 HN VAL 15 9.912 1.310 -2.925 136 HA VAL 15 HA VAL 15 9.629 0.503 -0.208 137 HB VAL 15 HB VAL 15 11.352 2.710 -1.399 138 1HG1 VAL 15 1HG1 VAL 15 11.080 2.881 1.096 139 2HG1 VAL 15 2HG1 VAL 15 11.624 1.212 1.238 140 3HG1 VAL 15 3HG1 VAL 15 12.721 2.445 0.630 141 1HG2 VAL 15 1HG2 VAL 15 11.688 0.436 -2.359 142 2HG2 VAL 15 2HG2 VAL 15 13.078 0.936 -1.404 143 3HG2 VAL 15 3HG2 VAL 15 11.916 -0.207 -0.737 144 QG1 VAL 15 QG1 VAL 15 11.808 2.179 0.988 145 QG2 VAL 15 QG2 VAL 15 12.227 0.389 -1.500 146 QQG VAL 15 QQG VAL 15 12.018 1.284 -0.256 147 NH1 ARG 16 NH1 ARG 16 9.092 6.929 2.484 148 NH2 ARG 16 NH2 ARG 16 7.418 8.427 2.854 149 H ARG 16 HN ARG 16 9.329 3.743 -1.689 150 HA ARG 16 HA ARG 16 8.492 5.236 0.461 151 1HB ARG 16 2HB ARG 16 8.934 6.210 -1.696 152 2HB ARG 16 3HB ARG 16 7.661 5.273 -2.446 153 1HG ARG 16 2HG ARG 16 6.840 7.491 -2.166 154 2HG ARG 16 3HG ARG 16 5.998 6.462 -1.024 155 1HD ARG 16 2HD ARG 16 8.463 8.058 -0.275 156 2HD ARG 16 3HD ARG 16 6.831 8.689 -0.090 157 HE ARG 16 HE ARG 16 6.672 6.281 1.248 158 1HH1 ARG 16 1HH1 ARG 16 9.406 6.112 1.987 159 2HH1 ARG 16 2HH1 ARG 16 9.655 7.301 3.216 160 1HH2 ARG 16 2HH2 ARG 16 6.544 8.834 2.540 161 2HH2 ARG 16 1HH2 ARG 16 7.863 8.783 3.670 162 QB ARG 16 QB ARG 16 8.298 5.742 -2.071 163 QG ARG 16 QG ARG 16 6.419 6.976 -1.595 164 QD ARG 16 QD ARG 16 7.647 8.373 -0.183 165 QH1 ARG 16 QH1 ARG 16 9.531 6.706 2.602 166 QH2 ARG 16 QH2 ARG 16 7.204 8.808 3.105 167 H ALA 17 HN ALA 17 6.388 3.397 -1.733 168 HA ALA 17 HA ALA 17 3.945 3.894 -0.344 169 1HB ALA 17 3HB ALA 17 4.052 2.860 -2.589 170 2HB ALA 17 1HB ALA 17 4.728 1.398 -1.879 171 3HB ALA 17 2HB ALA 17 3.087 1.900 -1.478 172 QB ALA 17 QB ALA 17 3.956 2.052 -1.982 173 H LYS 18 HN LYS 18 6.348 1.289 0.041 174 HA LYS 18 HA LYS 18 5.051 -0.133 2.105 175 1HB LYS 18 2HB LYS 18 6.976 -1.266 1.618 176 2HB LYS 18 3HB LYS 18 7.841 0.185 1.185 177 1HG LYS 18 2HG LYS 18 7.294 -0.091 4.093 178 2HG LYS 18 3HG LYS 18 8.351 -1.316 3.421 179 1HD LYS 18 2HD LYS 18 9.876 0.328 2.536 180 2HD LYS 18 3HD LYS 18 8.778 1.644 2.897 181 1HE LYS 18 2HE LYS 18 10.039 -0.125 5.005 182 2HE LYS 18 3HE LYS 18 10.675 1.447 4.523 183 1HZ LYS 18 1HZ LYS 18 7.885 1.524 5.136 184 2HZ LYS 18 2HZ LYS 18 8.814 0.984 6.455 185 3HZ LYS 18 3HZ LYS 18 9.157 2.497 5.712 186 QB LYS 18 QB LYS 18 7.409 -0.540 1.401 187 QG LYS 18 QG LYS 18 7.823 -0.704 3.757 188 QD LYS 18 QD LYS 18 9.327 0.986 2.716 189 QE LYS 18 QE LYS 18 10.357 0.661 4.764 190 QZ LYS 18 QZ LYS 18 8.618 1.669 5.767 191 H ASP 19 HN ASP 19 7.199 2.721 2.361 192 HA ASP 19 HA ASP 19 7.029 3.059 5.156 193 1HB ASP 19 2HB ASP 19 7.061 5.213 3.034 194 2HB ASP 19 3HB ASP 19 7.446 5.443 4.728 195 QB ASP 19 QB ASP 19 7.254 5.328 3.881 196 H LEU 20 HN LEU 20 4.867 4.380 2.657 197 HA LEU 20 HA LEU 20 3.017 5.606 4.418 198 1HB LEU 20 2HB LEU 20 2.813 5.934 2.019 199 2HB LEU 20 3HB LEU 20 2.500 4.236 1.758 200 HG LEU 20 HG LEU 20 0.313 4.375 2.702 201 1HD1 LEU 20 1HD1 LEU 20 1.056 7.145 3.732 202 2HD1 LEU 20 2HD1 LEU 20 -0.524 6.391 3.888 203 3HD1 LEU 20 3HD1 LEU 20 0.857 5.711 4.731 204 1HD2 LEU 20 2HD2 LEU 20 0.534 5.446 0.469 205 2HD2 LEU 20 3HD2 LEU 20 -0.734 6.217 1.420 206 3HD2 LEU 20 1HD2 LEU 20 0.841 6.995 1.246 207 QB LEU 20 QB LEU 20 2.657 5.085 1.889 208 QD1 LEU 20 QD1 LEU 20 0.463 6.415 4.117 209 QD2 LEU 20 QD2 LEU 20 0.214 6.219 1.045 210 QQD LEU 20 QQD LEU 20 0.338 6.317 2.581 211 H ALA 21 HN ALA 21 2.740 2.308 3.045 212 HA ALA 21 HA ALA 21 0.456 1.548 4.540 213 1HB ALA 21 3HB ALA 21 1.393 0.141 2.716 214 2HB ALA 21 1HB ALA 21 2.787 -0.236 3.727 215 3HB ALA 21 2HB ALA 21 1.184 -0.792 4.188 216 QB ALA 21 QB ALA 21 1.788 -0.296 3.544 217 H GLU 22 HN GLU 22 3.897 1.082 5.382 218 HA GLU 22 HA GLU 22 3.552 -0.114 7.892 219 1HB GLU 22 2HB GLU 22 5.650 1.543 6.547 220 2HB GLU 22 3HB GLU 22 5.786 1.346 8.274 221 1HG GLU 22 2HG GLU 22 5.676 -1.125 8.001 222 2HG GLU 22 3HG GLU 22 5.562 -0.907 6.257 223 QB GLU 22 QB GLU 22 5.718 1.444 7.411 224 QG GLU 22 QG GLU 22 5.619 -1.016 7.129 225 H LYS 23 HN LYS 23 3.824 3.338 7.088 226 HA LYS 23 HA LYS 23 3.588 4.442 9.647 227 1HB LYS 23 2HB LYS 23 3.826 5.746 7.474 228 2HB LYS 23 3HB LYS 23 2.103 5.508 7.220 229 1HG LYS 23 2HG LYS 23 1.588 6.665 9.325 230 2HG LYS 23 3HG LYS 23 3.298 6.801 9.705 231 1HD LYS 23 2HD LYS 23 2.710 8.933 8.828 232 2HD LYS 23 3HD LYS 23 3.534 8.115 7.507 233 1HE LYS 23 2HE LYS 23 1.549 9.139 6.591 234 2HE LYS 23 3HE LYS 23 1.268 7.404 6.631 235 1HZ LYS 23 2HZ LYS 23 0.412 8.507 9.085 236 2HZ LYS 23 3HZ LYS 23 -0.260 9.413 7.830 237 3HZ LYS 23 1HZ LYS 23 -0.509 7.740 7.887 238 QB LYS 23 QB LYS 23 2.965 5.627 7.347 239 QG LYS 23 QG LYS 23 2.443 6.733 9.515 240 QD LYS 23 QD LYS 23 3.122 8.524 8.168 241 QE LYS 23 QE LYS 23 1.408 8.272 6.611 242 QZ LYS 23 QZ LYS 23 -0.119 8.553 8.267 243 H LEU 24 HN LEU 24 0.879 3.797 7.438 244 HA LEU 24 HA LEU 24 -1.223 4.333 9.217 245 1HB LEU 24 2HB LEU 24 -0.954 2.252 7.014 246 2HB LEU 24 3HB LEU 24 -2.482 2.529 7.840 247 HG LEU 24 HG LEU 24 -0.914 4.783 6.541 248 1HD1 LEU 24 1HD1 LEU 24 -1.470 3.007 4.862 249 2HD1 LEU 24 2HD1 LEU 24 -3.154 3.076 5.372 250 3HD1 LEU 24 3HD1 LEU 24 -2.406 4.469 4.602 251 1HD2 LEU 24 2HD2 LEU 24 -2.752 5.196 8.288 252 2HD2 LEU 24 3HD2 LEU 24 -3.027 5.944 6.726 253 3HD2 LEU 24 1HD2 LEU 24 -3.863 4.468 7.148 254 QB LEU 24 QB LEU 24 -1.718 2.390 7.427 255 QD1 LEU 24 QD1 LEU 24 -2.343 3.517 4.945 256 QD2 LEU 24 QD2 LEU 24 -3.214 5.202 7.387 257 QQD LEU 24 QQD LEU 24 -2.779 4.360 6.166 258 H SER 25 HN SER 25 0.195 1.120 8.612 259 HA SER 25 HA SER 25 -1.231 -0.388 10.448 260 1HB SER 25 2HB SER 25 1.760 -0.493 9.887 261 2HB SER 25 3HB SER 25 0.815 -1.801 10.635 262 HG SER 25 HG SER 25 -0.617 -1.654 8.810 263 QB SER 25 QB SER 25 1.287 -1.147 10.261 264 H ASN 26 HN ASN 26 1.265 1.970 11.158 265 HA ASN 26 HA ASN 26 1.215 1.336 14.050 266 1HB ASN 26 2HB ASN 26 2.743 3.336 12.357 267 2HB ASN 26 3HB ASN 26 2.790 3.377 14.116 268 1HD2 ASN 26 2HD2 ASN 26 4.666 0.324 12.157 269 2HD2 ASN 26 1HD2 ASN 26 3.551 1.292 11.308 270 QB ASN 26 QB ASN 26 2.767 3.356 13.237 271 QD2 ASN 26 QD2 ASN 26 4.108 0.808 11.732 272 H GLU 27 HN GLU 27 0.090 3.855 11.844 273 HA GLU 27 HA GLU 27 -1.143 5.330 14.101 274 1HB GLU 27 2HB GLU 27 -1.541 7.082 12.470 275 2HB GLU 27 3HB GLU 27 0.141 6.599 12.409 276 1HG GLU 27 2HG GLU 27 -0.121 5.602 10.335 277 2HG GLU 27 3HG GLU 27 -1.851 5.365 10.569 278 QB GLU 27 QB GLU 27 -0.700 6.841 12.439 279 QG GLU 27 QG GLU 27 -0.986 5.484 10.452 280 NH1 ARG 28 NH1 ARG 28 -6.669 6.470 10.199 281 NH2 ARG 28 NH2 ARG 28 -4.797 7.258 9.193 282 H ARG 28 HN ARG 28 -2.142 2.766 12.897 283 HA ARG 28 HA ARG 28 -4.961 3.689 12.590 284 1HB ARG 28 2HB ARG 28 -3.495 2.671 10.450 285 2HB ARG 28 3HB ARG 28 -4.347 1.258 11.039 286 1HG ARG 28 2HG ARG 28 -6.098 2.031 9.803 287 2HG ARG 28 3HG ARG 28 -6.328 3.211 11.085 288 1HD ARG 28 2HD ARG 28 -4.453 3.625 8.741 289 2HD ARG 28 3HD ARG 28 -6.111 4.193 8.745 290 HE ARG 28 HE ARG 28 -4.144 5.162 10.803 291 1HH1 ARG 28 2HH1 ARG 28 -7.138 5.736 10.682 292 2HH1 ARG 28 1HH1 ARG 28 -7.163 7.332 9.992 293 1HH2 ARG 28 2HH2 ARG 28 -3.824 7.141 8.943 294 2HH2 ARG 28 1HH2 ARG 28 -5.279 8.113 8.955 295 QB ARG 28 QB ARG 28 -3.921 1.964 10.745 296 QG ARG 28 QG ARG 28 -6.213 2.621 10.444 297 QD ARG 28 QD ARG 28 -5.282 3.909 8.743 298 QH1 ARG 28 QH1 ARG 28 -7.150 6.534 10.337 299 QH2 ARG 28 QH2 ARG 28 -4.552 7.627 8.949 300 H ASP 29 HN ASP 29 -6.367 1.654 12.635 301 HA ASP 29 HA ASP 29 -5.446 -0.041 14.926 302 1HB ASP 29 2HB ASP 29 -7.290 1.527 15.480 303 2HB ASP 29 3HB ASP 29 -8.239 0.878 14.155 304 QB ASP 29 QB ASP 29 -7.764 1.203 14.817 305 H ASP 30 HN ASP 30 -7.260 0.154 11.966 306 HA ASP 30 HA ASP 30 -7.383 -2.809 11.737 307 1HB ASP 30 2HB ASP 30 -9.277 -2.346 10.262 308 2HB ASP 30 3HB ASP 30 -9.473 -1.358 11.709 309 QB ASP 30 QB ASP 30 -9.375 -1.852 10.986 310 H PHE 31 HN PHE 31 -5.006 -0.952 10.804 311 HA PHE 31 HA PHE 31 -5.277 -1.514 7.882 312 1HB PHE 31 2HB PHE 31 -4.774 0.824 8.578 313 2HB PHE 31 3HB PHE 31 -3.227 0.267 9.213 314 HD1 PHE 31 2HD PHE 31 -5.268 0.492 6.105 315 HD2 PHE 31 1HD PHE 31 -1.399 -0.186 7.744 316 HE1 PHE 31 2HE PHE 31 -4.312 0.444 3.839 317 HE2 PHE 31 1HE PHE 31 -0.453 -0.228 5.500 318 HZ PHE 31 HZ PHE 31 -1.901 0.102 3.535 319 QB PHE 31 QB PHE 31 -4.001 0.546 8.895 320 QR PHE 31 QR PHE 31 -2.858 0.131 5.797 321 H GLN 32 HN GLN 32 -4.665 -3.531 7.539 322 HA GLN 32 HA GLN 32 -1.918 -4.370 8.408 323 1HB GLN 32 2HB GLN 32 -4.114 -6.205 7.405 324 2HB GLN 32 3HB GLN 32 -2.689 -6.631 8.346 325 1HG GLN 32 2HG GLN 32 -3.590 -5.430 10.301 326 2HG GLN 32 3HG GLN 32 -4.987 -4.902 9.366 327 1HE2 GLN 32 2HE2 GLN 32 -5.484 -8.225 11.295 328 2HE2 GLN 32 1HE2 GLN 32 -4.576 -6.873 11.769 329 QB GLN 32 QB GLN 32 -3.402 -6.418 7.876 330 QG GLN 32 QG GLN 32 -4.289 -5.166 9.834 331 QE2 GLN 32 QE2 GLN 32 -5.030 -7.549 11.532 332 OH TYR 33 OH TYR 33 5.062 -3.197 6.556 333 H TYR 33 HN TYR 33 -0.469 -4.573 6.726 334 HA TYR 33 HA TYR 33 -1.569 -4.746 3.952 335 1HB TYR 33 2HB TYR 33 -0.056 -3.079 3.180 336 2HB TYR 33 3HB TYR 33 -0.752 -2.408 4.654 337 HD1 TYR 33 HD1 TYR 33 0.615 -2.449 6.789 338 HD2 TYR 33 HD2 TYR 33 2.251 -3.711 3.065 339 HE1 TYR 33 HE1 TYR 33 2.849 -2.494 7.781 340 HE2 TYR 33 HE2 TYR 33 4.482 -3.729 4.051 341 HH TYR 33 HH TYR 33 5.714 -2.902 5.912 342 QB TYR 33 QB TYR 33 -0.404 -2.744 3.917 343 QR TYR 33 QR TYR 33 2.549 -3.096 5.422 344 H GLN 34 HN GLN 34 -0.062 -5.615 2.412 345 HA GLN 34 HA GLN 34 2.190 -7.191 3.591 346 1HB GLN 34 2HB GLN 34 0.333 -8.738 3.168 347 2HB GLN 34 3HB GLN 34 0.128 -8.094 1.543 348 1HG GLN 34 2HG GLN 34 2.447 -8.887 0.970 349 2HG GLN 34 3HG GLN 34 2.575 -9.592 2.575 350 1HE2 GLN 34 2HE2 GLN 34 -0.526 -11.544 1.100 351 2HE2 GLN 34 1HE2 GLN 34 -0.613 -10.038 1.877 352 QB GLN 34 QB GLN 34 0.230 -8.416 2.356 353 QG GLN 34 QG GLN 34 2.511 -9.240 1.772 354 QE2 GLN 34 QE2 GLN 34 -0.570 -10.791 1.489 355 OH TYR 35 OH TYR 35 8.579 -3.713 -3.592 356 H TYR 35 HN TYR 35 4.006 -7.412 2.241 357 HA TYR 35 HA TYR 35 3.996 -5.488 -0.044 358 1HB TYR 35 2HB TYR 35 5.791 -5.196 1.700 359 2HB TYR 35 3HB TYR 35 6.393 -6.805 1.298 360 HD1 TYR 35 HD1 TYR 35 7.153 -7.245 -1.131 361 HD2 TYR 35 HD2 TYR 35 6.355 -3.326 0.330 362 HE1 TYR 35 HE1 TYR 35 8.263 -6.290 -3.096 363 HE2 TYR 35 HE2 TYR 35 7.457 -2.373 -1.637 364 HH TYR 35 HH TYR 35 9.216 -4.367 -3.922 365 QB TYR 35 QB TYR 35 6.092 -6.000 1.499 366 QR TYR 35 QR TYR 35 7.307 -4.809 -1.383 367 H VAL 36 HN VAL 36 4.230 -6.218 -2.060 368 HA VAL 36 HA VAL 36 4.721 -9.129 -2.446 369 HB VAL 36 HB VAL 36 2.557 -7.295 -3.393 370 1HG1 VAL 36 2HG1 VAL 36 3.758 -9.436 -5.212 371 2HG1 VAL 36 3HG1 VAL 36 2.195 -8.677 -5.463 372 3HG1 VAL 36 1HG1 VAL 36 3.668 -7.720 -5.562 373 1HG2 VAL 36 2HG2 VAL 36 2.796 -10.300 -2.986 374 2HG2 VAL 36 3HG2 VAL 36 2.178 -9.146 -1.812 375 3HG2 VAL 36 1HG2 VAL 36 1.303 -9.433 -3.312 376 QG1 VAL 36 QG1 VAL 36 3.207 -8.611 -5.412 377 QG2 VAL 36 QG2 VAL 36 2.092 -9.626 -2.704 378 QQG VAL 36 QQG VAL 36 2.650 -9.119 -4.058 379 H ASP 37 HN ASP 37 6.109 -9.680 -3.972 380 HA ASP 37 HA ASP 37 7.652 -7.504 -5.356 381 1HB ASP 37 2HB ASP 37 9.014 -8.733 -3.731 382 2HB ASP 37 3HB ASP 37 8.493 -10.262 -4.407 383 QB ASP 37 QB ASP 37 8.753 -9.497 -4.069 384 H ILE 38 HN ILE 38 7.013 -7.415 -7.359 385 HA ILE 38 HA ILE 38 5.551 -9.340 -8.807 386 HB ILE 38 HB ILE 38 6.047 -8.033 -10.783 387 1HG1 ILE 38 2HG1 ILE 38 8.263 -6.777 -9.132 388 2HG1 ILE 38 3HG1 ILE 38 8.490 -7.962 -10.409 389 1HG2 ILE 38 2HG2 ILE 38 5.919 -6.270 -8.298 390 2HG2 ILE 38 3HG2 ILE 38 5.492 -5.748 -9.921 391 3HG2 ILE 38 1HG2 ILE 38 4.544 -6.989 -9.118 392 1HD1 ILE 38 3HD1 ILE 38 7.390 -6.412 -12.028 393 2HD1 ILE 38 1HD1 ILE 38 7.276 -5.203 -10.742 394 3HD1 ILE 38 2HD1 ILE 38 8.857 -5.737 -11.320 395 QG1 ILE 38 QG1 ILE 38 8.377 -7.370 -9.771 396 QG2 ILE 38 QG2 ILE 38 5.319 -6.336 -9.112 397 QD1 ILE 38 QD1 ILE 38 7.841 -5.784 -11.363 398 NH1 ARG 39 NH2 ARG 39 13.388 -9.842 -6.074 399 NH2 ARG 39 NH1 ARG 39 15.560 -9.879 -6.777 400 H ARG 39 HN ARG 39 8.953 -9.102 -8.135 401 HA ARG 39 HA ARG 39 9.696 -11.021 -10.229 402 1HB ARG 39 2HB ARG 39 11.286 -9.275 -9.265 403 2HB ARG 39 3HB ARG 39 11.327 -10.226 -7.790 404 1HG ARG 39 2HG ARG 39 12.084 -12.209 -9.129 405 2HG ARG 39 3HG ARG 39 12.122 -11.191 -10.560 406 1HD ARG 39 2HD ARG 39 14.366 -11.158 -9.822 407 2HD ARG 39 3HD ARG 39 13.706 -9.650 -9.186 408 HE ARG 39 HE ARG 39 13.955 -12.123 -7.490 409 1HH1 ARG 39 2HH2 ARG 39 12.457 -10.211 -6.145 410 2HH1 ARG 39 1HH2 ARG 39 13.561 -9.112 -5.411 411 1HH2 ARG 39 2HH1 ARG 39 16.251 -10.267 -7.391 412 2HH2 ARG 39 1HH1 ARG 39 15.821 -9.174 -6.115 413 QB ARG 39 QB ARG 39 11.306 -9.750 -8.528 414 QG ARG 39 QG ARG 39 12.103 -11.700 -9.844 415 QD ARG 39 QD ARG 39 14.036 -10.404 -9.504 416 QH1 ARG 39 QH2 ARG 39 13.009 -9.661 -5.778 417 QH2 ARG 39 QH1 ARG 39 16.036 -9.721 -6.753 418 H ALA 40 HN ALA 40 9.879 -11.169 -6.652 419 HA ALA 40 HA ALA 40 10.312 -13.846 -6.209 420 1HB ALA 40 2HB ALA 40 9.895 -12.222 -4.380 421 2HB ALA 40 3HB ALA 40 8.177 -12.229 -4.779 422 3HB ALA 40 1HB ALA 40 8.942 -13.688 -4.166 423 QB ALA 40 QB ALA 40 9.004 -12.713 -4.442 424 H GLU 41 HN GLU 41 7.208 -12.428 -7.052 425 HA GLU 41 HA GLU 41 5.864 -15.023 -7.126 426 1HB GLU 41 2HB GLU 41 5.098 -12.164 -7.684 427 2HB GLU 41 3HB GLU 41 4.012 -13.449 -8.188 428 1HG GLU 41 2HG GLU 41 3.965 -14.353 -5.906 429 2HG GLU 41 3HG GLU 41 5.121 -13.138 -5.377 430 QB GLU 41 QB GLU 41 4.555 -12.807 -7.936 431 QG GLU 41 QG GLU 41 4.543 -13.745 -5.641 432 H GLY 42 HN GLY 42 6.915 -12.675 -9.602 433 1HA GLY 42 1HA GLY 42 7.898 -13.501 -11.698 434 2HA GLY 42 2HA GLY 42 6.902 -14.947 -11.555 435 QA GLY 42 QA GLY 42 7.400 -14.224 -11.627 436 H ILE 43 HN ILE 43 6.249 -11.495 -11.383 437 HA ILE 43 HA ILE 43 3.922 -11.858 -13.191 438 HB ILE 43 HB ILE 43 4.729 -9.552 -11.372 439 1HG1 ILE 43 2HG1 ILE 43 2.774 -11.852 -11.032 440 2HG1 ILE 43 3HG1 ILE 43 4.200 -11.521 -10.063 441 1HG2 ILE 43 2HG2 ILE 43 2.118 -10.046 -12.862 442 2HG2 ILE 43 3HG2 ILE 43 2.409 -8.737 -11.720 443 3HG2 ILE 43 1HG2 ILE 43 3.284 -8.777 -13.229 444 1HD1 ILE 43 2HD1 ILE 43 3.152 -9.394 -9.277 445 2HD1 ILE 43 3HD1 ILE 43 1.704 -9.790 -10.201 446 3HD1 ILE 43 1HD1 ILE 43 2.192 -10.807 -8.855 447 QG1 ILE 43 QG1 ILE 43 3.487 -11.687 -10.548 448 QG2 ILE 43 QG2 ILE 43 2.604 -9.187 -12.604 449 QD1 ILE 43 QD1 ILE 43 2.349 -9.997 -9.445 450 H THR 44 HN THR 44 3.560 -9.872 -14.644 451 HA THR 44 HA THR 44 6.083 -9.276 -16.098 452 HB THR 44 HB THR 44 4.624 -8.852 -18.040 453 HG1 THR 44 1HG THR 44 2.251 -9.491 -17.050 454 1HG2 THR 44 2HG2 THR 44 5.024 -11.280 -17.397 455 2HG2 THR 44 3HG2 THR 44 3.529 -11.229 -16.465 456 3HG2 THR 44 1HG2 THR 44 3.490 -11.022 -18.218 457 QG2 THR 44 QG2 THR 44 4.014 -11.177 -17.360 458 H LYS 45 HN LYS 45 5.399 -6.951 -17.437 459 HA LYS 45 HA LYS 45 4.677 -5.056 -15.221 460 1HB LYS 45 2HB LYS 45 6.142 -3.376 -16.294 461 2HB LYS 45 3HB LYS 45 7.023 -4.760 -15.666 462 1HG LYS 45 2HG LYS 45 7.577 -5.561 -17.763 463 2HG LYS 45 3HG LYS 45 6.163 -4.860 -18.523 464 1HD LYS 45 2HD LYS 45 7.735 -2.700 -17.466 465 2HD LYS 45 3HD LYS 45 8.819 -3.771 -18.342 466 1HE LYS 45 2HE LYS 45 7.820 -2.024 -19.809 467 2HE LYS 45 3HE LYS 45 7.411 -3.652 -20.331 468 1HZ LYS 45 3HZ LYS 45 5.433 -2.806 -18.502 469 2HZ LYS 45 1HZ LYS 45 5.649 -1.581 -19.684 470 3HZ LYS 45 2HZ LYS 45 5.287 -3.187 -20.144 471 QB LYS 45 QB LYS 45 6.583 -4.068 -15.980 472 QG LYS 45 QG LYS 45 6.870 -5.210 -18.143 473 QD LYS 45 QD LYS 45 8.277 -3.235 -17.904 474 QE LYS 45 QE LYS 45 7.615 -2.838 -20.070 475 QZ LYS 45 QZ LYS 45 5.456 -2.524 -19.443 476 H GLU 46 HN GLU 46 3.262 -6.486 -17.096 477 HA GLU 46 HA GLU 46 1.761 -4.435 -18.680 478 1HB GLU 46 2HB GLU 46 2.086 -7.463 -19.012 479 2HB GLU 46 3HB GLU 46 0.848 -6.552 -19.855 480 1HG GLU 46 2HG GLU 46 2.895 -6.991 -21.238 481 2HG GLU 46 3HG GLU 46 2.517 -5.287 -21.072 482 QB GLU 46 QB GLU 46 1.467 -7.008 -19.433 483 QG GLU 46 QG GLU 46 2.706 -6.139 -21.155 484 H ASP 47 HN ASP 47 1.605 -7.513 -17.026 485 HA ASP 47 HA ASP 47 -1.067 -7.761 -16.353 486 1HB ASP 47 2HB ASP 47 1.508 -8.636 -15.132 487 2HB ASP 47 3HB ASP 47 0.120 -8.685 -14.068 488 QB ASP 47 QB ASP 47 0.814 -8.661 -14.600 489 H LEU 48 HN LEU 48 1.452 -6.112 -14.566 490 HA LEU 48 HA LEU 48 -0.066 -5.297 -12.347 491 1HB LEU 48 2HB LEU 48 2.304 -4.000 -13.720 492 2HB LEU 48 3HB LEU 48 1.696 -3.482 -12.153 493 HG LEU 48 HG LEU 48 2.353 -6.399 -12.719 494 1HD1 LEU 48 1HD1 LEU 48 4.399 -5.010 -13.084 495 2HD1 LEU 48 2HD1 LEU 48 4.214 -4.373 -11.454 496 3HD1 LEU 48 3HD1 LEU 48 4.529 -6.081 -11.699 497 1HD2 LEU 48 3HD2 LEU 48 2.142 -4.761 -10.157 498 2HD2 LEU 48 1HD2 LEU 48 0.957 -5.927 -10.728 499 3HD2 LEU 48 2HD2 LEU 48 2.552 -6.475 -10.238 500 QB LEU 48 QB LEU 48 2.000 -3.741 -12.937 501 QD1 LEU 48 QD1 LEU 48 4.381 -5.154 -12.079 502 QD2 LEU 48 QD2 LEU 48 1.884 -5.721 -10.375 503 QQD LEU 48 QQD LEU 48 3.132 -5.438 -11.227 504 H GLN 49 HN GLN 49 0.132 -3.755 -15.529 505 HA GLN 49 HA GLN 49 -1.455 -1.457 -14.644 506 1HB GLN 49 2HB GLN 49 0.137 -1.303 -16.565 507 2HB GLN 49 3HB GLN 49 -0.856 -2.448 -17.464 508 1HG GLN 49 2HG GLN 49 -2.804 -0.849 -17.210 509 2HG GLN 49 3HG GLN 49 -1.696 0.298 -16.468 510 1HE2 GLN 49 2HE2 GLN 49 -0.117 1.160 -19.503 511 2HE2 GLN 49 1HE2 GLN 49 -0.061 1.287 -17.809 512 QB GLN 49 QB GLN 49 -0.360 -1.875 -17.014 513 QG GLN 49 QG GLN 49 -2.250 -0.275 -16.839 514 QE2 GLN 49 QE2 GLN 49 -0.089 1.224 -18.656 515 H GLN 50 HN GLN 50 -1.973 -4.291 -16.673 516 HA GLN 50 HA GLN 50 -4.700 -3.964 -17.281 517 1HB GLN 50 2HB GLN 50 -3.242 -5.711 -18.240 518 2HB GLN 50 3HB GLN 50 -3.137 -6.507 -16.682 519 1HG GLN 50 2HG GLN 50 -5.764 -6.057 -18.129 520 2HG GLN 50 3HG GLN 50 -4.801 -7.513 -18.314 521 1HE2 GLN 50 2HE2 GLN 50 -7.358 -7.569 -15.373 522 2HE2 GLN 50 1HE2 GLN 50 -7.516 -6.764 -16.857 523 QB GLN 50 QB GLN 50 -3.189 -6.109 -17.461 524 QG GLN 50 QG GLN 50 -5.283 -6.785 -18.222 525 QE2 GLN 50 QE2 GLN 50 -7.437 -7.167 -16.115 526 H LYS 51 HN LYS 51 -3.196 -5.472 -14.499 527 HA LYS 51 HA LYS 51 -5.534 -6.351 -13.182 528 1HB LYS 51 2HB LYS 51 -2.740 -6.210 -12.577 529 2HB LYS 51 3HB LYS 51 -3.616 -5.572 -11.199 530 1HG LYS 51 2HG LYS 51 -4.871 -7.542 -10.903 531 2HG LYS 51 3HG LYS 51 -4.554 -8.118 -12.528 532 1HD LYS 51 2HD LYS 51 -2.547 -7.946 -10.246 533 2HD LYS 51 3HD LYS 51 -3.254 -9.419 -10.892 534 1HE LYS 51 2HE LYS 51 -1.241 -7.579 -12.192 535 2HE LYS 51 3HE LYS 51 -1.133 -9.310 -11.930 536 1HZ LYS 51 1HZ LYS 51 -3.370 -8.816 -13.551 537 2HZ LYS 51 2HZ LYS 51 -2.077 -7.954 -14.184 538 3HZ LYS 51 3HZ LYS 51 -1.937 -9.638 -13.965 539 QB LYS 51 QB LYS 51 -3.178 -5.891 -11.888 540 QG LYS 51 QG LYS 51 -4.713 -7.830 -11.715 541 QD LYS 51 QD LYS 51 -2.900 -8.683 -10.569 542 QE LYS 51 QE LYS 51 -1.187 -8.444 -12.061 543 QZ LYS 51 QZ LYS 51 -2.461 -8.803 -13.900 544 H ALA 52 HN ALA 52 -4.388 -3.178 -13.614 545 HA ALA 52 HA ALA 52 -5.904 -2.141 -11.303 546 1HB ALA 52 3HB ALA 52 -4.401 -0.696 -13.534 547 2HB ALA 52 1HB ALA 52 -5.106 0.080 -12.121 548 3HB ALA 52 2HB ALA 52 -3.758 -1.036 -11.931 549 QB ALA 52 QB ALA 52 -4.421 -0.551 -12.529 550 H GLY 53 HN GLY 53 -5.803 -1.903 -14.816 551 1HA GLY 53 1HA GLY 53 -7.598 -1.875 -16.363 552 2HA GLY 53 2HA GLY 53 -8.719 -2.063 -15.018 553 QA GLY 53 QA GLY 53 -8.159 -1.969 -15.690 554 H LYS 54 HN LYS 54 -7.380 0.281 -13.687 555 HA LYS 54 HA LYS 54 -8.808 2.403 -15.228 556 1HB LYS 54 2HB LYS 54 -8.171 2.182 -12.259 557 2HB LYS 54 3HB LYS 54 -9.008 3.536 -12.999 558 1HG LYS 54 2HG LYS 54 -10.875 2.155 -13.650 559 2HG LYS 54 3HG LYS 54 -10.013 0.681 -13.239 560 1HD LYS 54 2HD LYS 54 -10.546 2.803 -11.150 561 2HD LYS 54 3HD LYS 54 -11.769 1.606 -11.540 562 1HE LYS 54 2HE LYS 54 -8.918 0.944 -10.700 563 2HE LYS 54 3HE LYS 54 -10.302 0.924 -9.617 564 1HZ LYS 54 3HZ LYS 54 -11.025 -0.583 -11.835 565 2HZ LYS 54 1HZ LYS 54 -9.442 -1.072 -11.425 566 3HZ LYS 54 2HZ LYS 54 -10.691 -1.128 -10.248 567 QB LYS 54 QB LYS 54 -8.589 2.859 -12.629 568 QG LYS 54 QG LYS 54 -10.444 1.418 -13.445 569 QD LYS 54 QD LYS 54 -11.157 2.205 -11.345 570 QE LYS 54 QE LYS 54 -9.610 0.934 -10.159 571 QZ LYS 54 QZ LYS 54 -10.386 -0.928 -11.169 572 HA PRO 55 HA PRO 55 -5.666 4.223 -16.719 573 1HB PRO 55 2HB PRO 55 -5.995 6.943 -15.551 574 2HB PRO 55 3HB PRO 55 -6.199 6.405 -17.223 575 1HG PRO 55 2HG PRO 55 -8.335 7.027 -15.640 576 2HG PRO 55 3HG PRO 55 -8.429 5.766 -16.876 577 1HD PRO 55 2HD PRO 55 -8.148 5.469 -13.893 578 2HD PRO 55 3HD PRO 55 -9.034 4.455 -15.053 579 QB PRO 55 QB PRO 55 -6.097 6.674 -16.387 580 QG PRO 55 QG PRO 55 -8.382 6.396 -16.258 581 QD PRO 55 QD PRO 55 -8.591 4.962 -14.473 582 H VAL 56 HN VAL 56 -4.184 2.968 -15.214 583 HA VAL 56 HA VAL 56 -2.526 4.713 -13.482 584 HB VAL 56 HB VAL 56 -3.317 2.459 -12.679 585 1HG1 VAL 56 2HG1 VAL 56 -3.182 1.262 -14.841 586 2HG1 VAL 56 3HG1 VAL 56 -1.426 1.417 -14.814 587 3HG1 VAL 56 1HG1 VAL 56 -2.245 0.437 -13.602 588 1HG2 VAL 56 1HG2 VAL 56 -1.244 3.487 -11.749 589 2HG2 VAL 56 2HG2 VAL 56 -1.131 1.736 -11.781 590 3HG2 VAL 56 3HG2 VAL 56 -0.294 2.688 -12.996 591 QG1 VAL 56 QG1 VAL 56 -2.284 1.039 -14.419 592 QG2 VAL 56 QG2 VAL 56 -0.890 2.637 -12.175 593 QQG VAL 56 QQG VAL 56 -1.587 1.838 -13.297 594 H GLU 57 HN GLU 57 -0.199 4.533 -13.689 595 HA GLU 57 HA GLU 57 0.620 4.755 -16.508 596 1HB GLU 57 2HB GLU 57 2.813 5.522 -15.241 597 2HB GLU 57 3HB GLU 57 1.407 6.575 -15.237 598 1HG GLU 57 2HG GLU 57 0.855 6.078 -13.014 599 2HG GLU 57 3HG GLU 57 1.677 4.522 -13.035 600 QB GLU 57 QB GLU 57 2.110 6.048 -15.239 601 QG GLU 57 QG GLU 57 1.266 5.300 -13.025 602 H THR 58 HN THR 58 3.000 3.846 -14.185 603 HA THR 58 HA THR 58 3.085 1.081 -15.304 604 HB THR 58 HB THR 58 4.752 2.607 -16.473 605 HG1 THR 58 1HG THR 58 5.736 0.738 -16.530 606 1HG2 THR 58 2HG2 THR 58 6.080 2.635 -13.721 607 2HG2 THR 58 3HG2 THR 58 6.750 3.307 -15.201 608 3HG2 THR 58 1HG2 THR 58 5.328 4.036 -14.468 609 QG2 THR 58 QG2 THR 58 6.053 3.326 -14.463 610 H VAL 59 HN VAL 59 5.369 0.350 -13.949 611 HA VAL 59 HA VAL 59 4.293 -0.166 -11.264 612 HB VAL 59 HB VAL 59 6.760 -1.112 -12.788 613 1HG1 VAL 59 1HG1 VAL 59 7.105 -1.190 -10.258 614 2HG1 VAL 59 2HG1 VAL 59 5.728 -2.294 -10.183 615 3HG1 VAL 59 3HG1 VAL 59 7.167 -2.750 -11.065 616 1HG2 VAL 59 3HG2 VAL 59 4.149 -2.451 -12.030 617 2HG2 VAL 59 1HG2 VAL 59 4.612 -1.925 -13.644 618 3HG2 VAL 59 2HG2 VAL 59 5.485 -3.238 -12.864 619 QG1 VAL 59 QG1 VAL 59 6.667 -2.078 -10.502 620 QG2 VAL 59 QG2 VAL 59 4.748 -2.538 -12.846 621 QQG VAL 59 QQG VAL 59 5.708 -2.308 -11.674 622 HA PRO 60 HA PRO 60 5.131 -0.775 -9.329 623 1HB PRO 60 2HB PRO 60 4.956 0.443 -6.806 624 2HB PRO 60 3HB PRO 60 6.269 -0.601 -7.364 625 1HG PRO 60 2HG PRO 60 6.378 2.225 -6.826 626 2HG PRO 60 3HG PRO 60 7.683 1.211 -7.434 627 1HD PRO 60 2HD PRO 60 5.888 3.066 -8.929 628 2HD PRO 60 3HD PRO 60 7.487 2.448 -9.395 629 QB PRO 60 QB PRO 60 5.612 -0.079 -7.085 630 QG PRO 60 QG PRO 60 7.031 1.718 -7.130 631 QD PRO 60 QD PRO 60 6.688 2.757 -9.162 632 H GLN 61 HN GLN 61 3.150 -1.152 -8.125 633 HA GLN 61 HA GLN 61 1.162 1.055 -8.420 634 1HB GLN 61 2HB GLN 61 0.761 -1.832 -9.311 635 2HB GLN 61 3HB GLN 61 -0.468 -0.579 -9.339 636 1HG GLN 61 2HG GLN 61 1.107 0.778 -10.851 637 2HG GLN 61 3HG GLN 61 2.102 -0.671 -10.962 638 1HE2 GLN 61 2HE2 GLN 61 -1.677 -1.245 -12.386 639 2HE2 GLN 61 1HE2 GLN 61 -1.481 -0.397 -10.928 640 QB GLN 61 QB GLN 61 0.146 -1.206 -9.325 641 QG GLN 61 QG GLN 61 1.604 0.053 -10.906 642 QE2 GLN 61 QE2 GLN 61 -1.579 -0.821 -11.657 643 H ILE 62 HN ILE 62 -0.708 0.824 -7.081 644 HA ILE 62 HA ILE 62 -0.239 -0.963 -4.714 645 HB ILE 62 HB ILE 62 -1.230 1.901 -4.793 646 1HG1 ILE 62 2HG1 ILE 62 1.315 0.625 -3.737 647 2HG1 ILE 62 3HG1 ILE 62 1.193 1.600 -5.193 648 1HG2 ILE 62 3HG2 ILE 62 -0.826 0.005 -2.438 649 2HG2 ILE 62 1HG2 ILE 62 -1.222 1.716 -2.303 650 3HG2 ILE 62 2HG2 ILE 62 -2.370 0.601 -3.025 651 1HD1 ILE 62 3HD1 ILE 62 0.320 3.483 -3.784 652 2HD1 ILE 62 1HD1 ILE 62 0.662 2.502 -2.359 653 3HD1 ILE 62 2HD1 ILE 62 1.974 3.014 -3.408 654 QG1 ILE 62 QG1 ILE 62 1.254 1.112 -4.465 655 QG2 ILE 62 QG2 ILE 62 -1.473 0.774 -2.589 656 QD1 ILE 62 QD1 ILE 62 0.985 3.000 -3.184 657 H PHE 63 HN PHE 63 -1.917 -1.841 -3.770 658 HA PHE 63 HA PHE 63 -4.635 -1.428 -4.954 659 1HB PHE 63 2HB PHE 63 -3.262 -4.048 -4.270 660 2HB PHE 63 3HB PHE 63 -4.990 -3.919 -4.553 661 HD1 PHE 63 2HD PHE 63 -1.773 -2.913 -6.223 662 HD2 PHE 63 1HD PHE 63 -5.754 -4.342 -6.719 663 HE1 PHE 63 2HE PHE 63 -1.446 -2.978 -8.648 664 HE2 PHE 63 1HE PHE 63 -5.410 -4.448 -9.145 665 HZ PHE 63 HZ PHE 63 -3.266 -3.704 -10.111 666 QB PHE 63 QB PHE 63 -4.126 -3.983 -4.412 667 QR PHE 63 QR PHE 63 -3.596 -3.670 -7.684 668 H VAL 64 HN VAL 64 -6.042 -0.843 -3.373 669 HA VAL 64 HA VAL 64 -5.211 -1.457 -0.572 670 HB VAL 64 HB VAL 64 -7.351 0.364 -1.719 671 1HG1 VAL 64 2HG1 VAL 64 -6.942 -0.427 1.198 672 2HG1 VAL 64 3HG1 VAL 64 -8.041 0.823 0.622 673 3HG1 VAL 64 1HG1 VAL 64 -8.340 -0.859 0.214 674 1HG2 VAL 64 1HG2 VAL 64 -5.004 1.210 -1.492 675 2HG2 VAL 64 2HG2 VAL 64 -6.090 2.045 -0.383 676 3HG2 VAL 64 3HG2 VAL 64 -5.024 0.779 0.214 677 QG1 VAL 64 QG1 VAL 64 -7.774 -0.155 0.678 678 QG2 VAL 64 QG2 VAL 64 -5.373 1.345 -0.554 679 QQG VAL 64 QQG VAL 64 -6.574 0.595 0.062 680 H ASP 65 HN ASP 65 -5.972 -3.156 0.364 681 HA ASP 65 HA ASP 65 -7.179 -5.077 0.819 682 1HB ASP 65 2HB ASP 65 -8.955 -3.049 0.744 683 2HB ASP 65 3HB ASP 65 -9.580 -3.996 -0.590 684 QB ASP 65 QB ASP 65 -9.268 -3.523 0.077 685 H GLN 66 HN GLN 66 -8.707 -4.153 -2.210 686 HA GLN 66 HA GLN 66 -7.270 -6.273 -3.654 687 1HB GLN 66 2HB GLN 66 -9.777 -6.783 -4.597 688 2HB GLN 66 3HB GLN 66 -8.944 -7.742 -3.391 689 1HG GLN 66 2HG GLN 66 -11.222 -7.155 -2.686 690 2HG GLN 66 3HG GLN 66 -10.037 -6.490 -1.588 691 1HE2 GLN 66 2HE2 GLN 66 -11.746 -3.443 -1.891 692 2HE2 GLN 66 1HE2 GLN 66 -11.282 -4.729 -0.867 693 QB GLN 66 QB GLN 66 -9.360 -7.262 -3.994 694 QG GLN 66 QG GLN 66 -10.630 -6.823 -2.137 695 QE2 GLN 66 QE2 GLN 66 -11.514 -4.086 -1.379 696 H GLN 67 HN GLN 67 -8.606 -3.184 -3.645 697 HA GLN 67 HA GLN 67 -8.979 -3.149 -6.544 698 1HB GLN 67 2HB GLN 67 -10.646 -2.363 -4.740 699 2HB GLN 67 3HB GLN 67 -9.527 -1.046 -4.440 700 1HG GLN 67 2HG GLN 67 -11.229 -0.369 -5.971 701 2HG GLN 67 3HG GLN 67 -9.672 -0.386 -6.786 702 1HE2 GLN 67 2HE2 GLN 67 -11.704 -3.808 -7.659 703 2HE2 GLN 67 1HE2 GLN 67 -11.262 -3.451 -6.058 704 QB GLN 67 QB GLN 67 -10.086 -1.704 -4.590 705 QG GLN 67 QG GLN 67 -10.450 -0.377 -6.379 706 QE2 GLN 67 QE2 GLN 67 -11.483 -3.630 -6.858 707 H HIS 68 HN HIS 68 -7.667 -1.962 -7.880 708 HA HIS 68 HA HIS 68 -5.110 -1.037 -6.886 709 1HB HIS 68 2HB HIS 68 -5.435 -1.839 -9.191 710 2HB HIS 68 3HB HIS 68 -6.487 -0.491 -9.524 711 HD1 HIS 68 HD1 HIS 68 -5.395 1.539 -10.294 712 HD2 HIS 68 HD2 HIS 68 -2.619 -0.908 -8.516 713 HE1 HIS 68 HE1 HIS 68 -3.153 2.625 -10.640 714 QB HIS 68 QB HIS 68 -5.961 -1.165 -9.357 715 H ILE 69 HN ILE 69 -4.652 0.980 -6.091 716 HA ILE 69 HA ILE 69 -6.894 2.962 -6.211 717 HB ILE 69 HB ILE 69 -4.691 2.582 -4.167 718 1HG1 ILE 69 2HG1 ILE 69 -6.610 0.993 -4.082 719 2HG1 ILE 69 3HG1 ILE 69 -6.534 2.030 -2.669 720 1HG2 ILE 69 1HG2 ILE 69 -6.827 4.736 -4.288 721 2HG2 ILE 69 2HG2 ILE 69 -5.795 4.421 -2.897 722 3HG2 ILE 69 3HG2 ILE 69 -5.091 4.982 -4.409 723 1HD1 ILE 69 3HD1 ILE 69 -8.386 2.462 -5.042 724 2HD1 ILE 69 1HD1 ILE 69 -8.855 1.826 -3.472 725 3HD1 ILE 69 2HD1 ILE 69 -8.296 3.488 -3.610 726 QG1 ILE 69 QG1 ILE 69 -6.572 1.512 -3.375 727 QG2 ILE 69 QG2 ILE 69 -5.904 4.713 -3.865 728 QD1 ILE 69 QD1 ILE 69 -8.512 2.592 -4.041 729 H GLY 70 HN GLY 70 -3.405 2.627 -6.681 730 1HA GLY 70 1HA GLY 70 -2.956 4.251 -8.752 731 2HA GLY 70 2HA GLY 70 -3.312 5.475 -7.540 732 QA GLY 70 QA GLY 70 -3.134 4.863 -8.146 733 H GLY 71 HN GLY 71 -1.447 6.382 -6.986 734 1HA GLY 71 1HA GLY 71 0.964 4.638 -6.645 735 2HA GLY 71 2HA GLY 71 1.022 6.337 -7.097 736 QA GLY 71 QA GLY 71 0.993 5.487 -6.871 737 OH TYR 72 OH TYR 72 5.034 9.680 1.800 738 H TYR 72 HN TYR 72 2.320 6.884 -5.395 739 HA TYR 72 HA TYR 72 1.608 6.310 -2.619 740 1HB TYR 72 2HB TYR 72 3.939 6.506 -3.254 741 2HB TYR 72 3HB TYR 72 3.674 8.103 -3.934 742 HD1 TYR 72 HD2 TYR 72 3.287 6.300 -0.632 743 HD2 TYR 72 HD1 TYR 72 4.136 9.966 -2.631 744 HE1 TYR 72 HE2 TYR 72 4.091 7.276 1.471 745 HE2 TYR 72 HE1 TYR 72 4.877 10.943 -0.516 746 HH TYR 72 HH TYR 72 4.902 10.639 1.781 747 QB TYR 72 QB TYR 72 3.807 7.305 -3.594 748 QR TYR 72 QR TYR 72 4.097 8.621 -0.577 749 H THR 73 HN THR 73 1.847 9.311 -4.509 750 HA THR 73 HA THR 73 0.864 11.126 -2.627 751 HB THR 73 HB THR 73 -0.071 12.177 -5.013 752 HG1 THR 73 1HG THR 73 0.239 10.181 -6.108 753 1HG2 THR 73 2HG2 THR 73 1.998 12.964 -3.714 754 2HG2 THR 73 3HG2 THR 73 2.900 11.657 -4.472 755 3HG2 THR 73 1HG2 THR 73 2.234 12.955 -5.460 756 QG2 THR 73 QG2 THR 73 2.377 12.525 -4.549 757 H ASP 74 HN ASP 74 -1.210 9.727 -5.179 758 HA ASP 74 HA ASP 74 -3.661 10.661 -4.139 759 1HB ASP 74 2HB ASP 74 -4.604 8.596 -5.395 760 2HB ASP 74 3HB ASP 74 -3.695 9.765 -6.346 761 QB ASP 74 QB ASP 74 -4.150 9.180 -5.870 762 H PHE 75 HN PHE 75 -2.358 7.359 -3.822 763 HA PHE 75 HA PHE 75 -4.097 6.286 -1.979 764 1HB PHE 75 2HB PHE 75 -2.134 5.143 -3.000 765 2HB PHE 75 3HB PHE 75 -1.063 6.051 -1.955 766 HD1 PHE 75 2HD PHE 75 -4.253 4.830 -0.535 767 HD2 PHE 75 1HD PHE 75 -0.131 3.948 -1.142 768 HE1 PHE 75 2HE PHE 75 -4.384 3.021 1.113 769 HE2 PHE 75 1HE PHE 75 -0.272 2.152 0.518 770 HZ PHE 75 HZ PHE 75 -2.408 1.683 1.636 771 QB PHE 75 QB PHE 75 -1.599 5.597 -2.478 772 QR PHE 75 QR PHE 75 -2.260 3.488 -0.012 773 H ALA 76 HN ALA 76 -1.271 8.284 -1.195 774 HA ALA 76 HA ALA 76 -1.520 8.397 1.613 775 1HB ALA 76 2HB ALA 76 0.433 9.236 0.275 776 2HB ALA 76 3HB ALA 76 -0.553 10.557 -0.318 777 3HB ALA 76 1HB ALA 76 -0.147 10.471 1.391 778 QB ALA 76 QB ALA 76 -0.089 10.088 0.449 779 H ALA 77 HN ALA 77 -2.612 10.810 -0.746 780 HA ALA 77 HA ALA 77 -4.098 12.455 1.008 781 1HB ALA 77 2HB ALA 77 -4.676 11.780 -1.911 782 2HB ALA 77 3HB ALA 77 -5.349 13.156 -1.035 783 3HB ALA 77 1HB ALA 77 -3.619 13.066 -1.343 784 QB ALA 77 QB ALA 77 -4.548 12.668 -1.430 785 CH2 TRP 78 CH2 TRP 78 -8.106 3.478 1.368 786 H TRP 78 HN TRP 78 -5.356 9.976 -1.159 787 HA TRP 78 HA TRP 78 -7.996 9.741 -0.347 788 1HB TRP 78 2HB TRP 78 -7.076 8.396 -2.152 789 2HB TRP 78 3HB TRP 78 -5.958 7.619 -1.081 790 HD1 TRP 78 HD1 TRP 78 -9.649 7.449 -2.169 791 HE1 TRP 78 HE1 TRP 78 -10.721 5.411 -1.198 792 HE3 TRP 78 HE3 TRP 78 -5.824 5.866 0.582 793 HZ2 TRP 78 HZ2 TRP 78 -10.104 3.375 0.616 794 HZ3 TRP 78 HZ3 TRP 78 -6.098 3.840 1.986 795 HH2 TRP 78 HH2 TRP 78 -8.205 2.585 1.967 796 QB TRP 78 QB TRP 78 -6.517 8.008 -1.616 797 H VAL 79 HN VAL 79 -5.338 7.809 0.970 798 HA VAL 79 HA VAL 79 -6.502 6.486 3.083 799 HB VAL 79 HB VAL 79 -3.798 7.815 2.769 800 1HG1 VAL 79 2HG1 VAL 79 -4.711 6.316 5.243 801 2HG1 VAL 79 3HG1 VAL 79 -3.067 6.841 4.904 802 3HG1 VAL 79 1HG1 VAL 79 -4.324 8.031 5.184 803 1HG2 VAL 79 1HG2 VAL 79 -4.653 4.931 3.180 804 2HG2 VAL 79 2HG2 VAL 79 -4.219 5.653 1.642 805 3HG2 VAL 79 3HG2 VAL 79 -3.006 5.477 2.889 806 QG1 VAL 79 QG1 VAL 79 -4.034 7.063 5.110 807 QG2 VAL 79 QG2 VAL 79 -3.959 5.354 2.570 808 QQG VAL 79 QQG VAL 79 -3.997 6.208 3.840 809 H LYS 80 HN LYS 80 -4.909 9.618 3.354 810 HA LYS 80 HA LYS 80 -5.751 10.418 5.878 811 1HB LYS 80 2HB LYS 80 -4.497 11.625 3.724 812 2HB LYS 80 3HB LYS 80 -5.993 12.532 3.794 813 1HG LYS 80 2HG LYS 80 -3.998 12.147 6.056 814 2HG LYS 80 3HG LYS 80 -4.272 13.633 5.167 815 1HD LYS 80 2HD LYS 80 -6.329 12.239 6.918 816 2HD LYS 80 3HD LYS 80 -5.392 13.634 7.396 817 1HE LYS 80 2HE LYS 80 -6.943 14.976 6.469 818 2HE LYS 80 3HE LYS 80 -6.590 14.279 4.895 819 1HZ LYS 80 2HZ LYS 80 -8.191 12.481 6.376 820 2HZ LYS 80 3HZ LYS 80 -8.915 14.028 6.369 821 3HZ LYS 80 1HZ LYS 80 -8.528 13.272 4.907 822 QB LYS 80 QB LYS 80 -5.245 12.079 3.759 823 QG LYS 80 QG LYS 80 -4.135 12.890 5.612 824 QD LYS 80 QD LYS 80 -5.861 12.936 7.157 825 QE LYS 80 QE LYS 80 -6.767 14.628 5.682 826 QZ LYS 80 QZ LYS 80 -8.545 13.260 5.884 827 H GLU 81 HN GLU 81 -7.477 11.031 2.849 828 HA GLU 81 HA GLU 81 -9.849 12.024 4.262 829 1HB GLU 81 2HB GLU 81 -9.742 11.302 1.335 830 2HB GLU 81 3HB GLU 81 -10.684 12.550 2.107 831 1HG GLU 81 2HG GLU 81 -7.674 12.571 1.698 832 2HG GLU 81 3HG GLU 81 -8.836 13.561 0.855 833 QB GLU 81 QB GLU 81 -10.213 11.926 1.721 834 QG GLU 81 QG GLU 81 -8.255 13.066 1.276 835 H ASN 82 HN ASN 82 -9.043 9.123 4.575 836 HA ASN 82 HA ASN 82 -11.796 8.073 4.155 837 1HB ASN 82 2HB ASN 82 -9.223 6.827 3.182 838 2HB ASN 82 3HB ASN 82 -10.586 5.801 3.617 839 1HD2 ASN 82 2HD2 ASN 82 -10.968 8.334 0.431 840 2HD2 ASN 82 1HD2 ASN 82 -9.890 8.716 1.678 841 QB ASN 82 QB ASN 82 -9.905 6.314 3.400 842 QD2 ASN 82 QD2 ASN 82 -10.429 8.525 1.055 843 H LEU 83 HN LEU 83 -8.672 7.536 5.689 844 HA LEU 83 HA LEU 83 -9.979 5.800 7.710 845 1HB LEU 83 2HB LEU 83 -7.043 6.521 7.601 846 2HB LEU 83 3HB LEU 83 -7.804 5.105 8.326 847 HG LEU 83 HG LEU 83 -7.684 5.746 5.349 848 1HD1 LEU 83 2HD1 LEU 83 -5.579 4.869 6.345 849 2HD1 LEU 83 3HD1 LEU 83 -6.458 3.451 6.907 850 3HD1 LEU 83 1HD1 LEU 83 -6.293 3.761 5.185 851 1HD2 LEU 83 1HD2 LEU 83 -8.951 3.407 6.819 852 2HD2 LEU 83 2HD2 LEU 83 -9.821 4.660 5.942 853 3HD2 LEU 83 3HD2 LEU 83 -8.786 3.540 5.073 854 QB LEU 83 QB LEU 83 -7.424 5.813 7.964 855 QD1 LEU 83 QD1 LEU 83 -6.110 4.027 6.145 856 QD2 LEU 83 QD2 LEU 83 -9.186 3.869 5.944 857 QQD LEU 83 QQD LEU 83 -7.648 3.948 6.045 858 H ASP 84 HN ASP 84 -9.365 9.007 7.325 859 HA ASP 84 HA ASP 84 -9.283 9.488 10.287 860 1HB ASP 84 2HB ASP 84 -8.431 11.398 8.078 861 2HB ASP 84 3HB ASP 84 -8.260 11.656 9.806 862 QB ASP 84 QB ASP 84 -8.345 11.527 8.942 863 H ALA 85 HN ALA 85 -10.466 10.732 7.221 864 HA ALA 85 HA ALA 85 -12.949 11.707 8.571 865 1HB ALA 85 3HB ALA 85 -11.537 13.600 7.779 866 2HB ALA 85 1HB ALA 85 -11.535 12.908 6.158 867 3HB ALA 85 2HB ALA 85 -13.036 13.503 6.858 868 QB ALA 85 QB ALA 85 -12.036 13.337 6.932 Start of MODEL 16 Raw file had 868 H/Q atoms Start of MODEL 16 1 H MET 1 HN MET 1 -8.343 -3.268 7.724 2 HA MET 1 HA MET 1 -8.718 -4.667 5.292 3 1HB MET 1 2HB MET 1 -7.336 -2.010 5.868 4 2HB MET 1 3HB MET 1 -7.815 -2.568 4.270 5 1HG MET 1 2HG MET 1 -10.130 -2.524 4.838 6 2HG MET 1 3HG MET 1 -9.792 -2.309 6.539 7 1HE MET 1 2HE MET 1 -9.685 -0.873 3.041 8 2HE MET 1 3HE MET 1 -9.358 0.842 3.259 9 3HE MET 1 1HE MET 1 -8.081 -0.334 3.558 10 QB MET 1 QB MET 1 -7.575 -2.289 5.069 11 QG MET 1 QG MET 1 -9.961 -2.417 5.688 12 QE MET 1 QE MET 1 -9.042 -0.122 3.286 13 H GLN 2 HN GLN 2 -7.102 -4.988 3.627 14 HA GLN 2 HA GLN 2 -4.381 -5.587 4.682 15 1HB GLN 2 2HB GLN 2 -5.851 -7.605 4.054 16 2HB GLN 2 3HB GLN 2 -5.817 -6.999 2.397 17 1HG GLN 2 2HG GLN 2 -3.186 -6.920 2.841 18 2HG GLN 2 3HG GLN 2 -3.608 -8.110 4.060 19 1HE2 GLN 2 2HE2 GLN 2 -4.010 -10.680 1.676 20 2HE2 GLN 2 1HE2 GLN 2 -3.855 -10.251 3.312 21 QB GLN 2 QB GLN 2 -5.834 -7.302 3.226 22 QG GLN 2 QG GLN 2 -3.397 -7.515 3.450 23 QE2 GLN 2 QE2 GLN 2 -3.932 -10.465 2.494 24 H THR 3 HN THR 3 -3.032 -4.109 3.785 25 HA THR 3 HA THR 3 -3.739 -3.014 1.113 26 HB THR 3 HB THR 3 -1.623 -2.140 3.136 27 HG1 THR 3 1HG THR 3 -3.274 -1.109 3.932 28 1HG2 THR 3 3HG2 THR 3 -2.726 -0.721 0.663 29 2HG2 THR 3 1HG2 THR 3 -1.532 -0.073 1.780 30 3HG2 THR 3 2HG2 THR 3 -1.121 -1.435 0.745 31 QG2 THR 3 QG2 THR 3 -1.793 -0.743 1.062 32 H VAL 4 HN VAL 4 -2.618 -3.574 -0.683 33 HA VAL 4 HA VAL 4 -0.142 -5.240 -0.334 34 HB VAL 4 HB VAL 4 -2.040 -5.386 -2.691 35 1HG1 VAL 4 3HG1 VAL 4 0.084 -7.252 -1.559 36 2HG1 VAL 4 1HG1 VAL 4 -0.906 -7.595 -2.973 37 3HG1 VAL 4 2HG1 VAL 4 0.245 -6.265 -3.008 38 1HG2 VAL 4 3HG2 VAL 4 -2.072 -7.124 -0.197 39 2HG2 VAL 4 1HG2 VAL 4 -3.344 -6.013 -0.688 40 3HG2 VAL 4 2HG2 VAL 4 -2.999 -7.436 -1.660 41 QG1 VAL 4 QG1 VAL 4 -0.193 -7.037 -2.513 42 QG2 VAL 4 QG2 VAL 4 -2.805 -6.858 -0.849 43 QQG VAL 4 QQG VAL 4 -1.499 -6.948 -1.681 44 H ILE 5 HN ILE 5 1.567 -4.416 -1.185 45 HA ILE 5 HA ILE 5 1.317 -2.144 -3.124 46 HB ILE 5 HB ILE 5 3.716 -2.916 -1.420 47 1HG1 ILE 5 2HG1 ILE 5 1.784 -2.304 0.051 48 2HG1 ILE 5 3HG1 ILE 5 3.109 -1.161 0.164 49 1HG2 ILE 5 1HG2 ILE 5 3.019 -0.405 -2.976 50 2HG2 ILE 5 2HG2 ILE 5 4.402 -0.544 -1.892 51 3HG2 ILE 5 3HG2 ILE 5 4.308 -1.548 -3.337 52 1HD1 ILE 5 1HD1 ILE 5 0.609 -0.768 -1.515 53 2HD1 ILE 5 2HD1 ILE 5 0.944 0.018 0.024 54 3HD1 ILE 5 3HD1 ILE 5 1.941 0.376 -1.378 55 QG1 ILE 5 QG1 ILE 5 2.447 -1.733 0.108 56 QG2 ILE 5 QG2 ILE 5 3.910 -0.833 -2.735 57 QD1 ILE 5 QD1 ILE 5 1.165 -0.125 -0.956 58 H PHE 6 HN PHE 6 1.561 -2.926 -5.161 59 HA PHE 6 HA PHE 6 3.258 -5.327 -5.639 60 1HB PHE 6 2HB PHE 6 1.229 -3.833 -7.336 61 2HB PHE 6 3HB PHE 6 2.315 -5.012 -8.040 62 HD1 PHE 6 2HD PHE 6 -0.152 -4.730 -5.198 63 HD2 PHE 6 1HD PHE 6 1.611 -7.234 -8.158 64 HE1 PHE 6 2HE PHE 6 -1.786 -6.486 -4.698 65 HE2 PHE 6 1HE PHE 6 -0.015 -8.997 -7.643 66 HZ PHE 6 HZ PHE 6 -1.714 -8.629 -5.900 67 QB PHE 6 QB PHE 6 1.772 -4.423 -7.688 68 QR PHE 6 QR PHE 6 -0.086 -6.862 -6.424 69 H GLY 7 HN GLY 7 5.327 -4.721 -5.835 70 1HA GLY 7 1HA GLY 7 6.000 -2.593 -7.798 71 2HA GLY 7 2HA GLY 7 6.679 -2.474 -6.176 72 QA GLY 7 QA GLY 7 6.340 -2.533 -6.987 73 NH1 ARG 8 NH1 ARG 8 9.685 0.892 -9.149 74 NH2 ARG 8 NH2 ARG 8 9.718 0.813 -11.454 75 H ARG 8 HN ARG 8 8.760 -2.649 -6.938 76 HA ARG 8 HA ARG 8 9.629 -5.385 -7.720 77 1HB ARG 8 2HB ARG 8 11.341 -4.367 -9.225 78 2HB ARG 8 3HB ARG 8 9.705 -3.995 -9.745 79 1HG ARG 8 2HG ARG 8 9.931 -1.804 -8.425 80 2HG ARG 8 3HG ARG 8 11.652 -2.160 -8.307 81 1HD ARG 8 2HD ARG 8 11.815 -2.257 -10.776 82 2HD ARG 8 3HD ARG 8 10.076 -1.969 -10.911 83 HE ARG 8 HE ARG 8 12.114 0.063 -10.155 84 1HH1 ARG 8 2HH1 ARG 8 10.144 0.621 -8.295 85 2HH1 ARG 8 1HH1 ARG 8 8.856 1.446 -9.106 86 1HH2 ARG 8 2HH2 ARG 8 10.154 0.436 -12.277 87 2HH2 ARG 8 1HH2 ARG 8 8.941 1.433 -11.551 88 QB ARG 8 QB ARG 8 10.523 -4.181 -9.485 89 QG ARG 8 QG ARG 8 10.792 -1.982 -8.366 90 QD ARG 8 QD ARG 8 10.945 -2.113 -10.843 91 QH1 ARG 8 QH1 ARG 8 9.500 1.034 -8.701 92 QH2 ARG 8 QH2 ARG 8 9.548 0.934 -11.914 93 H SER 9 HN SER 9 12.457 -4.769 -7.576 94 HA SER 9 HA SER 9 12.697 -3.762 -4.770 95 1HB SER 9 2HB SER 9 14.362 -5.657 -4.400 96 2HB SER 9 3HB SER 9 12.690 -6.203 -4.641 97 HG SER 9 HG SER 9 14.557 -5.821 -6.767 98 QB SER 9 QB SER 9 13.526 -5.930 -4.520 99 H GLY 10 HN GLY 10 14.513 -2.571 -4.338 100 1HA GLY 10 1HA GLY 10 16.896 -2.055 -4.852 101 2HA GLY 10 2HA GLY 10 16.508 -2.272 -6.553 102 QA GLY 10 QA GLY 10 16.702 -2.164 -5.702 103 H CYS 11 HN CYS 11 13.910 -0.700 -5.309 104 HA CYS 11 HA CYS 11 15.057 1.940 -6.083 105 1HB CYS 11 2HB CYS 11 12.479 2.391 -6.395 106 2HB CYS 11 3HB CYS 11 13.439 1.636 -7.634 107 QB CYS 11 QB CYS 11 12.959 2.013 -7.015 108 HA PRO 12 HA PRO 12 14.562 2.862 -1.584 109 1HB PRO 12 2HB PRO 12 15.519 5.346 -2.998 110 2HB PRO 12 3HB PRO 12 15.987 4.717 -1.411 111 1HG PRO 12 2HG PRO 12 17.561 4.349 -3.609 112 2HG PRO 12 3HG PRO 12 17.456 3.126 -2.335 113 1HD PRO 12 2HD PRO 12 16.338 3.060 -5.089 114 2HD PRO 12 3HD PRO 12 16.686 1.706 -3.995 115 QB PRO 12 QB PRO 12 15.753 5.031 -2.204 116 QG PRO 12 QG PRO 12 17.509 3.737 -2.972 117 QD PRO 12 QD PRO 12 16.512 2.383 -4.542 118 OH TYR 13 OH TYR 13 7.268 9.862 -4.182 119 H TYR 13 HN TYR 13 13.439 4.570 -4.497 120 HA TYR 13 HA TYR 13 11.490 6.135 -3.053 121 1HB TYR 13 2HB TYR 13 12.282 6.535 -5.498 122 2HB TYR 13 3HB TYR 13 11.082 5.321 -5.943 123 HD1 TYR 13 HD1 TYR 13 8.665 5.669 -5.053 124 HD2 TYR 13 HD2 TYR 13 11.589 8.768 -4.999 125 HE1 TYR 13 HE1 TYR 13 6.913 7.317 -4.627 126 HE2 TYR 13 HE2 TYR 13 9.828 10.409 -4.529 127 HH TYR 13 HH TYR 13 7.322 10.605 -4.785 128 QB TYR 13 QB TYR 13 11.682 5.928 -5.721 129 QR TYR 13 QR TYR 13 9.249 8.041 -4.802 130 H CYS 14 HN CYS 14 11.280 2.993 -4.764 131 HA CYS 14 HA CYS 14 8.485 2.565 -4.411 132 1HB CYS 14 2HB CYS 14 10.697 0.524 -4.202 133 2HB CYS 14 3HB CYS 14 9.005 0.174 -4.469 134 QB CYS 14 QB CYS 14 9.851 0.349 -4.335 135 H VAL 15 HN VAL 15 11.223 1.987 -2.299 136 HA VAL 15 HA VAL 15 9.972 0.760 -0.121 137 HB VAL 15 HB VAL 15 12.083 2.934 0.016 138 1HG1 VAL 15 3HG1 VAL 15 11.319 0.770 2.010 139 2HG1 VAL 15 1HG1 VAL 15 12.669 1.885 2.179 140 3HG1 VAL 15 2HG1 VAL 15 11.018 2.491 2.221 141 1HG2 VAL 15 1HG2 VAL 15 12.658 0.998 -1.434 142 2HG2 VAL 15 2HG2 VAL 15 13.630 0.994 0.031 143 3HG2 VAL 15 3HG2 VAL 15 12.258 -0.099 -0.120 144 QG1 VAL 15 QG1 VAL 15 11.668 1.716 2.137 145 QG2 VAL 15 QG2 VAL 15 12.849 0.631 -0.508 146 QQG VAL 15 QQG VAL 15 12.259 1.173 0.815 147 NH1 ARG 16 NH2 ARG 16 12.838 6.601 2.020 148 NH2 ARG 16 NH1 ARG 16 11.700 5.614 3.741 149 H ARG 16 HN ARG 16 9.852 4.222 -0.952 150 HA ARG 16 HA ARG 16 8.657 5.283 1.381 151 1HB ARG 16 2HB ARG 16 8.194 6.079 -1.493 152 2HB ARG 16 3HB ARG 16 7.696 7.032 -0.101 153 1HG ARG 16 2HG ARG 16 10.563 6.219 -0.747 154 2HG ARG 16 3HG ARG 16 9.885 7.824 -0.969 155 1HD ARG 16 2HD ARG 16 10.932 8.052 1.123 156 2HD ARG 16 3HD ARG 16 9.294 7.630 1.607 157 HE ARG 16 HE ARG 16 10.206 5.192 1.736 158 1HH1 ARG 16 2HH2 ARG 16 12.824 6.927 1.075 159 2HH1 ARG 16 1HH2 ARG 16 13.679 6.655 2.552 160 1HH2 ARG 16 1HH1 ARG 16 10.838 5.190 4.056 161 2HH2 ARG 16 2HH1 ARG 16 12.488 5.652 4.355 162 QB ARG 16 QB ARG 16 7.945 6.555 -0.797 163 QG ARG 16 QG ARG 16 10.224 7.021 -0.858 164 QD ARG 16 QD ARG 16 10.113 7.841 1.365 165 QH1 ARG 16 QH2 ARG 16 13.251 6.791 1.814 166 QH2 ARG 16 QH1 ARG 16 11.663 5.421 4.205 167 H ALA 17 HN ALA 17 7.202 3.125 -0.849 168 HA ALA 17 HA ALA 17 4.472 3.806 0.020 169 1HB ALA 17 2HB ALA 17 5.550 1.382 -1.469 170 2HB ALA 17 3HB ALA 17 3.845 1.752 -1.236 171 3HB ALA 17 1HB ALA 17 4.854 2.814 -2.211 172 QB ALA 17 QB ALA 17 4.750 1.982 -1.639 173 H LYS 18 HN LYS 18 6.931 1.354 0.642 174 HA LYS 18 HA LYS 18 5.431 -0.249 2.455 175 1HB LYS 18 2HB LYS 18 7.458 -1.219 1.756 176 2HB LYS 18 3HB LYS 18 8.372 0.255 2.001 177 1HG LYS 18 2HG LYS 18 7.137 -0.991 4.427 178 2HG LYS 18 3HG LYS 18 8.511 -1.820 3.706 179 1HD LYS 18 2HD LYS 18 9.913 0.140 3.915 180 2HD LYS 18 3HD LYS 18 8.569 1.139 4.395 181 1HE LYS 18 2HE LYS 18 8.283 -0.611 6.339 182 2HE LYS 18 3HE LYS 18 9.965 -0.989 5.982 183 1HZ LYS 18 2HZ LYS 18 9.725 1.815 6.094 184 2HZ LYS 18 3HZ LYS 18 8.912 1.141 7.445 185 3HZ LYS 18 1HZ LYS 18 10.539 0.771 7.174 186 QB LYS 18 QB LYS 18 7.915 -0.482 1.879 187 QG LYS 18 QG LYS 18 7.824 -1.405 4.066 188 QD LYS 18 QD LYS 18 9.241 0.639 4.155 189 QE LYS 18 QE LYS 18 9.124 -0.800 6.160 190 QZ LYS 18 QZ LYS 18 9.725 1.242 6.904 191 H ASP 19 HN ASP 19 7.541 2.557 2.992 192 HA ASP 19 HA ASP 19 7.349 2.645 5.792 193 1HB ASP 19 2HB ASP 19 7.373 5.028 3.914 194 2HB ASP 19 3HB ASP 19 7.873 5.014 5.602 195 QB ASP 19 QB ASP 19 7.623 5.021 4.758 196 H LEU 20 HN LEU 20 5.113 3.996 3.413 197 HA LEU 20 HA LEU 20 3.381 5.116 5.445 198 1HB LEU 20 2HB LEU 20 3.463 5.954 3.086 199 2HB LEU 20 3HB LEU 20 2.736 4.449 2.548 200 HG LEU 20 HG LEU 20 0.716 4.922 3.916 201 1HD1 LEU 20 1HD1 LEU 20 2.117 7.553 4.565 202 2HD1 LEU 20 2HD1 LEU 20 0.451 7.161 4.968 203 3HD1 LEU 20 3HD1 LEU 20 1.759 6.271 5.716 204 1HD2 LEU 20 1HD2 LEU 20 1.557 7.223 2.109 205 2HD2 LEU 20 2HD2 LEU 20 0.806 5.726 1.578 206 3HD2 LEU 20 3HD2 LEU 20 -0.101 6.856 2.577 207 QB LEU 20 QB LEU 20 3.099 5.201 2.817 208 QD1 LEU 20 QD1 LEU 20 1.442 6.995 5.083 209 QD2 LEU 20 QD2 LEU 20 0.754 6.601 2.088 210 QQD LEU 20 QQD LEU 20 1.098 6.798 3.585 211 H ALA 21 HN ALA 21 2.989 2.290 3.266 212 HA ALA 21 HA ALA 21 0.578 1.300 4.386 213 1HB ALA 21 2HB ALA 21 1.648 0.252 2.391 214 2HB ALA 21 3HB ALA 21 2.940 -0.366 3.415 215 3HB ALA 21 1HB ALA 21 1.294 -0.949 3.623 216 QB ALA 21 QB ALA 21 1.961 -0.355 3.143 217 H GLU 22 HN GLU 22 3.914 0.799 5.414 218 HA GLU 22 HA GLU 22 3.278 -0.904 7.619 219 1HB GLU 22 2HB GLU 22 5.598 -0.599 6.671 220 2HB GLU 22 3HB GLU 22 5.632 0.992 7.422 221 1HG GLU 22 2HG GLU 22 4.881 -0.400 9.592 222 2HG GLU 22 3HG GLU 22 5.637 -1.722 8.720 223 QB GLU 22 QB GLU 22 5.615 0.197 7.046 224 QG GLU 22 QG GLU 22 5.259 -1.061 9.156 225 H LYS 23 HN LYS 23 4.321 2.502 7.699 226 HA LYS 23 HA LYS 23 3.897 3.181 10.304 227 1HB LYS 23 2HB LYS 23 4.615 4.832 8.684 228 2HB LYS 23 3HB LYS 23 3.105 4.698 7.803 229 1HG LYS 23 2HG LYS 23 3.021 6.728 9.089 230 2HG LYS 23 3HG LYS 23 1.907 5.596 9.823 231 1HD LYS 23 2HD LYS 23 3.844 4.950 11.403 232 2HD LYS 23 3HD LYS 23 4.662 6.393 10.810 233 1HE LYS 23 2HE LYS 23 1.929 6.270 12.130 234 2HE LYS 23 3HE LYS 23 3.396 6.925 12.851 235 1HZ LYS 23 3HZ LYS 23 3.068 8.201 10.407 236 2HZ LYS 23 1HZ LYS 23 1.534 8.166 11.119 237 3HZ LYS 23 2HZ LYS 23 2.856 8.879 11.950 238 QB LYS 23 QB LYS 23 3.860 4.765 8.243 239 QG LYS 23 QG LYS 23 2.464 6.162 9.456 240 QD LYS 23 QD LYS 23 4.253 5.672 11.107 241 QE LYS 23 QE LYS 23 2.662 6.597 12.490 242 QZ LYS 23 QZ LYS 23 2.486 8.415 11.159 243 H LEU 24 HN LEU 24 1.360 3.106 7.868 244 HA LEU 24 HA LEU 24 -0.813 3.942 9.459 245 1HB LEU 24 2HB LEU 24 -0.651 1.864 7.222 246 2HB LEU 24 3HB LEU 24 -2.172 2.517 7.814 247 HG LEU 24 HG LEU 24 0.112 4.194 6.702 248 1HD1 LEU 24 1HD1 LEU 24 -2.538 3.407 5.454 249 2HD1 LEU 24 2HD1 LEU 24 -1.368 4.517 4.757 250 3HD1 LEU 24 3HD1 LEU 24 -0.961 2.817 4.947 251 1HD2 LEU 24 3HD2 LEU 24 -2.742 4.890 7.446 252 2HD2 LEU 24 1HD2 LEU 24 -1.308 5.368 8.338 253 3HD2 LEU 24 2HD2 LEU 24 -1.568 5.984 6.731 254 QB LEU 24 QB LEU 24 -1.411 2.191 7.518 255 QD1 LEU 24 QD1 LEU 24 -1.622 3.580 5.053 256 QD2 LEU 24 QD2 LEU 24 -1.873 5.414 7.505 257 QQD LEU 24 QQD LEU 24 -1.748 4.497 6.279 258 H SER 25 HN SER 25 0.577 0.712 9.258 259 HA SER 25 HA SER 25 -1.373 -0.748 10.650 260 1HB SER 25 2HB SER 25 1.637 -1.064 10.910 261 2HB SER 25 3HB SER 25 0.418 -2.320 11.210 262 HG SER 25 HG SER 25 1.293 -1.193 8.815 263 QB SER 25 QB SER 25 1.027 -1.692 11.060 264 H ASN 26 HN ASN 26 0.423 1.833 11.811 265 HA ASN 26 HA ASN 26 -0.183 1.134 14.651 266 1HB ASN 26 2HB ASN 26 1.983 2.828 13.382 267 2HB ASN 26 3HB ASN 26 1.551 3.012 15.082 268 1HD2 ASN 26 2HD2 ASN 26 3.658 -0.239 13.905 269 2HD2 ASN 26 1HD2 ASN 26 3.075 0.868 12.758 270 QB ASN 26 QB ASN 26 1.767 2.920 14.232 271 QD2 ASN 26 QD2 ASN 26 3.367 0.315 13.332 272 H GLU 27 HN GLU 27 -0.225 3.769 12.246 273 HA GLU 27 HA GLU 27 -1.614 5.532 14.131 274 1HB GLU 27 2HB GLU 27 -1.712 7.107 12.192 275 2HB GLU 27 3HB GLU 27 -0.095 6.583 12.596 276 1HG GLU 27 2HG GLU 27 0.022 5.223 10.667 277 2HG GLU 27 3HG GLU 27 -1.724 5.337 10.413 278 QB GLU 27 QB GLU 27 -0.903 6.845 12.394 279 QG GLU 27 QG GLU 27 -0.851 5.280 10.540 280 NH1 ARG 28 NH2 ARG 28 -6.750 7.363 9.093 281 NH2 ARG 28 NH1 ARG 28 -4.683 8.359 9.085 282 H ARG 28 HN ARG 28 -2.672 3.113 12.046 283 HA ARG 28 HA ARG 28 -5.366 4.374 11.865 284 1HB ARG 28 2HB ARG 28 -3.831 2.558 10.133 285 2HB ARG 28 3HB ARG 28 -5.486 2.026 10.387 286 1HG ARG 28 2HG ARG 28 -5.241 3.570 8.413 287 2HG ARG 28 3HG ARG 28 -6.360 4.168 9.632 288 1HD ARG 28 2HD ARG 28 -4.628 5.658 10.544 289 2HD ARG 28 3HD ARG 28 -3.438 5.007 9.420 290 HE ARG 28 HE ARG 28 -4.801 6.035 7.578 291 1HH1 ARG 28 2HH2 ARG 28 -7.295 6.528 9.015 292 2HH1 ARG 28 1HH2 ARG 28 -7.207 8.233 9.316 293 1HH2 ARG 28 2HH1 ARG 28 -3.679 8.246 9.032 294 2HH2 ARG 28 1HH1 ARG 28 -5.084 9.271 9.268 295 QB ARG 28 QB ARG 28 -4.658 2.292 10.260 296 QG ARG 28 QG ARG 28 -5.801 3.869 9.023 297 QD ARG 28 QD ARG 28 -4.033 5.333 9.982 298 QH1 ARG 28 QH2 ARG 28 -7.251 7.380 9.165 299 QH2 ARG 28 QH1 ARG 28 -4.381 8.758 9.150 300 H ASP 29 HN ASP 29 -7.052 2.484 11.712 301 HA ASP 29 HA ASP 29 -7.310 1.543 14.429 302 1HB ASP 29 2HB ASP 29 -9.416 0.425 13.286 303 2HB ASP 29 3HB ASP 29 -9.335 2.176 13.419 304 QB ASP 29 QB ASP 29 -9.376 1.301 13.352 305 H ASP 30 HN ASP 30 -7.421 -0.371 11.422 306 HA ASP 30 HA ASP 30 -6.079 -2.617 12.905 307 1HB ASP 30 2HB ASP 30 -8.215 -3.456 12.376 308 2HB ASP 30 3HB ASP 30 -8.281 -2.600 10.845 309 QB ASP 30 QB ASP 30 -8.248 -3.028 11.610 310 H PHE 31 HN PHE 31 -6.514 -1.068 9.845 311 HA PHE 31 HA PHE 31 -5.288 -1.585 7.801 312 1HB PHE 31 2HB PHE 31 -5.073 0.748 8.779 313 2HB PHE 31 3HB PHE 31 -3.510 0.251 9.428 314 HD1 PHE 31 1HD PHE 31 -1.733 -0.626 7.752 315 HD2 PHE 31 2HD PHE 31 -5.276 1.406 6.510 316 HE1 PHE 31 1HE PHE 31 -0.797 -0.355 5.509 317 HE2 PHE 31 2HE PHE 31 -4.316 1.689 4.268 318 HZ PHE 31 HZ PHE 31 -2.094 0.774 3.760 319 QB PHE 31 QB PHE 31 -4.292 0.500 9.104 320 QR PHE 31 QR PHE 31 -3.031 0.529 6.010 321 H GLN 32 HN GLN 32 -4.446 -3.617 7.538 322 HA GLN 32 HA GLN 32 -1.666 -4.021 8.574 323 1HB GLN 32 2HB GLN 32 -3.763 -6.070 7.717 324 2HB GLN 32 3HB GLN 32 -2.104 -6.468 8.166 325 1HG GLN 32 2HG GLN 32 -2.523 -5.355 10.406 326 2HG GLN 32 3HG GLN 32 -4.215 -5.191 9.948 327 1HE2 GLN 32 2HE2 GLN 32 -4.801 -8.366 11.326 328 2HE2 GLN 32 1HE2 GLN 32 -5.258 -6.727 11.223 329 QB GLN 32 QB GLN 32 -2.933 -6.269 7.942 330 QG GLN 32 QG GLN 32 -3.369 -5.273 10.177 331 QE2 GLN 32 QE2 GLN 32 -5.030 -7.546 11.275 332 OH TYR 33 OH TYR 33 5.337 -3.249 7.000 333 H TYR 33 HN TYR 33 -0.207 -5.030 6.901 334 HA TYR 33 HA TYR 33 -1.196 -4.811 4.132 335 1HB TYR 33 2HB TYR 33 0.352 -3.121 3.440 336 2HB TYR 33 3HB TYR 33 -0.401 -2.492 4.903 337 HD1 TYR 33 HD1 TYR 33 0.818 -3.003 7.159 338 HD2 TYR 33 HD2 TYR 33 2.701 -3.296 3.345 339 HE1 TYR 33 HE1 TYR 33 3.011 -3.061 8.246 340 HE2 TYR 33 HE2 TYR 33 4.893 -3.305 4.436 341 HH TYR 33 HH TYR 33 5.317 -3.934 7.675 342 QB TYR 33 QB TYR 33 -0.025 -2.807 4.171 343 QR TYR 33 QR TYR 33 2.856 -3.166 5.797 344 H GLN 34 HN GLN 34 0.371 -5.470 2.590 345 HA GLN 34 HA GLN 34 2.696 -7.001 3.594 346 1HB GLN 34 2HB GLN 34 0.629 -8.521 3.424 347 2HB GLN 34 3HB GLN 34 0.657 -8.225 1.692 348 1HG GLN 34 2HG GLN 34 1.845 -10.361 2.432 349 2HG GLN 34 3HG GLN 34 2.829 -9.266 1.467 350 1HE2 GLN 34 2HE2 GLN 34 3.712 -9.719 5.444 351 2HE2 GLN 34 1HE2 GLN 34 2.209 -10.250 4.864 352 QB GLN 34 QB GLN 34 0.643 -8.373 2.558 353 QG GLN 34 QG GLN 34 2.337 -9.814 1.949 354 QE2 GLN 34 QE2 GLN 34 2.961 -9.985 5.154 355 OH TYR 35 OH TYR 35 8.058 -3.238 -4.316 356 H TYR 35 HN TYR 35 4.261 -7.412 1.842 357 HA TYR 35 HA TYR 35 3.845 -5.422 -0.372 358 1HB TYR 35 2HB TYR 35 5.823 -5.038 1.139 359 2HB TYR 35 3HB TYR 35 6.476 -6.583 0.609 360 HD1 TYR 35 HD1 TYR 35 7.065 -6.902 -1.837 361 HD2 TYR 35 HD2 TYR 35 5.967 -3.090 -0.297 362 HE1 TYR 35 HE1 TYR 35 7.948 -5.829 -3.857 363 HE2 TYR 35 HE2 TYR 35 6.907 -2.018 -2.298 364 HH TYR 35 HH TYR 35 8.971 -3.569 -4.444 365 QB TYR 35 QB TYR 35 6.150 -5.810 0.874 366 QR TYR 35 QR TYR 35 6.972 -4.460 -2.072 367 H VAL 36 HN VAL 36 4.260 -6.000 -2.467 368 HA VAL 36 HA VAL 36 4.719 -8.889 -3.005 369 HB VAL 36 HB VAL 36 2.458 -7.052 -3.698 370 1HG1 VAL 36 1HG1 VAL 36 3.465 -9.188 -5.623 371 2HG1 VAL 36 2HG1 VAL 36 1.897 -8.402 -5.710 372 3HG1 VAL 36 3HG1 VAL 36 3.362 -7.460 -5.946 373 1HG2 VAL 36 2HG2 VAL 36 2.728 -10.059 -3.326 374 2HG2 VAL 36 3HG2 VAL 36 2.211 -8.911 -2.097 375 3HG2 VAL 36 1HG2 VAL 36 1.210 -9.191 -3.517 376 QG1 VAL 36 QG1 VAL 36 2.908 -8.350 -5.759 377 QG2 VAL 36 QG2 VAL 36 2.050 -9.387 -2.980 378 QQG VAL 36 QQG VAL 36 2.479 -8.868 -4.370 379 H ASP 37 HN ASP 37 6.358 -9.176 -4.375 380 HA ASP 37 HA ASP 37 7.362 -6.858 -5.989 381 1HB ASP 37 2HB ASP 37 8.904 -7.862 -4.233 382 2HB ASP 37 3HB ASP 37 8.844 -9.371 -5.116 383 QB ASP 37 QB ASP 37 8.874 -8.616 -4.675 384 H ILE 38 HN ILE 38 7.023 -7.042 -8.107 385 HA ILE 38 HA ILE 38 5.667 -9.175 -9.324 386 HB ILE 38 HB ILE 38 6.398 -8.215 -11.489 387 1HG1 ILE 38 2HG1 ILE 38 8.064 -6.353 -9.754 388 2HG1 ILE 38 3HG1 ILE 38 8.708 -7.671 -10.715 389 1HG2 ILE 38 3HG2 ILE 38 4.507 -7.260 -10.208 390 2HG2 ILE 38 1HG2 ILE 38 5.612 -6.192 -9.355 391 3HG2 ILE 38 2HG2 ILE 38 5.356 -5.996 -11.087 392 1HD1 ILE 38 1HD1 ILE 38 7.783 -6.624 -12.781 393 2HD1 ILE 38 2HD1 ILE 38 7.139 -5.301 -11.810 394 3HD1 ILE 38 3HD1 ILE 38 8.878 -5.524 -11.946 395 QG1 ILE 38 QG1 ILE 38 8.386 -7.012 -10.235 396 QG2 ILE 38 QG2 ILE 38 5.158 -6.483 -10.216 397 QD1 ILE 38 QD1 ILE 38 7.934 -5.816 -12.179 398 NH1 ARG 39 NH2 ARG 39 12.823 -8.146 -7.535 399 NH2 ARG 39 NH1 ARG 39 13.130 -9.272 -5.604 400 H ARG 39 HN ARG 39 9.095 -8.839 -8.748 401 HA ARG 39 HA ARG 39 9.786 -11.070 -10.532 402 1HB ARG 39 2HB ARG 39 11.298 -9.202 -10.355 403 2HB ARG 39 3HB ARG 39 11.290 -9.296 -8.608 404 1HG ARG 39 2HG ARG 39 12.250 -11.698 -10.127 405 2HG ARG 39 3HG ARG 39 13.289 -10.287 -10.051 406 1HD ARG 39 2HD ARG 39 12.055 -11.320 -7.500 407 2HD ARG 39 3HD ARG 39 13.464 -12.135 -8.162 408 HE ARG 39 HE ARG 39 14.775 -10.170 -7.679 409 1HH1 ARG 39 2HH2 ARG 39 12.939 -8.104 -8.522 410 2HH1 ARG 39 1HH2 ARG 39 12.367 -7.392 -7.039 411 1HH2 ARG 39 2HH1 ARG 39 13.500 -10.063 -5.122 412 2HH2 ARG 39 1HH1 ARG 39 12.650 -8.543 -5.096 413 QB ARG 39 QB ARG 39 11.294 -9.249 -9.481 414 QG ARG 39 QG ARG 39 12.769 -10.992 -10.089 415 QD ARG 39 QD ARG 39 12.759 -11.728 -7.831 416 QH1 ARG 39 QH2 ARG 39 12.653 -7.748 -7.781 417 QH2 ARG 39 QH1 ARG 39 13.075 -9.303 -5.109 418 H ALA 40 HN ALA 40 8.530 -10.939 -7.431 419 HA ALA 40 HA ALA 40 9.994 -13.399 -6.567 420 1HB ALA 40 2HB ALA 40 9.963 -11.515 -4.952 421 2HB ALA 40 3HB ALA 40 8.200 -11.525 -4.980 422 3HB ALA 40 1HB ALA 40 9.077 -12.904 -4.326 423 QB ALA 40 QB ALA 40 9.080 -11.981 -4.753 424 H GLU 41 HN GLU 41 6.769 -12.043 -7.050 425 HA GLU 41 HA GLU 41 5.477 -14.612 -6.455 426 1HB GLU 41 2HB GLU 41 4.253 -12.140 -7.736 427 2HB GLU 41 3HB GLU 41 3.382 -13.490 -7.027 428 1HG GLU 41 2HG GLU 41 4.850 -12.850 -4.879 429 2HG GLU 41 3HG GLU 41 4.879 -11.271 -5.661 430 QB GLU 41 QB GLU 41 3.817 -12.815 -7.381 431 QG GLU 41 QG GLU 41 4.864 -12.061 -5.270 432 H GLY 42 HN GLY 42 6.390 -12.789 -9.312 433 1HA GLY 42 1HA GLY 42 6.965 -13.999 -11.374 434 2HA GLY 42 2HA GLY 42 5.740 -15.199 -10.963 435 QA GLY 42 QA GLY 42 6.353 -14.599 -11.169 436 H ILE 43 HN ILE 43 5.827 -11.660 -11.202 437 HA ILE 43 HA ILE 43 3.252 -11.801 -12.727 438 HB ILE 43 HB ILE 43 4.419 -9.316 -11.437 439 1HG1 ILE 43 2HG1 ILE 43 2.717 -11.514 -10.186 440 2HG1 ILE 43 3HG1 ILE 43 4.307 -10.987 -9.662 441 1HG2 ILE 43 2HG2 ILE 43 2.536 -9.093 -13.069 442 2HG2 ILE 43 3HG2 ILE 43 1.573 -10.190 -12.083 443 3HG2 ILE 43 1HG2 ILE 43 2.053 -8.621 -11.449 444 1HD1 ILE 43 2HD1 ILE 43 3.368 -8.752 -9.084 445 2HD1 ILE 43 3HD1 ILE 43 1.765 -9.325 -9.539 446 3HD1 ILE 43 1HD1 ILE 43 2.607 -10.050 -8.173 447 QG1 ILE 43 QG1 ILE 43 3.512 -11.251 -9.924 448 QG2 ILE 43 QG2 ILE 43 2.054 -9.301 -12.200 449 QD1 ILE 43 QD1 ILE 43 2.580 -9.375 -8.932 450 H THR 44 HN THR 44 3.163 -10.937 -14.828 451 HA THR 44 HA THR 44 5.802 -9.899 -15.835 452 HB THR 44 HB THR 44 5.100 -10.944 -18.058 453 HG1 THR 44 1HG THR 44 3.050 -11.439 -18.008 454 1HG2 THR 44 1HG2 THR 44 6.545 -12.209 -16.367 455 2HG2 THR 44 2HG2 THR 44 5.061 -12.858 -15.671 456 3HG2 THR 44 3HG2 THR 44 5.508 -13.263 -17.325 457 QG2 THR 44 QG2 THR 44 5.705 -12.777 -16.454 458 H LYS 45 HN LYS 45 4.280 -7.943 -14.916 459 HA LYS 45 HA LYS 45 3.408 -5.868 -15.470 460 1HB LYS 45 2HB LYS 45 4.257 -6.703 -18.257 461 2HB LYS 45 3HB LYS 45 3.722 -5.095 -17.807 462 1HG LYS 45 2HG LYS 45 5.543 -4.844 -16.224 463 2HG LYS 45 3HG LYS 45 6.041 -6.515 -16.480 464 1HD LYS 45 2HD LYS 45 6.692 -6.052 -18.763 465 2HD LYS 45 3HD LYS 45 5.922 -4.472 -18.723 466 1HE LYS 45 2HE LYS 45 8.421 -4.358 -18.468 467 2HE LYS 45 3HE LYS 45 7.539 -3.640 -17.124 468 1HZ LYS 45 2HZ LYS 45 7.893 -6.336 -16.529 469 2HZ LYS 45 3HZ LYS 45 9.394 -5.762 -17.073 470 3HZ LYS 45 1HZ LYS 45 8.618 -5.000 -15.768 471 QB LYS 45 QB LYS 45 3.989 -5.899 -18.032 472 QG LYS 45 QG LYS 45 5.792 -5.679 -16.352 473 QD LYS 45 QD LYS 45 6.307 -5.262 -18.743 474 QE LYS 45 QE LYS 45 7.980 -3.999 -17.796 475 QZ LYS 45 QZ LYS 45 8.635 -5.699 -16.457 476 H GLU 46 HN GLU 46 2.368 -7.823 -18.295 477 HA GLU 46 HA GLU 46 -0.049 -6.589 -18.773 478 1HB GLU 46 2HB GLU 46 0.407 -9.592 -18.868 479 2HB GLU 46 3HB GLU 46 -0.833 -8.706 -19.747 480 1HG GLU 46 2HG GLU 46 2.167 -8.594 -20.145 481 2HG GLU 46 3HG GLU 46 0.925 -8.971 -21.332 482 QB GLU 46 QB GLU 46 -0.213 -9.149 -19.308 483 QG GLU 46 QG GLU 46 1.546 -8.782 -20.738 484 H ASP 47 HN ASP 47 0.291 -9.320 -16.454 485 HA ASP 47 HA ASP 47 -2.399 -9.399 -15.635 486 1HB ASP 47 2HB ASP 47 -0.746 -11.043 -14.774 487 2HB ASP 47 3HB ASP 47 -0.007 -9.777 -13.795 488 QB ASP 47 QB ASP 47 -0.377 -10.410 -14.284 489 H LEU 48 HN LEU 48 0.161 -7.198 -14.615 490 HA LEU 48 HA LEU 48 -1.471 -5.920 -12.574 491 1HB LEU 48 2HB LEU 48 1.078 -5.066 -13.991 492 2HB LEU 48 3HB LEU 48 0.312 -4.102 -12.736 493 HG LEU 48 HG LEU 48 1.038 -7.017 -12.311 494 1HD1 LEU 48 1HD1 LEU 48 2.678 -4.544 -11.649 495 2HD1 LEU 48 2HD1 LEU 48 3.058 -6.182 -11.141 496 3HD1 LEU 48 3HD1 LEU 48 3.106 -5.761 -12.849 497 1HD2 LEU 48 1HD2 LEU 48 0.499 -4.694 -10.422 498 2HD2 LEU 48 2HD2 LEU 48 -0.604 -6.029 -10.740 499 3HD2 LEU 48 3HD2 LEU 48 0.924 -6.326 -9.929 500 QB LEU 48 QB LEU 48 0.695 -4.584 -13.364 501 QD1 LEU 48 QD1 LEU 48 2.947 -5.495 -11.880 502 QD2 LEU 48 QD2 LEU 48 0.273 -5.683 -10.364 503 QQD LEU 48 QQD LEU 48 1.610 -5.589 -11.122 504 H GLN 49 HN GLN 49 -0.440 -4.988 -15.860 505 HA GLN 49 HA GLN 49 -1.779 -2.604 -16.260 506 1HB GLN 49 2HB GLN 49 -0.513 -3.621 -18.042 507 2HB GLN 49 3HB GLN 49 -1.546 -5.027 -18.079 508 1HG GLN 49 2HG GLN 49 -2.696 -2.300 -18.627 509 2HG GLN 49 3HG GLN 49 -1.826 -3.163 -19.879 510 1HE2 GLN 49 2HE2 GLN 49 -4.557 -5.852 -19.269 511 2HE2 GLN 49 1HE2 GLN 49 -3.028 -5.807 -18.540 512 QB GLN 49 QB GLN 49 -1.029 -4.324 -18.060 513 QG GLN 49 QG GLN 49 -2.261 -2.731 -19.253 514 QE2 GLN 49 QE2 GLN 49 -3.793 -5.830 -18.905 515 H GLN 50 HN GLN 50 -3.068 -5.829 -16.410 516 HA GLN 50 HA GLN 50 -5.825 -5.205 -16.833 517 1HB GLN 50 2HB GLN 50 -5.104 -7.376 -17.394 518 2HB GLN 50 3HB GLN 50 -4.195 -7.571 -15.916 519 1HG GLN 50 2HG GLN 50 -6.898 -7.274 -15.085 520 2HG GLN 50 3HG GLN 50 -6.933 -8.315 -16.496 521 1HE2 GLN 50 2HE2 GLN 50 -4.492 -10.609 -14.828 522 2HE2 GLN 50 1HE2 GLN 50 -4.562 -9.738 -16.287 523 QB GLN 50 QB GLN 50 -4.649 -7.474 -16.655 524 QG GLN 50 QG GLN 50 -6.915 -7.794 -15.791 525 QE2 GLN 50 QE2 GLN 50 -4.527 -10.174 -15.558 526 H LYS 51 HN LYS 51 -4.154 -6.345 -13.918 527 HA LYS 51 HA LYS 51 -6.144 -6.294 -12.040 528 1HB LYS 51 2HB LYS 51 -3.515 -6.748 -11.965 529 2HB LYS 51 3HB LYS 51 -3.475 -5.113 -11.338 530 1HG LYS 51 2HG LYS 51 -3.630 -6.560 -9.453 531 2HG LYS 51 3HG LYS 51 -5.203 -5.800 -9.644 532 1HD LYS 51 2HD LYS 51 -5.447 -8.211 -9.150 533 2HD LYS 51 3HD LYS 51 -6.072 -7.849 -10.745 534 1HE LYS 51 2HE LYS 51 -3.189 -8.688 -10.446 535 2HE LYS 51 3HE LYS 51 -4.446 -9.914 -10.376 536 1HZ LYS 51 1HZ LYS 51 -5.062 -8.341 -12.565 537 2HZ LYS 51 2HZ LYS 51 -3.370 -8.594 -12.618 538 3HZ LYS 51 3HZ LYS 51 -4.418 -9.914 -12.571 539 QB LYS 51 QB LYS 51 -3.495 -5.930 -11.651 540 QG LYS 51 QG LYS 51 -4.416 -6.180 -9.549 541 QD LYS 51 QD LYS 51 -5.759 -8.030 -9.947 542 QE LYS 51 QE LYS 51 -3.818 -9.301 -10.411 543 QZ LYS 51 QZ LYS 51 -4.283 -8.950 -12.585 544 H ALA 52 HN ALA 52 -4.345 -3.513 -13.218 545 HA ALA 52 HA ALA 52 -6.052 -1.704 -11.555 546 1HB ALA 52 1HB ALA 52 -3.597 -1.351 -11.438 547 2HB ALA 52 2HB ALA 52 -3.552 -1.089 -13.174 548 3HB ALA 52 3HB ALA 52 -4.404 0.048 -12.133 549 QB ALA 52 QB ALA 52 -3.851 -0.798 -12.248 550 H GLY 53 HN GLY 53 -5.909 -2.906 -14.711 551 1HA GLY 53 1HA GLY 53 -6.934 -2.196 -16.727 552 2HA GLY 53 2HA GLY 53 -8.105 -1.396 -15.675 553 QA GLY 53 QA GLY 53 -7.519 -1.796 -16.201 554 H LYS 54 HN LYS 54 -4.671 -0.940 -16.269 555 HA LYS 54 HA LYS 54 -5.203 1.940 -16.946 556 1HB LYS 54 2HB LYS 54 -3.007 0.707 -15.262 557 2HB LYS 54 3HB LYS 54 -2.842 2.315 -15.949 558 1HG LYS 54 2HG LYS 54 -5.131 1.457 -14.156 559 2HG LYS 54 3HG LYS 54 -3.701 2.311 -13.594 560 1HD LYS 54 2HD LYS 54 -4.322 4.037 -15.497 561 2HD LYS 54 3HD LYS 54 -5.917 3.296 -15.394 562 1HE LYS 54 2HE LYS 54 -5.869 5.191 -13.868 563 2HE LYS 54 3HE LYS 54 -5.889 3.713 -12.909 564 1HZ LYS 54 1HZ LYS 54 -3.214 4.381 -13.524 565 2HZ LYS 54 2HZ LYS 54 -3.981 5.749 -12.846 566 3HZ LYS 54 3HZ LYS 54 -3.931 4.270 -12.000 567 QB LYS 54 QB LYS 54 -2.925 1.511 -15.606 568 QG LYS 54 QG LYS 54 -4.416 1.884 -13.875 569 QD LYS 54 QD LYS 54 -5.119 3.666 -15.445 570 QE LYS 54 QE LYS 54 -5.879 4.452 -13.389 571 QZ LYS 54 QZ LYS 54 -3.709 4.800 -12.790 572 HA PRO 55 HA PRO 55 -1.952 1.230 -20.066 573 1HB PRO 55 2HB PRO 55 -1.859 4.160 -20.336 574 2HB PRO 55 3HB PRO 55 -2.252 2.950 -21.561 575 1HG PRO 55 2HG PRO 55 -4.122 4.673 -20.485 576 2HG PRO 55 3HG PRO 55 -4.533 3.086 -21.143 577 1HD PRO 55 2HD PRO 55 -4.242 3.912 -18.259 578 2HD PRO 55 3HD PRO 55 -5.358 2.735 -18.989 579 QB PRO 55 QB PRO 55 -2.056 3.555 -20.948 580 QG PRO 55 QG PRO 55 -4.327 3.880 -20.814 581 QD PRO 55 QD PRO 55 -4.800 3.324 -18.624 582 H VAL 56 HN VAL 56 -1.643 1.349 -17.254 583 HA VAL 56 HA VAL 56 -0.072 1.703 -15.578 584 HB VAL 56 HB VAL 56 1.765 2.215 -17.888 585 1HG1 VAL 56 2HG1 VAL 56 2.305 1.170 -15.091 586 2HG1 VAL 56 3HG1 VAL 56 3.503 1.295 -16.373 587 3HG1 VAL 56 1HG1 VAL 56 2.777 2.751 -15.707 588 1HG2 VAL 56 1HG2 VAL 56 0.961 -0.413 -16.588 589 2HG2 VAL 56 2HG2 VAL 56 0.512 0.106 -18.210 590 3HG2 VAL 56 3HG2 VAL 56 2.196 -0.233 -17.833 591 QG1 VAL 56 QG1 VAL 56 2.862 1.739 -15.724 592 QG2 VAL 56 QG2 VAL 56 1.223 -0.180 -17.543 593 QQG VAL 56 QQG VAL 56 2.042 0.779 -16.634 594 H GLU 57 HN GLU 57 0.982 3.225 -14.343 595 HA GLU 57 HA GLU 57 1.035 6.034 -15.349 596 1HB GLU 57 2HB GLU 57 0.348 6.682 -12.957 597 2HB GLU 57 3HB GLU 57 -0.912 5.959 -13.941 598 1HG GLU 57 2HG GLU 57 0.714 4.001 -12.388 599 2HG GLU 57 3HG GLU 57 -0.272 5.090 -11.419 600 QB GLU 57 QB GLU 57 -0.282 6.320 -13.449 601 QG GLU 57 QG GLU 57 0.221 4.545 -11.903 602 H THR 58 HN THR 58 1.742 5.490 -12.074 603 HA THR 58 HA THR 58 4.672 5.435 -12.659 604 HB THR 58 HB THR 58 3.165 6.913 -10.430 605 HG1 THR 58 1HG THR 58 3.585 7.456 -12.927 606 1HG2 THR 58 3HG2 THR 58 6.136 6.907 -11.176 607 2HG2 THR 58 1HG2 THR 58 5.385 7.950 -9.973 608 3HG2 THR 58 2HG2 THR 58 5.482 6.220 -9.687 609 QG2 THR 58 QG2 THR 58 5.668 7.025 -10.279 610 H VAL 59 HN VAL 59 5.801 4.675 -10.519 611 HA VAL 59 HA VAL 59 4.328 2.267 -9.543 612 HB VAL 59 HB VAL 59 6.768 1.473 -9.043 613 1HG1 VAL 59 3HG1 VAL 59 5.331 0.589 -10.882 614 2HG1 VAL 59 1HG1 VAL 59 5.878 1.895 -11.925 615 3HG1 VAL 59 2HG1 VAL 59 7.016 0.670 -11.371 616 1HG2 VAL 59 1HG2 VAL 59 7.750 3.762 -9.322 617 2HG2 VAL 59 2HG2 VAL 59 8.494 2.618 -10.418 618 3HG2 VAL 59 3HG2 VAL 59 7.295 3.734 -11.023 619 QG1 VAL 59 QG1 VAL 59 6.075 1.052 -11.393 620 QG2 VAL 59 QG2 VAL 59 7.846 3.371 -10.255 621 QQG VAL 59 QQG VAL 59 6.961 2.211 -10.824 622 HA PRO 60 HA PRO 60 5.094 0.689 -8.145 623 1HB PRO 60 2HB PRO 60 4.186 -0.284 -5.741 624 2HB PRO 60 3HB PRO 60 5.904 -0.150 -6.140 625 1HG PRO 60 2HG PRO 60 4.219 1.634 -4.400 626 2HG PRO 60 3HG PRO 60 5.921 1.187 -4.224 627 1HD PRO 60 2HD PRO 60 5.026 3.622 -5.278 628 2HD PRO 60 3HD PRO 60 6.632 2.928 -5.591 629 QB PRO 60 QB PRO 60 5.045 -0.217 -5.940 630 QG PRO 60 QG PRO 60 5.070 1.411 -4.312 631 QD PRO 60 QD PRO 60 5.829 3.275 -5.434 632 H GLN 61 HN GLN 61 3.012 -0.762 -7.449 633 HA GLN 61 HA GLN 61 0.683 0.978 -8.129 634 1HB GLN 61 2HB GLN 61 0.831 -2.043 -8.295 635 2HB GLN 61 3HB GLN 61 -0.265 -0.964 -9.146 636 1HG GLN 61 2HG GLN 61 1.998 0.052 -10.121 637 2HG GLN 61 3HG GLN 61 2.653 -1.525 -9.675 638 1HE2 GLN 61 2HE2 GLN 61 -0.429 -1.534 -12.361 639 2HE2 GLN 61 1HE2 GLN 61 -0.475 -0.446 -11.066 640 QB GLN 61 QB GLN 61 0.283 -1.504 -8.720 641 QG GLN 61 QG GLN 61 2.326 -0.737 -9.898 642 QE2 GLN 61 QE2 GLN 61 -0.452 -0.990 -11.714 643 H ILE 62 HN ILE 62 -0.912 1.183 -6.649 644 HA ILE 62 HA ILE 62 -0.581 -0.398 -4.138 645 HB ILE 62 HB ILE 62 -2.192 2.145 -4.417 646 1HG1 ILE 62 2HG1 ILE 62 0.111 2.595 -5.299 647 2HG1 ILE 62 3HG1 ILE 62 -0.250 3.476 -3.826 648 1HG2 ILE 62 3HG2 ILE 62 -0.742 0.765 -2.138 649 2HG2 ILE 62 1HG2 ILE 62 -1.569 2.308 -2.008 650 3HG2 ILE 62 2HG2 ILE 62 -2.482 0.853 -2.376 651 1HD1 ILE 62 2HD1 ILE 62 1.328 0.877 -3.951 652 2HD1 ILE 62 3HD1 ILE 62 2.023 2.484 -3.776 653 3HD1 ILE 62 1HD1 ILE 62 1.008 1.827 -2.502 654 QG1 ILE 62 QG1 ILE 62 -0.070 3.036 -4.562 655 QG2 ILE 62 QG2 ILE 62 -1.598 1.309 -2.174 656 QD1 ILE 62 QD1 ILE 62 1.453 1.729 -3.410 657 H PHE 63 HN PHE 63 -2.055 -1.814 -3.623 658 HA PHE 63 HA PHE 63 -4.791 -1.628 -4.822 659 1HB PHE 63 2HB PHE 63 -2.914 -3.988 -4.468 660 2HB PHE 63 3HB PHE 63 -4.658 -4.226 -4.596 661 HD1 PHE 63 1HD PHE 63 -5.852 -3.661 -6.655 662 HD2 PHE 63 2HD PHE 63 -1.622 -3.156 -6.405 663 HE1 PHE 63 1HE PHE 63 -5.744 -3.320 -9.082 664 HE2 PHE 63 2HE PHE 63 -1.534 -2.783 -8.832 665 HZ PHE 63 HZ PHE 63 -3.599 -2.849 -10.158 666 QB PHE 63 QB PHE 63 -3.786 -4.107 -4.532 667 QR PHE 63 QR PHE 63 -3.688 -3.230 -7.743 668 H VAL 64 HN VAL 64 -6.304 -1.425 -3.202 669 HA VAL 64 HA VAL 64 -5.489 -2.413 -0.477 670 HB VAL 64 HB VAL 64 -7.119 -0.036 -1.394 671 1HG1 VAL 64 2HG1 VAL 64 -8.312 -1.119 0.492 672 2HG1 VAL 64 3HG1 VAL 64 -6.823 -1.076 1.441 673 3HG1 VAL 64 1HG1 VAL 64 -7.612 0.419 0.957 674 1HG2 VAL 64 3HG2 VAL 64 -4.630 0.162 -1.232 675 2HG2 VAL 64 1HG2 VAL 64 -5.444 1.187 -0.051 676 3HG2 VAL 64 2HG2 VAL 64 -4.721 -0.337 0.454 677 QG1 VAL 64 QG1 VAL 64 -7.582 -0.592 0.963 678 QG2 VAL 64 QG2 VAL 64 -4.932 0.338 -0.276 679 QQG VAL 64 QQG VAL 64 -6.257 -0.127 0.343 680 H ASP 65 HN ASP 65 -6.665 -4.099 0.256 681 HA ASP 65 HA ASP 65 -8.352 -5.757 0.265 682 1HB ASP 65 2HB ASP 65 -9.755 -3.120 0.104 683 2HB ASP 65 3HB ASP 65 -10.648 -4.621 0.128 684 QB ASP 65 QB ASP 65 -10.201 -3.870 0.116 685 H GLN 66 HN GLN 66 -7.175 -5.039 -2.028 686 HA GLN 66 HA GLN 66 -7.008 -5.871 -4.207 687 1HB GLN 66 2HB GLN 66 -8.966 -7.449 -3.538 688 2HB GLN 66 3HB GLN 66 -9.998 -6.260 -4.337 689 1HG GLN 66 2HG GLN 66 -8.116 -6.422 -6.233 690 2HG GLN 66 3HG GLN 66 -7.838 -7.994 -5.501 691 1HE2 GLN 66 2HE2 GLN 66 -10.738 -7.781 -8.124 692 2HE2 GLN 66 1HE2 GLN 66 -9.336 -6.819 -8.093 693 QB GLN 66 QB GLN 66 -9.482 -6.855 -3.938 694 QG GLN 66 QG GLN 66 -7.977 -7.208 -5.867 695 QE2 GLN 66 QE2 GLN 66 -10.037 -7.300 -8.108 696 H GLN 67 HN GLN 67 -9.505 -3.679 -3.217 697 HA GLN 67 HA GLN 67 -10.328 -2.506 -5.613 698 1HB GLN 67 2HB GLN 67 -9.626 -0.851 -3.180 699 2HB GLN 67 3HB GLN 67 -10.942 -0.627 -4.313 700 1HG GLN 67 2HG GLN 67 -10.719 -2.819 -2.242 701 2HG GLN 67 3HG GLN 67 -11.844 -1.471 -2.230 702 1HE2 GLN 67 2HE2 GLN 67 -12.934 -4.777 -4.119 703 2HE2 GLN 67 1HE2 GLN 67 -11.667 -4.706 -2.988 704 QB GLN 67 QB GLN 67 -10.284 -0.739 -3.746 705 QG GLN 67 QG GLN 67 -11.282 -2.145 -2.236 706 QE2 GLN 67 QE2 GLN 67 -12.301 -4.741 -3.554 707 H HIS 68 HN HIS 68 -8.988 -1.896 -7.190 708 HA HIS 68 HA HIS 68 -6.251 -1.214 -6.852 709 1HB HIS 68 2HB HIS 68 -7.045 -1.667 -9.072 710 2HB HIS 68 3HB HIS 68 -8.262 -0.425 -8.965 711 HD1 HIS 68 HD1 HIS 68 -7.583 1.863 -9.570 712 HD2 HIS 68 HD2 HIS 68 -4.271 -0.557 -9.246 713 HE1 HIS 68 HE1 HIS 68 -5.645 3.174 -10.496 714 QB HIS 68 QB HIS 68 -7.653 -1.046 -9.019 715 H ILE 69 HN ILE 69 -5.318 0.624 -6.065 716 HA ILE 69 HA ILE 69 -7.180 2.884 -5.459 717 HB ILE 69 HB ILE 69 -4.455 2.225 -4.275 718 1HG1 ILE 69 2HG1 ILE 69 -6.130 0.521 -3.670 719 2HG1 ILE 69 3HG1 ILE 69 -5.750 1.521 -2.285 720 1HG2 ILE 69 1HG2 ILE 69 -6.587 4.225 -3.466 721 2HG2 ILE 69 2HG2 ILE 69 -5.142 3.858 -2.535 722 3HG2 ILE 69 3HG2 ILE 69 -5.002 4.608 -4.123 723 1HD1 ILE 69 3HD1 ILE 69 -8.190 1.872 -4.065 724 2HD1 ILE 69 1HD1 ILE 69 -8.200 1.157 -2.466 725 3HD1 ILE 69 2HD1 ILE 69 -7.806 2.855 -2.656 726 QG1 ILE 69 QG1 ILE 69 -5.940 1.021 -2.977 727 QG2 ILE 69 QG2 ILE 69 -5.577 4.230 -3.375 728 QD1 ILE 69 QD1 ILE 69 -8.065 1.961 -3.063 729 H GLY 70 HN GLY 70 -4.015 2.042 -6.740 730 1HA GLY 70 1HA GLY 70 -3.660 3.283 -8.996 731 2HA GLY 70 2HA GLY 70 -3.957 4.738 -8.059 732 QA GLY 70 QA GLY 70 -3.808 4.010 -8.528 733 H GLY 71 HN GLY 71 -2.138 5.776 -7.654 734 1HA GLY 71 1HA GLY 71 0.352 4.159 -7.269 735 2HA GLY 71 2HA GLY 71 0.325 5.780 -7.948 736 QA GLY 71 QA GLY 71 0.339 4.970 -7.609 737 OH TYR 72 OH TYR 72 5.412 7.726 0.975 738 H TYR 72 HN TYR 72 2.035 5.750 -6.201 739 HA TYR 72 HA TYR 72 1.545 5.780 -3.451 740 1HB TYR 72 2HB TYR 72 3.780 6.003 -4.669 741 2HB TYR 72 3HB TYR 72 3.422 7.712 -4.858 742 HD1 TYR 72 HD2 TYR 72 2.891 5.380 -1.948 743 HD2 TYR 72 HD1 TYR 72 4.820 8.903 -3.371 744 HE1 TYR 72 HE2 TYR 72 3.822 5.772 0.277 745 HE2 TYR 72 HE1 TYR 72 5.765 9.272 -1.141 746 HH TYR 72 HH TYR 72 5.593 6.849 1.363 747 QB TYR 72 QB TYR 72 3.601 6.858 -4.764 748 QR TYR 72 QR TYR 72 4.325 7.332 -1.546 749 H THR 73 HN THR 73 1.161 8.532 -5.710 750 HA THR 73 HA THR 73 0.532 10.442 -3.660 751 HB THR 73 HB THR 73 -0.445 11.759 -5.618 752 HG1 THR 73 1HG THR 73 -1.065 10.533 -7.213 753 1HG2 THR 73 1HG2 THR 73 2.150 10.269 -6.284 754 2HG2 THR 73 2HG2 THR 73 1.652 11.822 -6.948 755 3HG2 THR 73 3HG2 THR 73 2.077 11.689 -5.243 756 QG2 THR 73 QG2 THR 73 1.960 11.260 -6.159 757 H ASP 74 HN ASP 74 -1.657 8.816 -5.945 758 HA ASP 74 HA ASP 74 -4.120 9.564 -4.844 759 1HB ASP 74 2HB ASP 74 -3.746 8.105 -6.916 760 2HB ASP 74 3HB ASP 74 -3.580 6.736 -5.820 761 QB ASP 74 QB ASP 74 -3.663 7.420 -6.368 762 H PHE 75 HN PHE 75 -2.295 6.619 -4.046 763 HA PHE 75 HA PHE 75 -3.946 5.768 -1.910 764 1HB PHE 75 2HB PHE 75 -2.191 4.345 -2.889 765 2HB PHE 75 3HB PHE 75 -0.948 5.424 -2.277 766 HD1 PHE 75 2HD PHE 75 -3.930 3.534 -0.922 767 HD2 PHE 75 1HD PHE 75 0.079 4.819 -0.297 768 HE1 PHE 75 2HE PHE 75 -3.806 2.190 1.125 769 HE2 PHE 75 1HE PHE 75 0.176 3.522 1.782 770 HZ PHE 75 HZ PHE 75 -1.772 2.214 2.493 771 QB PHE 75 QB PHE 75 -1.569 4.885 -2.583 772 QR PHE 75 QR PHE 75 -1.870 3.516 0.422 773 H ALA 76 HN ALA 76 -1.083 7.910 -1.855 774 HA ALA 76 HA ALA 76 -0.970 8.348 0.927 775 1HB ALA 76 1HB ALA 76 -0.408 10.335 -1.303 776 2HB ALA 76 2HB ALA 76 0.141 10.494 0.360 777 3HB ALA 76 3HB ALA 76 0.741 9.177 -0.641 778 QB ALA 76 QB ALA 76 0.158 10.002 -0.528 779 H ALA 77 HN ALA 77 -2.720 10.342 -1.478 780 HA ALA 77 HA ALA 77 -4.027 12.039 0.424 781 1HB ALA 77 1HB ALA 77 -5.080 11.062 -2.279 782 2HB ALA 77 2HB ALA 77 -5.710 12.439 -1.375 783 3HB ALA 77 3HB ALA 77 -4.079 12.488 -2.036 784 QB ALA 77 QB ALA 77 -4.956 11.996 -1.897 785 CH2 TRP 78 CH2 TRP 78 -7.005 2.506 2.184 786 H TRP 78 HN TRP 78 -5.141 9.099 -1.159 787 HA TRP 78 HA TRP 78 -7.616 8.586 0.027 788 1HB TRP 78 2HB TRP 78 -6.454 7.195 -1.653 789 2HB TRP 78 3HB TRP 78 -5.320 6.688 -0.448 790 HD1 TRP 78 HD1 TRP 78 -9.043 6.242 -1.336 791 HE1 TRP 78 HE1 TRP 78 -9.865 4.132 -0.293 792 HE3 TRP 78 HE3 TRP 78 -4.954 5.044 1.258 793 HZ2 TRP 78 HZ2 TRP 78 -8.990 2.181 1.456 794 HZ3 TRP 78 HZ3 TRP 78 -5.022 3.062 2.732 795 HH2 TRP 78 HH2 TRP 78 -7.010 1.631 2.817 796 QB TRP 78 QB TRP 78 -5.887 6.941 -1.051 797 H VAL 79 HN VAL 79 -4.528 7.466 1.346 798 HA VAL 79 HA VAL 79 -5.370 6.453 3.773 799 HB VAL 79 HB VAL 79 -2.853 7.978 3.006 800 1HG1 VAL 79 1HG1 VAL 79 -3.334 6.387 5.542 801 2HG1 VAL 79 2HG1 VAL 79 -1.780 7.034 5.016 802 3HG1 VAL 79 3HG1 VAL 79 -3.087 8.126 5.454 803 1HG2 VAL 79 1HG2 VAL 79 -3.425 5.024 3.423 804 2HG2 VAL 79 2HG2 VAL 79 -3.201 5.816 1.876 805 3HG2 VAL 79 3HG2 VAL 79 -1.861 5.700 2.994 806 QG1 VAL 79 QG1 VAL 79 -2.734 7.182 5.337 807 QG2 VAL 79 QG2 VAL 79 -2.829 5.513 2.764 808 QQG VAL 79 QQG VAL 79 -2.781 6.348 4.051 809 H LYS 80 HN LYS 80 -5.305 9.759 2.853 810 HA LYS 80 HA LYS 80 -5.836 10.618 5.635 811 1HB LYS 80 2HB LYS 80 -4.132 11.633 3.731 812 2HB LYS 80 3HB LYS 80 -5.522 12.646 3.462 813 1HG LYS 80 2HG LYS 80 -4.830 12.265 6.320 814 2HG LYS 80 3HG LYS 80 -3.574 13.042 5.384 815 1HD LYS 80 2HD LYS 80 -4.787 14.889 6.093 816 2HD LYS 80 3HD LYS 80 -5.526 14.599 4.532 817 1HE LYS 80 2HE LYS 80 -6.701 13.224 6.934 818 2HE LYS 80 3HE LYS 80 -6.999 14.941 6.744 819 1HZ LYS 80 3HZ LYS 80 -7.470 13.806 4.263 820 2HZ LYS 80 1HZ LYS 80 -8.224 12.797 5.408 821 3HZ LYS 80 2HZ LYS 80 -8.630 14.440 5.354 822 QB LYS 80 QB LYS 80 -4.827 12.140 3.596 823 QG LYS 80 QG LYS 80 -4.202 12.653 5.852 824 QD LYS 80 QD LYS 80 -5.157 14.744 5.313 825 QE LYS 80 QE LYS 80 -6.850 14.082 6.839 826 QZ LYS 80 QZ LYS 80 -8.108 13.681 5.009 827 H GLU 81 HN GLU 81 -6.945 11.687 2.431 828 HA GLU 81 HA GLU 81 -9.377 12.832 3.293 829 1HB GLU 81 2HB GLU 81 -8.467 11.654 0.666 830 2HB GLU 81 3HB GLU 81 -10.069 12.344 0.827 831 1HG GLU 81 2HG GLU 81 -8.458 14.014 -0.040 832 2HG GLU 81 3HG GLU 81 -9.071 14.502 1.533 833 QB GLU 81 QB GLU 81 -9.268 11.999 0.746 834 QG GLU 81 QG GLU 81 -8.764 14.258 0.747 835 H ASN 82 HN ASN 82 -8.649 9.493 2.850 836 HA ASN 82 HA ASN 82 -11.540 8.859 3.023 837 1HB ASN 82 2HB ASN 82 -10.945 7.887 1.103 838 2HB ASN 82 3HB ASN 82 -9.241 7.946 1.464 839 1HD2 ASN 82 2HD2 ASN 82 -8.956 4.817 2.637 840 2HD2 ASN 82 1HD2 ASN 82 -8.318 6.353 2.559 841 QB ASN 82 QB ASN 82 -10.093 7.916 1.283 842 QD2 ASN 82 QD2 ASN 82 -8.637 5.585 2.598 843 H LEU 83 HN LEU 83 -8.428 8.146 4.549 844 HA LEU 83 HA LEU 83 -9.905 6.322 6.404 845 1HB LEU 83 2HB LEU 83 -6.946 6.947 6.410 846 2HB LEU 83 3HB LEU 83 -7.744 5.694 7.336 847 HG LEU 83 HG LEU 83 -7.531 5.830 4.313 848 1HD1 LEU 83 3HD1 LEU 83 -6.405 3.904 6.372 849 2HD1 LEU 83 1HD1 LEU 83 -6.229 3.743 4.632 850 3HD1 LEU 83 2HD1 LEU 83 -5.483 5.098 5.468 851 1HD2 LEU 83 3HD2 LEU 83 -8.930 3.808 6.102 852 2HD2 LEU 83 1HD2 LEU 83 -9.720 4.886 4.956 853 3HD2 LEU 83 2HD2 LEU 83 -8.670 3.601 4.376 854 QB LEU 83 QB LEU 83 -7.345 6.321 6.873 855 QD1 LEU 83 QD1 LEU 83 -6.039 4.248 5.491 856 QD2 LEU 83 QD2 LEU 83 -9.107 4.098 5.145 857 QQD LEU 83 QQD LEU 83 -7.573 4.173 5.318 858 H ASP 84 HN ASP 84 -9.034 9.568 6.248 859 HA ASP 84 HA ASP 84 -9.342 9.873 9.228 860 1HB ASP 84 2HB ASP 84 -7.898 11.650 7.221 861 2HB ASP 84 3HB ASP 84 -8.206 12.109 8.880 862 QB ASP 84 QB ASP 84 -8.052 11.880 8.050 863 H ALA 85 HN ALA 85 -9.642 11.452 6.203 864 HA ALA 85 HA ALA 85 -11.774 12.206 5.234 865 1HB ALA 85 3HB ALA 85 -12.181 13.417 7.995 866 2HB ALA 85 1HB ALA 85 -13.247 13.643 6.612 867 3HB ALA 85 2HB ALA 85 -13.086 12.051 7.351 868 QB ALA 85 QB ALA 85 -12.838 13.037 7.320 Start of MODEL 17 Raw file had 868 H/Q atoms Start of MODEL 17 1 H MET 1 HN MET 1 -9.105 -4.116 6.640 2 HA MET 1 HA MET 1 -8.536 -3.178 4.046 3 1HB MET 1 2HB MET 1 -8.804 -1.859 6.259 4 2HB MET 1 3HB MET 1 -7.129 -2.283 6.580 5 1HG MET 1 2HG MET 1 -7.329 -0.086 5.470 6 2HG MET 1 3HG MET 1 -6.416 -1.221 4.511 7 1HE MET 1 3HE MET 1 -9.844 -0.108 5.348 8 2HE MET 1 1HE MET 1 -9.650 1.283 4.279 9 3HE MET 1 2HE MET 1 -10.746 -0.026 3.838 10 QB MET 1 QB MET 1 -7.966 -2.071 6.420 11 QG MET 1 QG MET 1 -6.873 -0.654 4.991 12 QE MET 1 QE MET 1 -10.080 0.383 4.488 13 H GLN 2 HN GLN 2 -7.460 -4.998 3.124 14 HA GLN 2 HA GLN 2 -4.696 -5.568 4.089 15 1HB GLN 2 2HB GLN 2 -6.391 -6.882 1.923 16 2HB GLN 2 3HB GLN 2 -4.730 -7.337 2.269 17 1HG GLN 2 2HG GLN 2 -6.108 -8.893 3.483 18 2HG GLN 2 3HG GLN 2 -5.479 -7.770 4.685 19 1HE2 GLN 2 1HE2 GLN 2 -9.443 -7.565 3.660 20 2HE2 GLN 2 2HE2 GLN 2 -8.361 -8.397 2.655 21 QB GLN 2 QB GLN 2 -5.560 -7.109 2.096 22 QG GLN 2 QG GLN 2 -5.793 -8.331 4.084 23 QE2 GLN 2 QE2 GLN 2 -8.902 -7.981 3.158 24 H THR 3 HN THR 3 -3.472 -3.868 3.465 25 HA THR 3 HA THR 3 -3.816 -2.725 0.776 26 HB THR 3 HB THR 3 -1.735 -1.972 2.878 27 HG1 THR 3 1HG THR 3 -3.596 -1.905 3.966 28 1HG2 THR 3 2HG2 THR 3 -3.402 -0.316 0.916 29 2HG2 THR 3 3HG2 THR 3 -2.124 0.285 1.962 30 3HG2 THR 3 1HG2 THR 3 -1.730 -0.769 0.614 31 QG2 THR 3 QG2 THR 3 -2.419 -0.267 1.164 32 H VAL 4 HN VAL 4 -2.742 -3.463 -0.908 33 HA VAL 4 HA VAL 4 -0.316 -5.195 -0.464 34 HB VAL 4 HB VAL 4 -2.173 -5.147 -2.860 35 1HG1 VAL 4 3HG1 VAL 4 0.097 -6.998 -2.055 36 2HG1 VAL 4 1HG1 VAL 4 -0.956 -7.248 -3.441 37 3HG1 VAL 4 2HG1 VAL 4 0.113 -5.854 -3.398 38 1HG2 VAL 4 1HG2 VAL 4 -1.982 -7.139 -0.579 39 2HG2 VAL 4 2HG2 VAL 4 -3.325 -6.036 -0.861 40 3HG2 VAL 4 3HG2 VAL 4 -2.993 -7.328 -2.009 41 QG1 VAL 4 QG1 VAL 4 -0.249 -6.700 -2.964 42 QG2 VAL 4 QG2 VAL 4 -2.767 -6.834 -1.150 43 QQG VAL 4 QQG VAL 4 -1.508 -6.767 -2.057 44 H ILE 5 HN ILE 5 1.528 -4.614 -1.321 45 HA ILE 5 HA ILE 5 1.587 -2.215 -3.125 46 HB ILE 5 HB ILE 5 3.804 -3.134 -1.286 47 1HG1 ILE 5 2HG1 ILE 5 1.827 -2.874 0.145 48 2HG1 ILE 5 3HG1 ILE 5 2.975 -1.592 0.451 49 1HG2 ILE 5 1HG2 ILE 5 3.096 -0.445 -2.492 50 2HG2 ILE 5 2HG2 ILE 5 4.425 -0.713 -1.374 51 3HG2 ILE 5 3HG2 ILE 5 4.434 -1.477 -2.961 52 1HD1 ILE 5 3HD1 ILE 5 0.553 -1.317 -1.348 53 2HD1 ILE 5 1HD1 ILE 5 0.643 -0.749 0.314 54 3HD1 ILE 5 2HD1 ILE 5 1.678 -0.036 -0.914 55 QG1 ILE 5 QG1 ILE 5 2.401 -2.233 0.298 56 QG2 ILE 5 QG2 ILE 5 3.985 -0.878 -2.276 57 QD1 ILE 5 QD1 ILE 5 0.958 -0.701 -0.650 58 H PHE 6 HN PHE 6 2.031 -2.980 -5.188 59 HA PHE 6 HA PHE 6 3.773 -5.348 -5.538 60 1HB PHE 6 2HB PHE 6 2.015 -3.697 -7.375 61 2HB PHE 6 3HB PHE 6 3.175 -4.836 -8.031 62 HD1 PHE 6 2HD PHE 6 0.073 -4.502 -6.089 63 HD2 PHE 6 1HD PHE 6 2.839 -7.253 -7.795 64 HE1 PHE 6 2HE PHE 6 -1.578 -6.308 -5.853 65 HE2 PHE 6 1HE PHE 6 1.201 -9.058 -7.542 66 HZ PHE 6 HZ PHE 6 -1.015 -8.590 -6.589 67 QB PHE 6 QB PHE 6 2.595 -4.266 -7.703 68 QR PHE 6 QR PHE 6 0.634 -6.780 -6.820 69 H GLY 7 HN GLY 7 5.907 -4.667 -5.206 70 1HA GLY 7 1HA GLY 7 6.897 -2.514 -7.066 71 2HA GLY 7 2HA GLY 7 7.494 -2.632 -5.421 72 QA GLY 7 QA GLY 7 7.195 -2.573 -6.243 73 NH1 ARG 8 NH2 ARG 8 13.856 -7.310 -8.616 74 NH2 ARG 8 NH1 ARG 8 13.938 -8.095 -10.769 75 H ARG 8 HN ARG 8 9.663 -2.824 -6.533 76 HA ARG 8 HA ARG 8 10.116 -5.678 -7.313 77 1HB ARG 8 2HB ARG 8 10.151 -3.976 -9.254 78 2HB ARG 8 3HB ARG 8 11.658 -3.386 -8.565 79 1HG ARG 8 2HG ARG 8 12.074 -6.107 -8.578 80 2HG ARG 8 3HG ARG 8 11.102 -5.910 -10.019 81 1HD ARG 8 2HD ARG 8 12.650 -4.473 -11.055 82 2HD ARG 8 3HD ARG 8 13.422 -4.036 -9.537 83 HE ARG 8 HE ARG 8 14.864 -5.638 -10.822 84 1HH1 ARG 8 2HH2 ARG 8 13.840 -6.513 -7.992 85 2HH1 ARG 8 1HH2 ARG 8 13.815 -8.235 -8.242 86 1HH2 ARG 8 2HH1 ARG 8 14.038 -7.899 -11.750 87 2HH2 ARG 8 1HH1 ARG 8 13.840 -9.042 -10.459 88 QB ARG 8 QB ARG 8 10.904 -3.681 -8.910 89 QG ARG 8 QG ARG 8 11.588 -6.008 -9.298 90 QD ARG 8 QD ARG 8 13.036 -4.255 -10.296 91 QH1 ARG 8 QH2 ARG 8 13.828 -7.374 -8.117 92 QH2 ARG 8 QH1 ARG 8 13.939 -8.471 -11.104 93 H SER 9 HN SER 9 10.628 -3.949 -4.848 94 HA SER 9 HA SER 9 12.057 -4.030 -3.037 95 1HB SER 9 2HB SER 9 13.734 -5.903 -4.746 96 2HB SER 9 3HB SER 9 14.015 -5.554 -3.034 97 HG SER 9 HG SER 9 11.396 -6.173 -3.809 98 QB SER 9 QB SER 9 13.874 -5.729 -3.890 99 H GLY 10 HN GLY 10 14.136 -3.907 -5.946 100 1HA GLY 10 1HA GLY 10 15.867 -1.959 -4.538 101 2HA GLY 10 2HA GLY 10 16.177 -2.642 -6.126 102 QA GLY 10 QA GLY 10 16.022 -2.301 -5.332 103 H CYS 11 HN CYS 11 13.201 -1.158 -5.092 104 HA CYS 11 HA CYS 11 13.685 1.073 -7.026 105 1HB CYS 11 2HB CYS 11 12.045 -0.310 -7.991 106 2HB CYS 11 3HB CYS 11 11.243 -0.581 -6.468 107 QB CYS 11 QB CYS 11 11.644 -0.445 -7.230 108 HA PRO 12 HA PRO 12 13.618 3.051 -2.853 109 1HB PRO 12 2HB PRO 12 14.034 5.307 -4.808 110 2HB PRO 12 3HB PRO 12 14.811 5.024 -3.244 111 1HG PRO 12 2HG PRO 12 16.073 4.423 -5.577 112 2HG PRO 12 3HG PRO 12 16.306 3.439 -4.127 113 1HD PRO 12 2HD PRO 12 14.780 2.795 -6.608 114 2HD PRO 12 3HD PRO 12 15.498 1.687 -5.418 115 QB PRO 12 QB PRO 12 14.422 5.165 -4.026 116 QG PRO 12 QG PRO 12 16.190 3.931 -4.852 117 QD PRO 12 QD PRO 12 15.139 2.241 -6.013 118 OH TYR 13 OH TYR 13 4.343 7.348 -6.784 119 H TYR 13 HN TYR 13 12.061 4.509 -5.739 120 HA TYR 13 HA TYR 13 10.053 5.916 -4.299 121 1HB TYR 13 2HB TYR 13 10.391 6.322 -6.697 122 2HB TYR 13 3HB TYR 13 9.891 4.678 -7.076 123 HD1 TYR 13 HD2 TYR 13 8.293 6.976 -4.584 124 HD2 TYR 13 HD1 TYR 13 7.925 5.088 -8.381 125 HE1 TYR 13 HE2 TYR 13 6.001 7.802 -4.771 126 HE2 TYR 13 HE1 TYR 13 5.636 5.929 -8.564 127 HH TYR 13 HH TYR 13 4.317 8.067 -7.431 128 QB TYR 13 QB TYR 13 10.141 5.500 -6.887 129 QR TYR 13 QR TYR 13 6.964 6.448 -6.575 130 H CYS 14 HN CYS 14 9.935 2.625 -5.687 131 HA CYS 14 HA CYS 14 7.313 1.975 -4.770 132 1HB CYS 14 2HB CYS 14 9.632 0.070 -4.961 133 2HB CYS 14 3HB CYS 14 7.936 -0.319 -5.077 134 QB CYS 14 QB CYS 14 8.784 -0.124 -5.019 135 H VAL 15 HN VAL 15 10.438 1.751 -3.213 136 HA VAL 15 HA VAL 15 9.559 0.435 -0.845 137 HB VAL 15 HB VAL 15 11.796 2.467 -1.139 138 1HG1 VAL 15 1HG1 VAL 15 11.104 2.058 1.231 139 2HG1 VAL 15 2HG1 VAL 15 11.281 0.325 0.967 140 3HG1 VAL 15 3HG1 VAL 15 12.690 1.376 0.899 141 1HG2 VAL 15 2HG2 VAL 15 11.959 0.487 -2.658 142 2HG2 VAL 15 3HG2 VAL 15 13.191 0.420 -1.402 143 3HG2 VAL 15 1HG2 VAL 15 11.745 -0.582 -1.282 144 QG1 VAL 15 QG1 VAL 15 11.692 1.253 1.032 145 QG2 VAL 15 QG2 VAL 15 12.298 0.108 -1.781 146 QQG VAL 15 QQG VAL 15 11.995 0.680 -0.374 147 NH1 ARG 16 NH1 ARG 16 5.338 6.645 2.568 148 NH2 ARG 16 NH2 ARG 16 6.227 8.612 3.300 149 H ARG 16 HN ARG 16 9.925 3.986 -1.386 150 HA ARG 16 HA ARG 16 9.127 5.065 1.009 151 1HB ARG 16 2HB ARG 16 9.480 6.649 -0.640 152 2HB ARG 16 3HB ARG 16 8.571 5.764 -1.840 153 1HG ARG 16 2HG ARG 16 7.194 7.582 -1.468 154 2HG ARG 16 3HG ARG 16 6.476 6.406 -0.403 155 1HD ARG 16 2HD ARG 16 8.559 8.380 0.587 156 2HD ARG 16 3HD ARG 16 6.850 8.786 0.534 157 HE ARG 16 HE ARG 16 8.041 6.643 2.259 158 1HH1 ARG 16 2HH1 ARG 16 5.484 5.793 2.056 159 2HH1 ARG 16 1HH1 ARG 16 4.470 6.819 3.027 160 1HH2 ARG 16 2HH2 ARG 16 7.009 9.232 3.296 161 2HH2 ARG 16 1HH2 ARG 16 5.411 8.840 3.832 162 QB ARG 16 QB ARG 16 9.026 6.207 -1.240 163 QG ARG 16 QG ARG 16 6.835 6.994 -0.935 164 QD ARG 16 QD ARG 16 7.704 8.583 0.560 165 QH1 ARG 16 QH1 ARG 16 4.977 6.306 2.541 166 QH2 ARG 16 QH2 ARG 16 6.210 9.036 3.564 167 H ALA 17 HN ALA 17 6.846 3.862 -1.425 168 HA ALA 17 HA ALA 17 4.377 4.246 -0.231 169 1HB ALA 17 2HB ALA 17 4.694 3.042 -2.378 170 2HB ALA 17 3HB ALA 17 5.310 1.642 -1.506 171 3HB ALA 17 1HB ALA 17 3.632 2.142 -1.302 172 QB ALA 17 QB ALA 17 4.545 2.275 -1.728 173 H LYS 18 HN LYS 18 6.587 1.598 0.547 174 HA LYS 18 HA LYS 18 5.001 0.224 2.413 175 1HB LYS 18 2HB LYS 18 6.954 -0.888 1.808 176 2HB LYS 18 3HB LYS 18 7.947 0.541 1.954 177 1HG LYS 18 2HG LYS 18 6.718 -0.459 4.490 178 2HG LYS 18 3HG LYS 18 8.001 -1.437 3.781 179 1HD LYS 18 2HD LYS 18 9.535 0.396 3.767 180 2HD LYS 18 3HD LYS 18 8.284 1.555 4.125 181 1HE LYS 18 2HE LYS 18 7.981 0.252 6.353 182 2HE LYS 18 3HE LYS 18 9.542 -0.465 5.970 183 1HZ LYS 18 3HZ LYS 18 9.603 2.354 5.570 184 2HZ LYS 18 1HZ LYS 18 9.084 1.979 7.145 185 3HZ LYS 18 2HZ LYS 18 10.555 1.382 6.594 186 QB LYS 18 QB LYS 18 7.450 -0.174 1.881 187 QG LYS 18 QG LYS 18 7.360 -0.948 4.136 188 QD LYS 18 QD LYS 18 8.909 0.976 3.946 189 QE LYS 18 QE LYS 18 8.762 -0.107 6.161 190 QZ LYS 18 QZ LYS 18 9.747 1.905 6.436 191 H ASP 19 HN ASP 19 7.070 3.087 3.014 192 HA ASP 19 HA ASP 19 6.936 3.093 5.839 193 1HB ASP 19 2HB ASP 19 6.638 5.598 4.167 194 2HB ASP 19 3HB ASP 19 7.354 5.444 5.750 195 QB ASP 19 QB ASP 19 6.996 5.521 4.958 196 H LEU 20 HN LEU 20 4.766 4.508 3.506 197 HA LEU 20 HA LEU 20 2.856 5.784 5.093 198 1HB LEU 20 2HB LEU 20 3.031 5.280 2.463 199 2HB LEU 20 3HB LEU 20 1.933 3.990 2.855 200 HG LEU 20 HG LEU 20 0.547 5.787 2.204 201 1HD1 LEU 20 1HD1 LEU 20 -0.246 4.709 4.254 202 2HD1 LEU 20 2HD1 LEU 20 0.665 5.854 5.237 203 3HD1 LEU 20 3HD1 LEU 20 -0.677 6.413 4.248 204 1HD2 LEU 20 2HD2 LEU 20 2.191 7.585 4.018 205 2HD2 LEU 20 3HD2 LEU 20 2.229 7.567 2.259 206 3HD2 LEU 20 1HD2 LEU 20 0.772 8.077 3.101 207 QB LEU 20 QB LEU 20 2.482 4.635 2.659 208 QD1 LEU 20 QD1 LEU 20 -0.086 5.659 4.580 209 QD2 LEU 20 QD2 LEU 20 1.731 7.743 3.126 210 QQD LEU 20 QQD LEU 20 0.822 6.701 3.853 211 H ALA 21 HN ALA 21 2.844 2.463 4.011 212 HA ALA 21 HA ALA 21 0.626 1.534 5.556 213 1HB ALA 21 1HB ALA 21 3.035 -0.011 4.528 214 2HB ALA 21 2HB ALA 21 1.531 -0.731 5.074 215 3HB ALA 21 3HB ALA 21 1.546 0.275 3.633 216 QB ALA 21 QB ALA 21 2.038 -0.156 4.412 217 H GLU 22 HN GLU 22 4.097 1.319 6.125 218 HA GLU 22 HA GLU 22 4.260 0.006 8.555 219 1HB GLU 22 2HB GLU 22 6.124 0.975 7.109 220 2HB GLU 22 3HB GLU 22 5.805 2.529 7.847 221 1HG GLU 22 2HG GLU 22 6.342 1.650 10.056 222 2HG GLU 22 3HG GLU 22 6.580 0.038 9.388 223 QB GLU 22 QB GLU 22 5.964 1.752 7.478 224 QG GLU 22 QG GLU 22 6.461 0.844 9.722 225 H LYS 23 HN LYS 23 3.814 3.526 8.135 226 HA LYS 23 HA LYS 23 3.517 4.246 10.790 227 1HB LYS 23 2HB LYS 23 2.282 5.295 8.216 228 2HB LYS 23 3HB LYS 23 2.374 6.144 9.696 229 1HG LYS 23 2HG LYS 23 4.759 5.226 8.132 230 2HG LYS 23 3HG LYS 23 4.165 6.865 8.146 231 1HD LYS 23 2HD LYS 23 5.417 5.299 10.419 232 2HD LYS 23 3HD LYS 23 6.029 6.757 9.670 233 1HE LYS 23 2HE LYS 23 3.756 6.443 11.628 234 2HE LYS 23 3HE LYS 23 5.111 7.557 11.687 235 1HZ LYS 23 2HZ LYS 23 3.543 8.069 9.386 236 2HZ LYS 23 3HZ LYS 23 2.551 8.050 10.777 237 3HZ LYS 23 1HZ LYS 23 3.889 9.090 10.698 238 QB LYS 23 QB LYS 23 2.328 5.720 8.956 239 QG LYS 23 QG LYS 23 4.462 6.046 8.139 240 QD LYS 23 QD LYS 23 5.723 6.028 10.045 241 QE LYS 23 QE LYS 23 4.434 7.000 11.658 242 QZ LYS 23 QZ LYS 23 3.328 8.403 10.287 243 H LEU 24 HN LEU 24 0.965 3.830 8.369 244 HA LEU 24 HA LEU 24 -1.276 4.033 9.988 245 1HB LEU 24 2HB LEU 24 -0.770 2.222 7.614 246 2HB LEU 24 3HB LEU 24 -2.360 2.425 8.334 247 HG LEU 24 HG LEU 24 -0.702 4.776 7.382 248 1HD1 LEU 24 2HD1 LEU 24 -1.159 3.220 5.499 249 2HD1 LEU 24 3HD1 LEU 24 -2.873 3.234 5.908 250 3HD1 LEU 24 1HD1 LEU 24 -2.095 4.705 5.345 251 1HD2 LEU 24 3HD2 LEU 24 -3.655 4.374 8.006 252 2HD2 LEU 24 1HD2 LEU 24 -2.515 5.292 8.983 253 3HD2 LEU 24 2HD2 LEU 24 -2.955 5.861 7.378 254 QB LEU 24 QB LEU 24 -1.565 2.323 7.974 255 QD1 LEU 24 QD1 LEU 24 -2.042 3.720 5.584 256 QD2 LEU 24 QD2 LEU 24 -3.042 5.176 8.122 257 QQD LEU 24 QQD LEU 24 -2.542 4.448 6.853 258 H SER 25 HN SER 25 0.306 0.935 9.224 259 HA SER 25 HA SER 25 -1.332 -0.769 10.704 260 1HB SER 25 2HB SER 25 0.823 -2.190 10.970 261 2HB SER 25 3HB SER 25 0.284 -1.794 9.337 262 HG SER 25 HG SER 25 1.797 0.244 10.272 263 QB SER 25 QB SER 25 0.554 -1.992 10.153 264 H ASN 26 HN ASN 26 0.581 1.644 12.119 265 HA ASN 26 HA ASN 26 0.345 0.289 14.777 266 1HB ASN 26 2HB ASN 26 2.524 2.099 13.682 267 2HB ASN 26 3HB ASN 26 2.402 1.640 15.376 268 1HD2 ASN 26 2HD2 ASN 26 3.758 -1.081 12.661 269 2HD2 ASN 26 1HD2 ASN 26 3.198 0.428 12.124 270 QB ASN 26 QB ASN 26 2.463 1.870 14.529 271 QD2 ASN 26 QD2 ASN 26 3.478 -0.326 12.393 272 H GLU 27 HN GLU 27 0.248 3.284 12.981 273 HA GLU 27 HA GLU 27 -0.606 4.964 15.175 274 1HB GLU 27 2HB GLU 27 -0.612 5.302 12.150 275 2HB GLU 27 3HB GLU 27 -1.170 6.565 13.236 276 1HG GLU 27 2HG GLU 27 1.034 6.602 14.357 277 2HG GLU 27 3HG GLU 27 1.602 5.307 13.313 278 QB GLU 27 QB GLU 27 -0.891 5.934 12.693 279 QG GLU 27 QG GLU 27 1.318 5.955 13.835 280 NH1 ARG 28 NH2 ARG 28 -9.517 5.000 10.475 281 NH2 ARG 28 NH1 ARG 28 -10.008 3.163 11.731 282 H ARG 28 HN ARG 28 -2.247 3.014 12.781 283 HA ARG 28 HA ARG 28 -4.868 3.949 13.864 284 1HB ARG 28 2HB ARG 28 -4.020 3.404 11.131 285 2HB ARG 28 3HB ARG 28 -5.409 2.415 11.548 286 1HG ARG 28 2HG ARG 28 -6.319 4.702 12.589 287 2HG ARG 28 3HG ARG 28 -5.178 5.422 11.466 288 1HD ARG 28 2HD ARG 28 -7.160 5.305 10.208 289 2HD ARG 28 3HD ARG 28 -6.291 3.869 9.686 290 HE ARG 28 HE ARG 28 -7.712 2.543 11.286 291 1HH1 ARG 28 2HH2 ARG 28 -8.863 5.549 9.954 292 2HH1 ARG 28 1HH2 ARG 28 -10.461 5.317 10.538 293 1HH2 ARG 28 2HH1 ARG 28 -9.697 2.318 12.201 294 2HH2 ARG 28 1HH1 ARG 28 -10.971 3.426 11.786 295 QB ARG 28 QB ARG 28 -4.715 2.910 11.339 296 QG ARG 28 QG ARG 28 -5.748 5.062 12.028 297 QD ARG 28 QD ARG 28 -6.725 4.587 9.947 298 QH1 ARG 28 QH2 ARG 28 -9.662 5.433 10.246 299 QH2 ARG 28 QH1 ARG 28 -10.334 2.872 11.993 300 H ASP 29 HN ASP 29 -6.434 1.853 12.997 301 HA ASP 29 HA ASP 29 -5.711 -0.143 15.048 302 1HB ASP 29 2HB ASP 29 -8.202 -0.742 14.748 303 2HB ASP 29 3HB ASP 29 -7.823 0.815 15.452 304 QB ASP 29 QB ASP 29 -8.012 0.037 15.100 305 H ASP 30 HN ASP 30 -7.715 -0.674 12.170 306 HA ASP 30 HA ASP 30 -6.846 -3.424 11.991 307 1HB ASP 30 2HB ASP 30 -9.098 -2.969 11.337 308 2HB ASP 30 3HB ASP 30 -8.602 -1.686 10.242 309 QB ASP 30 QB ASP 30 -8.850 -2.328 10.790 310 H PHE 31 HN PHE 31 -6.606 -0.814 9.637 311 HA PHE 31 HA PHE 31 -5.403 -1.295 7.498 312 1HB PHE 31 2HB PHE 31 -4.886 0.853 8.679 313 2HB PHE 31 3HB PHE 31 -3.520 0.047 9.459 314 HD1 PHE 31 2HD PHE 31 -4.873 1.175 6.188 315 HD2 PHE 31 1HD PHE 31 -1.554 -0.605 8.178 316 HE1 PHE 31 2HE PHE 31 -3.591 1.229 4.096 317 HE2 PHE 31 1HE PHE 31 -0.262 -0.489 6.109 318 HZ PHE 31 HZ PHE 31 -1.278 0.406 4.057 319 QB PHE 31 QB PHE 31 -4.203 0.450 9.069 320 QR PHE 31 QR PHE 31 -2.570 0.328 6.143 321 H GLN 32 HN GLN 32 -4.828 -3.324 6.928 322 HA GLN 32 HA GLN 32 -2.346 -4.475 8.138 323 1HB GLN 32 2HB GLN 32 -4.460 -5.770 6.351 324 2HB GLN 32 3HB GLN 32 -3.081 -6.596 7.056 325 1HG GLN 32 2HG GLN 32 -3.961 -6.306 9.298 326 2HG GLN 32 3HG GLN 32 -5.240 -5.243 8.713 327 1HE2 GLN 32 2HE2 GLN 32 -7.362 -8.005 8.303 328 2HE2 GLN 32 1HE2 GLN 32 -7.153 -6.424 8.894 329 QB GLN 32 QB GLN 32 -3.770 -6.183 6.704 330 QG GLN 32 QG GLN 32 -4.600 -5.774 9.005 331 QE2 GLN 32 QE2 GLN 32 -7.257 -7.214 8.598 332 OH TYR 33 OH TYR 33 4.557 -3.212 8.085 333 H TYR 33 HN TYR 33 -0.786 -5.323 6.446 334 HA TYR 33 HA TYR 33 -1.257 -4.521 3.698 335 1HB TYR 33 2HB TYR 33 0.506 -2.874 3.487 336 2HB TYR 33 3HB TYR 33 -0.549 -2.348 4.793 337 HD1 TYR 33 HD1 TYR 33 0.177 -2.675 7.178 338 HD2 TYR 33 HD2 TYR 33 2.796 -3.513 3.925 339 HE1 TYR 33 HE1 TYR 33 2.079 -2.739 8.712 340 HE2 TYR 33 HE2 TYR 33 4.695 -3.580 5.476 341 HH TYR 33 HH TYR 33 4.367 -2.589 8.794 342 QB TYR 33 QB TYR 33 -0.022 -2.611 4.140 343 QR TYR 33 QR TYR 33 2.437 -3.127 6.323 344 H GLN 34 HN GLN 34 0.292 -5.253 2.275 345 HA GLN 34 HA GLN 34 2.521 -6.887 3.404 346 1HB GLN 34 2HB GLN 34 0.577 -8.417 2.998 347 2HB GLN 34 3HB GLN 34 0.581 -7.927 1.306 348 1HG GLN 34 2HG GLN 34 2.897 -8.786 1.053 349 2HG GLN 34 3HG GLN 34 2.921 -9.224 2.757 350 1HE2 GLN 34 2HE2 GLN 34 1.286 -11.757 0.122 351 2HE2 GLN 34 1HE2 GLN 34 2.185 -10.393 -0.346 352 QB GLN 34 QB GLN 34 0.579 -8.172 2.152 353 QG GLN 34 QG GLN 34 2.909 -9.005 1.905 354 QE2 GLN 34 QE2 GLN 34 1.736 -11.075 -0.112 355 OH TYR 35 OH TYR 35 9.086 -4.060 -3.998 356 H TYR 35 HN TYR 35 4.389 -6.687 2.251 357 HA TYR 35 HA TYR 35 4.250 -5.010 -0.189 358 1HB TYR 35 2HB TYR 35 6.099 -4.523 1.409 359 2HB TYR 35 3HB TYR 35 6.674 -6.180 1.254 360 HD1 TYR 35 HD2 TYR 35 5.754 -3.302 -1.013 361 HD2 TYR 35 HD1 TYR 35 8.431 -6.527 -0.264 362 HE1 TYR 35 HE2 TYR 35 7.017 -2.722 -3.034 363 HE2 TYR 35 HE1 TYR 35 9.671 -5.962 -2.296 364 HH TYR 35 HH TYR 35 9.243 -4.930 -4.416 365 QB TYR 35 QB TYR 35 6.387 -5.351 1.332 366 QR TYR 35 QR TYR 35 7.718 -4.628 -1.652 367 H VAL 36 HN VAL 36 4.501 -5.847 -2.175 368 HA VAL 36 HA VAL 36 5.070 -8.764 -2.421 369 HB VAL 36 HB VAL 36 2.763 -7.066 -3.287 370 1HG1 VAL 36 3HG1 VAL 36 3.830 -9.293 -5.062 371 2HG1 VAL 36 1HG1 VAL 36 2.278 -8.481 -5.244 372 3HG1 VAL 36 2HG1 VAL 36 3.772 -7.581 -5.484 373 1HG2 VAL 36 3HG2 VAL 36 2.596 -8.852 -1.583 374 2HG2 VAL 36 1HG2 VAL 36 1.574 -9.202 -2.972 375 3HG2 VAL 36 2HG2 VAL 36 3.111 -10.045 -2.773 376 QG1 VAL 36 QG1 VAL 36 3.293 -8.452 -5.264 377 QG2 VAL 36 QG2 VAL 36 2.427 -9.367 -2.443 378 QQG VAL 36 QQG VAL 36 2.860 -8.909 -3.853 379 H ASP 37 HN ASP 37 6.252 -9.326 -4.295 380 HA ASP 37 HA ASP 37 7.478 -6.999 -5.749 381 1HB ASP 37 2HB ASP 37 8.858 -8.474 -3.999 382 2HB ASP 37 3HB ASP 37 9.003 -9.544 -5.393 383 QB ASP 37 QB ASP 37 8.931 -9.009 -4.696 384 H ILE 38 HN ILE 38 7.511 -7.143 -7.937 385 HA ILE 38 HA ILE 38 5.880 -9.060 -9.266 386 HB ILE 38 HB ILE 38 6.662 -8.173 -11.350 387 1HG1 ILE 38 2HG1 ILE 38 8.989 -6.904 -9.872 388 2HG1 ILE 38 3HG1 ILE 38 9.105 -8.426 -10.747 389 1HG2 ILE 38 1HG2 ILE 38 5.340 -6.630 -9.915 390 2HG2 ILE 38 2HG2 ILE 38 6.832 -5.979 -9.245 391 3HG2 ILE 38 3HG2 ILE 38 6.462 -5.755 -10.948 392 1HD1 ILE 38 1HD1 ILE 38 8.336 -7.307 -12.820 393 2HD1 ILE 38 2HD1 ILE 38 8.254 -5.772 -11.956 394 3HD1 ILE 38 3HD1 ILE 38 9.807 -6.562 -12.200 395 QG1 ILE 38 QG1 ILE 38 9.047 -7.665 -10.310 396 QG2 ILE 38 QG2 ILE 38 6.211 -6.121 -10.036 397 QD1 ILE 38 QD1 ILE 38 8.799 -6.547 -12.325 398 NH1 ARG 39 NH1 ARG 39 12.404 -8.514 -5.228 399 NH2 ARG 39 NH2 ARG 39 13.390 -9.697 -3.557 400 H ARG 39 HN ARG 39 9.147 -9.248 -8.256 401 HA ARG 39 HA ARG 39 9.770 -11.554 -9.991 402 1HB ARG 39 2HB ARG 39 11.775 -10.586 -9.833 403 2HB ARG 39 3HB ARG 39 11.207 -9.492 -8.602 404 1HG ARG 39 2HG ARG 39 12.258 -12.285 -8.038 405 2HG ARG 39 3HG ARG 39 13.225 -10.833 -7.934 406 1HD ARG 39 2HD ARG 39 11.003 -10.210 -6.349 407 2HD ARG 39 3HD ARG 39 11.283 -11.917 -6.016 408 HE ARG 39 HE ARG 39 13.720 -11.247 -5.545 409 1HH1 ARG 39 2HH1 ARG 39 12.023 -8.469 -6.155 410 2HH1 ARG 39 1HH1 ARG 39 12.356 -7.707 -4.641 411 1HH2 ARG 39 2HH2 ARG 39 13.763 -10.566 -3.218 412 2HH2 ARG 39 1HH2 ARG 39 13.376 -8.893 -2.952 413 QB ARG 39 QB ARG 39 11.491 -10.039 -9.218 414 QG ARG 39 QG ARG 39 12.742 -11.559 -7.986 415 QD ARG 39 QD ARG 39 11.143 -11.064 -6.182 416 QH1 ARG 39 QH1 ARG 39 12.190 -8.088 -5.398 417 QH2 ARG 39 QH2 ARG 39 13.570 -9.729 -3.085 418 H ALA 40 HN ALA 40 8.169 -11.228 -7.158 419 HA ALA 40 HA ALA 40 9.141 -13.784 -5.959 420 1HB ALA 40 2HB ALA 40 8.804 -11.806 -4.442 421 2HB ALA 40 3HB ALA 40 7.114 -11.754 -4.933 422 3HB ALA 40 1HB ALA 40 7.723 -13.135 -4.034 423 QB ALA 40 QB ALA 40 7.880 -12.232 -4.470 424 H GLU 41 HN GLU 41 6.306 -12.118 -7.150 425 HA GLU 41 HA GLU 41 4.646 -14.535 -7.074 426 1HB GLU 41 2HB GLU 41 3.876 -12.108 -8.684 427 2HB GLU 41 3HB GLU 41 2.867 -13.153 -7.698 428 1HG GLU 41 2HG GLU 41 4.812 -11.046 -6.701 429 2HG GLU 41 3HG GLU 41 3.067 -11.015 -6.577 430 QB GLU 41 QB GLU 41 3.371 -12.631 -8.191 431 QG GLU 41 QG GLU 41 3.940 -11.030 -6.639 432 H GLY 42 HN GLY 42 6.341 -12.606 -9.487 433 1HA GLY 42 1HA GLY 42 7.364 -13.655 -11.455 434 2HA GLY 42 2HA GLY 42 6.108 -14.895 -11.400 435 QA GLY 42 QA GLY 42 6.736 -14.275 -11.427 436 H ILE 43 HN ILE 43 6.037 -11.373 -11.283 437 HA ILE 43 HA ILE 43 4.012 -11.424 -13.479 438 HB ILE 43 HB ILE 43 4.403 -9.438 -11.207 439 1HG1 ILE 43 2HG1 ILE 43 2.035 -11.265 -11.720 440 2HG1 ILE 43 3HG1 ILE 43 3.398 -11.792 -10.746 441 1HG2 ILE 43 1HG2 ILE 43 2.327 -9.562 -13.418 442 2HG2 ILE 43 2HG2 ILE 43 2.251 -8.465 -12.043 443 3HG2 ILE 43 3HG2 ILE 43 3.549 -8.312 -13.214 444 1HD1 ILE 43 3HD1 ILE 43 1.703 -9.324 -10.209 445 2HD1 ILE 43 1HD1 ILE 43 1.614 -10.841 -9.329 446 3HD1 ILE 43 2HD1 ILE 43 3.069 -9.855 -9.232 447 QG1 ILE 43 QG1 ILE 43 2.717 -11.528 -11.233 448 QG2 ILE 43 QG2 ILE 43 2.709 -8.780 -12.892 449 QD1 ILE 43 QD1 ILE 43 2.129 -10.007 -9.590 450 H THR 44 HN THR 44 4.013 -9.649 -14.965 451 HA THR 44 HA THR 44 6.766 -8.543 -15.406 452 HB THR 44 HB THR 44 5.887 -8.402 -17.856 453 HG1 THR 44 1HG THR 44 3.976 -9.446 -18.185 454 1HG2 THR 44 1HG2 THR 44 7.296 -10.374 -17.041 455 2HG2 THR 44 2HG2 THR 44 5.801 -11.173 -16.567 456 3HG2 THR 44 3HG2 THR 44 6.115 -10.827 -18.267 457 QG2 THR 44 QG2 THR 44 6.404 -10.792 -17.291 458 H LYS 45 HN LYS 45 6.402 -6.414 -16.925 459 HA LYS 45 HA LYS 45 4.698 -4.633 -15.259 460 1HB LYS 45 2HB LYS 45 7.100 -4.207 -16.490 461 2HB LYS 45 3HB LYS 45 6.019 -3.592 -17.727 462 1HG LYS 45 2HG LYS 45 6.310 -2.623 -14.856 463 2HG LYS 45 3HG LYS 45 6.598 -1.711 -16.327 464 1HD LYS 45 2HD LYS 45 4.069 -2.129 -16.827 465 2HD LYS 45 3HD LYS 45 3.948 -2.538 -15.124 466 1HE LYS 45 2HE LYS 45 5.022 -0.282 -14.610 467 2HE LYS 45 3HE LYS 45 4.878 0.102 -16.320 468 1HZ LYS 45 3HZ LYS 45 2.385 -0.828 -15.304 469 2HZ LYS 45 1HZ LYS 45 2.960 0.508 -14.392 470 3HZ LYS 45 2HZ LYS 45 2.776 0.623 -16.065 471 QB LYS 45 QB LYS 45 6.560 -3.900 -17.109 472 QG LYS 45 QG LYS 45 6.454 -2.167 -15.591 473 QD LYS 45 QD LYS 45 4.009 -2.334 -15.976 474 QE LYS 45 QE LYS 45 4.950 -0.090 -15.465 475 QZ LYS 45 QZ LYS 45 2.707 0.101 -15.254 476 H GLU 46 HN GLU 46 3.324 -6.529 -16.496 477 HA GLU 46 HA GLU 46 1.775 -5.134 -18.648 478 1HB GLU 46 2HB GLU 46 2.206 -8.123 -18.220 479 2HB GLU 46 3HB GLU 46 1.170 -7.426 -19.458 480 1HG GLU 46 2HG GLU 46 3.112 -6.279 -20.467 481 2HG GLU 46 3HG GLU 46 4.164 -6.925 -19.213 482 QB GLU 46 QB GLU 46 1.688 -7.775 -18.839 483 QG GLU 46 QG GLU 46 3.638 -6.602 -19.840 484 H ASP 47 HN ASP 47 1.458 -7.791 -16.322 485 HA ASP 47 HA ASP 47 -1.295 -7.682 -15.797 486 1HB ASP 47 2HB ASP 47 0.095 -9.423 -14.759 487 2HB ASP 47 3HB ASP 47 0.989 -8.200 -13.870 488 QB ASP 47 QB ASP 47 0.542 -8.812 -14.315 489 H LEU 48 HN LEU 48 1.299 -5.868 -14.247 490 HA LEU 48 HA LEU 48 -0.245 -4.526 -12.347 491 1HB LEU 48 2HB LEU 48 2.233 -3.616 -13.860 492 2HB LEU 48 3HB LEU 48 1.625 -2.775 -12.445 493 HG LEU 48 HG LEU 48 2.340 -5.743 -12.469 494 1HD1 LEU 48 2HD1 LEU 48 4.368 -4.362 -12.840 495 2HD1 LEU 48 3HD1 LEU 48 3.969 -3.401 -11.418 496 3HD1 LEU 48 1HD1 LEU 48 4.383 -5.103 -11.247 497 1HD2 LEU 48 1HD2 LEU 48 1.821 -3.801 -10.183 498 2HD2 LEU 48 2HD2 LEU 48 0.737 -5.092 -10.698 499 3HD2 LEU 48 3HD2 LEU 48 2.301 -5.484 -10.008 500 QB LEU 48 QB LEU 48 1.929 -3.196 -13.153 501 QD1 LEU 48 QD1 LEU 48 4.240 -4.289 -11.835 502 QD2 LEU 48 QD2 LEU 48 1.620 -4.792 -10.296 503 QQD LEU 48 QQD LEU 48 2.930 -4.540 -11.066 504 H GLN 49 HN GLN 49 -0.745 -4.212 -15.638 505 HA GLN 49 HA GLN 49 -1.980 -1.503 -15.267 506 1HB GLN 49 2HB GLN 49 -1.240 -3.044 -17.781 507 2HB GLN 49 3HB GLN 49 -2.313 -1.654 -17.814 508 1HG GLN 49 2HG GLN 49 -0.311 -0.582 -18.204 509 2HG GLN 49 3HG GLN 49 -0.306 -0.528 -16.446 510 1HE2 GLN 49 2HE2 GLN 49 2.170 -3.131 -18.383 511 2HE2 GLN 49 1HE2 GLN 49 0.761 -2.604 -19.164 512 QB GLN 49 QB GLN 49 -1.777 -2.349 -17.797 513 QG GLN 49 QG GLN 49 -0.309 -0.555 -17.325 514 QE2 GLN 49 QE2 GLN 49 1.466 -2.867 -18.774 515 H GLN 50 HN GLN 50 -2.547 -4.661 -16.728 516 HA GLN 50 HA GLN 50 -5.368 -4.349 -17.136 517 1HB GLN 50 2HB GLN 50 -3.783 -6.892 -16.606 518 2HB GLN 50 3HB GLN 50 -5.405 -6.831 -17.280 519 1HG GLN 50 2HG GLN 50 -2.881 -5.676 -18.533 520 2HG GLN 50 3HG GLN 50 -3.811 -7.052 -19.120 521 1HE2 GLN 50 2HE2 GLN 50 -4.982 -3.318 -20.087 522 2HE2 GLN 50 1HE2 GLN 50 -3.560 -3.612 -19.210 523 QB GLN 50 QB GLN 50 -4.594 -6.861 -16.943 524 QG GLN 50 QG GLN 50 -3.346 -6.364 -18.827 525 QE2 GLN 50 QE2 GLN 50 -4.271 -3.465 -19.649 526 H LYS 51 HN LYS 51 -3.498 -5.355 -14.410 527 HA LYS 51 HA LYS 51 -5.871 -6.045 -12.785 528 1HB LYS 51 2HB LYS 51 -3.166 -6.814 -12.881 529 2HB LYS 51 3HB LYS 51 -3.295 -5.850 -11.448 530 1HG LYS 51 2HG LYS 51 -5.431 -7.344 -10.966 531 2HG LYS 51 3HG LYS 51 -4.690 -8.431 -12.134 532 1HD LYS 51 2HD LYS 51 -3.973 -8.972 -9.797 533 2HD LYS 51 3HD LYS 51 -2.624 -8.520 -10.830 534 1HE LYS 51 2HE LYS 51 -2.734 -7.429 -8.493 535 2HE LYS 51 3HE LYS 51 -2.440 -6.362 -9.855 536 1HZ LYS 51 2HZ LYS 51 -5.239 -6.847 -9.234 537 2HZ LYS 51 3HZ LYS 51 -4.380 -5.998 -8.044 538 3HZ LYS 51 1HZ LYS 51 -4.465 -5.393 -9.636 539 QB LYS 51 QB LYS 51 -3.231 -6.332 -12.164 540 QG LYS 51 QG LYS 51 -5.060 -7.888 -11.550 541 QD LYS 51 QD LYS 51 -3.299 -8.746 -10.313 542 QE LYS 51 QE LYS 51 -2.587 -6.895 -9.174 543 QZ LYS 51 QZ LYS 51 -4.695 -6.080 -8.971 544 H ALA 52 HN ALA 52 -4.863 -3.268 -13.803 545 HA ALA 52 HA ALA 52 -5.035 -1.891 -11.154 546 1HB ALA 52 2HB ALA 52 -3.446 -1.149 -13.630 547 2HB ALA 52 3HB ALA 52 -3.598 -0.119 -12.226 548 3HB ALA 52 1HB ALA 52 -2.794 -1.672 -12.083 549 QB ALA 52 QB ALA 52 -3.279 -0.980 -12.646 550 H GLY 53 HN GLY 53 -5.411 -1.180 -14.625 551 1HA GLY 53 1HA GLY 53 -7.485 -0.421 -15.620 552 2HA GLY 53 2HA GLY 53 -8.039 0.087 -14.034 553 QA GLY 53 QA GLY 53 -7.762 -0.167 -14.827 554 H LYS 54 HN LYS 54 -5.249 1.380 -13.741 555 HA LYS 54 HA LYS 54 -5.755 3.816 -15.420 556 1HB LYS 54 2HB LYS 54 -5.218 5.141 -13.318 557 2HB LYS 54 3HB LYS 54 -6.719 4.242 -13.252 558 1HG LYS 54 2HG LYS 54 -5.988 3.061 -11.475 559 2HG LYS 54 3HG LYS 54 -4.612 2.494 -12.403 560 1HD LYS 54 2HD LYS 54 -3.586 3.581 -10.622 561 2HD LYS 54 3HD LYS 54 -3.550 4.793 -11.888 562 1HE LYS 54 2HE LYS 54 -5.590 5.831 -10.959 563 2HE LYS 54 3HE LYS 54 -5.652 4.592 -9.703 564 1HZ LYS 54 3HZ LYS 54 -3.081 5.792 -9.867 565 2HZ LYS 54 1HZ LYS 54 -4.271 6.963 -9.568 566 3HZ LYS 54 2HZ LYS 54 -4.088 5.623 -8.540 567 QB LYS 54 QB LYS 54 -5.969 4.692 -13.285 568 QG LYS 54 QG LYS 54 -5.300 2.777 -11.939 569 QD LYS 54 QD LYS 54 -3.568 4.187 -11.255 570 QE LYS 54 QE LYS 54 -5.621 5.211 -10.331 571 QZ LYS 54 QZ LYS 54 -3.813 6.126 -9.325 572 HA PRO 55 HA PRO 55 -3.137 5.054 -17.399 573 1HB PRO 55 2HB PRO 55 -0.548 5.235 -15.915 574 2HB PRO 55 3HB PRO 55 -1.218 6.312 -17.143 575 1HG PRO 55 2HG PRO 55 -1.373 6.684 -14.339 576 2HG PRO 55 3HG PRO 55 -2.309 7.571 -15.546 577 1HD PRO 55 2HD PRO 55 -3.341 5.741 -13.618 578 2HD PRO 55 3HD PRO 55 -4.233 6.420 -14.988 579 QB PRO 55 QB PRO 55 -0.883 5.774 -16.529 580 QG PRO 55 QG PRO 55 -1.841 7.127 -14.942 581 QD PRO 55 QD PRO 55 -3.787 6.080 -14.303 582 H VAL 56 HN VAL 56 -0.336 4.347 -17.805 583 HA VAL 56 HA VAL 56 -0.624 1.402 -18.139 584 HB VAL 56 HB VAL 56 0.528 3.307 -20.148 585 1HG1 VAL 56 2HG1 VAL 56 -0.008 0.323 -20.310 586 2HG1 VAL 56 3HG1 VAL 56 0.570 1.320 -21.642 587 3HG1 VAL 56 1HG1 VAL 56 1.583 1.075 -20.222 588 1HG2 VAL 56 3HG2 VAL 56 -2.098 1.781 -20.147 589 2HG2 VAL 56 1HG2 VAL 56 -1.920 3.526 -19.998 590 3HG2 VAL 56 2HG2 VAL 56 -1.483 2.724 -21.503 591 QG1 VAL 56 QG1 VAL 56 0.715 0.906 -20.725 592 QG2 VAL 56 QG2 VAL 56 -1.834 2.677 -20.549 593 QQG VAL 56 QQG VAL 56 -0.559 1.791 -20.637 594 H GLU 57 HN GLU 57 1.740 4.044 -18.254 595 HA GLU 57 HA GLU 57 3.945 2.217 -17.696 596 1HB GLU 57 2HB GLU 57 5.039 4.701 -17.353 597 2HB GLU 57 3HB GLU 57 4.887 3.892 -18.901 598 1HG GLU 57 2HG GLU 57 4.046 6.222 -19.003 599 2HG GLU 57 3HG GLU 57 2.755 5.081 -19.335 600 QB GLU 57 QB GLU 57 4.963 4.296 -18.127 601 QG GLU 57 QG GLU 57 3.400 5.652 -19.169 602 H THR 58 HN THR 58 2.178 4.635 -15.833 603 HA THR 58 HA THR 58 3.526 5.101 -13.583 604 HB THR 58 HB THR 58 1.183 5.757 -13.771 605 HG1 THR 58 1HG THR 58 0.782 4.432 -11.524 606 1HG2 THR 58 1HG2 THR 58 0.560 2.832 -13.095 607 2HG2 THR 58 2HG2 THR 58 -0.621 4.126 -13.287 608 3HG2 THR 58 3HG2 THR 58 0.288 3.551 -14.677 609 QG2 THR 58 QG2 THR 58 0.075 3.503 -13.686 610 H VAL 59 HN VAL 59 4.131 4.307 -11.690 611 HA VAL 59 HA VAL 59 3.602 1.581 -10.817 612 HB VAL 59 HB VAL 59 5.973 2.196 -12.384 613 1HG1 VAL 59 2HG1 VAL 59 6.573 1.164 -9.581 614 2HG1 VAL 59 3HG1 VAL 59 7.712 1.234 -10.920 615 3HG1 VAL 59 1HG1 VAL 59 7.078 2.721 -10.229 616 1HG2 VAL 59 2HG2 VAL 59 4.552 0.157 -12.547 617 2HG2 VAL 59 3HG2 VAL 59 6.252 -0.241 -12.323 618 3HG2 VAL 59 1HG2 VAL 59 5.135 -0.364 -10.971 619 QG1 VAL 59 QG1 VAL 59 7.121 1.706 -10.244 620 QG2 VAL 59 QG2 VAL 59 5.313 -0.149 -11.947 621 QQG VAL 59 QQG VAL 59 6.217 0.779 -11.095 622 HA PRO 60 HA PRO 60 4.341 0.340 -9.287 623 1HB PRO 60 2HB PRO 60 4.017 -0.382 -6.689 624 2HB PRO 60 3HB PRO 60 5.628 -0.144 -7.388 625 1HG PRO 60 2HG PRO 60 4.003 1.748 -5.673 626 2HG PRO 60 3HG PRO 60 5.723 1.376 -5.584 627 1HD PRO 60 2HD PRO 60 4.694 3.632 -6.859 628 2HD PRO 60 3HD PRO 60 6.252 2.897 -7.300 629 QB PRO 60 QB PRO 60 4.823 -0.263 -7.039 630 QG PRO 60 QG PRO 60 4.863 1.562 -5.628 631 QD PRO 60 QD PRO 60 5.473 3.265 -7.079 632 H GLN 61 HN GLN 61 2.461 -1.005 -8.208 633 HA GLN 61 HA GLN 61 0.069 0.754 -8.284 634 1HB GLN 61 2HB GLN 61 0.249 -2.231 -8.792 635 2HB GLN 61 3HB GLN 61 -1.212 -1.254 -8.923 636 1HG GLN 61 2HG GLN 61 1.295 -0.670 -10.531 637 2HG GLN 61 3HG GLN 61 -0.001 -1.692 -11.126 638 1HE2 GLN 61 2HE2 GLN 61 -1.647 1.057 -12.429 639 2HE2 GLN 61 1HE2 GLN 61 -1.099 -0.534 -12.588 640 QB GLN 61 QB GLN 61 -0.481 -1.742 -8.858 641 QG GLN 61 QG GLN 61 0.647 -1.181 -10.828 642 QE2 GLN 61 QE2 GLN 61 -1.373 0.261 -12.509 643 H ILE 62 HN ILE 62 -1.003 1.023 -6.472 644 HA ILE 62 HA ILE 62 -0.417 -0.753 -4.137 645 HB ILE 62 HB ILE 62 -1.800 1.956 -4.132 646 1HG1 ILE 62 2HG1 ILE 62 0.501 2.128 -5.160 647 2HG1 ILE 62 3HG1 ILE 62 0.292 3.055 -3.688 648 1HG2 ILE 62 1HG2 ILE 62 -0.394 0.332 -1.994 649 2HG2 ILE 62 2HG2 ILE 62 -1.059 1.937 -1.747 650 3HG2 ILE 62 3HG2 ILE 62 -2.125 0.592 -2.131 651 1HD1 ILE 62 2HD1 ILE 62 1.567 0.304 -3.826 652 2HD1 ILE 62 3HD1 ILE 62 2.448 1.825 -3.740 653 3HD1 ILE 62 1HD1 ILE 62 1.435 1.323 -2.394 654 QG1 ILE 62 QG1 ILE 62 0.396 2.592 -4.424 655 QG2 ILE 62 QG2 ILE 62 -1.193 0.954 -1.958 656 QD1 ILE 62 QD1 ILE 62 1.816 1.150 -3.320 657 H PHE 63 HN PHE 63 -2.123 -1.889 -3.296 658 HA PHE 63 HA PHE 63 -4.848 -1.365 -4.457 659 1HB PHE 63 2HB PHE 63 -3.525 -3.994 -3.704 660 2HB PHE 63 3HB PHE 63 -5.246 -3.840 -4.023 661 HD1 PHE 63 2HD PHE 63 -1.879 -3.580 -5.518 662 HD2 PHE 63 1HD PHE 63 -6.070 -3.541 -6.278 663 HE1 PHE 63 2HE PHE 63 -1.444 -3.642 -7.932 664 HE2 PHE 63 1HE PHE 63 -5.634 -3.627 -8.690 665 HZ PHE 63 HZ PHE 63 -3.333 -3.627 -9.523 666 QB PHE 63 QB PHE 63 -4.386 -3.917 -3.863 667 QR PHE 63 QR PHE 63 -3.757 -3.597 -7.104 668 H VAL 64 HN VAL 64 -6.298 -0.781 -2.898 669 HA VAL 64 HA VAL 64 -5.460 -1.336 -0.085 670 HB VAL 64 HB VAL 64 -7.428 0.652 -1.264 671 1HG1 VAL 64 1HG1 VAL 64 -7.019 -0.151 1.649 672 2HG1 VAL 64 2HG1 VAL 64 -7.982 1.219 1.112 673 3HG1 VAL 64 3HG1 VAL 64 -8.494 -0.414 0.722 674 1HG2 VAL 64 2HG2 VAL 64 -4.962 1.208 -1.030 675 2HG2 VAL 64 3HG2 VAL 64 -5.998 2.236 -0.038 676 3HG2 VAL 64 1HG2 VAL 64 -5.112 0.901 0.692 677 QG1 VAL 64 QG1 VAL 64 -7.832 0.218 1.161 678 QG2 VAL 64 QG2 VAL 64 -5.357 1.448 -0.126 679 QQG VAL 64 QQG VAL 64 -6.594 0.833 0.518 680 H ASP 65 HN ASP 65 -6.151 -3.176 0.604 681 HA ASP 65 HA ASP 65 -7.538 -4.940 1.171 682 1HB ASP 65 2HB ASP 65 -8.880 -2.863 1.964 683 2HB ASP 65 3HB ASP 65 -9.894 -3.148 0.559 684 QB ASP 65 QB ASP 65 -9.387 -3.006 1.261 685 H GLN 66 HN GLN 66 -9.675 -3.456 -1.230 686 HA GLN 66 HA GLN 66 -9.193 -5.802 -2.980 687 1HB GLN 66 2HB GLN 66 -11.878 -4.762 -2.042 688 2HB GLN 66 3HB GLN 66 -11.716 -5.785 -3.462 689 1HG GLN 66 2HG GLN 66 -10.685 -6.555 -0.706 690 2HG GLN 66 3HG GLN 66 -12.245 -7.056 -1.346 691 1HE2 GLN 66 2HE2 GLN 66 -8.872 -8.918 -2.595 692 2HE2 GLN 66 1HE2 GLN 66 -8.802 -7.612 -1.514 693 QB GLN 66 QB GLN 66 -11.797 -5.274 -2.752 694 QG GLN 66 QG GLN 66 -11.465 -6.806 -1.026 695 QE2 GLN 66 QE2 GLN 66 -8.837 -8.265 -2.054 696 H GLN 67 HN GLN 67 -9.418 -2.394 -2.857 697 HA GLN 67 HA GLN 67 -10.209 -2.272 -5.716 698 1HB GLN 67 2HB GLN 67 -11.530 -0.850 -4.379 699 2HB GLN 67 3HB GLN 67 -10.176 -0.397 -3.359 700 1HG GLN 67 2HG GLN 67 -10.727 1.460 -4.731 701 2HG GLN 67 3HG GLN 67 -9.194 0.840 -5.307 702 1HE2 GLN 67 2HE2 GLN 67 -10.552 0.660 -8.566 703 2HE2 GLN 67 1HE2 GLN 67 -9.268 1.164 -7.569 704 QB GLN 67 QB GLN 67 -10.853 -0.623 -3.869 705 QG GLN 67 QG GLN 67 -9.960 1.150 -5.019 706 QE2 GLN 67 QE2 GLN 67 -9.910 0.912 -8.068 707 H HIS 68 HN HIS 68 -8.909 -1.060 -7.194 708 HA HIS 68 HA HIS 68 -6.005 -1.182 -6.583 709 1HB HIS 68 2HB HIS 68 -6.767 -1.927 -8.806 710 2HB HIS 68 3HB HIS 68 -7.460 -0.351 -9.105 711 HD1 HIS 68 HD1 HIS 68 -5.988 0.676 -10.707 712 HD2 HIS 68 HD2 HIS 68 -3.762 -1.116 -7.745 713 HE1 HIS 68 HE1 HIS 68 -3.601 1.511 -10.964 714 QB HIS 68 QB HIS 68 -7.113 -1.139 -8.956 715 H ILE 69 HN ILE 69 -4.821 0.618 -6.126 716 HA ILE 69 HA ILE 69 -6.191 3.273 -6.251 717 HB ILE 69 HB ILE 69 -3.932 2.540 -4.365 718 1HG1 ILE 69 2HG1 ILE 69 -5.820 0.884 -4.061 719 2HG1 ILE 69 3HG1 ILE 69 -5.547 1.909 -2.670 720 1HG2 ILE 69 2HG2 ILE 69 -6.176 4.589 -4.255 721 2HG2 ILE 69 3HG2 ILE 69 -4.983 4.335 -2.991 722 3HG2 ILE 69 1HG2 ILE 69 -4.477 4.923 -4.570 723 1HD1 ILE 69 1HD1 ILE 69 -7.670 2.467 -4.760 724 2HD1 ILE 69 2HD1 ILE 69 -7.975 1.655 -3.228 725 3HD1 ILE 69 3HD1 ILE 69 -7.436 3.327 -3.243 726 QG1 ILE 69 QG1 ILE 69 -5.683 1.396 -3.366 727 QG2 ILE 69 QG2 ILE 69 -5.212 4.616 -3.939 728 QD1 ILE 69 QD1 ILE 69 -7.694 2.483 -3.744 729 H GLY 70 HN GLY 70 -3.336 1.421 -6.849 730 1HA GLY 70 1HA GLY 70 -1.242 1.969 -7.833 731 2HA GLY 70 2HA GLY 70 -2.308 2.408 -9.123 732 QA GLY 70 QA GLY 70 -1.775 2.189 -8.478 733 H GLY 71 HN GLY 71 0.159 3.454 -7.142 734 1HA GLY 71 1HA GLY 71 1.192 5.619 -7.865 735 2HA GLY 71 2HA GLY 71 -0.421 6.323 -7.796 736 QA GLY 71 QA GLY 71 0.385 5.971 -7.831 737 OH TYR 72 OH TYR 72 4.074 8.861 1.430 738 H TYR 72 HN TYR 72 2.412 6.278 -6.177 739 HA TYR 72 HA TYR 72 1.668 5.825 -3.452 740 1HB TYR 72 2HB TYR 72 4.033 6.077 -4.069 741 2HB TYR 72 3HB TYR 72 3.741 7.728 -4.611 742 HD1 TYR 72 HD2 TYR 72 3.137 5.611 -1.576 743 HD2 TYR 72 HD1 TYR 72 4.216 9.450 -3.068 744 HE1 TYR 72 HE2 TYR 72 3.408 6.427 0.712 745 HE2 TYR 72 HE1 TYR 72 4.482 10.264 -0.770 746 HH TYR 72 HH TYR 72 3.711 9.753 1.461 747 QB TYR 72 QB TYR 72 3.887 6.902 -4.340 748 QR TYR 72 QR TYR 72 3.811 7.938 -1.175 749 H THR 73 HN THR 73 1.656 8.710 -5.475 750 HA THR 73 HA THR 73 0.783 10.603 -3.560 751 HB THR 73 HB THR 73 -0.366 11.606 -5.794 752 HG1 THR 73 1HG THR 73 -0.427 9.852 -7.092 753 1HG2 THR 73 3HG2 THR 73 2.619 10.927 -5.785 754 2HG2 THR 73 1HG2 THR 73 1.854 12.221 -6.702 755 3HG2 THR 73 2HG2 THR 73 1.931 12.314 -4.945 756 QG2 THR 73 QG2 THR 73 2.135 11.821 -5.810 757 H ASP 74 HN ASP 74 -1.168 8.705 -5.792 758 HA ASP 74 HA ASP 74 -3.719 9.464 -4.862 759 1HB ASP 74 2HB ASP 74 -2.892 6.770 -6.007 760 2HB ASP 74 3HB ASP 74 -4.524 7.429 -5.975 761 QB ASP 74 QB ASP 74 -3.708 7.099 -5.991 762 H PHE 75 HN PHE 75 -1.865 6.531 -4.029 763 HA PHE 75 HA PHE 75 -3.658 5.563 -2.050 764 1HB PHE 75 2HB PHE 75 -1.809 4.198 -2.873 765 2HB PHE 75 3HB PHE 75 -0.633 5.324 -2.210 766 HD1 PHE 75 2HD PHE 75 -3.693 3.512 -0.927 767 HD2 PHE 75 1HD PHE 75 0.364 4.589 -0.231 768 HE1 PHE 75 2HE PHE 75 -3.728 2.301 1.210 769 HE2 PHE 75 1HE PHE 75 0.320 3.360 1.887 770 HZ PHE 75 HZ PHE 75 -1.730 2.257 2.633 771 QB PHE 75 QB PHE 75 -1.221 4.761 -2.542 772 QR PHE 75 QR PHE 75 -1.684 3.441 0.485 773 H ALA 76 HN ALA 76 -0.924 7.770 -1.757 774 HA ALA 76 HA ALA 76 -1.045 8.220 1.033 775 1HB ALA 76 2HB ALA 76 0.797 9.015 -0.425 776 2HB ALA 76 3HB ALA 76 -0.296 10.158 -1.193 777 3HB ALA 76 1HB ALA 76 0.130 10.355 0.502 778 QB ALA 76 QB ALA 76 0.211 9.843 -0.372 779 H ALA 77 HN ALA 77 -2.469 10.236 -1.552 780 HA ALA 77 HA ALA 77 -3.983 11.928 0.167 781 1HB ALA 77 1HB ALA 77 -4.640 11.045 -2.674 782 2HB ALA 77 2HB ALA 77 -5.349 12.429 -1.845 783 3HB ALA 77 3HB ALA 77 -3.635 12.422 -2.240 784 QB ALA 77 QB ALA 77 -4.542 11.965 -2.253 785 CH2 TRP 78 CH2 TRP 78 -9.124 3.427 1.450 786 H TRP 78 HN TRP 78 -5.148 9.203 -1.767 787 HA TRP 78 HA TRP 78 -7.732 8.887 -0.901 788 1HB TRP 78 2HB TRP 78 -6.529 7.403 -2.513 789 2HB TRP 78 3HB TRP 78 -5.730 6.639 -1.170 790 HD1 TRP 78 HD1 TRP 78 -8.963 6.549 -3.126 791 HE1 TRP 78 HE1 TRP 78 -10.483 4.782 -2.236 792 HE3 TRP 78 HE3 TRP 78 -6.459 5.472 1.053 793 HZ2 TRP 78 HZ2 TRP 78 -10.685 3.134 0.044 794 HZ3 TRP 78 HZ3 TRP 78 -7.428 3.874 2.659 795 HH2 TRP 78 HH2 TRP 78 -9.521 2.704 2.151 796 QB TRP 78 QB TRP 78 -6.129 7.021 -1.841 797 H VAL 79 HN VAL 79 -4.862 7.541 0.685 798 HA VAL 79 HA VAL 79 -6.136 6.404 2.941 799 HB VAL 79 HB VAL 79 -3.390 7.543 2.399 800 1HG1 VAL 79 3HG1 VAL 79 -4.321 6.458 5.078 801 2HG1 VAL 79 1HG1 VAL 79 -2.647 6.738 4.639 802 3HG1 VAL 79 2HG1 VAL 79 -3.761 8.089 4.764 803 1HG2 VAL 79 1HG2 VAL 79 -4.025 5.315 1.526 804 2HG2 VAL 79 2HG2 VAL 79 -2.732 5.192 2.711 805 3HG2 VAL 79 3HG2 VAL 79 -4.384 4.778 3.160 806 QG1 VAL 79 QG1 VAL 79 -3.576 7.095 4.827 807 QG2 VAL 79 QG2 VAL 79 -3.714 5.095 2.466 808 QQG VAL 79 QQG VAL 79 -3.645 6.095 3.646 809 H LYS 80 HN LYS 80 -4.719 9.596 2.501 810 HA LYS 80 HA LYS 80 -5.594 10.609 5.024 811 1HB LYS 80 2HB LYS 80 -3.676 11.272 3.295 812 2HB LYS 80 3HB LYS 80 -4.925 12.323 2.646 813 1HG LYS 80 2HG LYS 80 -3.556 13.509 4.289 814 2HG LYS 80 3HG LYS 80 -5.217 13.368 4.842 815 1HD LYS 80 2HD LYS 80 -3.485 11.114 5.670 816 2HD LYS 80 3HD LYS 80 -2.971 12.666 6.322 817 1HE LYS 80 2HE LYS 80 -4.816 12.897 7.641 818 2HE LYS 80 3HE LYS 80 -5.896 12.177 6.462 819 1HZ LYS 80 1HZ LYS 80 -4.162 10.176 7.398 820 2HZ LYS 80 2HZ LYS 80 -4.809 11.006 8.741 821 3HZ LYS 80 3HZ LYS 80 -5.854 10.320 7.589 822 QB LYS 80 QB LYS 80 -4.300 11.798 2.970 823 QG LYS 80 QG LYS 80 -4.387 13.439 4.565 824 QD LYS 80 QD LYS 80 -3.228 11.890 5.996 825 QE LYS 80 QE LYS 80 -5.356 12.537 7.052 826 QZ LYS 80 QZ LYS 80 -4.942 10.501 7.909 827 H GLU 81 HN GLU 81 -7.612 9.611 2.830 828 HA GLU 81 HA GLU 81 -9.498 11.917 3.159 829 1HB GLU 81 2HB GLU 81 -9.268 9.980 0.822 830 2HB GLU 81 3HB GLU 81 -10.518 11.202 0.988 831 1HG GLU 81 2HG GLU 81 -8.971 12.982 0.719 832 2HG GLU 81 3HG GLU 81 -7.588 11.946 1.021 833 QB GLU 81 QB GLU 81 -9.893 10.591 0.905 834 QG GLU 81 QG GLU 81 -8.280 12.464 0.870 835 H ASN 82 HN ASN 82 -9.435 8.503 2.286 836 HA ASN 82 HA ASN 82 -12.151 8.111 3.347 837 1HB ASN 82 2HB ASN 82 -10.225 6.118 2.088 838 2HB ASN 82 3HB ASN 82 -11.928 5.831 2.429 839 1HD2 ASN 82 2HD2 ASN 82 -10.871 8.047 -0.822 840 2HD2 ASN 82 1HD2 ASN 82 -9.698 7.565 0.309 841 QB ASN 82 QB ASN 82 -11.076 5.975 2.259 842 QD2 ASN 82 QD2 ASN 82 -10.285 7.806 -0.257 843 H LEU 83 HN LEU 83 -8.940 7.737 4.606 844 HA LEU 83 HA LEU 83 -10.024 5.800 6.615 845 1HB LEU 83 2HB LEU 83 -7.179 6.797 6.283 846 2HB LEU 83 3HB LEU 83 -7.713 5.505 7.354 847 HG LEU 83 HG LEU 83 -7.851 5.510 4.314 848 1HD1 LEU 83 2HD1 LEU 83 -5.617 5.023 5.246 849 2HD1 LEU 83 3HD1 LEU 83 -6.309 3.773 6.271 850 3HD1 LEU 83 1HD1 LEU 83 -6.311 3.587 4.522 851 1HD2 LEU 83 1HD2 LEU 83 -8.825 3.419 6.308 852 2HD2 LEU 83 2HD2 LEU 83 -9.837 4.353 5.205 853 3HD2 LEU 83 3HD2 LEU 83 -8.707 3.168 4.571 854 QB LEU 83 QB LEU 83 -7.446 6.151 6.819 855 QD1 LEU 83 QD1 LEU 83 -6.079 4.127 5.346 856 QD2 LEU 83 QD2 LEU 83 -9.123 3.647 5.361 857 QQD LEU 83 QQD LEU 83 -7.601 3.887 5.354 858 H ASP 84 HN ASP 84 -10.060 8.908 6.099 859 HA ASP 84 HA ASP 84 -9.781 9.706 8.960 860 1HB ASP 84 2HB ASP 84 -9.716 11.380 6.415 861 2HB ASP 84 3HB ASP 84 -9.632 12.038 8.046 862 QB ASP 84 QB ASP 84 -9.674 11.709 7.231 863 H ALA 85 HN ALA 85 -11.700 10.330 6.028 864 HA ALA 85 HA ALA 85 -14.144 10.424 7.746 865 1HB ALA 85 2HB ALA 85 -13.552 12.728 6.993 866 2HB ALA 85 3HB ALA 85 -13.562 12.173 5.323 867 3HB ALA 85 1HB ALA 85 -15.056 12.181 6.255 868 QB ALA 85 QB ALA 85 -14.057 12.361 6.190 Start of MODEL 18 Raw file had 868 H/Q atoms Start of MODEL 18 1 H MET 1 HN MET 1 -9.742 -3.659 4.244 2 HA MET 1 HA MET 1 -8.100 -2.194 4.810 3 1HB MET 1 2HB MET 1 -7.809 -3.577 7.487 4 2HB MET 1 3HB MET 1 -7.544 -1.883 7.096 5 1HG MET 1 2HG MET 1 -10.136 -3.346 7.459 6 2HG MET 1 3HG MET 1 -9.595 -1.864 8.193 7 1HE MET 1 2HE MET 1 -9.004 0.069 7.043 8 2HE MET 1 3HE MET 1 -9.722 0.717 5.570 9 3HE MET 1 1HE MET 1 -10.649 0.711 7.075 10 QB MET 1 QB MET 1 -7.677 -2.730 7.291 11 QG MET 1 QG MET 1 -9.865 -2.605 7.826 12 QE MET 1 QE MET 1 -9.792 0.499 6.562 13 H GLN 2 HN GLN 2 -7.351 -4.541 3.398 14 HA GLN 2 HA GLN 2 -4.687 -5.150 4.583 15 1HB GLN 2 2HB GLN 2 -6.125 -7.119 4.324 16 2HB GLN 2 3HB GLN 2 -6.428 -6.703 2.647 17 1HG GLN 2 2HG GLN 2 -4.724 -8.451 2.866 18 2HG GLN 2 3HG GLN 2 -4.055 -7.023 2.106 19 1HE2 GLN 2 2HE2 GLN 2 -1.648 -6.588 4.659 20 2HE2 GLN 2 1HE2 GLN 2 -2.199 -6.113 3.120 21 QB GLN 2 QB GLN 2 -6.277 -6.911 3.485 22 QG GLN 2 QG GLN 2 -4.390 -7.737 2.486 23 QE2 GLN 2 QE2 GLN 2 -1.924 -6.350 3.889 24 H THR 3 HN THR 3 -3.545 -3.526 3.755 25 HA THR 3 HA THR 3 -3.769 -2.669 0.968 26 HB THR 3 HB THR 3 -1.771 -1.982 3.182 27 HG1 THR 3 1HG THR 3 -3.508 -1.016 3.845 28 1HG2 THR 3 1HG2 THR 3 -2.422 -0.481 0.598 29 2HG2 THR 3 2HG2 THR 3 -1.316 0.062 1.854 30 3HG2 THR 3 3HG2 THR 3 -0.915 -1.351 0.886 31 QG2 THR 3 QG2 THR 3 -1.551 -0.590 1.113 32 H VAL 4 HN VAL 4 -2.482 -3.363 -0.710 33 HA VAL 4 HA VAL 4 -0.094 -5.042 -0.004 34 HB VAL 4 HB VAL 4 -1.872 -5.448 -2.431 35 1HG1 VAL 4 1HG1 VAL 4 0.222 -7.185 -1.059 36 2HG1 VAL 4 2HG1 VAL 4 -0.694 -7.641 -2.493 37 3HG1 VAL 4 3HG1 VAL 4 0.454 -6.312 -2.568 38 1HG2 VAL 4 2HG2 VAL 4 -1.932 -6.962 0.206 39 2HG2 VAL 4 3HG2 VAL 4 -3.205 -5.899 -0.384 40 3HG2 VAL 4 1HG2 VAL 4 -2.839 -7.394 -1.237 41 QG1 VAL 4 QG1 VAL 4 -0.006 -7.046 -2.040 42 QG2 VAL 4 QG2 VAL 4 -2.659 -6.752 -0.472 43 QQG VAL 4 QQG VAL 4 -1.332 -6.899 -1.256 44 H ILE 5 HN ILE 5 1.715 -4.290 -0.867 45 HA ILE 5 HA ILE 5 1.529 -2.128 -2.928 46 HB ILE 5 HB ILE 5 3.952 -2.950 -1.292 47 1HG1 ILE 5 2HG1 ILE 5 2.146 -2.332 0.267 48 2HG1 ILE 5 3HG1 ILE 5 3.422 -1.129 0.272 49 1HG2 ILE 5 1HG2 ILE 5 3.241 -0.391 -2.770 50 2HG2 ILE 5 2HG2 ILE 5 4.698 -0.632 -1.811 51 3HG2 ILE 5 3HG2 ILE 5 4.431 -1.584 -3.270 52 1HD1 ILE 5 2HD1 ILE 5 2.064 0.296 -1.240 53 2HD1 ILE 5 3HD1 ILE 5 0.785 -0.897 -1.201 54 3HD1 ILE 5 1HD1 ILE 5 1.228 -0.033 0.263 55 QG1 ILE 5 QG1 ILE 5 2.784 -1.730 0.270 56 QG2 ILE 5 QG2 ILE 5 4.123 -0.869 -2.617 57 QD1 ILE 5 QD1 ILE 5 1.359 -0.212 -0.726 58 H PHE 6 HN PHE 6 2.205 -2.611 -4.983 59 HA PHE 6 HA PHE 6 3.547 -5.244 -5.402 60 1HB PHE 6 2HB PHE 6 1.982 -3.479 -7.333 61 2HB PHE 6 3HB PHE 6 2.798 -4.961 -7.790 62 HD1 PHE 6 2HD PHE 6 0.619 -4.273 -4.774 63 HD2 PHE 6 1HD PHE 6 1.103 -6.431 -8.416 64 HE1 PHE 6 2HE PHE 6 -1.446 -5.492 -4.338 65 HE2 PHE 6 1HE PHE 6 -0.986 -7.632 -7.973 66 HZ PHE 6 HZ PHE 6 -2.273 -7.155 -5.935 67 QB PHE 6 QB PHE 6 2.390 -4.220 -7.561 68 QR PHE 6 QR PHE 6 -0.177 -5.957 -6.375 69 H GLY 7 HN GLY 7 5.678 -4.616 -5.108 70 1HA GLY 7 1HA GLY 7 6.695 -2.575 -7.075 71 2HA GLY 7 2HA GLY 7 7.311 -2.625 -5.421 72 QA GLY 7 QA GLY 7 7.003 -2.600 -6.248 73 NH1 ARG 8 NH1 ARG 8 14.043 -5.200 -9.750 74 NH2 ARG 8 NH2 ARG 8 13.948 -5.125 -12.030 75 H ARG 8 HN ARG 8 9.446 -3.055 -6.601 76 HA ARG 8 HA ARG 8 9.678 -5.980 -6.824 77 1HB ARG 8 2HB ARG 8 10.943 -5.921 -8.910 78 2HB ARG 8 3HB ARG 8 9.336 -5.271 -9.133 79 1HG ARG 8 2HG ARG 8 10.145 -2.995 -9.134 80 2HG ARG 8 3HG ARG 8 11.749 -3.508 -8.639 81 1HD ARG 8 2HD ARG 8 10.373 -4.074 -11.288 82 2HD ARG 8 3HD ARG 8 11.845 -3.138 -11.027 83 HE ARG 8 HE ARG 8 11.629 -6.110 -10.871 84 1HH1 ARG 8 2HH1 ARG 8 13.558 -5.253 -8.871 85 2HH1 ARG 8 1HH1 ARG 8 15.041 -5.162 -9.750 86 1HH2 ARG 8 2HH2 ARG 8 13.386 -5.121 -12.859 87 2HH2 ARG 8 1HH2 ARG 8 14.943 -5.084 -12.108 88 QB ARG 8 QB ARG 8 10.139 -5.596 -9.022 89 QG ARG 8 QG ARG 8 10.947 -3.251 -8.886 90 QD ARG 8 QD ARG 8 11.109 -3.606 -11.158 91 QH1 ARG 8 QH1 ARG 8 14.299 -5.208 -9.311 92 QH2 ARG 8 QH2 ARG 8 14.164 -5.102 -12.483 93 H SER 9 HN SER 9 11.548 -6.828 -6.064 94 HA SER 9 HA SER 9 13.204 -5.285 -4.349 95 1HB SER 9 2HB SER 9 14.057 -7.758 -5.910 96 2HB SER 9 3HB SER 9 14.882 -7.101 -4.486 97 HG SER 9 HG SER 9 12.303 -7.287 -3.877 98 QB SER 9 QB SER 9 14.469 -7.430 -5.198 99 H GLY 10 HN GLY 10 14.673 -3.739 -4.805 100 1HA GLY 10 1HA GLY 10 16.813 -3.361 -6.145 101 2HA GLY 10 2HA GLY 10 15.840 -3.734 -7.561 102 QA GLY 10 QA GLY 10 16.327 -3.547 -6.853 103 H CYS 11 HN CYS 11 13.455 -2.294 -6.617 104 HA CYS 11 HA CYS 11 14.271 0.320 -7.593 105 1HB CYS 11 2HB CYS 11 11.861 0.911 -6.844 106 2HB CYS 11 3HB CYS 11 12.085 -0.168 -8.192 107 QB CYS 11 QB CYS 11 11.973 0.372 -7.518 108 HA PRO 12 HA PRO 12 14.310 2.045 -3.408 109 1HB PRO 12 2HB PRO 12 14.625 4.702 -4.061 110 2HB PRO 12 3HB PRO 12 15.947 3.527 -4.090 111 1HG PRO 12 2HG PRO 12 14.530 4.794 -6.385 112 2HG PRO 12 3HG PRO 12 16.120 4.023 -6.354 113 1HD PRO 12 2HD PRO 12 13.628 2.876 -7.293 114 2HD PRO 12 3HD PRO 12 15.229 2.107 -7.237 115 QB PRO 12 QB PRO 12 15.286 4.115 -4.076 116 QG PRO 12 QG PRO 12 15.325 4.409 -6.370 117 QD PRO 12 QD PRO 12 14.428 2.491 -7.265 118 OH TYR 13 OH TYR 13 7.191 9.722 -4.493 119 H TYR 13 HN TYR 13 12.579 4.119 -5.741 120 HA TYR 13 HA TYR 13 10.802 5.362 -4.013 121 1HB TYR 13 2HB TYR 13 11.044 5.452 -6.684 122 2HB TYR 13 3HB TYR 13 9.606 4.433 -6.595 123 HD1 TYR 13 HD1 TYR 13 7.657 5.258 -5.108 124 HD2 TYR 13 HD2 TYR 13 10.871 7.786 -6.272 125 HE1 TYR 13 HE1 TYR 13 6.393 7.220 -4.353 126 HE2 TYR 13 HE2 TYR 13 9.580 9.749 -5.596 127 HH TYR 13 HH TYR 13 7.498 10.488 -4.991 128 QB TYR 13 QB TYR 13 10.325 4.942 -6.639 129 QR TYR 13 QR TYR 13 8.625 7.503 -5.332 130 H CYS 14 HN CYS 14 10.537 2.012 -5.123 131 HA CYS 14 HA CYS 14 7.815 1.595 -4.435 132 1HB CYS 14 2HB CYS 14 8.601 -0.770 -3.794 133 2HB CYS 14 3HB CYS 14 8.736 -0.252 -5.447 134 QB CYS 14 QB CYS 14 8.669 -0.511 -4.620 135 H VAL 15 HN VAL 15 10.594 1.921 -2.368 136 HA VAL 15 HA VAL 15 9.538 0.928 0.067 137 HB VAL 15 HB VAL 15 11.388 3.308 -0.378 138 1HG1 VAL 15 2HG1 VAL 15 10.336 3.314 1.899 139 2HG1 VAL 15 3HG1 VAL 15 10.868 1.653 2.130 140 3HG1 VAL 15 1HG1 VAL 15 12.056 2.945 1.977 141 1HG2 VAL 15 2HG2 VAL 15 11.915 0.387 0.280 142 2HG2 VAL 15 3HG2 VAL 15 12.216 1.152 -1.274 143 3HG2 VAL 15 1HG2 VAL 15 13.147 1.641 0.139 144 QG1 VAL 15 QG1 VAL 15 11.087 2.637 2.002 145 QG2 VAL 15 QG2 VAL 15 12.426 1.060 -0.285 146 QQG VAL 15 QQG VAL 15 11.756 1.849 0.858 147 NH1 ARG 16 NH2 ARG 16 8.811 7.708 2.238 148 NH2 ARG 16 NH1 ARG 16 9.232 9.743 1.289 149 H ARG 16 HN ARG 16 9.369 4.122 -1.379 150 HA ARG 16 HA ARG 16 8.110 5.723 0.441 151 1HB ARG 16 2HB ARG 16 7.536 5.442 -2.510 152 2HB ARG 16 3HB ARG 16 6.872 6.739 -1.537 153 1HG ARG 16 2HG ARG 16 9.794 6.282 -1.212 154 2HG ARG 16 3HG ARG 16 9.299 6.876 -2.789 155 1HD ARG 16 2HD ARG 16 9.834 8.656 -1.020 156 2HD ARG 16 3HD ARG 16 8.299 8.830 -1.861 157 HE ARG 16 HE ARG 16 7.175 7.916 0.199 158 1HH1 ARG 16 2HH2 ARG 16 8.402 6.791 2.155 159 2HH1 ARG 16 1HH2 ARG 16 9.250 7.965 3.093 160 1HH2 ARG 16 2HH1 ARG 16 9.134 10.340 0.496 161 2HH2 ARG 16 1HH1 ARG 16 9.698 10.079 2.106 162 QB ARG 16 QB ARG 16 7.204 6.090 -2.024 163 QG ARG 16 QG ARG 16 9.546 6.579 -2.001 164 QD ARG 16 QD ARG 16 9.067 8.743 -1.440 165 QH1 ARG 16 QH2 ARG 16 8.826 7.378 2.624 166 QH2 ARG 16 QH1 ARG 16 9.416 10.209 1.301 167 H ALA 17 HN ALA 17 6.327 3.421 -1.615 168 HA ALA 17 HA ALA 17 3.788 4.081 -0.358 169 1HB ALA 17 3HB ALA 17 4.628 1.614 -1.910 170 2HB ALA 17 1HB ALA 17 2.974 2.036 -1.487 171 3HB ALA 17 2HB ALA 17 3.887 3.060 -2.582 172 QB ALA 17 QB ALA 17 3.830 2.237 -1.993 173 H LYS 18 HN LYS 18 6.279 1.677 0.190 174 HA LYS 18 HA LYS 18 4.849 0.109 2.110 175 1HB LYS 18 2HB LYS 18 6.800 -0.839 1.083 176 2HB LYS 18 3HB LYS 18 7.805 0.508 1.582 177 1HG LYS 18 2HG LYS 18 6.425 -0.992 3.775 178 2HG LYS 18 3HG LYS 18 7.725 -1.839 2.938 179 1HD LYS 18 2HD LYS 18 9.199 0.178 3.337 180 2HD LYS 18 3HD LYS 18 7.912 0.865 4.317 181 1HE LYS 18 2HE LYS 18 7.962 -1.227 5.727 182 2HE LYS 18 3HE LYS 18 9.409 -1.711 4.860 183 1HZ LYS 18 3HZ LYS 18 9.711 0.959 5.727 184 2HZ LYS 18 1HZ LYS 18 9.196 0.020 7.041 185 3HZ LYS 18 2HZ LYS 18 10.611 -0.404 6.188 186 QB LYS 18 QB LYS 18 7.302 -0.165 1.333 187 QG LYS 18 QG LYS 18 7.075 -1.415 3.357 188 QD LYS 18 QD LYS 18 8.556 0.522 3.827 189 QE LYS 18 QE LYS 18 8.686 -1.469 5.294 190 QZ LYS 18 QZ LYS 18 9.839 0.192 6.318 191 H ASP 19 HN ASP 19 7.256 2.763 2.645 192 HA ASP 19 HA ASP 19 7.129 2.651 5.476 193 1HB ASP 19 2HB ASP 19 7.620 5.168 5.357 194 2HB ASP 19 3HB ASP 19 8.786 4.098 4.611 195 QB ASP 19 QB ASP 19 8.203 4.633 4.984 196 H LEU 20 HN LEU 20 5.188 4.573 3.244 197 HA LEU 20 HA LEU 20 3.465 5.731 5.112 198 1HB LEU 20 2HB LEU 20 3.373 6.376 2.774 199 2HB LEU 20 3HB LEU 20 2.861 4.758 2.300 200 HG LEU 20 HG LEU 20 0.716 5.018 3.392 201 1HD1 LEU 20 2HD1 LEU 20 1.825 7.631 4.491 202 2HD1 LEU 20 3HD1 LEU 20 0.147 7.118 4.628 203 3HD1 LEU 20 1HD1 LEU 20 1.409 6.200 5.429 204 1HD2 LEU 20 1HD2 LEU 20 0.906 6.100 1.174 205 2HD2 LEU 20 2HD2 LEU 20 -0.210 6.976 2.214 206 3HD2 LEU 20 3HD2 LEU 20 1.417 7.596 1.947 207 QB LEU 20 QB LEU 20 3.117 5.567 2.537 208 QD1 LEU 20 QD1 LEU 20 1.127 6.983 4.849 209 QD2 LEU 20 QD2 LEU 20 0.704 6.890 1.778 210 QQD LEU 20 QQD LEU 20 0.916 6.937 3.314 211 H ALA 21 HN ALA 21 2.679 2.714 3.284 212 HA ALA 21 HA ALA 21 0.360 2.092 4.817 213 1HB ALA 21 3HB ALA 21 0.991 0.893 2.725 214 2HB ALA 21 1HB ALA 21 2.344 0.147 3.569 215 3HB ALA 21 2HB ALA 21 0.690 -0.240 4.038 216 QB ALA 21 QB ALA 21 1.342 0.267 3.444 217 H GLU 22 HN GLU 22 3.710 1.150 5.359 218 HA GLU 22 HA GLU 22 3.474 -0.526 7.562 219 1HB GLU 22 2HB GLU 22 5.584 0.117 6.319 220 2HB GLU 22 3HB GLU 22 5.571 1.636 7.200 221 1HG GLU 22 2HG GLU 22 5.771 0.469 9.332 222 2HG GLU 22 3HG GLU 22 5.634 -1.096 8.531 223 QB GLU 22 QB GLU 22 5.578 0.876 6.760 224 QG GLU 22 QG GLU 22 5.703 -0.313 8.932 225 H LYS 23 HN LYS 23 4.163 2.941 7.790 226 HA LYS 23 HA LYS 23 3.963 3.388 10.483 227 1HB LYS 23 2HB LYS 23 4.430 5.094 8.756 228 2HB LYS 23 3HB LYS 23 2.734 5.109 8.302 229 1HG LYS 23 2HG LYS 23 2.132 5.860 10.579 230 2HG LYS 23 3HG LYS 23 3.829 5.829 11.043 231 1HD LYS 23 2HD LYS 23 4.402 7.593 9.516 232 2HD LYS 23 3HD LYS 23 2.874 7.453 8.656 233 1HE LYS 23 2HE LYS 23 3.283 8.478 11.484 234 2HE LYS 23 3HE LYS 23 2.765 9.407 10.076 235 1HZ LYS 23 1HZ LYS 23 1.069 7.209 10.280 236 2HZ LYS 23 2HZ LYS 23 1.175 7.872 11.828 237 3HZ LYS 23 3HZ LYS 23 0.658 8.823 10.530 238 QB LYS 23 QB LYS 23 3.582 5.102 8.529 239 QG LYS 23 QG LYS 23 2.980 5.845 10.811 240 QD LYS 23 QD LYS 23 3.638 7.523 9.086 241 QE LYS 23 QE LYS 23 3.024 8.943 10.780 242 QZ LYS 23 QZ LYS 23 0.967 7.968 10.879 243 H LEU 24 HN LEU 24 1.130 3.659 8.370 244 HA LEU 24 HA LEU 24 -0.917 4.190 10.062 245 1HB LEU 24 2HB LEU 24 -0.703 2.341 7.730 246 2HB LEU 24 3HB LEU 24 -2.223 2.407 8.606 247 HG LEU 24 HG LEU 24 -0.804 4.899 7.675 248 1HD1 LEU 24 1HD1 LEU 24 -1.303 3.460 5.712 249 2HD1 LEU 24 2HD1 LEU 24 -2.965 3.306 6.252 250 3HD1 LEU 24 3HD1 LEU 24 -2.350 4.869 5.737 251 1HD2 LEU 24 2HD2 LEU 24 -3.681 4.264 8.467 252 2HD2 LEU 24 3HD2 LEU 24 -2.534 5.158 9.448 253 3HD2 LEU 24 1HD2 LEU 24 -3.110 5.840 7.939 254 QB LEU 24 QB LEU 24 -1.463 2.374 8.168 255 QD1 LEU 24 QD1 LEU 24 -2.206 3.878 5.900 256 QD2 LEU 24 QD2 LEU 24 -3.108 5.087 8.618 257 QQD LEU 24 QQD LEU 24 -2.657 4.483 7.259 258 H SER 25 HN SER 25 0.424 0.982 9.757 259 HA SER 25 HA SER 25 -1.408 -0.457 11.322 260 1HB SER 25 2HB SER 25 0.396 -2.064 11.762 261 2HB SER 25 3HB SER 25 0.638 -1.422 10.127 262 HG SER 25 HG SER 25 2.237 -0.169 10.811 263 QB SER 25 QB SER 25 0.517 -1.743 10.945 264 H ASN 26 HN ASN 26 1.237 1.628 12.389 265 HA ASN 26 HA ASN 26 0.492 1.163 15.261 266 1HB ASN 26 2HB ASN 26 2.920 2.508 13.987 267 2HB ASN 26 3HB ASN 26 2.632 2.434 15.720 268 1HD2 ASN 26 2HD2 ASN 26 3.179 -1.252 14.050 269 2HD2 ASN 26 1HD2 ASN 26 2.071 -0.196 13.330 270 QB ASN 26 QB ASN 26 2.776 2.471 14.854 271 QD2 ASN 26 QD2 ASN 26 2.625 -0.724 13.690 272 H GLU 27 HN GLU 27 -0.927 2.875 13.202 273 HA GLU 27 HA GLU 27 -0.876 5.382 14.804 274 1HB GLU 27 2HB GLU 27 0.063 6.345 13.012 275 2HB GLU 27 3HB GLU 27 -0.231 4.952 12.000 276 1HG GLU 27 2HG GLU 27 -2.541 5.755 11.568 277 2HG GLU 27 3HG GLU 27 -2.239 7.164 12.585 278 QB GLU 27 QB GLU 27 -0.084 5.649 12.506 279 QG GLU 27 QG GLU 27 -2.390 6.460 12.077 280 NH1 ARG 28 NH2 ARG 28 -9.810 5.996 10.177 281 NH2 ARG 28 NH1 ARG 28 -10.674 4.080 9.349 282 H ARG 28 HN ARG 28 -2.837 3.405 12.571 283 HA ARG 28 HA ARG 28 -5.225 4.774 13.751 284 1HB ARG 28 2HB ARG 28 -4.737 4.656 11.171 285 2HB ARG 28 3HB ARG 28 -5.393 3.025 11.317 286 1HG ARG 28 2HG ARG 28 -7.443 3.953 12.381 287 2HG ARG 28 3HG ARG 28 -6.783 5.581 12.218 288 1HD ARG 28 2HD ARG 28 -7.356 5.693 10.024 289 2HD ARG 28 3HD ARG 28 -6.685 4.095 9.698 290 HE ARG 28 HE ARG 28 -8.795 3.120 10.605 291 1HH1 ARG 28 2HH2 ARG 28 -9.049 6.480 10.610 292 2HH1 ARG 28 1HH2 ARG 28 -10.635 6.502 9.903 293 1HH2 ARG 28 2HH1 ARG 28 -10.588 3.083 9.201 294 2HH2 ARG 28 1HH1 ARG 28 -11.493 4.583 9.038 295 QB ARG 28 QB ARG 28 -5.065 3.841 11.244 296 QG ARG 28 QG ARG 28 -7.113 4.767 12.300 297 QD ARG 28 QD ARG 28 -7.020 4.894 9.861 298 QH1 ARG 28 QH2 ARG 28 -9.842 6.491 10.256 299 QH2 ARG 28 QH1 ARG 28 -11.040 3.833 9.119 300 H ASP 29 HN ASP 29 -3.698 1.708 13.413 301 HA ASP 29 HA ASP 29 -4.019 -0.214 14.736 302 1HB ASP 29 2HB ASP 29 -5.125 1.264 16.451 303 2HB ASP 29 3HB ASP 29 -6.661 0.972 15.640 304 QB ASP 29 QB ASP 29 -5.893 1.118 16.046 305 H ASP 30 HN ASP 30 -6.492 1.000 12.577 306 HA ASP 30 HA ASP 30 -7.526 -1.778 12.129 307 1HB ASP 30 2HB ASP 30 -9.392 -0.756 10.999 308 2HB ASP 30 3HB ASP 30 -9.098 0.270 12.401 309 QB ASP 30 QB ASP 30 -9.245 -0.243 11.700 310 H PHE 31 HN PHE 31 -4.908 -0.430 11.101 311 HA PHE 31 HA PHE 31 -5.431 -0.903 8.196 312 1HB PHE 31 2HB PHE 31 -4.685 1.386 8.813 313 2HB PHE 31 3HB PHE 31 -3.215 0.700 9.501 314 HD1 PHE 31 2HD PHE 31 -5.117 1.162 6.351 315 HD2 PHE 31 1HD PHE 31 -1.434 -0.103 8.085 316 HE1 PHE 31 2HE PHE 31 -4.084 1.106 4.123 317 HE2 PHE 31 1HE PHE 31 -0.423 -0.179 5.859 318 HZ PHE 31 HZ PHE 31 -1.730 0.436 3.886 319 QB PHE 31 QB PHE 31 -3.950 1.043 9.157 320 QR PHE 31 QR PHE 31 -2.765 0.497 6.105 321 H GLN 32 HN GLN 32 -4.682 -2.742 7.418 322 HA GLN 32 HA GLN 32 -2.190 -3.896 8.609 323 1HB GLN 32 2HB GLN 32 -4.347 -5.501 7.194 324 2HB GLN 32 3HB GLN 32 -3.086 -6.092 8.271 325 1HG GLN 32 2HG GLN 32 -4.164 -4.807 10.149 326 2HG GLN 32 3HG GLN 32 -5.475 -4.379 9.054 327 1HE2 GLN 32 2HE2 GLN 32 -5.857 -7.756 10.992 328 2HE2 GLN 32 1HE2 GLN 32 -4.979 -6.391 11.495 329 QB GLN 32 QB GLN 32 -3.716 -5.796 7.732 330 QG GLN 32 QG GLN 32 -4.820 -4.593 9.602 331 QE2 GLN 32 QE2 GLN 32 -5.418 -7.074 11.244 332 OH TYR 33 OH TYR 33 4.933 -3.227 7.745 333 H TYR 33 HN TYR 33 -0.694 -4.714 7.059 334 HA TYR 33 HA TYR 33 -1.400 -4.428 4.211 335 1HB TYR 33 2HB TYR 33 0.348 -2.888 3.676 336 2HB TYR 33 3HB TYR 33 -0.503 -2.189 5.046 337 HD1 TYR 33 HD1 TYR 33 0.508 -2.346 7.361 338 HD2 TYR 33 HD2 TYR 33 2.631 -3.620 3.878 339 HE1 TYR 33 HE1 TYR 33 2.581 -2.480 8.656 340 HE2 TYR 33 HE2 TYR 33 4.693 -3.738 5.187 341 HH TYR 33 HH TYR 33 5.018 -4.128 8.066 342 QB TYR 33 QB TYR 33 -0.077 -2.538 4.361 343 QR TYR 33 QR TYR 33 2.603 -3.046 6.270 344 H GLN 34 HN GLN 34 0.074 -5.346 2.817 345 HA GLN 34 HA GLN 34 2.190 -7.094 3.989 346 1HB GLN 34 2HB GLN 34 0.050 -8.393 3.586 347 2HB GLN 34 3HB GLN 34 0.154 -7.965 1.889 348 1HG GLN 34 2HG GLN 34 1.055 -10.262 2.419 349 2HG GLN 34 3HG GLN 34 2.234 -9.218 1.636 350 1HE2 GLN 34 2HE2 GLN 34 2.849 -10.437 5.478 351 2HE2 GLN 34 1HE2 GLN 34 1.371 -10.761 4.715 352 QB GLN 34 QB GLN 34 0.102 -8.179 2.737 353 QG GLN 34 QG GLN 34 1.644 -9.740 2.027 354 QE2 GLN 34 QE2 GLN 34 2.110 -10.599 5.096 355 OH TYR 35 OH TYR 35 7.943 -3.170 -3.375 356 H TYR 35 HN TYR 35 3.865 -7.643 2.331 357 HA TYR 35 HA TYR 35 3.865 -5.523 0.192 358 1HB TYR 35 2HB TYR 35 5.773 -5.516 1.911 359 2HB TYR 35 3HB TYR 35 6.312 -7.025 1.172 360 HD1 TYR 35 HD1 TYR 35 7.062 -7.046 -1.204 361 HD2 TYR 35 HD2 TYR 35 5.948 -3.397 0.684 362 HE1 TYR 35 HE1 TYR 35 7.913 -5.793 -3.128 363 HE2 TYR 35 HE2 TYR 35 6.817 -2.148 -1.244 364 HH TYR 35 HH TYR 35 8.648 -2.601 -3.041 365 QB TYR 35 QB TYR 35 6.042 -6.270 1.541 366 QR TYR 35 QR TYR 35 6.935 -4.596 -1.223 367 H VAL 36 HN VAL 36 4.262 -6.084 -1.918 368 HA VAL 36 HA VAL 36 4.564 -8.984 -2.530 369 HB VAL 36 HB VAL 36 2.442 -7.015 -3.257 370 1HG1 VAL 36 1HG1 VAL 36 3.410 -9.072 -5.291 371 2HG1 VAL 36 2HG1 VAL 36 1.948 -8.094 -5.420 372 3HG1 VAL 36 3HG1 VAL 36 3.526 -7.325 -5.473 373 1HG2 VAL 36 1HG2 VAL 36 2.022 -8.979 -1.835 374 2HG2 VAL 36 2HG2 VAL 36 1.095 -9.102 -3.327 375 3HG2 VAL 36 3HG2 VAL 36 2.562 -10.050 -3.121 376 QG1 VAL 36 QG1 VAL 36 2.961 -8.164 -5.395 377 QG2 VAL 36 QG2 VAL 36 1.893 -9.377 -2.761 378 QQG VAL 36 QQG VAL 36 2.427 -8.770 -4.078 379 H ASP 37 HN ASP 37 6.142 -9.389 -3.932 380 HA ASP 37 HA ASP 37 7.433 -7.087 -5.334 381 1HB ASP 37 2HB ASP 37 9.129 -7.997 -3.968 382 2HB ASP 37 3HB ASP 37 8.497 -9.628 -4.112 383 QB ASP 37 QB ASP 37 8.813 -8.812 -4.040 384 H ILE 38 HN ILE 38 6.902 -7.072 -7.430 385 HA ILE 38 HA ILE 38 5.497 -9.252 -8.653 386 HB ILE 38 HB ILE 38 5.794 -7.996 -10.779 387 1HG1 ILE 38 2HG1 ILE 38 7.288 -5.990 -9.083 388 2HG1 ILE 38 3HG1 ILE 38 8.097 -7.163 -10.111 389 1HG2 ILE 38 3HG2 ILE 38 3.959 -7.492 -9.179 390 2HG2 ILE 38 1HG2 ILE 38 5.006 -6.366 -8.319 391 3HG2 ILE 38 2HG2 ILE 38 4.504 -6.015 -9.970 392 1HD1 ILE 38 2HD1 ILE 38 6.801 -6.282 -12.064 393 2HD1 ILE 38 3HD1 ILE 38 6.059 -5.078 -11.004 394 3HD1 ILE 38 1HD1 ILE 38 7.793 -5.027 -11.318 395 QG1 ILE 38 QG1 ILE 38 7.693 -6.576 -9.597 396 QG2 ILE 38 QG2 ILE 38 4.489 -6.624 -9.156 397 QD1 ILE 38 QD1 ILE 38 6.884 -5.462 -11.462 398 NH1 ARG 39 NH1 ARG 39 12.769 -9.994 -5.782 399 NH2 ARG 39 NH2 ARG 39 15.010 -10.255 -6.131 400 H ARG 39 HN ARG 39 8.760 -9.015 -7.967 401 HA ARG 39 HA ARG 39 9.640 -10.678 -10.258 402 1HB ARG 39 2HB ARG 39 11.070 -8.807 -9.180 403 2HB ARG 39 3HB ARG 39 11.274 -9.883 -7.816 404 1HG ARG 39 2HG ARG 39 11.985 -11.635 -9.674 405 2HG ARG 39 3HG ARG 39 12.284 -10.189 -10.618 406 1HD ARG 39 2HD ARG 39 14.359 -10.830 -9.489 407 2HD ARG 39 3HD ARG 39 13.759 -9.351 -8.738 408 HE ARG 39 HE ARG 39 13.272 -12.064 -7.520 409 1HH1 ARG 39 2HH1 ARG 39 11.827 -10.201 -6.069 410 2HH1 ARG 39 1HH1 ARG 39 12.914 -9.424 -4.962 411 1HH2 ARG 39 2HH2 ARG 39 15.745 -10.637 -6.692 412 2HH2 ARG 39 1HH2 ARG 39 15.231 -9.741 -5.303 413 QB ARG 39 QB ARG 39 11.172 -9.345 -8.498 414 QG ARG 39 QG ARG 39 12.135 -10.912 -10.146 415 QD ARG 39 QD ARG 39 14.059 -10.090 -9.114 416 QH1 ARG 39 QH1 ARG 39 12.370 -9.812 -5.516 417 QH2 ARG 39 QH2 ARG 39 15.488 -10.189 -5.997 418 H ALA 40 HN ALA 40 8.268 -11.081 -7.219 419 HA ALA 40 HA ALA 40 9.424 -13.784 -6.770 420 1HB ALA 40 3HB ALA 40 9.205 -12.229 -4.806 421 2HB ALA 40 1HB ALA 40 7.467 -12.168 -5.080 422 3HB ALA 40 2HB ALA 40 8.231 -13.685 -4.607 423 QB ALA 40 QB ALA 40 8.301 -12.694 -4.831 424 H GLU 41 HN GLU 41 6.400 -12.046 -7.177 425 HA GLU 41 HA GLU 41 4.792 -14.460 -7.463 426 1HB GLU 41 2HB GLU 41 3.963 -11.819 -8.685 427 2HB GLU 41 3HB GLU 41 2.961 -13.046 -7.928 428 1HG GLU 41 2HG GLU 41 4.854 -11.147 -6.502 429 2HG GLU 41 3HG GLU 41 3.106 -11.091 -6.466 430 QB GLU 41 QB GLU 41 3.462 -12.432 -8.306 431 QG GLU 41 QG GLU 41 3.980 -11.119 -6.484 432 H GLY 42 HN GLY 42 6.314 -12.138 -9.629 433 1HA GLY 42 1HA GLY 42 7.301 -12.764 -11.750 434 2HA GLY 42 2HA GLY 42 6.246 -14.180 -11.793 435 QA GLY 42 QA GLY 42 6.774 -13.472 -11.772 436 H ILE 43 HN ILE 43 5.825 -10.690 -11.427 437 HA ILE 43 HA ILE 43 3.635 -10.822 -13.478 438 HB ILE 43 HB ILE 43 3.960 -8.873 -11.160 439 1HG1 ILE 43 2HG1 ILE 43 1.785 -10.946 -11.497 440 2HG1 ILE 43 3HG1 ILE 43 3.304 -11.352 -10.717 441 1HG2 ILE 43 3HG2 ILE 43 1.690 -9.210 -13.172 442 2HG2 ILE 43 1HG2 ILE 43 1.674 -8.120 -11.789 443 3HG2 ILE 43 2HG2 ILE 43 2.805 -7.846 -13.100 444 1HD1 ILE 43 2HD1 ILE 43 1.451 -9.102 -9.853 445 2HD1 ILE 43 3HD1 ILE 43 1.600 -10.654 -9.050 446 3HD1 ILE 43 1HD1 ILE 43 2.963 -9.543 -9.066 447 QG1 ILE 43 QG1 ILE 43 2.544 -11.149 -11.107 448 QG2 ILE 43 QG2 ILE 43 2.056 -8.392 -12.687 449 QD1 ILE 43 QD1 ILE 43 2.004 -9.766 -9.323 450 H THR 44 HN THR 44 3.444 -9.066 -14.927 451 HA THR 44 HA THR 44 5.984 -7.536 -15.324 452 HB THR 44 HB THR 44 4.801 -7.541 -17.793 453 HG1 THR 44 1HG THR 44 3.233 -9.015 -17.785 454 1HG2 THR 44 1HG2 THR 44 7.055 -8.608 -17.216 455 2HG2 THR 44 2HG2 THR 44 6.177 -10.022 -16.638 456 3HG2 THR 44 3HG2 THR 44 6.097 -9.572 -18.338 457 QG2 THR 44 QG2 THR 44 6.443 -9.401 -17.398 458 H LYS 45 HN LYS 45 5.757 -5.329 -16.036 459 HA LYS 45 HA LYS 45 3.660 -3.890 -14.748 460 1HB LYS 45 2HB LYS 45 5.568 -3.157 -16.994 461 2HB LYS 45 3HB LYS 45 4.344 -2.025 -16.428 462 1HG LYS 45 2HG LYS 45 5.236 -2.056 -14.172 463 2HG LYS 45 3HG LYS 45 6.315 -3.387 -14.557 464 1HD LYS 45 2HD LYS 45 7.441 -1.121 -14.494 465 2HD LYS 45 3HD LYS 45 7.667 -2.006 -15.995 466 1HE LYS 45 2HE LYS 45 7.130 0.423 -16.332 467 2HE LYS 45 3HE LYS 45 6.003 -0.656 -17.133 468 1HZ LYS 45 1HZ LYS 45 5.006 -0.168 -14.560 469 2HZ LYS 45 2HZ LYS 45 5.481 1.334 -15.201 470 3HZ LYS 45 3HZ LYS 45 4.373 0.375 -16.054 471 QB LYS 45 QB LYS 45 4.956 -2.591 -16.711 472 QG LYS 45 QG LYS 45 5.776 -2.721 -14.365 473 QD LYS 45 QD LYS 45 7.554 -1.564 -15.245 474 QE LYS 45 QE LYS 45 6.566 -0.117 -16.732 475 QZ LYS 45 QZ LYS 45 4.953 0.514 -15.272 476 H GLU 46 HN GLU 46 4.111 -4.767 -18.117 477 HA GLU 46 HA GLU 46 1.921 -3.757 -19.414 478 1HB GLU 46 2HB GLU 46 2.836 -6.636 -19.734 479 2HB GLU 46 3HB GLU 46 2.126 -5.594 -20.963 480 1HG GLU 46 2HG GLU 46 4.331 -5.195 -21.521 481 2HG GLU 46 3HG GLU 46 4.259 -4.053 -20.184 482 QB GLU 46 QB GLU 46 2.481 -6.115 -20.349 483 QG GLU 46 QG GLU 46 4.295 -4.624 -20.852 484 H ASP 47 HN ASP 47 1.841 -7.020 -17.963 485 HA ASP 47 HA ASP 47 -0.884 -7.500 -18.122 486 1HB ASP 47 2HB ASP 47 1.209 -8.242 -16.082 487 2HB ASP 47 3HB ASP 47 -0.441 -8.835 -15.917 488 QB ASP 47 QB ASP 47 0.384 -8.539 -15.999 489 H LEU 48 HN LEU 48 0.763 -6.055 -15.355 490 HA LEU 48 HA LEU 48 -1.500 -5.470 -13.800 491 1HB LEU 48 2HB LEU 48 1.258 -4.447 -13.965 492 2HB LEU 48 3HB LEU 48 0.118 -3.286 -13.295 493 HG LEU 48 HG LEU 48 0.350 -6.171 -12.343 494 1HD1 LEU 48 2HD1 LEU 48 1.510 -3.630 -11.134 495 2HD1 LEU 48 3HD1 LEU 48 1.547 -5.229 -10.391 496 3HD1 LEU 48 1HD1 LEU 48 2.443 -4.931 -11.877 497 1HD2 LEU 48 2HD2 LEU 48 -1.001 -3.702 -11.165 498 2HD2 LEU 48 3HD2 LEU 48 -1.835 -5.085 -11.865 499 3HD2 LEU 48 1HD2 LEU 48 -0.912 -5.278 -10.382 500 QB LEU 48 QB LEU 48 0.688 -3.867 -13.630 501 QD1 LEU 48 QD1 LEU 48 1.833 -4.597 -11.134 502 QD2 LEU 48 QD2 LEU 48 -1.249 -4.688 -11.138 503 QQD LEU 48 QQD LEU 48 0.292 -4.643 -11.136 504 H GLN 49 HN GLN 49 -0.114 -3.544 -16.431 505 HA GLN 49 HA GLN 49 -1.554 -1.193 -16.321 506 1HB GLN 49 2HB GLN 49 -1.383 -2.845 -18.861 507 2HB GLN 49 3HB GLN 49 -1.630 -1.115 -18.778 508 1HG GLN 49 2HG GLN 49 0.858 -2.572 -17.813 509 2HG GLN 49 3HG GLN 49 0.725 -1.716 -19.332 510 1HE2 GLN 49 2HE2 GLN 49 0.254 1.411 -17.197 511 2HE2 GLN 49 1HE2 GLN 49 -0.917 0.478 -17.987 512 QB GLN 49 QB GLN 49 -1.506 -1.980 -18.819 513 QG GLN 49 QG GLN 49 0.791 -2.144 -18.572 514 QE2 GLN 49 QE2 GLN 49 -0.331 0.944 -17.592 515 H GLN 50 HN GLN 50 -2.789 -4.312 -17.312 516 HA GLN 50 HA GLN 50 -5.412 -3.521 -18.129 517 1HB GLN 50 2HB GLN 50 -4.178 -5.723 -18.529 518 2HB GLN 50 3HB GLN 50 -4.580 -6.165 -16.884 519 1HG GLN 50 2HG GLN 50 -7.046 -5.612 -17.601 520 2HG GLN 50 3HG GLN 50 -6.427 -5.807 -19.238 521 1HE2 GLN 50 2HE2 GLN 50 -6.688 -9.298 -18.989 522 2HE2 GLN 50 1HE2 GLN 50 -6.813 -7.908 -19.955 523 QB GLN 50 QB GLN 50 -4.379 -5.944 -17.706 524 QG GLN 50 QG GLN 50 -6.737 -5.710 -18.419 525 QE2 GLN 50 QE2 GLN 50 -6.751 -8.603 -19.472 526 H LYS 51 HN LYS 51 -4.143 -4.474 -14.995 527 HA LYS 51 HA LYS 51 -6.793 -4.418 -13.731 528 1HB LYS 51 2HB LYS 51 -3.998 -4.854 -12.649 529 2HB LYS 51 3HB LYS 51 -5.452 -4.963 -11.681 530 1HG LYS 51 2HG LYS 51 -6.271 -6.662 -13.491 531 2HG LYS 51 3HG LYS 51 -4.595 -6.713 -14.002 532 1HD LYS 51 2HD LYS 51 -5.077 -8.542 -12.406 533 2HD LYS 51 3HD LYS 51 -3.890 -7.426 -11.752 534 1HE LYS 51 2HE LYS 51 -5.704 -8.137 -10.124 535 2HE LYS 51 3HE LYS 51 -5.510 -6.400 -10.290 536 1HZ LYS 51 2HZ LYS 51 -7.355 -7.359 -12.210 537 2HZ LYS 51 3HZ LYS 51 -7.826 -7.890 -10.671 538 3HZ LYS 51 1HZ LYS 51 -7.606 -6.229 -10.967 539 QB LYS 51 QB LYS 51 -4.725 -4.908 -12.165 540 QG LYS 51 QG LYS 51 -5.433 -6.687 -13.746 541 QD LYS 51 QD LYS 51 -4.483 -7.984 -12.079 542 QE LYS 51 QE LYS 51 -5.607 -7.268 -10.207 543 QZ LYS 51 QZ LYS 51 -7.596 -7.159 -11.283 544 H ALA 52 HN ALA 52 -4.005 -2.309 -13.842 545 HA ALA 52 HA ALA 52 -5.242 -0.556 -11.785 546 1HB ALA 52 3HB ALA 52 -2.543 -0.474 -13.144 547 2HB ALA 52 1HB ALA 52 -3.067 0.677 -11.928 548 3HB ALA 52 2HB ALA 52 -2.886 -1.023 -11.504 549 QB ALA 52 QB ALA 52 -2.832 -0.273 -12.192 550 H GLY 53 HN GLY 53 -4.461 -0.532 -15.219 551 1HA GLY 53 1HA GLY 53 -5.212 0.896 -16.917 552 2HA GLY 53 2HA GLY 53 -6.409 1.489 -15.779 553 QA GLY 53 QA GLY 53 -5.810 1.193 -16.348 554 H LYS 54 HN LYS 54 -2.835 1.700 -15.831 555 HA LYS 54 HA LYS 54 -3.159 4.664 -15.501 556 1HB LYS 54 2HB LYS 54 -0.445 3.959 -14.990 557 2HB LYS 54 3HB LYS 54 -1.636 4.516 -13.836 558 1HG LYS 54 2HG LYS 54 -0.766 2.431 -13.012 559 2HG LYS 54 3HG LYS 54 -2.406 2.130 -13.571 560 1HD LYS 54 2HD LYS 54 -1.573 0.464 -14.845 561 2HD LYS 54 3HD LYS 54 -0.837 1.705 -15.839 562 1HE LYS 54 2HE LYS 54 0.484 0.537 -13.366 563 2HE LYS 54 3HE LYS 54 0.769 -0.076 -14.981 564 1HZ LYS 54 1HZ LYS 54 1.150 2.685 -15.100 565 2HZ LYS 54 2HZ LYS 54 1.979 2.140 -13.688 566 3HZ LYS 54 3HZ LYS 54 2.323 1.484 -15.232 567 QB LYS 54 QB LYS 54 -1.040 4.237 -14.413 568 QG LYS 54 QG LYS 54 -1.586 2.281 -13.291 569 QD LYS 54 QD LYS 54 -1.205 1.085 -15.342 570 QE LYS 54 QE LYS 54 0.627 0.230 -14.173 571 QZ LYS 54 QZ LYS 54 1.817 2.103 -14.673 572 HA PRO 55 HA PRO 55 -0.101 5.422 -18.986 573 1HB PRO 55 2HB PRO 55 1.639 6.213 -16.677 574 2HB PRO 55 3HB PRO 55 1.412 7.017 -18.234 575 1HG PRO 55 2HG PRO 55 0.205 7.938 -15.955 576 2HG PRO 55 3HG PRO 55 -0.559 8.085 -17.543 577 1HD PRO 55 2HD PRO 55 -1.269 6.268 -15.291 578 2HD PRO 55 3HD PRO 55 -2.282 6.836 -16.635 579 QB PRO 55 QB PRO 55 1.525 6.615 -17.456 580 QG PRO 55 QG PRO 55 -0.177 8.012 -16.749 581 QD PRO 55 QD PRO 55 -1.776 6.552 -15.963 582 H VAL 56 HN VAL 56 2.251 4.580 -19.303 583 HA VAL 56 HA VAL 56 2.227 1.820 -18.211 584 HB VAL 56 HB VAL 56 3.928 1.322 -19.935 585 1HG1 VAL 56 2HG1 VAL 56 1.511 1.148 -20.430 586 2HG1 VAL 56 3HG1 VAL 56 1.499 2.824 -20.965 587 3HG1 VAL 56 1HG1 VAL 56 2.421 1.622 -21.861 588 1HG2 VAL 56 3HG2 VAL 56 3.595 4.249 -20.706 589 2HG2 VAL 56 1HG2 VAL 56 5.079 3.487 -20.149 590 3HG2 VAL 56 2HG2 VAL 56 4.390 3.033 -21.695 591 QG1 VAL 56 QG1 VAL 56 1.810 1.865 -21.085 592 QG2 VAL 56 QG2 VAL 56 4.354 3.590 -20.850 593 QQG VAL 56 QQG VAL 56 3.082 2.727 -20.968 594 H GLU 57 HN GLU 57 4.717 4.315 -18.702 595 HA GLU 57 HA GLU 57 6.837 3.309 -17.248 596 1HB GLU 57 2HB GLU 57 6.395 6.100 -16.457 597 2HB GLU 57 3HB GLU 57 7.669 5.421 -17.453 598 1HG GLU 57 2HG GLU 57 6.441 7.025 -18.787 599 2HG GLU 57 3HG GLU 57 6.085 5.429 -19.416 600 QB GLU 57 QB GLU 57 7.032 5.761 -16.955 601 QG GLU 57 QG GLU 57 6.263 6.227 -19.101 602 H THR 58 HN THR 58 4.605 5.545 -15.819 603 HA THR 58 HA THR 58 4.815 5.750 -13.266 604 HB THR 58 HB THR 58 2.262 4.706 -14.561 605 HG1 THR 58 1HG THR 58 3.210 6.602 -15.445 606 1HG2 THR 58 3HG2 THR 58 2.673 6.376 -12.027 607 2HG2 THR 58 1HG2 THR 58 1.121 5.958 -12.740 608 3HG2 THR 58 2HG2 THR 58 2.120 4.701 -12.011 609 QG2 THR 58 QG2 THR 58 1.971 5.678 -12.259 610 H VAL 59 HN VAL 59 5.817 4.547 -11.865 611 HA VAL 59 HA VAL 59 4.680 1.939 -11.030 612 HB VAL 59 HB VAL 59 6.883 2.119 -12.722 613 1HG1 VAL 59 2HG1 VAL 59 8.288 3.138 -10.970 614 2HG1 VAL 59 3HG1 VAL 59 7.987 1.765 -9.910 615 3HG1 VAL 59 1HG1 VAL 59 8.885 1.544 -11.407 616 1HG2 VAL 59 3HG2 VAL 59 5.572 0.062 -12.215 617 2HG2 VAL 59 1HG2 VAL 59 7.311 -0.224 -12.229 618 3HG2 VAL 59 2HG2 VAL 59 6.462 -0.106 -10.703 619 QG1 VAL 59 QG1 VAL 59 8.387 2.149 -10.762 620 QG2 VAL 59 QG2 VAL 59 6.448 -0.089 -11.716 621 QQG VAL 59 QQG VAL 59 7.418 1.030 -11.239 622 HA PRO 60 HA PRO 60 5.287 0.519 -9.411 623 1HB PRO 60 2HB PRO 60 4.866 0.016 -6.674 624 2HB PRO 60 3HB PRO 60 6.332 -0.362 -7.576 625 1HG PRO 60 2HG PRO 60 5.993 1.635 -5.515 626 2HG PRO 60 3HG PRO 60 7.462 1.244 -6.422 627 1HD PRO 60 2HD PRO 60 5.611 3.518 -6.796 628 2HD PRO 60 3HD PRO 60 7.256 3.304 -7.423 629 QB PRO 60 QB PRO 60 5.599 -0.173 -7.125 630 QG PRO 60 QG PRO 60 6.728 1.440 -5.969 631 QD PRO 60 QD PRO 60 6.434 3.411 -7.109 632 H GLN 61 HN GLN 61 3.291 -0.591 -7.737 633 HA GLN 61 HA GLN 61 1.162 1.495 -7.840 634 1HB GLN 61 2HB GLN 61 0.620 -1.307 -8.837 635 2HB GLN 61 3HB GLN 61 -0.403 0.106 -8.995 636 1HG GLN 61 2HG GLN 61 2.299 -0.228 -10.378 637 2HG GLN 61 3HG GLN 61 0.751 -0.537 -11.137 638 1HE2 GLN 61 2HE2 GLN 61 0.512 3.340 -10.273 639 2HE2 GLN 61 1HE2 GLN 61 0.195 2.110 -9.149 640 QB GLN 61 QB GLN 61 0.109 -0.601 -8.916 641 QG GLN 61 QG GLN 61 1.525 -0.383 -10.758 642 QE2 GLN 61 QE2 GLN 61 0.353 2.725 -9.711 643 H ILE 62 HN ILE 62 -0.579 1.153 -6.471 644 HA ILE 62 HA ILE 62 -0.140 -0.906 -4.318 645 HB ILE 62 HB ILE 62 -1.294 1.909 -4.056 646 1HG1 ILE 62 2HG1 ILE 62 0.622 1.949 -2.262 647 2HG1 ILE 62 3HG1 ILE 62 1.251 0.564 -3.142 648 1HG2 ILE 62 2HG2 ILE 62 -1.050 -0.299 -1.979 649 2HG2 ILE 62 3HG2 ILE 62 -1.546 1.357 -1.639 650 3HG2 ILE 62 1HG2 ILE 62 -2.553 0.316 -2.644 651 1HD1 ILE 62 2HD1 ILE 62 0.594 3.222 -4.413 652 2HD1 ILE 62 3HD1 ILE 62 2.209 2.709 -3.935 653 3HD1 ILE 62 1HD1 ILE 62 1.359 1.848 -5.197 654 QG1 ILE 62 QG1 ILE 62 0.937 1.256 -2.702 655 QG2 ILE 62 QG2 ILE 62 -1.716 0.458 -2.087 656 QD1 ILE 62 QD1 ILE 62 1.387 2.593 -4.515 657 H PHE 63 HN PHE 63 -1.875 -1.924 -3.598 658 HA PHE 63 HA PHE 63 -4.539 -1.462 -4.891 659 1HB PHE 63 2HB PHE 63 -2.888 -3.988 -4.776 660 2HB PHE 63 3HB PHE 63 -4.639 -4.117 -4.686 661 HD1 PHE 63 1HD PHE 63 -6.042 -3.291 -6.594 662 HD2 PHE 63 2HD PHE 63 -1.795 -3.416 -6.876 663 HE1 PHE 63 1HE PHE 63 -6.202 -3.165 -9.042 664 HE2 PHE 63 2HE PHE 63 -1.962 -3.288 -9.321 665 HZ PHE 63 HZ PHE 63 -4.163 -3.155 -10.414 666 QB PHE 63 QB PHE 63 -3.763 -4.053 -4.731 667 QR PHE 63 QR PHE 63 -4.000 -3.290 -7.958 668 H VAL 64 HN VAL 64 -6.070 -1.301 -3.271 669 HA VAL 64 HA VAL 64 -5.281 -2.501 -0.624 670 HB VAL 64 HB VAL 64 -7.281 -0.267 -1.197 671 1HG1 VAL 64 2HG1 VAL 64 -6.290 -1.489 1.400 672 2HG1 VAL 64 3HG1 VAL 64 -7.043 0.097 1.305 673 3HG1 VAL 64 1HG1 VAL 64 -7.966 -1.323 0.871 674 1HG2 VAL 64 1HG2 VAL 64 -4.835 0.260 -1.532 675 2HG2 VAL 64 2HG2 VAL 64 -5.556 1.180 -0.224 676 3HG2 VAL 64 3HG2 VAL 64 -4.536 -0.216 0.125 677 QG1 VAL 64 QG1 VAL 64 -7.100 -0.905 1.192 678 QG2 VAL 64 QG2 VAL 64 -4.975 0.408 -0.544 679 QQG VAL 64 QQG VAL 64 -6.038 -0.249 0.324 680 H ASP 65 HN ASP 65 -7.811 -2.869 0.513 681 HA ASP 65 HA ASP 65 -8.619 -5.356 -0.289 682 1HB ASP 65 2HB ASP 65 -10.469 -3.211 0.589 683 2HB ASP 65 3HB ASP 65 -10.780 -4.923 0.717 684 QB ASP 65 QB ASP 65 -10.625 -4.067 0.653 685 H GLN 66 HN GLN 66 -8.565 -5.550 -2.285 686 HA GLN 66 HA GLN 66 -9.178 -5.883 -4.512 687 1HB GLN 66 2HB GLN 66 -11.914 -5.554 -3.240 688 2HB GLN 66 3HB GLN 66 -11.648 -6.168 -4.868 689 1HG GLN 66 2HG GLN 66 -10.202 -7.986 -3.896 690 2HG GLN 66 3HG GLN 66 -10.614 -7.400 -2.285 691 1HE2 GLN 66 2HE2 GLN 66 -13.146 -9.877 -4.120 692 2HE2 GLN 66 1HE2 GLN 66 -11.544 -9.630 -4.625 693 QB GLN 66 QB GLN 66 -11.781 -5.861 -4.054 694 QG GLN 66 QG GLN 66 -10.408 -7.693 -3.090 695 QE2 GLN 66 QE2 GLN 66 -12.345 -9.754 -4.373 696 H GLN 67 HN GLN 67 -8.568 -3.121 -3.850 697 HA GLN 67 HA GLN 67 -10.098 -1.847 -6.059 698 1HB GLN 67 2HB GLN 67 -9.817 0.248 -4.526 699 2HB GLN 67 3HB GLN 67 -11.116 -0.873 -4.171 700 1HG GLN 67 2HG GLN 67 -9.451 -2.007 -2.565 701 2HG GLN 67 3HG GLN 67 -8.400 -0.632 -2.836 702 1HE2 GLN 67 2HE2 GLN 67 -11.548 -0.332 -0.346 703 2HE2 GLN 67 1HE2 GLN 67 -11.197 -1.781 -1.172 704 QB GLN 67 QB GLN 67 -10.467 -0.312 -4.349 705 QG GLN 67 QG GLN 67 -8.925 -1.319 -2.701 706 QE2 GLN 67 QE2 GLN 67 -11.372 -1.057 -0.759 707 H HIS 68 HN HIS 68 -8.842 -0.642 -7.494 708 HA HIS 68 HA HIS 68 -5.927 -0.741 -7.061 709 1HB HIS 68 2HB HIS 68 -6.707 -0.985 -9.389 710 2HB HIS 68 3HB HIS 68 -7.565 0.525 -9.297 711 HD1 HIS 68 HD1 HIS 68 -6.201 1.581 -11.165 712 HD2 HIS 68 HD2 HIS 68 -3.787 0.321 -8.077 713 HE1 HIS 68 HE1 HIS 68 -4.032 2.829 -11.394 714 QB HIS 68 QB HIS 68 -7.136 -0.230 -9.343 715 H ILE 69 HN ILE 69 -4.707 1.018 -6.478 716 HA ILE 69 HA ILE 69 -6.271 3.375 -5.522 717 HB ILE 69 HB ILE 69 -3.433 2.664 -4.770 718 1HG1 ILE 69 2HG1 ILE 69 -4.791 0.641 -4.394 719 2HG1 ILE 69 3HG1 ILE 69 -4.303 1.387 -2.892 720 1HG2 ILE 69 3HG2 ILE 69 -5.692 4.104 -3.368 721 2HG2 ILE 69 1HG2 ILE 69 -4.109 3.792 -2.686 722 3HG2 ILE 69 2HG2 ILE 69 -4.269 4.852 -4.079 723 1HD1 ILE 69 2HD1 ILE 69 -7.031 1.777 -4.181 724 2HD1 ILE 69 3HD1 ILE 69 -6.697 0.677 -2.854 725 3HD1 ILE 69 1HD1 ILE 69 -6.519 2.405 -2.619 726 QG1 ILE 69 QG1 ILE 69 -4.547 1.014 -3.643 727 QG2 ILE 69 QG2 ILE 69 -4.690 4.249 -3.377 728 QD1 ILE 69 QD1 ILE 69 -6.749 1.620 -3.218 729 H GLY 70 HN GLY 70 -3.188 2.522 -6.972 730 1HA GLY 70 1HA GLY 70 -2.906 4.016 -9.156 731 2HA GLY 70 2HA GLY 70 -2.830 5.300 -7.954 732 QA GLY 70 QA GLY 70 -2.868 4.658 -8.555 733 H GLY 71 HN GLY 71 -0.694 5.865 -8.073 734 1HA GLY 71 1HA GLY 71 1.363 3.710 -7.910 735 2HA GLY 71 2HA GLY 71 1.668 5.344 -8.467 736 QA GLY 71 QA GLY 71 1.515 4.527 -8.188 737 OH TYR 72 OH TYR 72 5.477 7.774 0.668 738 H TYR 72 HN TYR 72 0.763 6.957 -6.445 739 HA TYR 72 HA TYR 72 1.600 5.872 -3.863 740 1HB TYR 72 2HB TYR 72 3.808 6.250 -4.983 741 2HB TYR 72 3HB TYR 72 3.420 7.955 -5.134 742 HD1 TYR 72 HD2 TYR 72 2.777 5.618 -2.255 743 HD2 TYR 72 HD1 TYR 72 4.895 9.045 -3.642 744 HE1 TYR 72 HE2 TYR 72 3.675 5.985 -0.003 745 HE2 TYR 72 HE1 TYR 72 5.850 9.347 -1.412 746 HH TYR 72 HH TYR 72 5.451 6.899 1.120 747 QB TYR 72 QB TYR 72 3.614 7.102 -5.059 748 QR TYR 72 QR TYR 72 4.299 7.499 -1.828 749 H THR 73 HN THR 73 1.603 9.012 -5.503 750 HA THR 73 HA THR 73 0.672 10.671 -3.455 751 HB THR 73 HB THR 73 -0.507 11.859 -5.546 752 HG1 THR 73 1HG THR 73 -0.737 10.205 -6.958 753 1HG2 THR 73 3HG2 THR 73 1.921 12.335 -4.833 754 2HG2 THR 73 1HG2 THR 73 2.416 11.002 -5.872 755 3HG2 THR 73 2HG2 THR 73 1.663 12.431 -6.574 756 QG2 THR 73 QG2 THR 73 2.000 11.923 -5.760 757 H ASP 74 HN ASP 74 -0.951 8.585 -5.614 758 HA ASP 74 HA ASP 74 -3.670 8.977 -4.923 759 1HB ASP 74 2HB ASP 74 -2.595 6.273 -5.728 760 2HB ASP 74 3HB ASP 74 -4.055 7.096 -6.268 761 QB ASP 74 QB ASP 74 -3.325 6.685 -5.998 762 H PHE 75 HN PHE 75 -1.394 6.428 -3.748 763 HA PHE 75 HA PHE 75 -3.317 5.410 -1.870 764 1HB PHE 75 2HB PHE 75 -1.256 4.110 -2.507 765 2HB PHE 75 3HB PHE 75 -0.297 5.267 -1.582 766 HD1 PHE 75 2HD PHE 75 -3.641 3.643 -0.828 767 HD2 PHE 75 1HD PHE 75 0.411 4.199 0.380 768 HE1 PHE 75 2HE PHE 75 -4.122 2.528 1.284 769 HE2 PHE 75 1HE PHE 75 -0.087 3.060 2.496 770 HZ PHE 75 HZ PHE 75 -2.338 2.217 2.939 771 QB PHE 75 QB PHE 75 -0.776 4.689 -2.044 772 QR PHE 75 QR PHE 75 -1.860 3.357 0.833 773 H ALA 76 HN ALA 76 -0.847 7.912 -1.635 774 HA ALA 76 HA ALA 76 -1.062 8.497 1.123 775 1HB ALA 76 1HB ALA 76 0.537 9.644 -0.403 776 2HB ALA 76 2HB ALA 76 -0.801 10.483 -1.168 777 3HB ALA 76 3HB ALA 76 -0.407 10.815 0.511 778 QB ALA 76 QB ALA 76 -0.224 10.314 -0.353 779 H ALA 77 HN ALA 77 -2.931 9.889 -1.570 780 HA ALA 77 HA ALA 77 -4.817 11.275 0.055 781 1HB ALA 77 1HB ALA 77 -5.218 10.068 -2.717 782 2HB ALA 77 2HB ALA 77 -6.259 11.285 -1.978 783 3HB ALA 77 3HB ALA 77 -4.589 11.678 -2.383 784 QB ALA 77 QB ALA 77 -5.355 11.010 -2.359 785 CH2 TRP 78 CH2 TRP 78 -7.798 2.136 2.764 786 H TRP 78 HN TRP 78 -5.083 8.052 -1.473 787 HA TRP 78 HA TRP 78 -7.590 7.241 -0.548 788 1HB TRP 78 2HB TRP 78 -6.038 5.821 -1.907 789 2HB TRP 78 3HB TRP 78 -5.101 5.507 -0.478 790 HD1 TRP 78 HD1 TRP 78 -8.217 4.360 -2.295 791 HE1 TRP 78 HE1 TRP 78 -9.353 2.514 -1.040 792 HE3 TRP 78 HE3 TRP 78 -5.557 4.551 1.951 793 HZ2 TRP 78 HZ2 TRP 78 -9.326 1.378 1.488 794 HZ3 TRP 78 HZ3 TRP 78 -6.229 3.088 3.836 795 HH2 TRP 78 HH2 TRP 78 -8.045 1.468 3.577 796 QB TRP 78 QB TRP 78 -5.570 5.664 -1.192 797 H VAL 79 HN VAL 79 -4.488 7.015 1.142 798 HA VAL 79 HA VAL 79 -5.461 5.992 3.597 799 HB VAL 79 HB VAL 79 -3.117 7.819 2.939 800 1HG1 VAL 79 1HG1 VAL 79 -3.833 6.534 5.599 801 2HG1 VAL 79 2HG1 VAL 79 -2.260 7.236 5.237 802 3HG1 VAL 79 3HG1 VAL 79 -3.690 8.254 5.276 803 1HG2 VAL 79 1HG2 VAL 79 -3.330 4.877 3.671 804 2HG2 VAL 79 2HG2 VAL 79 -3.029 5.507 2.061 805 3HG2 VAL 79 3HG2 VAL 79 -1.827 5.722 3.328 806 QG1 VAL 79 QG1 VAL 79 -3.261 7.341 5.371 807 QG2 VAL 79 QG2 VAL 79 -2.729 5.368 3.020 808 QQG VAL 79 QQG VAL 79 -2.995 6.355 4.195 809 H LYS 80 HN LYS 80 -4.947 9.363 2.568 810 HA LYS 80 HA LYS 80 -6.459 10.348 4.872 811 1HB LYS 80 2HB LYS 80 -4.504 11.497 3.513 812 2HB LYS 80 3HB LYS 80 -5.787 11.989 2.425 813 1HG LYS 80 2HG LYS 80 -6.573 12.428 5.189 814 2HG LYS 80 3HG LYS 80 -5.053 13.239 4.849 815 1HD LYS 80 2HD LYS 80 -6.012 14.735 3.394 816 2HD LYS 80 3HD LYS 80 -7.156 13.565 2.758 817 1HE LYS 80 2HE LYS 80 -7.371 14.804 5.523 818 2HE LYS 80 3HE LYS 80 -8.221 15.411 4.101 819 1HZ LYS 80 1HZ LYS 80 -8.685 12.665 4.227 820 2HZ LYS 80 2HZ LYS 80 -8.957 13.263 5.783 821 3HZ LYS 80 3HZ LYS 80 -9.797 13.908 4.468 822 QB LYS 80 QB LYS 80 -5.145 11.743 2.969 823 QG LYS 80 QG LYS 80 -5.813 12.833 5.019 824 QD LYS 80 QD LYS 80 -6.584 14.150 3.076 825 QE LYS 80 QE LYS 80 -7.796 15.108 4.812 826 QZ LYS 80 QZ LYS 80 -9.146 13.279 4.826 827 H GLU 81 HN GLU 81 -7.856 8.561 3.043 828 HA GLU 81 HA GLU 81 -10.150 10.288 2.355 829 1HB GLU 81 2HB GLU 81 -8.880 9.641 0.327 830 2HB GLU 81 3HB GLU 81 -8.928 7.963 0.823 831 1HG GLU 81 2HG GLU 81 -11.497 8.185 0.710 832 2HG GLU 81 3HG GLU 81 -11.161 9.663 -0.171 833 QB GLU 81 QB GLU 81 -8.904 8.802 0.575 834 QG GLU 81 QG GLU 81 -11.329 8.924 0.270 835 H ASN 82 HN ASN 82 -9.042 6.992 2.828 836 HA ASN 82 HA ASN 82 -11.683 6.209 3.942 837 1HB ASN 82 2HB ASN 82 -9.285 4.523 3.123 838 2HB ASN 82 3HB ASN 82 -10.835 3.891 3.676 839 1HD2 ASN 82 2HD2 ASN 82 -10.499 5.404 -0.102 840 2HD2 ASN 82 1HD2 ASN 82 -9.208 5.514 1.002 841 QB ASN 82 QB ASN 82 -10.060 4.207 3.399 842 QD2 ASN 82 QD2 ASN 82 -9.853 5.459 0.450 843 H LEU 83 HN LEU 83 -8.463 6.959 5.011 844 HA LEU 83 HA LEU 83 -9.059 5.488 7.543 845 1HB LEU 83 2HB LEU 83 -6.396 6.607 6.648 846 2HB LEU 83 3HB LEU 83 -6.681 5.576 8.038 847 HG LEU 83 HG LEU 83 -7.006 4.829 5.112 848 1HD1 LEU 83 1HD1 LEU 83 -4.708 4.776 6.058 849 2HD1 LEU 83 2HD1 LEU 83 -5.267 3.689 7.322 850 3HD1 LEU 83 3HD1 LEU 83 -5.275 3.164 5.644 851 1HD2 LEU 83 2HD2 LEU 83 -7.701 3.175 7.583 852 2HD2 LEU 83 3HD2 LEU 83 -8.845 3.774 6.386 853 3HD2 LEU 83 1HD2 LEU 83 -7.659 2.566 5.937 854 QB LEU 83 QB LEU 83 -6.538 6.091 7.343 855 QD1 LEU 83 QD1 LEU 83 -5.083 3.877 6.341 856 QD2 LEU 83 QD2 LEU 83 -8.069 3.171 6.635 857 QQD LEU 83 QQD LEU 83 -6.576 3.524 6.488 858 H ASP 84 HN ASP 84 -9.455 8.604 6.412 859 HA ASP 84 HA ASP 84 -8.765 9.708 9.130 860 1HB ASP 84 2HB ASP 84 -9.099 11.928 8.122 861 2HB ASP 84 3HB ASP 84 -7.909 11.007 7.208 862 QB ASP 84 QB ASP 84 -8.504 11.468 7.665 863 H ALA 85 HN ALA 85 -11.017 7.991 8.015 864 HA ALA 85 HA ALA 85 -13.247 9.366 9.416 865 1HB ALA 85 1HB ALA 85 -13.583 9.581 6.941 866 2HB ALA 85 2HB ALA 85 -13.476 7.824 6.800 867 3HB ALA 85 3HB ALA 85 -14.810 8.560 7.685 868 QB ALA 85 QB ALA 85 -13.956 8.655 7.142 Start of MODEL 19 Raw file had 868 H/Q atoms Start of MODEL 19 1 H MET 1 HN MET 1 -8.646 -3.537 7.675 2 HA MET 1 HA MET 1 -8.882 -4.213 4.912 3 1HB MET 1 2HB MET 1 -7.425 -1.885 6.232 4 2HB MET 1 3HB MET 1 -7.911 -1.968 4.548 5 1HG MET 1 2HG MET 1 -10.271 -2.075 5.201 6 2HG MET 1 3HG MET 1 -9.831 -2.092 6.890 7 1HE MET 1 1HE MET 1 -10.570 -0.302 3.783 8 2HE MET 1 2HE MET 1 -10.218 1.400 4.046 9 3HE MET 1 3HE MET 1 -8.898 0.270 3.742 10 QB MET 1 QB MET 1 -7.668 -1.927 5.390 11 QG MET 1 QG MET 1 -10.051 -2.083 6.046 12 QE MET 1 QE MET 1 -9.895 0.456 3.857 13 H GLN 2 HN GLN 2 -7.387 -5.390 3.731 14 HA GLN 2 HA GLN 2 -4.609 -5.514 4.872 15 1HB GLN 2 2HB GLN 2 -5.948 -7.471 2.971 16 2HB GLN 2 3HB GLN 2 -4.415 -7.691 3.795 17 1HG GLN 2 2HG GLN 2 -6.039 -8.938 5.075 18 2HG GLN 2 3HG GLN 2 -5.705 -7.485 6.008 19 1HE2 GLN 2 2HE2 GLN 2 -9.274 -7.664 3.962 20 2HE2 GLN 2 1HE2 GLN 2 -7.957 -8.584 3.409 21 QB GLN 2 QB GLN 2 -5.181 -7.581 3.383 22 QG GLN 2 QG GLN 2 -5.872 -8.212 5.541 23 QE2 GLN 2 QE2 GLN 2 -8.616 -8.124 3.686 24 H THR 3 HN THR 3 -3.413 -3.979 3.820 25 HA THR 3 HA THR 3 -3.915 -3.497 0.954 26 HB THR 3 HB THR 3 -1.959 -2.191 2.909 27 HG1 THR 3 1HG THR 3 -3.663 -0.986 3.245 28 1HG2 THR 3 3HG2 THR 3 -2.791 -1.356 0.087 29 2HG2 THR 3 1HG2 THR 3 -1.729 -0.450 1.155 30 3HG2 THR 3 2HG2 THR 3 -1.196 -1.989 0.486 31 QG2 THR 3 QG2 THR 3 -1.905 -1.265 0.576 32 H VAL 4 HN VAL 4 -2.516 -3.854 -0.657 33 HA VAL 4 HA VAL 4 -0.139 -5.607 -0.164 34 HB VAL 4 HB VAL 4 -2.004 -5.552 -2.565 35 1HG1 VAL 4 3HG1 VAL 4 0.283 -7.408 -1.827 36 2HG1 VAL 4 1HG1 VAL 4 -0.766 -7.602 -3.225 37 3HG1 VAL 4 2HG1 VAL 4 0.306 -6.210 -3.118 38 1HG2 VAL 4 1HG2 VAL 4 -1.772 -7.581 -0.315 39 2HG2 VAL 4 2HG2 VAL 4 -3.138 -6.511 -0.593 40 3HG2 VAL 4 3HG2 VAL 4 -2.764 -7.778 -1.756 41 QG1 VAL 4 QG1 VAL 4 -0.059 -7.074 -2.723 42 QG2 VAL 4 QG2 VAL 4 -2.558 -7.290 -0.888 43 QQG VAL 4 QQG VAL 4 -1.308 -7.182 -1.806 44 H ILE 5 HN ILE 5 1.726 -4.859 -1.032 45 HA ILE 5 HA ILE 5 1.587 -2.386 -2.727 46 HB ILE 5 HB ILE 5 4.002 -3.359 -1.179 47 1HG1 ILE 5 2HG1 ILE 5 2.054 -3.158 0.401 48 2HG1 ILE 5 3HG1 ILE 5 3.373 -2.065 0.755 49 1HG2 ILE 5 2HG2 ILE 5 3.131 -0.621 -2.172 50 2HG2 ILE 5 3HG2 ILE 5 4.581 -0.931 -1.222 51 3HG2 ILE 5 1HG2 ILE 5 4.420 -1.619 -2.835 52 1HD1 ILE 5 2HD1 ILE 5 0.856 -1.323 -0.760 53 2HD1 ILE 5 3HD1 ILE 5 1.183 -0.931 0.925 54 3HD1 ILE 5 1HD1 ILE 5 2.166 -0.220 -0.347 55 QG1 ILE 5 QG1 ILE 5 2.713 -2.611 0.578 56 QG2 ILE 5 QG2 ILE 5 4.044 -1.057 -2.076 57 QD1 ILE 5 QD1 ILE 5 1.402 -0.825 -0.061 58 H PHE 6 HN PHE 6 1.841 -3.039 -4.875 59 HA PHE 6 HA PHE 6 3.640 -5.331 -5.468 60 1HB PHE 6 2HB PHE 6 1.817 -3.690 -7.253 61 2HB PHE 6 3HB PHE 6 2.794 -5.022 -7.821 62 HD1 PHE 6 2HD PHE 6 0.085 -4.194 -5.369 63 HD2 PHE 6 1HD PHE 6 1.934 -7.215 -7.750 64 HE1 PHE 6 2HE PHE 6 -1.771 -5.732 -4.881 65 HE2 PHE 6 1HE PHE 6 0.041 -8.712 -7.310 66 HZ PHE 6 HZ PHE 6 -1.813 -7.971 -5.884 67 QB PHE 6 QB PHE 6 2.306 -4.356 -7.537 68 QR PHE 6 QR PHE 6 0.072 -6.463 -6.327 69 H GLY 7 HN GLY 7 5.705 -4.641 -5.426 70 1HA GLY 7 1HA GLY 7 6.452 -2.320 -7.180 71 2HA GLY 7 2HA GLY 7 7.225 -2.544 -5.612 72 QA GLY 7 QA GLY 7 6.838 -2.432 -6.396 73 NH1 ARG 8 NH1 ARG 8 14.352 -2.030 -7.553 74 NH2 ARG 8 NH2 ARG 8 15.364 -2.653 -9.498 75 H ARG 8 HN ARG 8 9.303 -2.779 -6.924 76 HA ARG 8 HA ARG 8 9.436 -5.561 -8.021 77 1HB ARG 8 2HB ARG 8 11.127 -4.722 -9.683 78 2HB ARG 8 3HB ARG 8 9.501 -4.101 -9.914 79 1HG ARG 8 2HG ARG 8 10.176 -1.969 -9.623 80 2HG ARG 8 3HG ARG 8 10.990 -2.369 -8.123 81 1HD ARG 8 2HD ARG 8 12.182 -2.963 -10.848 82 2HD ARG 8 3HD ARG 8 12.515 -1.485 -9.942 83 HE ARG 8 HE ARG 8 13.070 -4.181 -8.722 84 1HH1 ARG 8 2HH1 ARG 8 13.531 -2.062 -6.970 85 2HH1 ARG 8 1HH1 ARG 8 15.166 -1.537 -7.230 86 1HH2 ARG 8 2HH2 ARG 8 15.294 -3.131 -10.375 87 2HH2 ARG 8 1HH2 ARG 8 16.216 -2.189 -9.256 88 QB ARG 8 QB ARG 8 10.314 -4.412 -9.798 89 QG ARG 8 QG ARG 8 10.583 -2.169 -8.873 90 QD ARG 8 QD ARG 8 12.349 -2.224 -10.395 91 QH1 ARG 8 QH1 ARG 8 14.349 -1.799 -7.100 92 QH2 ARG 8 QH2 ARG 8 15.755 -2.660 -9.816 93 H SER 9 HN SER 9 10.131 -4.579 -5.389 94 HA SER 9 HA SER 9 11.715 -5.098 -3.757 95 1HB SER 9 2HB SER 9 13.366 -6.395 -5.969 96 2HB SER 9 3HB SER 9 13.425 -6.735 -4.233 97 HG SER 9 HG SER 9 10.926 -6.877 -5.503 98 QB SER 9 QB SER 9 13.396 -6.565 -5.101 99 H GLY 10 HN GLY 10 14.130 -4.745 -3.330 100 1HA GLY 10 1HA GLY 10 15.401 -2.720 -2.899 101 2HA GLY 10 2HA GLY 10 16.151 -3.468 -4.288 102 QA GLY 10 QA GLY 10 15.776 -3.094 -3.594 103 H CYS 11 HN CYS 11 13.231 -1.416 -3.941 104 HA CYS 11 HA CYS 11 14.558 0.554 -5.750 105 1HB CYS 11 2HB CYS 11 12.025 0.978 -6.446 106 2HB CYS 11 3HB CYS 11 13.063 -0.103 -7.320 107 QB CYS 11 QB CYS 11 12.544 0.438 -6.883 108 HA PRO 12 HA PRO 12 13.813 2.729 -1.859 109 1HB PRO 12 2HB PRO 12 14.545 5.003 -3.683 110 2HB PRO 12 3HB PRO 12 15.142 4.632 -2.060 111 1HG PRO 12 2HG PRO 12 16.625 4.093 -4.284 112 2HG PRO 12 3HG PRO 12 16.703 3.072 -2.843 113 1HD PRO 12 2HD PRO 12 15.411 2.511 -5.475 114 2HD PRO 12 3HD PRO 12 16.020 1.366 -4.260 115 QB PRO 12 QB PRO 12 14.844 4.818 -2.872 116 QG PRO 12 QG PRO 12 16.664 3.583 -3.564 117 QD PRO 12 QD PRO 12 15.715 1.938 -4.868 118 OH TYR 13 OH TYR 13 6.415 8.567 -7.343 119 H TYR 13 HN TYR 13 12.759 3.942 -5.019 120 HA TYR 13 HA TYR 13 10.611 5.574 -4.089 121 1HB TYR 13 2HB TYR 13 11.577 5.344 -6.499 122 2HB TYR 13 3HB TYR 13 10.444 4.011 -6.677 123 HD1 TYR 13 HD1 TYR 13 7.944 4.559 -5.951 124 HD2 TYR 13 HD2 TYR 13 10.812 7.531 -6.981 125 HE1 TYR 13 HE1 TYR 13 6.152 6.157 -6.419 126 HE2 TYR 13 HE2 TYR 13 8.998 9.087 -7.527 127 HH TYR 13 HH TYR 13 5.882 8.152 -8.044 128 QB TYR 13 QB TYR 13 11.011 4.677 -6.588 129 QR TYR 13 QR TYR 13 8.477 6.834 -6.719 130 H CYS 14 HN CYS 14 10.666 2.114 -4.964 131 HA CYS 14 HA CYS 14 7.855 1.663 -4.514 132 1HB CYS 14 2HB CYS 14 10.065 -0.325 -3.970 133 2HB CYS 14 3HB CYS 14 8.390 -0.682 -4.276 134 QB CYS 14 QB CYS 14 9.227 -0.504 -4.123 135 H VAL 15 HN VAL 15 10.703 1.225 -2.524 136 HA VAL 15 HA VAL 15 9.651 0.311 -0.125 137 HB VAL 15 HB VAL 15 11.821 2.405 -0.477 138 1HG1 VAL 15 1HG1 VAL 15 10.949 2.319 1.865 139 2HG1 VAL 15 2HG1 VAL 15 11.208 0.579 1.877 140 3HG1 VAL 15 3HG1 VAL 15 12.580 1.673 1.756 141 1HG2 VAL 15 1HG2 VAL 15 12.183 0.241 -1.666 142 2HG2 VAL 15 2HG2 VAL 15 13.301 0.420 -0.321 143 3HG2 VAL 15 3HG2 VAL 15 11.892 -0.624 -0.163 144 QG1 VAL 15 QG1 VAL 15 11.579 1.524 1.833 145 QG2 VAL 15 QG2 VAL 15 12.459 0.012 -0.717 146 QQG VAL 15 QQG VAL 15 12.019 0.768 0.558 147 NH1 ARG 16 NH2 ARG 16 6.570 8.812 -1.919 148 NH2 ARG 16 NH1 ARG 16 7.432 9.499 -3.925 149 H ARG 16 HN ARG 16 9.858 3.750 -1.064 150 HA ARG 16 HA ARG 16 8.812 5.105 1.057 151 1HB ARG 16 2HB ARG 16 7.588 5.422 -1.705 152 2HB ARG 16 3HB ARG 16 7.629 6.629 -0.426 153 1HG ARG 16 2HG ARG 16 10.202 6.370 -0.524 154 2HG ARG 16 3HG ARG 16 9.927 5.546 -2.051 155 1HD ARG 16 2HD ARG 16 9.312 8.417 -1.338 156 2HD ARG 16 3HD ARG 16 10.272 7.801 -2.678 157 HE ARG 16 HE ARG 16 7.983 6.859 -3.532 158 1HH1 ARG 16 2HH2 ARG 16 6.566 8.141 -1.171 159 2HH1 ARG 16 1HH2 ARG 16 5.949 9.595 -1.877 160 1HH2 ARG 16 2HH1 ARG 16 8.054 9.325 -4.688 161 2HH2 ARG 16 1HH1 ARG 16 6.863 10.323 -3.933 162 QB ARG 16 QB ARG 16 7.608 6.025 -1.065 163 QG ARG 16 QG ARG 16 10.065 5.958 -1.287 164 QD ARG 16 QD ARG 16 9.792 8.109 -2.008 165 QH1 ARG 16 QH2 ARG 16 6.257 8.868 -1.524 166 QH2 ARG 16 QH1 ARG 16 7.459 9.824 -4.311 167 H ALA 17 HN ALA 17 6.877 2.965 -0.989 168 HA ALA 17 HA ALA 17 4.305 3.589 0.233 169 1HB ALA 17 1HB ALA 17 5.244 1.115 -1.257 170 2HB ALA 17 2HB ALA 17 3.566 1.481 -0.858 171 3HB ALA 17 3HB ALA 17 4.452 2.507 -1.978 172 QB ALA 17 QB ALA 17 4.421 1.701 -1.364 173 H LYS 18 HN LYS 18 6.733 1.076 0.676 174 HA LYS 18 HA LYS 18 5.401 -0.450 2.658 175 1HB LYS 18 2HB LYS 18 7.383 -1.407 1.793 176 2HB LYS 18 3HB LYS 18 8.300 0.073 1.979 177 1HG LYS 18 2HG LYS 18 7.230 -1.160 4.477 178 2HG LYS 18 3HG LYS 18 8.556 -1.997 3.680 179 1HD LYS 18 2HD LYS 18 9.935 0.022 3.744 180 2HD LYS 18 3HD LYS 18 8.610 0.959 4.395 181 1HE LYS 18 2HE LYS 18 8.566 -0.769 6.314 182 2HE LYS 18 3HE LYS 18 10.170 -1.226 5.756 183 1HZ LYS 18 2HZ LYS 18 10.043 1.586 5.925 184 2HZ LYS 18 3HZ LYS 18 9.443 0.923 7.373 185 3HZ LYS 18 1HZ LYS 18 10.995 0.511 6.834 186 QB LYS 18 QB LYS 18 7.842 -0.667 1.886 187 QG LYS 18 QG LYS 18 7.893 -1.578 4.079 188 QD LYS 18 QD LYS 18 9.273 0.491 4.069 189 QE LYS 18 QE LYS 18 9.368 -0.997 6.035 190 QZ LYS 18 QZ LYS 18 10.160 1.007 6.711 191 H ASP 19 HN ASP 19 7.506 2.381 2.883 192 HA ASP 19 HA ASP 19 7.491 2.636 5.715 193 1HB ASP 19 2HB ASP 19 7.547 4.856 3.638 194 2HB ASP 19 3HB ASP 19 8.070 4.985 5.310 195 QB ASP 19 QB ASP 19 7.808 4.921 4.474 196 H LEU 20 HN LEU 20 5.403 4.283 3.345 197 HA LEU 20 HA LEU 20 3.679 5.463 5.216 198 1HB LEU 20 2HB LEU 20 3.603 5.972 2.824 199 2HB LEU 20 3HB LEU 20 3.021 4.358 2.461 200 HG LEU 20 HG LEU 20 0.911 4.789 3.572 201 1HD1 LEU 20 3HD1 LEU 20 2.132 7.458 4.401 202 2HD1 LEU 20 1HD1 LEU 20 0.450 7.006 4.637 203 3HD1 LEU 20 2HD1 LEU 20 1.716 6.138 5.491 204 1HD2 LEU 20 1HD2 LEU 20 1.177 5.697 1.271 205 2HD2 LEU 20 2HD2 LEU 20 0.074 6.681 2.224 206 3HD2 LEU 20 3HD2 LEU 20 1.727 7.224 1.945 207 QB LEU 20 QB LEU 20 3.312 5.165 2.643 208 QD1 LEU 20 QD1 LEU 20 1.433 6.867 4.843 209 QD2 LEU 20 QD2 LEU 20 0.993 6.534 1.813 210 QQD LEU 20 QQD LEU 20 1.213 6.701 3.328 211 H ALA 21 HN ALA 21 3.081 2.316 3.566 212 HA ALA 21 HA ALA 21 0.776 1.598 5.047 213 1HB ALA 21 2HB ALA 21 1.531 0.312 3.075 214 2HB ALA 21 3HB ALA 21 2.926 -0.268 3.978 215 3HB ALA 21 1HB ALA 21 1.304 -0.752 4.456 216 QB ALA 21 QB ALA 21 1.920 -0.236 3.836 217 H GLU 22 HN GLU 22 4.162 0.967 5.735 218 HA GLU 22 HA GLU 22 3.928 -0.547 8.099 219 1HB GLU 22 2HB GLU 22 6.061 -0.196 6.935 220 2HB GLU 22 3HB GLU 22 6.004 1.521 7.279 221 1HG GLU 22 2HG GLU 22 6.148 1.026 9.722 222 2HG GLU 22 3HG GLU 22 6.251 -0.691 9.344 223 QB GLU 22 QB GLU 22 6.032 0.663 7.107 224 QG GLU 22 QG GLU 22 6.199 0.167 9.533 225 H LYS 23 HN LYS 23 4.424 2.945 7.810 226 HA LYS 23 HA LYS 23 4.107 3.603 10.557 227 1HB LYS 23 2HB LYS 23 4.980 5.045 8.685 228 2HB LYS 23 3HB LYS 23 3.333 5.242 8.111 229 1HG LYS 23 2HG LYS 23 2.689 6.487 10.045 230 2HG LYS 23 3HG LYS 23 4.129 5.988 10.931 231 1HD LYS 23 2HD LYS 23 5.568 7.260 9.423 232 2HD LYS 23 3HD LYS 23 4.219 7.616 8.360 233 1HE LYS 23 2HE LYS 23 4.814 9.544 9.807 234 2HE LYS 23 3HE LYS 23 3.165 8.994 10.075 235 1HZ LYS 23 3HZ LYS 23 4.667 7.528 11.842 236 2HZ LYS 23 1HZ LYS 23 5.328 9.094 11.918 237 3HZ LYS 23 2HZ LYS 23 3.679 8.840 12.195 238 QB LYS 23 QB LYS 23 4.157 5.144 8.398 239 QG LYS 23 QG LYS 23 3.409 6.237 10.488 240 QD LYS 23 QD LYS 23 4.893 7.438 8.891 241 QE LYS 23 QE LYS 23 3.990 9.269 9.941 242 QZ LYS 23 QZ LYS 23 4.558 8.487 11.985 243 H LEU 24 HN LEU 24 1.661 3.746 7.975 244 HA LEU 24 HA LEU 24 -0.522 4.621 9.517 245 1HB LEU 24 2HB LEU 24 -0.536 2.585 7.243 246 2HB LEU 24 3HB LEU 24 -1.965 3.410 7.854 247 HG LEU 24 HG LEU 24 0.471 4.896 6.806 248 1HD1 LEU 24 3HD1 LEU 24 -2.110 4.144 5.385 249 2HD1 LEU 24 1HD1 LEU 24 -0.882 5.227 4.745 250 3HD1 LEU 24 2HD1 LEU 24 -0.509 3.525 5.001 251 1HD2 LEU 24 3HD2 LEU 24 -1.089 6.147 8.320 252 2HD2 LEU 24 1HD2 LEU 24 -1.087 6.782 6.684 253 3HD2 LEU 24 2HD2 LEU 24 -2.411 5.763 7.219 254 QB LEU 24 QB LEU 24 -1.250 2.997 7.548 255 QD1 LEU 24 QD1 LEU 24 -1.167 4.298 5.044 256 QD2 LEU 24 QD2 LEU 24 -1.529 6.231 7.408 257 QQD LEU 24 QQD LEU 24 -1.348 5.265 6.226 258 H SER 25 HN SER 25 0.268 1.206 8.854 259 HA SER 25 HA SER 25 -1.608 -0.182 10.249 260 1HB SER 25 2HB SER 25 1.387 -0.658 10.409 261 2HB SER 25 3HB SER 25 0.133 -1.861 10.788 262 HG SER 25 HG SER 25 0.751 -0.613 8.334 263 QB SER 25 QB SER 25 0.760 -1.259 10.599 264 H ASN 26 HN ASN 26 0.681 1.930 11.823 265 HA ASN 26 HA ASN 26 -0.222 0.964 14.505 266 1HB ASN 26 2HB ASN 26 2.176 1.025 14.385 267 2HB ASN 26 3HB ASN 26 2.173 2.578 13.556 268 1HD2 ASN 26 2HD2 ASN 26 2.361 4.342 16.568 269 2HD2 ASN 26 1HD2 ASN 26 2.702 4.271 14.913 270 QB ASN 26 QB ASN 26 2.174 1.801 13.970 271 QD2 ASN 26 QD2 ASN 26 2.531 4.307 15.741 272 H GLU 27 HN GLU 27 0.360 3.884 12.629 273 HA GLU 27 HA GLU 27 -1.199 5.567 14.492 274 1HB GLU 27 2HB GLU 27 0.381 6.055 11.953 275 2HB GLU 27 3HB GLU 27 -0.530 7.331 12.732 276 1HG GLU 27 2HG GLU 27 0.833 7.218 14.712 277 2HG GLU 27 3HG GLU 27 1.514 5.664 14.240 278 QB GLU 27 QB GLU 27 -0.075 6.693 12.343 279 QG GLU 27 QG GLU 27 1.174 6.441 14.476 280 NH1 ARG 28 NH2 ARG 28 -7.043 7.227 10.030 281 NH2 ARG 28 NH1 ARG 28 -5.547 8.615 8.967 282 H ARG 28 HN ARG 28 -2.746 3.539 13.205 283 HA ARG 28 HA ARG 28 -4.671 5.289 11.810 284 1HB ARG 28 2HB ARG 28 -2.964 4.055 10.223 285 2HB ARG 28 3HB ARG 28 -4.010 2.673 10.488 286 1HG ARG 28 2HG ARG 28 -4.981 3.639 8.597 287 2HG ARG 28 3HG ARG 28 -5.933 4.403 9.862 288 1HD ARG 28 2HD ARG 28 -3.397 5.702 8.882 289 2HD ARG 28 3HD ARG 28 -4.913 5.928 8.013 290 HE ARG 28 HE ARG 28 -4.365 6.828 10.806 291 1HH1 ARG 28 2HH2 ARG 28 -7.231 6.375 10.551 292 2HH1 ARG 28 1HH2 ARG 28 -7.809 7.839 9.779 293 1HH2 ARG 28 2HH1 ARG 28 -4.605 8.786 8.688 294 2HH2 ARG 28 1HH1 ARG 28 -6.270 9.273 8.706 295 QB ARG 28 QB ARG 28 -3.487 3.364 10.355 296 QG ARG 28 QG ARG 28 -5.457 4.021 9.230 297 QD ARG 28 QD ARG 28 -4.155 5.815 8.448 298 QH1 ARG 28 QH2 ARG 28 -7.520 7.107 10.165 299 QH2 ARG 28 QH1 ARG 28 -5.438 9.029 8.697 300 H ASP 29 HN ASP 29 -6.119 2.978 10.793 301 HA ASP 29 HA ASP 29 -7.420 2.120 13.332 302 1HB ASP 29 2HB ASP 29 -8.580 2.494 10.546 303 2HB ASP 29 3HB ASP 29 -9.494 2.030 11.981 304 QB ASP 29 QB ASP 29 -9.037 2.262 11.263 305 H ASP 30 HN ASP 30 -8.922 0.453 11.015 306 HA ASP 30 HA ASP 30 -7.473 -2.033 11.629 307 1HB ASP 30 2HB ASP 30 -9.864 -2.294 11.524 308 2HB ASP 30 3HB ASP 30 -9.957 -1.434 9.997 309 QB ASP 30 QB ASP 30 -9.910 -1.864 10.760 310 H PHE 31 HN PHE 31 -5.594 -0.864 10.604 311 HA PHE 31 HA PHE 31 -5.556 -1.354 7.652 312 1HB PHE 31 2HB PHE 31 -5.104 0.995 8.447 313 2HB PHE 31 3HB PHE 31 -3.674 0.391 9.279 314 HD1 PHE 31 1HD PHE 31 -1.778 -0.544 7.972 315 HD2 PHE 31 2HD PHE 31 -5.141 1.182 6.015 316 HE1 PHE 31 1HE PHE 31 -0.490 -0.408 5.898 317 HE2 PHE 31 2HE PHE 31 -3.884 1.221 3.902 318 HZ PHE 31 HZ PHE 31 -1.542 0.464 3.845 319 QB PHE 31 QB PHE 31 -4.389 0.693 8.863 320 QR PHE 31 QR PHE 31 -2.823 0.363 5.947 321 H GLN 32 HN GLN 32 -4.659 -3.209 7.128 322 HA GLN 32 HA GLN 32 -2.199 -4.142 8.560 323 1HB GLN 32 2HB GLN 32 -4.302 -5.787 7.081 324 2HB GLN 32 3HB GLN 32 -2.918 -6.437 7.948 325 1HG GLN 32 2HG GLN 32 -3.823 -5.709 10.080 326 2HG GLN 32 3HG GLN 32 -5.093 -4.780 9.289 327 1HE2 GLN 32 2HE2 GLN 32 -7.201 -7.591 9.518 328 2HE2 GLN 32 1HE2 GLN 32 -7.012 -5.924 9.785 329 QB GLN 32 QB GLN 32 -3.610 -6.112 7.515 330 QG GLN 32 QG GLN 32 -4.458 -5.245 9.684 331 QE2 GLN 32 QE2 GLN 32 -7.107 -6.758 9.652 332 OH TYR 33 OH TYR 33 5.106 -2.624 7.279 333 H TYR 33 HN TYR 33 -0.615 -5.193 6.948 334 HA TYR 33 HA TYR 33 -1.244 -4.819 4.123 335 1HB TYR 33 2HB TYR 33 0.248 -3.080 3.571 336 2HB TYR 33 3HB TYR 33 -0.591 -2.507 5.004 337 HD1 TYR 33 HD1 TYR 33 0.581 -2.835 7.292 338 HD2 TYR 33 HD2 TYR 33 2.617 -3.323 3.576 339 HE1 TYR 33 HE1 TYR 33 2.729 -2.530 8.426 340 HE2 TYR 33 HE2 TYR 33 4.763 -3.018 4.724 341 HH TYR 33 HH TYR 33 4.995 -2.921 8.184 342 QB TYR 33 QB TYR 33 -0.171 -2.793 4.287 343 QR TYR 33 QR TYR 33 2.673 -2.926 6.004 344 H GLN 34 HN GLN 34 0.194 -5.675 2.708 345 HA GLN 34 HA GLN 34 2.548 -7.143 3.797 346 1HB GLN 34 2HB GLN 34 1.981 -9.041 2.427 347 2HB GLN 34 3HB GLN 34 0.513 -8.617 3.285 348 1HG GLN 34 2HG GLN 34 -0.295 -7.375 1.301 349 2HG GLN 34 3HG GLN 34 1.184 -7.761 0.432 350 1HE2 GLN 34 1HE2 GLN 34 0.042 -10.952 -0.526 351 2HE2 GLN 34 2HE2 GLN 34 1.245 -9.766 -0.673 352 QB GLN 34 QB GLN 34 1.247 -8.829 2.856 353 QG GLN 34 QG GLN 34 0.445 -7.568 0.867 354 QE2 GLN 34 QE2 GLN 34 0.643 -10.359 -0.599 355 OH TYR 35 OH TYR 35 8.436 -3.483 -3.721 356 H TYR 35 HN TYR 35 4.133 -7.657 2.012 357 HA TYR 35 HA TYR 35 4.075 -5.488 -0.057 358 1HB TYR 35 2HB TYR 35 5.958 -5.318 1.624 359 2HB TYR 35 3HB TYR 35 6.531 -6.890 1.070 360 HD1 TYR 35 HD1 TYR 35 7.185 -7.155 -1.381 361 HD2 TYR 35 HD2 TYR 35 6.436 -3.342 0.354 362 HE1 TYR 35 HE1 TYR 35 8.195 -6.081 -3.331 363 HE2 TYR 35 HE2 TYR 35 7.438 -2.261 -1.605 364 HH TYR 35 HH TYR 35 8.460 -4.148 -4.415 365 QB TYR 35 QB TYR 35 6.245 -6.104 1.347 366 QR TYR 35 QR TYR 35 7.313 -4.710 -1.491 367 H VAL 36 HN VAL 36 4.458 -6.085 -2.173 368 HA VAL 36 HA VAL 36 4.921 -8.972 -2.743 369 HB VAL 36 HB VAL 36 2.620 -7.186 -3.458 370 1HG1 VAL 36 1HG1 VAL 36 3.675 -9.309 -5.380 371 2HG1 VAL 36 2HG1 VAL 36 2.133 -8.467 -5.514 372 3HG1 VAL 36 3HG1 VAL 36 3.635 -7.573 -5.689 373 1HG2 VAL 36 3HG2 VAL 36 2.450 -9.088 -1.879 374 2HG2 VAL 36 1HG2 VAL 36 1.412 -9.325 -3.281 375 3HG2 VAL 36 2HG2 VAL 36 2.940 -10.196 -3.155 376 QG1 VAL 36 QG1 VAL 36 3.148 -8.449 -5.527 377 QG2 VAL 36 QG2 VAL 36 2.267 -9.536 -2.772 378 QQG VAL 36 QQG VAL 36 2.707 -8.993 -4.150 379 H ASP 37 HN ASP 37 6.158 -9.334 -4.592 380 HA ASP 37 HA ASP 37 7.348 -6.886 -5.873 381 1HB ASP 37 2HB ASP 37 9.063 -7.806 -4.547 382 2HB ASP 37 3HB ASP 37 8.552 -9.453 -4.862 383 QB ASP 37 QB ASP 37 8.807 -8.629 -4.705 384 H ILE 38 HN ILE 38 7.156 -6.775 -8.008 385 HA ILE 38 HA ILE 38 5.582 -8.625 -9.471 386 HB ILE 38 HB ILE 38 6.332 -7.445 -11.511 387 1HG1 ILE 38 2HG1 ILE 38 8.110 -5.865 -9.634 388 2HG1 ILE 38 3HG1 ILE 38 8.692 -7.162 -10.666 389 1HG2 ILE 38 3HG2 ILE 38 4.526 -6.513 -10.086 390 2HG2 ILE 38 1HG2 ILE 38 5.718 -5.620 -9.148 391 3HG2 ILE 38 2HG2 ILE 38 5.448 -5.220 -10.842 392 1HD1 ILE 38 3HD1 ILE 38 7.807 -5.935 -12.662 393 2HD1 ILE 38 1HD1 ILE 38 7.302 -4.620 -11.607 394 3HD1 ILE 38 2HD1 ILE 38 9.009 -4.990 -11.796 395 QG1 ILE 38 QG1 ILE 38 8.401 -6.513 -10.150 396 QG2 ILE 38 QG2 ILE 38 5.231 -5.784 -10.025 397 QD1 ILE 38 QD1 ILE 38 8.039 -5.182 -12.022 398 NH1 ARG 39 NH2 ARG 39 12.685 -10.429 -6.267 399 NH2 ARG 39 NH1 ARG 39 12.578 -8.495 -7.426 400 H ARG 39 HN ARG 39 8.984 -8.697 -8.749 401 HA ARG 39 HA ARG 39 9.517 -10.642 -10.895 402 1HB ARG 39 2HB ARG 39 11.402 -9.331 -10.414 403 2HB ARG 39 3HB ARG 39 11.099 -9.369 -8.694 404 1HG ARG 39 2HG ARG 39 11.844 -11.680 -8.535 405 2HG ARG 39 3HG ARG 39 11.913 -11.816 -10.281 406 1HD ARG 39 2HD ARG 39 14.175 -11.510 -9.662 407 2HD ARG 39 3HD ARG 39 13.669 -9.911 -10.178 408 HE ARG 39 HE ARG 39 14.889 -10.068 -7.852 409 1HH1 ARG 39 2HH2 ARG 39 13.095 -11.332 -6.135 410 2HH1 ARG 39 1HH2 ARG 39 11.943 -10.110 -5.661 411 1HH2 ARG 39 2HH1 ARG 39 12.855 -7.966 -8.217 412 2HH2 ARG 39 1HH1 ARG 39 11.906 -8.112 -6.775 413 QB ARG 39 QB ARG 39 11.251 -9.350 -9.554 414 QG ARG 39 QG ARG 39 11.878 -11.748 -9.408 415 QD ARG 39 QD ARG 39 13.922 -10.711 -9.920 416 QH1 ARG 39 QH2 ARG 39 12.519 -10.721 -5.898 417 QH2 ARG 39 QH1 ARG 39 12.380 -8.039 -7.496 418 H ALA 40 HN ALA 40 8.868 -10.637 -7.469 419 HA ALA 40 HA ALA 40 9.503 -13.369 -6.908 420 1HB ALA 40 2HB ALA 40 9.156 -11.646 -5.156 421 2HB ALA 40 3HB ALA 40 7.459 -11.533 -5.608 422 3HB ALA 40 1HB ALA 40 8.081 -13.018 -4.900 423 QB ALA 40 QB ALA 40 8.232 -12.065 -5.221 424 H GLU 41 HN GLU 41 6.462 -11.774 -7.766 425 HA GLU 41 HA GLU 41 5.096 -14.372 -7.966 426 1HB GLU 41 2HB GLU 41 3.884 -11.848 -9.045 427 2HB GLU 41 3HB GLU 41 3.104 -13.191 -8.242 428 1HG GLU 41 2HG GLU 41 4.801 -11.042 -6.932 429 2HG GLU 41 3HG GLU 41 3.071 -11.269 -6.758 430 QB GLU 41 QB GLU 41 3.494 -12.519 -8.643 431 QG GLU 41 QG GLU 41 3.936 -11.155 -6.845 432 H GLY 42 HN GLY 42 6.191 -11.829 -10.215 433 1HA GLY 42 1HA GLY 42 7.091 -12.431 -12.428 434 2HA GLY 42 2HA GLY 42 6.020 -13.834 -12.440 435 QA GLY 42 QA GLY 42 6.556 -13.133 -12.434 436 H ILE 43 HN ILE 43 5.646 -10.365 -11.892 437 HA ILE 43 HA ILE 43 3.280 -10.379 -13.730 438 HB ILE 43 HB ILE 43 3.766 -8.369 -11.512 439 1HG1 ILE 43 2HG1 ILE 43 2.040 -10.833 -11.143 440 2HG1 ILE 43 3HG1 ILE 43 3.743 -10.868 -10.724 441 1HG2 ILE 43 3HG2 ILE 43 1.257 -9.408 -12.888 442 2HG2 ILE 43 1HG2 ILE 43 1.291 -8.172 -11.636 443 3HG2 ILE 43 2HG2 ILE 43 2.029 -7.856 -13.199 444 1HD1 ILE 43 1HD1 ILE 43 1.724 -8.888 -9.618 445 2HD1 ILE 43 2HD1 ILE 43 2.363 -10.281 -8.755 446 3HD1 ILE 43 3HD1 ILE 43 3.433 -8.955 -9.191 447 QG1 ILE 43 QG1 ILE 43 2.891 -10.851 -10.934 448 QG2 ILE 43 QG2 ILE 43 1.526 -8.479 -12.575 449 QD1 ILE 43 QD1 ILE 43 2.507 -9.375 -9.188 450 H THR 44 HN THR 44 2.935 -8.423 -14.956 451 HA THR 44 HA THR 44 5.451 -6.883 -15.443 452 HB THR 44 HB THR 44 4.607 -6.642 -17.795 453 HG1 THR 44 1HG THR 44 2.680 -7.422 -18.250 454 1HG2 THR 44 1HG2 THR 44 6.045 -8.639 -17.179 455 2HG2 THR 44 2HG2 THR 44 4.569 -9.535 -16.831 456 3HG2 THR 44 3HG2 THR 44 4.902 -8.989 -18.473 457 QG2 THR 44 QG2 THR 44 5.172 -9.055 -17.494 458 H LYS 45 HN LYS 45 4.846 -4.617 -16.510 459 HA LYS 45 HA LYS 45 3.122 -3.313 -14.561 460 1HB LYS 45 2HB LYS 45 5.138 -2.258 -15.843 461 2HB LYS 45 3HB LYS 45 3.988 -1.996 -17.149 462 1HG LYS 45 2HG LYS 45 3.302 -1.129 -14.325 463 2HG LYS 45 3HG LYS 45 4.324 -0.111 -15.324 464 1HD LYS 45 2HD LYS 45 2.619 0.158 -16.982 465 2HD LYS 45 3HD LYS 45 1.620 -1.099 -16.295 466 1HE LYS 45 2HE LYS 45 2.284 1.537 -14.948 467 2HE LYS 45 3HE LYS 45 0.766 1.144 -15.736 468 1HZ LYS 45 3HZ LYS 45 1.315 -0.862 -13.807 469 2HZ LYS 45 1HZ LYS 45 1.481 0.671 -13.083 470 3HZ LYS 45 2HZ LYS 45 0.029 0.284 -13.862 471 QB LYS 45 QB LYS 45 4.563 -2.127 -16.496 472 QG LYS 45 QG LYS 45 3.813 -0.620 -14.824 473 QD LYS 45 QD LYS 45 2.119 -0.471 -16.639 474 QE LYS 45 QE LYS 45 1.525 1.341 -15.342 475 QZ LYS 45 QZ LYS 45 0.942 0.031 -13.584 476 H GLU 46 HN GLU 46 2.835 -4.143 -17.971 477 HA GLU 46 HA GLU 46 0.296 -2.988 -18.479 478 1HB GLU 46 2HB GLU 46 0.857 -5.689 -19.665 479 2HB GLU 46 3HB GLU 46 0.215 -4.249 -20.434 480 1HG GLU 46 2HG GLU 46 2.384 -4.419 -21.346 481 2HG GLU 46 3HG GLU 46 2.600 -3.244 -20.054 482 QB GLU 46 QB GLU 46 0.536 -4.969 -20.049 483 QG GLU 46 QG GLU 46 2.492 -3.831 -20.700 484 H ASP 47 HN ASP 47 1.065 -6.316 -17.345 485 HA ASP 47 HA ASP 47 -1.600 -7.214 -17.026 486 1HB ASP 47 2HB ASP 47 0.226 -8.779 -16.672 487 2HB ASP 47 3HB ASP 47 0.835 -7.832 -15.317 488 QB ASP 47 QB ASP 47 0.531 -8.306 -15.995 489 H LEU 48 HN LEU 48 0.503 -5.646 -14.599 490 HA LEU 48 HA LEU 48 -1.436 -5.354 -12.585 491 1HB LEU 48 2HB LEU 48 0.863 -3.551 -13.407 492 2HB LEU 48 3HB LEU 48 -0.139 -3.190 -12.005 493 HG LEU 48 HG LEU 48 1.269 -5.859 -12.399 494 1HD1 LEU 48 3HD1 LEU 48 2.927 -4.012 -12.209 495 2HD1 LEU 48 1HD1 LEU 48 2.128 -3.460 -10.743 496 3HD1 LEU 48 2HD1 LEU 48 2.929 -5.026 -10.771 497 1HD2 LEU 48 3HD2 LEU 48 -0.690 -5.848 -10.841 498 2HD2 LEU 48 1HD2 LEU 48 0.818 -6.088 -9.973 499 3HD2 LEU 48 2HD2 LEU 48 0.037 -4.512 -9.955 500 QB LEU 48 QB LEU 48 0.362 -3.370 -12.706 501 QD1 LEU 48 QD1 LEU 48 2.661 -4.166 -11.241 502 QD2 LEU 48 QD2 LEU 48 0.055 -5.483 -10.256 503 QQD LEU 48 QQD LEU 48 1.358 -4.825 -10.749 504 H GLN 49 HN GLN 49 -0.680 -3.117 -15.218 505 HA GLN 49 HA GLN 49 -2.586 -1.157 -14.829 506 1HB GLN 49 2HB GLN 49 -0.863 -1.169 -16.622 507 2HB GLN 49 3HB GLN 49 -1.776 -2.386 -17.488 508 1HG GLN 49 2HG GLN 49 -3.334 0.018 -16.731 509 2HG GLN 49 3HG GLN 49 -2.053 0.272 -17.910 510 1HE2 GLN 49 2HE2 GLN 49 -5.285 -1.997 -18.941 511 2HE2 GLN 49 1HE2 GLN 49 -5.078 -1.467 -17.330 512 QB GLN 49 QB GLN 49 -1.319 -1.777 -17.055 513 QG GLN 49 QG GLN 49 -2.694 0.145 -17.321 514 QE2 GLN 49 QE2 GLN 49 -5.181 -1.732 -18.135 515 H GLN 50 HN GLN 50 -3.074 -4.247 -16.553 516 HA GLN 50 HA GLN 50 -5.858 -3.901 -17.116 517 1HB GLN 50 2HB GLN 50 -4.656 -6.581 -16.354 518 2HB GLN 50 3HB GLN 50 -6.003 -6.279 -17.430 519 1HG GLN 50 2HG GLN 50 -3.062 -5.927 -17.940 520 2HG GLN 50 3HG GLN 50 -4.255 -6.756 -18.917 521 1HE2 GLN 50 2HE2 GLN 50 -3.323 -3.068 -19.911 522 2HE2 GLN 50 1HE2 GLN 50 -2.368 -4.110 -18.961 523 QB GLN 50 QB GLN 50 -5.330 -6.430 -16.892 524 QG GLN 50 QG GLN 50 -3.658 -6.342 -18.429 525 QE2 GLN 50 QE2 GLN 50 -2.846 -3.589 -19.436 526 H LYS 51 HN LYS 51 -4.179 -5.225 -14.349 527 HA LYS 51 HA LYS 51 -6.650 -5.765 -12.891 528 1HB LYS 51 2HB LYS 51 -3.844 -6.357 -12.577 529 2HB LYS 51 3HB LYS 51 -4.525 -5.808 -11.062 530 1HG LYS 51 2HG LYS 51 -6.237 -7.482 -11.078 531 2HG LYS 51 3HG LYS 51 -5.908 -7.925 -12.742 532 1HD LYS 51 2HD LYS 51 -4.176 -8.429 -10.294 533 2HD LYS 51 3HD LYS 51 -4.889 -9.629 -11.363 534 1HE LYS 51 2HE LYS 51 -2.583 -7.753 -11.929 535 2HE LYS 51 3HE LYS 51 -2.608 -9.503 -12.036 536 1HZ LYS 51 1HZ LYS 51 -4.614 -8.566 -13.726 537 2HZ LYS 51 2HZ LYS 51 -3.249 -7.600 -14.027 538 3HZ LYS 51 3HZ LYS 51 -3.115 -9.293 -14.160 539 QB LYS 51 QB LYS 51 -4.184 -6.083 -11.820 540 QG LYS 51 QG LYS 51 -6.073 -7.704 -11.910 541 QD LYS 51 QD LYS 51 -4.533 -9.029 -10.829 542 QE LYS 51 QE LYS 51 -2.595 -8.628 -11.982 543 QZ LYS 51 QZ LYS 51 -3.659 -8.486 -13.971 544 H ALA 52 HN ALA 52 -4.812 -2.998 -13.422 545 HA ALA 52 HA ALA 52 -5.301 -1.788 -10.766 546 1HB ALA 52 1HB ALA 52 -3.861 -0.762 -13.232 547 2HB ALA 52 2HB ALA 52 -3.917 0.073 -11.697 548 3HB ALA 52 3HB ALA 52 -3.107 -1.481 -11.815 549 QB ALA 52 QB ALA 52 -3.628 -0.723 -12.248 550 H GLY 53 HN GLY 53 -6.001 -1.040 -14.155 551 1HA GLY 53 1HA GLY 53 -8.160 -0.223 -14.897 552 2HA GLY 53 2HA GLY 53 -8.492 0.328 -13.259 553 QA GLY 53 QA GLY 53 -8.326 0.052 -14.078 554 H LYS 54 HN LYS 54 -5.787 1.579 -13.092 555 HA LYS 54 HA LYS 54 -6.423 4.015 -14.713 556 1HB LYS 54 2HB LYS 54 -5.147 5.255 -12.935 557 2HB LYS 54 3HB LYS 54 -6.619 4.488 -12.363 558 1HG LYS 54 2HG LYS 54 -5.179 2.508 -11.639 559 2HG LYS 54 3HG LYS 54 -3.772 3.494 -11.987 560 1HD LYS 54 2HD LYS 54 -5.974 4.232 -10.022 561 2HD LYS 54 3HD LYS 54 -4.428 3.529 -9.594 562 1HE LYS 54 2HE LYS 54 -3.323 5.535 -10.737 563 2HE LYS 54 3HE LYS 54 -4.925 6.260 -10.806 564 1HZ LYS 54 2HZ LYS 54 -4.491 5.307 -8.186 565 2HZ LYS 54 3HZ LYS 54 -3.136 6.197 -8.625 566 3HZ LYS 54 1HZ LYS 54 -4.665 6.924 -8.687 567 QB LYS 54 QB LYS 54 -5.883 4.871 -12.649 568 QG LYS 54 QG LYS 54 -4.476 3.001 -11.813 569 QD LYS 54 QD LYS 54 -5.201 3.880 -9.808 570 QE LYS 54 QE LYS 54 -4.124 5.898 -10.771 571 QZ LYS 54 QZ LYS 54 -4.097 6.143 -8.499 572 HA PRO 55 HA PRO 55 -2.468 2.222 -16.480 573 1HB PRO 55 2HB PRO 55 -3.033 3.509 -18.937 574 2HB PRO 55 3HB PRO 55 -3.325 1.808 -18.577 575 1HG PRO 55 2HG PRO 55 -5.255 4.099 -18.576 576 2HG PRO 55 3HG PRO 55 -5.543 2.400 -18.976 577 1HD PRO 55 2HD PRO 55 -6.338 3.513 -16.610 578 2HD PRO 55 3HD PRO 55 -5.870 1.804 -16.735 579 QB PRO 55 QB PRO 55 -3.179 2.659 -18.757 580 QG PRO 55 QG PRO 55 -5.399 3.250 -18.776 581 QD PRO 55 QD PRO 55 -6.104 2.659 -16.673 582 H VAL 56 HN VAL 56 -0.602 3.336 -16.534 583 HA VAL 56 HA VAL 56 0.928 5.097 -16.683 584 HB VAL 56 HB VAL 56 -1.372 6.906 -17.312 585 1HG1 VAL 56 2HG1 VAL 56 1.598 7.114 -17.870 586 2HG1 VAL 56 3HG1 VAL 56 0.385 8.280 -18.384 587 3HG1 VAL 56 1HG1 VAL 56 0.715 8.053 -16.672 588 1HG2 VAL 56 3HG2 VAL 56 -1.291 5.015 -18.927 589 2HG2 VAL 56 1HG2 VAL 56 -0.814 6.523 -19.692 590 3HG2 VAL 56 2HG2 VAL 56 0.411 5.353 -19.218 591 QG1 VAL 56 QG1 VAL 56 0.899 7.816 -17.642 592 QG2 VAL 56 QG2 VAL 56 -0.565 5.630 -19.279 593 QQG VAL 56 QQG VAL 56 0.167 6.723 -18.461 594 H GLU 57 HN GLU 57 0.475 4.297 -14.356 595 HA GLU 57 HA GLU 57 -0.247 6.636 -12.651 596 1HB GLU 57 2HB GLU 57 -0.689 5.016 -10.863 597 2HB GLU 57 3HB GLU 57 -1.575 4.534 -12.296 598 1HG GLU 57 2HG GLU 57 1.156 3.357 -11.958 599 2HG GLU 57 3HG GLU 57 -0.086 2.804 -10.854 600 QB GLU 57 QB GLU 57 -1.132 4.775 -11.579 601 QG GLU 57 QG GLU 57 0.535 3.080 -11.406 602 H THR 58 HN THR 58 1.181 6.192 -10.365 603 HA THR 58 HA THR 58 3.988 6.218 -11.418 604 HB THR 58 HB THR 58 3.256 8.308 -10.158 605 HG1 THR 58 1HG THR 58 5.405 7.922 -10.135 606 1HG2 THR 58 3HG2 THR 58 3.359 6.428 -7.758 607 2HG2 THR 58 1HG2 THR 58 3.229 8.185 -7.693 608 3HG2 THR 58 2HG2 THR 58 1.901 7.233 -8.345 609 QG2 THR 58 QG2 THR 58 2.829 7.282 -7.932 610 H VAL 59 HN VAL 59 5.239 5.716 -8.909 611 HA VAL 59 HA VAL 59 4.645 2.792 -8.714 612 HB VAL 59 HB VAL 59 7.201 4.404 -8.307 613 1HG1 VAL 59 2HG1 VAL 59 7.127 2.531 -6.625 614 2HG1 VAL 59 3HG1 VAL 59 6.889 1.398 -7.950 615 3HG1 VAL 59 1HG1 VAL 59 8.380 2.313 -7.835 616 1HG2 VAL 59 2HG2 VAL 59 6.546 3.901 -10.636 617 2HG2 VAL 59 3HG2 VAL 59 7.989 3.002 -10.181 618 3HG2 VAL 59 1HG2 VAL 59 6.430 2.192 -10.236 619 QG1 VAL 59 QG1 VAL 59 7.465 2.081 -7.470 620 QG2 VAL 59 QG2 VAL 59 6.988 3.032 -10.351 621 QQG VAL 59 QQG VAL 59 7.227 2.556 -8.911 622 HA PRO 60 HA PRO 60 4.982 1.160 -7.619 623 1HB PRO 60 2HB PRO 60 4.354 -0.522 -5.548 624 2HB PRO 60 3HB PRO 60 6.009 0.025 -5.861 625 1HG PRO 60 2HG PRO 60 4.050 0.992 -3.788 626 2HG PRO 60 3HG PRO 60 5.803 0.806 -3.659 627 1HD PRO 60 2HD PRO 60 4.499 3.240 -4.111 628 2HD PRO 60 3HD PRO 60 6.191 2.928 -4.532 629 QB PRO 60 QB PRO 60 5.182 -0.248 -5.704 630 QG PRO 60 QG PRO 60 4.926 0.899 -3.723 631 QD PRO 60 QD PRO 60 5.345 3.084 -4.322 632 H GLN 61 HN GLN 61 3.077 -0.759 -7.113 633 HA GLN 61 HA GLN 61 0.589 0.815 -7.591 634 1HB GLN 61 2HB GLN 61 0.948 -2.166 -7.906 635 2HB GLN 61 3HB GLN 61 -0.250 -1.148 -8.659 636 1HG GLN 61 2HG GLN 61 2.234 0.000 -9.392 637 2HG GLN 61 3HG GLN 61 2.503 -1.731 -9.514 638 1HE2 GLN 61 2HE2 GLN 61 -0.683 -0.653 -11.784 639 2HE2 GLN 61 1HE2 GLN 61 -0.760 -0.581 -10.105 640 QB GLN 61 QB GLN 61 0.349 -1.657 -8.282 641 QG GLN 61 QG GLN 61 2.369 -0.865 -9.453 642 QE2 GLN 61 QE2 GLN 61 -0.722 -0.617 -10.945 643 H ILE 62 HN ILE 62 -0.738 1.071 -5.832 644 HA ILE 62 HA ILE 62 -0.363 -0.839 -3.561 645 HB ILE 62 HB ILE 62 -1.925 1.749 -3.436 646 1HG1 ILE 62 2HG1 ILE 62 0.293 2.363 -4.367 647 2HG1 ILE 62 3HG1 ILE 62 0.093 2.949 -2.730 648 1HG2 ILE 62 1HG2 ILE 62 -0.379 0.124 -1.395 649 2HG2 ILE 62 2HG2 ILE 62 -1.205 1.639 -1.054 650 3HG2 ILE 62 3HG2 ILE 62 -2.125 0.224 -1.546 651 1HD1 ILE 62 1HD1 ILE 62 1.581 0.412 -3.487 652 2HD1 ILE 62 2HD1 ILE 62 2.326 1.953 -3.073 653 3HD1 ILE 62 3HD1 ILE 62 1.414 1.068 -1.860 654 QG1 ILE 62 QG1 ILE 62 0.193 2.656 -3.548 655 QG2 ILE 62 QG2 ILE 62 -1.236 0.662 -1.332 656 QD1 ILE 62 QD1 ILE 62 1.774 1.145 -2.806 657 H PHE 63 HN PHE 63 -1.930 -2.127 -3.011 658 HA PHE 63 HA PHE 63 -4.660 -1.836 -4.228 659 1HB PHE 63 2HB PHE 63 -2.806 -4.143 -3.814 660 2HB PHE 63 3HB PHE 63 -4.494 -4.450 -3.426 661 HD1 PHE 63 1HD PHE 63 -6.237 -4.174 -5.147 662 HD2 PHE 63 2HD PHE 63 -2.106 -3.844 -6.138 663 HE1 PHE 63 1HE PHE 63 -6.781 -4.513 -7.513 664 HE2 PHE 63 2HE PHE 63 -2.651 -4.200 -8.507 665 HZ PHE 63 HZ PHE 63 -4.993 -4.500 -9.196 666 QB PHE 63 QB PHE 63 -3.650 -4.297 -3.620 667 QR PHE 63 QR PHE 63 -4.444 -4.183 -6.826 668 H VAL 64 HN VAL 64 -6.030 -1.112 -2.556 669 HA VAL 64 HA VAL 64 -5.133 -1.829 0.213 670 HB VAL 64 HB VAL 64 -7.173 0.191 -0.758 671 1HG1 VAL 64 3HG1 VAL 64 -6.430 -0.656 2.075 672 2HG1 VAL 64 1HG1 VAL 64 -7.414 0.741 1.674 673 3HG1 VAL 64 2HG1 VAL 64 -8.006 -0.869 1.314 674 1HG2 VAL 64 2HG2 VAL 64 -4.693 0.741 -0.839 675 2HG2 VAL 64 3HG2 VAL 64 -5.618 1.787 0.236 676 3HG2 VAL 64 1HG2 VAL 64 -4.633 0.481 0.896 677 QG1 VAL 64 QG1 VAL 64 -7.283 -0.261 1.688 678 QG2 VAL 64 QG2 VAL 64 -4.981 1.003 0.098 679 QQG VAL 64 QQG VAL 64 -6.132 0.371 0.893 680 H ASP 65 HN ASP 65 -5.855 -3.723 0.854 681 HA ASP 65 HA ASP 65 -7.349 -5.363 1.546 682 1HB ASP 65 2HB ASP 65 -8.466 -3.359 2.532 683 2HB ASP 65 3HB ASP 65 -9.434 -3.207 1.076 684 QB ASP 65 QB ASP 65 -8.950 -3.283 1.804 685 H GLN 66 HN GLN 66 -9.511 -3.748 -0.701 686 HA GLN 66 HA GLN 66 -9.459 -6.175 -2.405 687 1HB GLN 66 2HB GLN 66 -11.830 -4.777 -1.180 688 2HB GLN 66 3HB GLN 66 -12.019 -5.695 -2.670 689 1HG GLN 66 2HG GLN 66 -10.644 -6.920 -0.264 690 2HG GLN 66 3HG GLN 66 -12.398 -6.942 -0.408 691 1HE2 GLN 66 2HE2 GLN 66 -12.265 -9.754 -2.509 692 2HE2 GLN 66 1HE2 GLN 66 -13.060 -8.905 -1.272 693 QB GLN 66 QB GLN 66 -11.924 -5.236 -1.925 694 QG GLN 66 QG GLN 66 -11.521 -6.931 -0.336 695 QE2 GLN 66 QE2 GLN 66 -12.662 -9.330 -1.891 696 H GLN 67 HN GLN 67 -9.490 -2.693 -2.425 697 HA GLN 67 HA GLN 67 -10.168 -2.796 -5.326 698 1HB GLN 67 2HB GLN 67 -10.333 -0.198 -4.873 699 2HB GLN 67 3HB GLN 67 -11.686 -1.244 -4.510 700 1HG GLN 67 2HG GLN 67 -9.593 -0.575 -2.422 701 2HG GLN 67 3HG GLN 67 -10.957 0.495 -2.720 702 1HE2 GLN 67 1HE2 GLN 67 -11.521 -2.596 -0.310 703 2HE2 GLN 67 2HE2 GLN 67 -10.002 -1.954 -0.721 704 QB GLN 67 QB GLN 67 -11.009 -0.721 -4.691 705 QG GLN 67 QG GLN 67 -10.275 -0.040 -2.571 706 QE2 GLN 67 QE2 GLN 67 -10.761 -2.275 -0.515 707 H HIS 68 HN HIS 68 -8.915 -1.461 -6.784 708 HA HIS 68 HA HIS 68 -6.073 -1.465 -5.995 709 1HB HIS 68 2HB HIS 68 -6.614 -2.291 -8.228 710 2HB HIS 68 3HB HIS 68 -7.408 -0.789 -8.629 711 HD1 HIS 68 HD1 HIS 68 -5.986 0.859 -9.700 712 HD2 HIS 68 HD2 HIS 68 -3.638 -1.752 -7.548 713 HE1 HIS 68 HE1 HIS 68 -3.596 1.545 -10.084 714 QB HIS 68 QB HIS 68 -7.011 -1.540 -8.428 715 H ILE 69 HN ILE 69 -4.830 0.308 -5.773 716 HA ILE 69 HA ILE 69 -6.251 2.940 -5.843 717 HB ILE 69 HB ILE 69 -3.784 2.361 -4.194 718 1HG1 ILE 69 2HG1 ILE 69 -5.400 0.596 -3.568 719 2HG1 ILE 69 3HG1 ILE 69 -5.236 1.784 -2.293 720 1HG2 ILE 69 3HG2 ILE 69 -6.148 4.228 -3.888 721 2HG2 ILE 69 1HG2 ILE 69 -4.786 4.125 -2.782 722 3HG2 ILE 69 2HG2 ILE 69 -4.539 4.680 -4.433 723 1HD1 ILE 69 3HD1 ILE 69 -7.497 1.793 -4.321 724 2HD1 ILE 69 1HD1 ILE 69 -7.614 1.155 -2.690 725 3HD1 ILE 69 2HD1 ILE 69 -7.328 2.866 -2.943 726 QG1 ILE 69 QG1 ILE 69 -5.318 1.190 -2.931 727 QG2 ILE 69 QG2 ILE 69 -5.158 4.344 -3.701 728 QD1 ILE 69 QD1 ILE 69 -7.479 1.938 -3.318 729 H GLY 70 HN GLY 70 -3.070 1.420 -6.107 730 1HA GLY 70 1HA GLY 70 -1.241 1.835 -7.513 731 2HA GLY 70 2HA GLY 70 -2.418 2.384 -8.676 732 QA GLY 70 QA GLY 70 -1.830 2.110 -8.094 733 H GLY 71 HN GLY 71 0.322 3.305 -7.220 734 1HA GLY 71 1HA GLY 71 1.243 5.464 -7.737 735 2HA GLY 71 2HA GLY 71 -0.358 6.174 -7.612 736 QA GLY 71 QA GLY 71 0.443 5.819 -7.674 737 OH TYR 72 OH TYR 72 5.004 7.354 1.444 738 H TYR 72 HN TYR 72 2.308 6.694 -6.302 739 HA TYR 72 HA TYR 72 1.797 6.187 -3.462 740 1HB TYR 72 2HB TYR 72 4.132 6.375 -4.530 741 2HB TYR 72 3HB TYR 72 3.864 8.116 -4.564 742 HD1 TYR 72 HD1 TYR 72 3.243 9.270 -2.278 743 HD2 TYR 72 HD2 TYR 72 4.698 5.287 -2.548 744 HE1 TYR 72 HE1 TYR 72 3.817 9.311 0.114 745 HE2 TYR 72 HE2 TYR 72 5.172 5.321 -0.177 746 HH TYR 72 HH TYR 72 5.449 6.512 1.646 747 QB TYR 72 QB TYR 72 3.998 7.246 -4.547 748 QR TYR 72 QR TYR 72 4.232 7.297 -1.222 749 H THR 73 HN THR 73 2.077 9.132 -5.493 750 HA THR 73 HA THR 73 1.032 10.855 -3.413 751 HB THR 73 HB THR 73 0.686 12.474 -5.421 752 HG1 THR 73 1HG THR 73 0.360 10.830 -6.939 753 1HG2 THR 73 2HG2 THR 73 2.929 12.335 -4.198 754 2HG2 THR 73 3HG2 THR 73 3.405 11.072 -5.331 755 3HG2 THR 73 1HG2 THR 73 3.095 12.706 -5.911 756 QG2 THR 73 QG2 THR 73 3.143 12.038 -5.147 757 H ASP 74 HN ASP 74 -0.336 8.427 -4.984 758 HA ASP 74 HA ASP 74 -3.068 9.548 -5.233 759 1HB ASP 74 2HB ASP 74 -1.911 8.067 -7.008 760 2HB ASP 74 3HB ASP 74 -2.060 6.741 -5.866 761 QB ASP 74 QB ASP 74 -1.985 7.404 -6.437 762 H PHE 75 HN PHE 75 -1.535 6.571 -4.019 763 HA PHE 75 HA PHE 75 -3.567 5.832 -2.206 764 1HB PHE 75 2HB PHE 75 -1.776 4.289 -2.842 765 2HB PHE 75 3HB PHE 75 -0.570 5.341 -2.113 766 HD1 PHE 75 2HD PHE 75 -3.882 3.974 -0.906 767 HD2 PHE 75 1HD PHE 75 0.289 4.411 -0.185 768 HE1 PHE 75 2HE PHE 75 -4.115 2.757 1.213 769 HE2 PHE 75 1HE PHE 75 0.049 3.210 1.936 770 HZ PHE 75 HZ PHE 75 -2.149 2.357 2.623 771 QB PHE 75 QB PHE 75 -1.173 4.815 -2.478 772 QR PHE 75 QR PHE 75 -1.915 3.588 0.514 773 H ALA 76 HN ALA 76 -0.679 7.816 -1.720 774 HA ALA 76 HA ALA 76 -0.824 8.299 1.030 775 1HB ALA 76 3HB ALA 76 -0.159 10.300 -1.178 776 2HB ALA 76 1HB ALA 76 0.285 10.480 0.516 777 3HB ALA 76 2HB ALA 76 0.982 9.179 -0.445 778 QB ALA 76 QB ALA 76 0.369 9.986 -0.369 779 H ALA 77 HN ALA 77 -2.751 9.753 -1.533 780 HA ALA 77 HA ALA 77 -4.154 11.520 0.398 781 1HB ALA 77 2HB ALA 77 -4.816 10.833 -2.506 782 2HB ALA 77 3HB ALA 77 -5.570 12.110 -1.554 783 3HB ALA 77 1HB ALA 77 -3.867 12.223 -1.991 784 QB ALA 77 QB ALA 77 -4.751 11.722 -2.017 785 CH2 TRP 78 CH2 TRP 78 -8.366 2.863 1.954 786 H TRP 78 HN TRP 78 -4.920 8.718 -1.613 787 HA TRP 78 HA TRP 78 -7.512 8.104 -0.921 788 1HB TRP 78 2HB TRP 78 -6.041 6.665 -2.328 789 2HB TRP 78 3HB TRP 78 -5.208 6.134 -0.898 790 HD1 TRP 78 HD1 TRP 78 -8.281 5.373 -2.972 791 HE1 TRP 78 HE1 TRP 78 -9.730 3.654 -1.871 792 HE3 TRP 78 HE3 TRP 78 -5.802 4.989 1.336 793 HZ2 TRP 78 HZ2 TRP 78 -9.911 2.337 0.581 794 HZ3 TRP 78 HZ3 TRP 78 -6.702 3.522 3.112 795 HH2 TRP 78 HH2 TRP 78 -8.751 2.242 2.742 796 QB TRP 78 QB TRP 78 -5.624 6.400 -1.613 797 H VAL 79 HN VAL 79 -4.649 7.233 0.945 798 HA VAL 79 HA VAL 79 -5.740 6.009 3.189 799 HB VAL 79 HB VAL 79 -3.427 7.988 2.967 800 1HG1 VAL 79 1HG1 VAL 79 -4.223 7.801 5.339 801 2HG1 VAL 79 2HG1 VAL 79 -4.062 6.053 5.225 802 3HG1 VAL 79 3HG1 VAL 79 -2.638 7.072 5.112 803 1HG2 VAL 79 1HG2 VAL 79 -3.245 5.884 1.641 804 2HG2 VAL 79 2HG2 VAL 79 -2.069 5.924 2.946 805 3HG2 VAL 79 3HG2 VAL 79 -3.526 4.949 3.098 806 QG1 VAL 79 QG1 VAL 79 -3.641 6.975 5.226 807 QG2 VAL 79 QG2 VAL 79 -2.947 5.586 2.562 808 QQG VAL 79 QQG VAL 79 -3.294 6.280 3.894 809 H LYS 80 HN LYS 80 -5.444 9.491 2.636 810 HA LYS 80 HA LYS 80 -6.649 10.177 5.177 811 1HB LYS 80 2HB LYS 80 -5.079 11.525 3.504 812 2HB LYS 80 3HB LYS 80 -6.592 12.064 2.815 813 1HG LYS 80 2HG LYS 80 -6.646 12.211 5.747 814 2HG LYS 80 3HG LYS 80 -5.261 13.072 5.107 815 1HD LYS 80 2HD LYS 80 -6.752 14.799 4.955 816 2HD LYS 80 3HD LYS 80 -7.155 14.037 3.424 817 1HE LYS 80 2HE LYS 80 -8.558 13.138 5.936 818 2HE LYS 80 3HE LYS 80 -9.063 14.626 5.155 819 1HZ LYS 80 3HZ LYS 80 -8.865 12.785 3.121 820 2HZ LYS 80 1HZ LYS 80 -9.624 11.968 4.417 821 3HZ LYS 80 2HZ LYS 80 -10.289 13.413 3.827 822 QB LYS 80 QB LYS 80 -5.835 11.794 3.160 823 QG LYS 80 QG LYS 80 -5.954 12.642 5.427 824 QD LYS 80 QD LYS 80 -6.954 14.418 4.189 825 QE LYS 80 QE LYS 80 -8.811 13.882 5.545 826 QZ LYS 80 QZ LYS 80 -9.593 12.722 3.789 827 H GLU 81 HN GLU 81 -7.852 10.555 1.834 828 HA GLU 81 HA GLU 81 -10.485 11.362 2.568 829 1HB GLU 81 2HB GLU 81 -9.282 10.137 0.107 830 2HB GLU 81 3HB GLU 81 -11.029 10.316 0.210 831 1HG GLU 81 2HG GLU 81 -9.884 12.283 -0.874 832 2HG GLU 81 3HG GLU 81 -10.818 12.730 0.547 833 QB GLU 81 QB GLU 81 -10.155 10.227 0.158 834 QG GLU 81 QG GLU 81 -10.351 12.507 -0.164 835 H ASN 82 HN ASN 82 -9.126 8.164 2.519 836 HA ASN 82 HA ASN 82 -11.841 6.992 2.797 837 1HB ASN 82 2HB ASN 82 -9.119 5.732 2.364 838 2HB ASN 82 3HB ASN 82 -10.581 4.793 2.645 839 1HD2 ASN 82 2HD2 ASN 82 -10.115 6.781 -0.899 840 2HD2 ASN 82 1HD2 ASN 82 -9.212 7.255 0.464 841 QB ASN 82 QB ASN 82 -9.850 5.262 2.505 842 QD2 ASN 82 QD2 ASN 82 -9.663 7.018 -0.217 843 H LEU 83 HN LEU 83 -8.871 7.292 4.751 844 HA LEU 83 HA LEU 83 -10.204 5.631 6.836 845 1HB LEU 83 2HB LEU 83 -7.429 6.849 6.909 846 2HB LEU 83 3HB LEU 83 -8.047 5.544 7.916 847 HG LEU 83 HG LEU 83 -7.702 5.422 4.884 848 1HD1 LEU 83 1HD1 LEU 83 -5.587 5.321 6.172 849 2HD1 LEU 83 2HD1 LEU 83 -6.230 3.966 7.090 850 3HD1 LEU 83 3HD1 LEU 83 -5.940 3.802 5.362 851 1HD2 LEU 83 3HD2 LEU 83 -8.593 3.298 6.868 852 2HD2 LEU 83 1HD2 LEU 83 -9.615 4.069 5.663 853 3HD2 LEU 83 2HD2 LEU 83 -8.291 3.034 5.155 854 QB LEU 83 QB LEU 83 -7.738 6.196 7.413 855 QD1 LEU 83 QD1 LEU 83 -5.919 4.363 6.208 856 QD2 LEU 83 QD2 LEU 83 -8.833 3.467 5.895 857 QQD LEU 83 QQD LEU 83 -7.376 3.915 6.052 858 H ASP 84 HN ASP 84 -9.812 8.872 6.031 859 HA ASP 84 HA ASP 84 -10.627 9.713 8.795 860 1HB ASP 84 2HB ASP 84 -9.188 11.388 6.703 861 2HB ASP 84 3HB ASP 84 -9.532 11.860 8.359 862 QB ASP 84 QB ASP 84 -9.360 11.624 7.531 863 H ALA 85 HN ALA 85 -10.777 10.520 5.436 864 HA ALA 85 HA ALA 85 -12.893 10.762 4.200 865 1HB ALA 85 3HB ALA 85 -14.365 10.827 6.222 866 2HB ALA 85 1HB ALA 85 -13.742 12.434 6.590 867 3HB ALA 85 2HB ALA 85 -14.691 12.173 5.131 868 QB ALA 85 QB ALA 85 -14.266 11.811 5.981 Start of MODEL 20 Raw file had 868 H/Q atoms Start of MODEL 20 1 H MET 1 HN MET 1 -10.241 -4.867 4.113 2 HA MET 1 HA MET 1 -8.665 -3.249 3.951 3 1HB MET 1 2HB MET 1 -8.481 -3.519 6.973 4 2HB MET 1 3HB MET 1 -7.844 -2.186 6.026 5 1HG MET 1 2HG MET 1 -10.442 -2.276 5.142 6 2HG MET 1 3HG MET 1 -10.633 -2.789 6.797 7 1HE MET 1 2HE MET 1 -10.467 -0.316 4.306 8 2HE MET 1 3HE MET 1 -10.435 1.257 5.090 9 3HE MET 1 1HE MET 1 -8.920 0.421 4.742 10 QB MET 1 QB MET 1 -8.162 -2.852 6.499 11 QG MET 1 QG MET 1 -10.537 -2.532 5.970 12 QE MET 1 QE MET 1 -9.941 0.454 4.712 13 H GLN 2 HN GLN 2 -7.629 -5.250 3.000 14 HA GLN 2 HA GLN 2 -5.059 -5.891 4.387 15 1HB GLN 2 2HB GLN 2 -6.852 -7.427 2.514 16 2HB GLN 2 3HB GLN 2 -5.124 -7.740 2.457 17 1HG GLN 2 2HG GLN 2 -5.762 -9.277 4.072 18 2HG GLN 2 3HG GLN 2 -5.381 -7.912 5.100 19 1HE2 GLN 2 2HE2 GLN 2 -8.861 -9.448 5.720 20 2HE2 GLN 2 1HE2 GLN 2 -7.375 -10.209 5.409 21 QB GLN 2 QB GLN 2 -5.988 -7.584 2.485 22 QG GLN 2 QG GLN 2 -5.572 -8.594 4.586 23 QE2 GLN 2 QE2 GLN 2 -8.118 -9.828 5.565 24 H THR 3 HN THR 3 -3.837 -4.195 3.710 25 HA THR 3 HA THR 3 -3.972 -3.260 0.952 26 HB THR 3 HB THR 3 -2.114 -2.540 3.241 27 HG1 THR 3 1HG THR 3 -3.966 -1.832 3.904 28 1HG2 THR 3 1HG2 THR 3 -2.861 -1.051 0.686 29 2HG2 THR 3 2HG2 THR 3 -1.837 -0.415 1.965 30 3HG2 THR 3 3HG2 THR 3 -1.286 -1.765 0.981 31 QG2 THR 3 QG2 THR 3 -1.995 -1.077 1.211 32 H VAL 4 HN VAL 4 -2.527 -3.552 -0.669 33 HA VAL 4 HA VAL 4 -0.150 -5.304 -0.158 34 HB VAL 4 HB VAL 4 -1.944 -5.556 -2.589 35 1HG1 VAL 4 3HG1 VAL 4 0.196 -7.343 -1.362 36 2HG1 VAL 4 1HG1 VAL 4 -0.739 -7.732 -2.802 37 3HG1 VAL 4 2HG1 VAL 4 0.381 -6.376 -2.823 38 1HG2 VAL 4 1HG2 VAL 4 -1.965 -7.251 -0.066 39 2HG2 VAL 4 2HG2 VAL 4 -3.261 -6.175 -0.580 40 3HG2 VAL 4 3HG2 VAL 4 -2.867 -7.600 -1.536 41 QG1 VAL 4 QG1 VAL 4 -0.054 -7.150 -2.329 42 QG2 VAL 4 QG2 VAL 4 -2.698 -7.009 -0.727 43 QQG VAL 4 QQG VAL 4 -1.376 -7.079 -1.528 44 H ILE 5 HN ILE 5 1.627 -4.701 -1.165 45 HA ILE 5 HA ILE 5 1.483 -2.510 -3.212 46 HB ILE 5 HB ILE 5 3.927 -3.125 -1.526 47 1HG1 ILE 5 2HG1 ILE 5 2.063 -2.654 0.066 48 2HG1 ILE 5 3HG1 ILE 5 3.299 -1.410 0.083 49 1HG2 ILE 5 1HG2 ILE 5 2.929 -0.676 -3.019 50 2HG2 ILE 5 2HG2 ILE 5 4.402 -0.709 -2.054 51 3HG2 ILE 5 3HG2 ILE 5 4.261 -1.723 -3.489 52 1HD1 ILE 5 3HD1 ILE 5 0.676 -1.222 -1.420 53 2HD1 ILE 5 1HD1 ILE 5 1.034 -0.421 0.102 54 3HD1 ILE 5 2HD1 ILE 5 1.907 0.038 -1.356 55 QG1 ILE 5 QG1 ILE 5 2.681 -2.032 0.075 56 QG2 ILE 5 QG2 ILE 5 3.864 -1.036 -2.854 57 QD1 ILE 5 QD1 ILE 5 1.206 -0.535 -0.891 58 H PHE 6 HN PHE 6 2.143 -3.231 -5.184 59 HA PHE 6 HA PHE 6 3.627 -5.811 -5.372 60 1HB PHE 6 2HB PHE 6 1.892 -4.280 -7.359 61 2HB PHE 6 3HB PHE 6 2.825 -5.702 -7.798 62 HD1 PHE 6 2HD PHE 6 0.146 -4.520 -5.488 63 HD2 PHE 6 1HD PHE 6 1.953 -7.888 -7.374 64 HE1 PHE 6 2HE PHE 6 -1.686 -5.947 -4.697 65 HE2 PHE 6 1HE PHE 6 0.123 -9.313 -6.580 66 HZ PHE 6 HZ PHE 6 -1.701 -8.347 -5.236 67 QB PHE 6 QB PHE 6 2.359 -4.991 -7.579 68 QR PHE 6 QR PHE 6 0.134 -6.917 -6.035 69 H GLY 7 HN GLY 7 5.628 -4.666 -4.848 70 1HA GLY 7 1HA GLY 7 6.604 -2.938 -7.113 71 2HA GLY 7 2HA GLY 7 7.096 -2.677 -5.445 72 QA GLY 7 QA GLY 7 6.850 -2.808 -6.279 73 NH1 ARG 8 NH1 ARG 8 14.837 -3.900 -5.968 74 NH2 ARG 8 NH2 ARG 8 14.756 -2.011 -7.237 75 H ARG 8 HN ARG 8 9.287 -2.952 -5.979 76 HA ARG 8 HA ARG 8 10.043 -5.784 -6.609 77 1HB ARG 8 2HB ARG 8 10.616 -3.705 -8.220 78 2HB ARG 8 3HB ARG 8 11.954 -3.523 -7.104 79 1HG ARG 8 2HG ARG 8 11.568 -6.318 -7.959 80 2HG ARG 8 3HG ARG 8 11.875 -5.241 -9.309 81 1HD ARG 8 2HD ARG 8 13.632 -5.673 -6.882 82 2HD ARG 8 3HD ARG 8 14.013 -6.052 -8.539 83 HE ARG 8 HE ARG 8 14.074 -3.604 -9.002 84 1HH1 ARG 8 2HH1 ARG 8 14.689 -4.884 -5.870 85 2HH1 ARG 8 1HH1 ARG 8 15.192 -3.383 -5.180 86 1HH2 ARG 8 2HH2 ARG 8 14.562 -1.566 -8.109 87 2HH2 ARG 8 1HH2 ARG 8 15.112 -1.461 -6.471 88 QB ARG 8 QB ARG 8 11.285 -3.614 -7.662 89 QG ARG 8 QG ARG 8 11.721 -5.780 -8.634 90 QD ARG 8 QD ARG 8 13.823 -5.862 -7.711 91 QH1 ARG 8 QH1 ARG 8 14.940 -4.134 -5.525 92 QH2 ARG 8 QH2 ARG 8 14.837 -1.514 -7.290 93 H SER 9 HN SER 9 12.453 -6.050 -5.793 94 HA SER 9 HA SER 9 12.414 -5.805 -2.950 95 1HB SER 9 2HB SER 9 15.096 -6.361 -3.934 96 2HB SER 9 3HB SER 9 13.934 -7.480 -3.209 97 HG SER 9 HG SER 9 13.045 -7.885 -5.164 98 QB SER 9 QB SER 9 14.515 -6.920 -3.572 99 H GLY 10 HN GLY 10 12.078 -3.216 -3.379 100 1HA GLY 10 1HA GLY 10 13.215 -1.374 -2.204 101 2HA GLY 10 2HA GLY 10 14.756 -2.053 -2.696 102 QA GLY 10 QA GLY 10 13.985 -1.713 -2.450 103 H CYS 11 HN CYS 11 11.799 -0.638 -4.098 104 HA CYS 11 HA CYS 11 13.570 0.799 -6.035 105 1HB CYS 11 2HB CYS 11 11.284 0.624 -7.439 106 2HB CYS 11 3HB CYS 11 12.564 -0.551 -7.564 107 QB CYS 11 QB CYS 11 11.924 0.037 -7.501 108 HA PRO 12 HA PRO 12 12.286 4.539 -4.576 109 1HB PRO 12 2HB PRO 12 11.296 5.765 -6.985 110 2HB PRO 12 3HB PRO 12 12.889 5.940 -6.251 111 1HG PRO 12 2HG PRO 12 12.088 4.293 -8.575 112 2HG PRO 12 3HG PRO 12 13.703 4.809 -8.084 113 1HD PRO 12 2HD PRO 12 12.741 2.204 -7.847 114 2HD PRO 12 3HD PRO 12 14.085 2.864 -6.892 115 QB PRO 12 QB PRO 12 12.092 5.852 -6.618 116 QG PRO 12 QG PRO 12 12.895 4.551 -8.329 117 QD PRO 12 QD PRO 12 13.413 2.534 -7.370 118 OH TYR 13 OH TYR 13 8.116 10.023 -8.621 119 H TYR 13 HN TYR 13 9.782 3.996 -7.098 120 HA TYR 13 HA TYR 13 7.750 5.097 -5.301 121 1HB TYR 13 2HB TYR 13 7.618 3.926 -8.091 122 2HB TYR 13 3HB TYR 13 6.171 4.396 -7.210 123 HD1 TYR 13 HD2 TYR 13 9.328 5.667 -8.677 124 HD2 TYR 13 HD1 TYR 13 5.645 6.726 -6.807 125 HE1 TYR 13 HE2 TYR 13 9.724 8.029 -9.211 126 HE2 TYR 13 HE1 TYR 13 6.060 9.073 -7.345 127 HH TYR 13 HH TYR 13 8.255 10.082 -9.571 128 QB TYR 13 QB TYR 13 6.894 4.161 -7.650 129 QR TYR 13 QR TYR 13 7.689 7.374 -8.010 130 H CYS 14 HN CYS 14 9.168 2.385 -4.841 131 HA CYS 14 HA CYS 14 6.700 0.745 -4.394 132 1HB CYS 14 2HB CYS 14 9.590 -0.145 -4.155 133 2HB CYS 14 3HB CYS 14 8.180 -1.156 -4.200 134 QB CYS 14 QB CYS 14 8.885 -0.651 -4.177 135 H VAL 15 HN VAL 15 9.764 1.748 -2.997 136 HA VAL 15 HA VAL 15 9.037 1.027 -0.300 137 HB VAL 15 HB VAL 15 11.238 2.876 -1.263 138 1HG1 VAL 15 1HG1 VAL 15 10.809 1.404 1.383 139 2HG1 VAL 15 2HG1 VAL 15 12.239 2.339 0.960 140 3HG1 VAL 15 3HG1 VAL 15 10.688 3.148 1.153 141 1HG2 VAL 15 2HG2 VAL 15 11.345 0.573 -2.200 142 2HG2 VAL 15 3HG2 VAL 15 12.644 0.853 -1.045 143 3HG2 VAL 15 1HG2 VAL 15 11.229 -0.087 -0.573 144 QG1 VAL 15 QG1 VAL 15 11.246 2.297 1.166 145 QG2 VAL 15 QG2 VAL 15 11.739 0.446 -1.273 146 QQG VAL 15 QQG VAL 15 11.492 1.372 -0.053 147 NH1 ARG 16 NH2 ARG 16 8.506 7.510 2.223 148 NH2 ARG 16 NH1 ARG 16 6.674 8.831 2.489 149 H ARG 16 HN ARG 16 9.012 4.022 -2.224 150 HA ARG 16 HA ARG 16 8.075 5.629 0.023 151 1HB ARG 16 2HB ARG 16 9.290 6.167 -2.387 152 2HB ARG 16 3HB ARG 16 7.632 6.624 -2.724 153 1HG ARG 16 2HG ARG 16 9.295 7.652 -0.398 154 2HG ARG 16 3HG ARG 16 8.971 8.531 -1.878 155 1HD ARG 16 2HD ARG 16 7.371 9.388 -0.357 156 2HD ARG 16 3HD ARG 16 6.460 8.213 -1.306 157 HE ARG 16 HE ARG 16 6.303 6.794 0.626 158 1HH1 ARG 16 2HH2 ARG 16 8.970 6.805 1.690 159 2HH1 ARG 16 1HH2 ARG 16 8.904 7.828 3.081 160 1HH2 ARG 16 2HH1 ARG 16 5.765 9.106 2.160 161 2HH2 ARG 16 1HH1 ARG 16 7.016 9.190 3.353 162 QB ARG 16 QB ARG 16 8.461 6.395 -2.556 163 QG ARG 16 QG ARG 16 9.133 8.092 -1.138 164 QD ARG 16 QD ARG 16 6.915 8.800 -0.832 165 QH1 ARG 16 QH2 ARG 16 8.937 7.317 2.385 166 QH2 ARG 16 QH1 ARG 16 6.391 9.148 2.756 167 H ALA 17 HN ALA 17 6.567 3.392 -0.425 168 HA ALA 17 HA ALA 17 3.853 4.490 -0.865 169 1HB ALA 17 3HB ALA 17 4.886 1.893 -2.097 170 2HB ALA 17 1HB ALA 17 3.221 2.443 -2.140 171 3HB ALA 17 2HB ALA 17 4.465 3.340 -3.007 172 QB ALA 17 QB ALA 17 4.191 2.559 -2.415 173 H LYS 18 HN LYS 18 5.822 1.663 -0.081 174 HA LYS 18 HA LYS 18 4.096 0.383 1.701 175 1HB LYS 18 2HB LYS 18 6.269 -0.380 0.645 176 2HB LYS 18 3HB LYS 18 7.121 0.589 1.842 177 1HG LYS 18 2HG LYS 18 5.993 -0.726 3.635 178 2HG LYS 18 3HG LYS 18 5.257 -1.746 2.396 179 1HD LYS 18 2HD LYS 18 7.476 -2.309 1.501 180 2HD LYS 18 3HD LYS 18 8.231 -1.242 2.666 181 1HE LYS 18 2HE LYS 18 6.682 -3.793 3.277 182 2HE LYS 18 3HE LYS 18 8.405 -3.532 3.502 183 1HZ LYS 18 1HZ LYS 18 7.015 -1.499 4.821 184 2HZ LYS 18 2HZ LYS 18 6.327 -2.967 5.329 185 3HZ LYS 18 3HZ LYS 18 7.999 -2.684 5.511 186 QB LYS 18 QB LYS 18 6.695 0.105 1.243 187 QG LYS 18 QG LYS 18 5.625 -1.236 3.016 188 QD LYS 18 QD LYS 18 7.853 -1.776 2.084 189 QE LYS 18 QE LYS 18 7.543 -3.663 3.390 190 QZ LYS 18 QZ LYS 18 7.114 -2.383 5.220 191 H ASP 19 HN ASP 19 6.409 3.025 2.262 192 HA ASP 19 HA ASP 19 6.520 3.191 5.017 193 1HB ASP 19 2HB ASP 19 6.526 5.712 4.662 194 2HB ASP 19 3HB ASP 19 7.658 4.824 3.659 195 QB ASP 19 QB ASP 19 7.092 5.268 4.160 196 H LEU 20 HN LEU 20 3.933 4.426 2.955 197 HA LEU 20 HA LEU 20 2.317 5.472 5.043 198 1HB LEU 20 2HB LEU 20 2.062 5.955 2.639 199 2HB LEU 20 3HB LEU 20 1.504 4.320 2.353 200 HG LEU 20 HG LEU 20 -0.563 4.704 3.437 201 1HD1 LEU 20 2HD1 LEU 20 0.648 7.244 4.616 202 2HD1 LEU 20 3HD1 LEU 20 -1.024 6.734 4.819 203 3HD1 LEU 20 1HD1 LEU 20 0.274 5.777 5.519 204 1HD2 LEU 20 1HD2 LEU 20 0.296 7.298 2.094 205 2HD2 LEU 20 2HD2 LEU 20 -0.347 5.879 1.279 206 3HD2 LEU 20 3HD2 LEU 20 -1.381 6.815 2.356 207 QB LEU 20 QB LEU 20 1.783 5.138 2.496 208 QD1 LEU 20 QD1 LEU 20 -0.034 6.585 4.985 209 QD2 LEU 20 QD2 LEU 20 -0.477 6.664 1.909 210 QQD LEU 20 QQD LEU 20 -0.256 6.625 3.447 211 H ALA 21 HN ALA 21 2.397 2.252 3.587 212 HA ALA 21 HA ALA 21 0.186 1.187 5.076 213 1HB ALA 21 1HB ALA 21 1.128 0.057 3.074 214 2HB ALA 21 2HB ALA 21 2.612 -0.275 3.962 215 3HB ALA 21 3HB ALA 21 1.099 -1.027 4.458 216 QB ALA 21 QB ALA 21 1.613 -0.415 3.831 217 H GLU 22 HN GLU 22 3.701 0.823 5.599 218 HA GLU 22 HA GLU 22 3.639 -0.526 8.065 219 1HB GLU 22 2HB GLU 22 5.572 1.513 6.897 220 2HB GLU 22 3HB GLU 22 5.879 0.662 8.388 221 1HG GLU 22 2HG GLU 22 5.717 -1.504 7.227 222 2HG GLU 22 3HG GLU 22 5.376 -0.665 5.719 223 QB GLU 22 QB GLU 22 5.725 1.087 7.643 224 QG GLU 22 QG GLU 22 5.547 -1.085 6.473 225 H LYS 23 HN LYS 23 3.819 2.939 7.394 226 HA LYS 23 HA LYS 23 3.747 3.883 10.042 227 1HB LYS 23 2HB LYS 23 4.050 5.162 7.808 228 2HB LYS 23 3HB LYS 23 2.298 5.261 7.773 229 1HG LYS 23 2HG LYS 23 2.316 6.385 9.981 230 2HG LYS 23 3HG LYS 23 4.063 6.225 10.058 231 1HD LYS 23 2HD LYS 23 3.740 8.437 9.252 232 2HD LYS 23 3HD LYS 23 4.102 7.504 7.807 233 1HE LYS 23 2HE LYS 23 2.194 8.820 7.237 234 2HE LYS 23 3HE LYS 23 1.570 7.201 7.523 235 1HZ LYS 23 3HZ LYS 23 1.607 8.637 9.959 236 2HZ LYS 23 1HZ LYS 23 0.791 9.539 8.778 237 3HZ LYS 23 2HZ LYS 23 0.295 7.957 9.144 238 QB LYS 23 QB LYS 23 3.174 5.211 7.790 239 QG LYS 23 QG LYS 23 3.190 6.305 10.019 240 QD LYS 23 QD LYS 23 3.921 7.971 8.529 241 QE LYS 23 QE LYS 23 1.882 8.010 7.380 242 QZ LYS 23 QZ LYS 23 0.897 8.711 9.294 243 H LEU 24 HN LEU 24 0.915 3.551 7.843 244 HA LEU 24 HA LEU 24 -1.028 4.147 9.795 245 1HB LEU 24 2HB LEU 24 -1.052 2.598 7.242 246 2HB LEU 24 3HB LEU 24 -2.358 2.236 8.362 247 HG LEU 24 HG LEU 24 -1.607 5.015 7.476 248 1HD1 LEU 24 1HD1 LEU 24 -3.884 3.199 6.589 249 2HD1 LEU 24 2HD1 LEU 24 -3.701 4.884 6.107 250 3HD1 LEU 24 3HD1 LEU 24 -2.516 3.688 5.600 251 1HD2 LEU 24 3HD2 LEU 24 -4.019 3.938 9.012 252 2HD2 LEU 24 1HD2 LEU 24 -2.753 4.955 9.684 253 3HD2 LEU 24 2HD2 LEU 24 -3.842 5.603 8.472 254 QB LEU 24 QB LEU 24 -1.705 2.417 7.802 255 QD1 LEU 24 QD1 LEU 24 -3.367 3.924 6.099 256 QD2 LEU 24 QD2 LEU 24 -3.538 4.832 9.056 257 QQD LEU 24 QQD LEU 24 -3.452 4.378 7.577 258 H SER 25 HN SER 25 0.170 0.924 8.898 259 HA SER 25 HA SER 25 -1.316 -0.530 10.820 260 1HB SER 25 2HB SER 25 1.501 -1.067 9.811 261 2HB SER 25 3HB SER 25 0.529 -2.232 10.731 262 HG SER 25 HG SER 25 -1.132 -1.962 9.134 263 QB SER 25 QB SER 25 1.015 -1.649 10.271 264 H ASN 26 HN ASN 26 1.619 1.364 11.316 265 HA ASN 26 HA ASN 26 1.935 0.420 14.084 266 1HB ASN 26 2HB ASN 26 3.813 1.227 12.521 267 2HB ASN 26 3HB ASN 26 3.248 2.858 12.844 268 1HD2 ASN 26 2HD2 ASN 26 4.938 2.983 15.942 269 2HD2 ASN 26 1HD2 ASN 26 4.150 3.833 14.700 270 QB ASN 26 QB ASN 26 3.530 2.042 12.683 271 QD2 ASN 26 QD2 ASN 26 4.544 3.408 15.321 272 H GLU 27 HN GLU 27 0.692 3.304 12.502 273 HA GLU 27 HA GLU 27 0.153 4.815 14.927 274 1HB GLU 27 2HB GLU 27 -1.022 5.040 12.121 275 2HB GLU 27 3HB GLU 27 -1.255 6.227 13.381 276 1HG GLU 27 2HG GLU 27 1.144 6.719 13.424 277 2HG GLU 27 3HG GLU 27 1.456 5.433 12.262 278 QB GLU 27 QB GLU 27 -1.138 5.633 12.751 279 QG GLU 27 QG GLU 27 1.300 6.076 12.843 280 NH1 ARG 28 NH2 ARG 28 -6.444 2.802 15.288 281 NH2 ARG 28 NH1 ARG 28 -7.978 1.399 14.399 282 H ARG 28 HN ARG 28 -1.687 2.747 12.844 283 HA ARG 28 HA ARG 28 -4.141 2.971 14.483 284 1HB ARG 28 2HB ARG 28 -3.536 1.926 11.703 285 2HB ARG 28 3HB ARG 28 -5.046 1.556 12.485 286 1HG ARG 28 2HG ARG 28 -4.043 4.378 12.018 287 2HG ARG 28 3HG ARG 28 -5.154 3.536 10.945 288 1HD ARG 28 2HD ARG 28 -5.649 4.443 13.783 289 2HD ARG 28 3HD ARG 28 -6.570 4.820 12.345 290 HE ARG 28 HE ARG 28 -7.306 2.396 12.283 291 1HH1 ARG 28 1HH2 ARG 28 -5.785 3.531 15.188 292 2HH1 ARG 28 2HH2 ARG 28 -6.596 2.396 16.194 293 1HH2 ARG 28 2HH1 ARG 28 -8.524 1.104 13.614 294 2HH2 ARG 28 1HH1 ARG 28 -8.095 0.925 15.287 295 QB ARG 28 QB ARG 28 -4.291 1.741 12.094 296 QG ARG 28 QG ARG 28 -4.599 3.957 11.481 297 QD ARG 28 QD ARG 28 -6.109 4.631 13.064 298 QH1 ARG 28 QH2 ARG 28 -6.191 2.963 15.691 299 QH2 ARG 28 QH1 ARG 28 -8.310 1.015 14.451 300 H ASP 29 HN ASP 29 -5.410 0.810 14.408 301 HA ASP 29 HA ASP 29 -3.621 -1.434 15.264 302 1HB ASP 29 2HB ASP 29 -5.487 -2.075 16.825 303 2HB ASP 29 3HB ASP 29 -4.776 -0.517 17.215 304 QB ASP 29 QB ASP 29 -5.132 -1.296 17.020 305 H ASP 30 HN ASP 30 -6.017 -0.430 13.144 306 HA ASP 30 HA ASP 30 -7.025 -3.179 12.654 307 1HB ASP 30 2HB ASP 30 -8.768 -1.910 11.258 308 2HB ASP 30 3HB ASP 30 -8.824 -1.672 12.993 309 QB ASP 30 QB ASP 30 -8.796 -1.791 12.126 310 H PHE 31 HN PHE 31 -5.767 -0.414 10.842 311 HA PHE 31 HA PHE 31 -5.841 -1.391 8.255 312 1HB PHE 31 2HB PHE 31 -5.099 0.879 8.888 313 2HB PHE 31 3HB PHE 31 -3.595 0.214 9.515 314 HD1 PHE 31 2HD PHE 31 -5.570 0.796 6.454 315 HD2 PHE 31 1HD PHE 31 -1.836 -0.502 8.005 316 HE1 PHE 31 2HE PHE 31 -4.623 0.796 4.183 317 HE2 PHE 31 1HE PHE 31 -0.882 -0.484 5.761 318 HZ PHE 31 HZ PHE 31 -2.265 0.199 3.840 319 QB PHE 31 QB PHE 31 -4.347 0.546 9.202 320 QR PHE 31 QR PHE 31 -3.228 0.151 6.101 321 H GLN 32 HN GLN 32 -5.245 -3.389 7.542 322 HA GLN 32 HA GLN 32 -2.698 -4.565 8.524 323 1HB GLN 32 2HB GLN 32 -5.148 -5.690 8.351 324 2HB GLN 32 3HB GLN 32 -4.611 -5.993 6.708 325 1HG GLN 32 2HG GLN 32 -2.897 -6.748 9.082 326 2HG GLN 32 3HG GLN 32 -4.140 -7.805 8.447 327 1HE2 GLN 32 2HE2 GLN 32 -0.601 -7.659 6.564 328 2HE2 GLN 32 1HE2 GLN 32 -0.871 -7.042 8.124 329 QB GLN 32 QB GLN 32 -4.879 -5.841 7.530 330 QG GLN 32 QG GLN 32 -3.518 -7.276 8.764 331 QE2 GLN 32 QE2 GLN 32 -0.736 -7.351 7.344 332 OH TYR 33 OH TYR 33 5.108 -3.663 6.360 333 H TYR 33 HN TYR 33 -1.227 -5.449 6.883 334 HA TYR 33 HA TYR 33 -1.666 -4.869 4.083 335 1HB TYR 33 2HB TYR 33 -0.372 -2.993 3.751 336 2HB TYR 33 3HB TYR 33 -0.883 -2.650 5.397 337 HD1 TYR 33 HD1 TYR 33 0.704 -3.198 7.297 338 HD2 TYR 33 HD2 TYR 33 1.883 -3.482 3.215 339 HE1 TYR 33 HE1 TYR 33 3.056 -3.317 7.978 340 HE2 TYR 33 HE2 TYR 33 4.220 -3.662 3.905 341 HH TYR 33 HH TYR 33 5.121 -4.173 7.182 342 QB TYR 33 QB TYR 33 -0.628 -2.821 4.574 343 QR TYR 33 QR TYR 33 2.466 -3.415 5.599 344 H GLN 34 HN GLN 34 -0.045 -5.633 2.749 345 HA GLN 34 HA GLN 34 2.214 -7.137 3.978 346 1HB GLN 34 2HB GLN 34 0.293 -8.678 3.551 347 2HB GLN 34 3HB GLN 34 0.310 -8.199 1.857 348 1HG GLN 34 2HG GLN 34 2.503 -9.166 1.523 349 2HG GLN 34 3HG GLN 34 2.724 -9.416 3.246 350 1HE2 GLN 34 2HE2 GLN 34 -0.347 -11.783 2.290 351 2HE2 GLN 34 1HE2 GLN 34 -0.497 -10.106 2.463 352 QB GLN 34 QB GLN 34 0.302 -8.439 2.704 353 QG GLN 34 QG GLN 34 2.613 -9.291 2.384 354 QE2 GLN 34 QE2 GLN 34 -0.422 -10.944 2.377 355 OH TYR 35 OH TYR 35 8.329 -3.235 -3.250 356 H TYR 35 HN TYR 35 4.011 -7.456 2.484 357 HA TYR 35 HA TYR 35 3.898 -5.479 0.232 358 1HB TYR 35 2HB TYR 35 5.630 -4.994 2.009 359 2HB TYR 35 3HB TYR 35 6.404 -6.526 1.601 360 HD1 TYR 35 HD1 TYR 35 7.475 -6.828 -0.613 361 HD2 TYR 35 HD2 TYR 35 5.665 -3.119 0.409 362 HE1 TYR 35 HE1 TYR 35 8.544 -5.775 -2.553 363 HE2 TYR 35 HE2 TYR 35 6.729 -2.064 -1.535 364 HH TYR 35 HH TYR 35 9.146 -3.716 -3.458 365 QB TYR 35 QB TYR 35 6.017 -5.760 1.805 366 QR TYR 35 QR TYR 35 7.103 -4.446 -1.073 367 H VAL 36 HN VAL 36 4.365 -6.172 -1.771 368 HA VAL 36 HA VAL 36 5.039 -9.055 -2.108 369 HB VAL 36 HB VAL 36 2.792 -7.329 -3.090 370 1HG1 VAL 36 2HG1 VAL 36 3.949 -9.564 -4.812 371 2HG1 VAL 36 3HG1 VAL 36 2.432 -8.713 -5.094 372 3HG1 VAL 36 1HG1 VAL 36 3.961 -7.849 -5.229 373 1HG2 VAL 36 2HG2 VAL 36 2.507 -9.135 -1.418 374 2HG2 VAL 36 3HG2 VAL 36 1.582 -9.465 -2.878 375 3HG2 VAL 36 1HG2 VAL 36 3.099 -10.316 -2.585 376 QG1 VAL 36 QG1 VAL 36 3.447 -8.709 -5.045 377 QG2 VAL 36 QG2 VAL 36 2.396 -9.639 -2.294 378 QQG VAL 36 QQG VAL 36 2.922 -9.174 -3.669 379 H ASP 37 HN ASP 37 6.426 -9.517 -3.798 380 HA ASP 37 HA ASP 37 7.767 -7.177 -5.104 381 1HB ASP 37 2HB ASP 37 9.166 -8.408 -3.350 382 2HB ASP 37 3HB ASP 37 9.077 -9.826 -4.377 383 QB ASP 37 QB ASP 37 9.121 -9.117 -3.863 384 H ILE 38 HN ILE 38 7.376 -7.204 -7.209 385 HA ILE 38 HA ILE 38 5.939 -9.224 -8.562 386 HB ILE 38 HB ILE 38 6.570 -8.119 -10.658 387 1HG1 ILE 38 2HG1 ILE 38 8.395 -6.357 -9.003 388 2HG1 ILE 38 3HG1 ILE 38 8.979 -7.777 -9.855 389 1HG2 ILE 38 2HG2 ILE 38 4.829 -7.091 -9.215 390 2HG2 ILE 38 3HG2 ILE 38 6.070 -6.170 -8.369 391 3HG2 ILE 38 1HG2 ILE 38 5.738 -5.847 -10.068 392 1HD1 ILE 38 2HD1 ILE 38 8.094 -6.863 -11.990 393 2HD1 ILE 38 3HD1 ILE 38 7.538 -5.428 -11.129 394 3HD1 ILE 38 1HD1 ILE 38 9.262 -5.767 -11.255 395 QG1 ILE 38 QG1 ILE 38 8.687 -7.067 -9.429 396 QG2 ILE 38 QG2 ILE 38 5.545 -6.369 -9.217 397 QD1 ILE 38 QD1 ILE 38 8.298 -6.019 -11.458 398 NH1 ARG 39 NH1 ARG 39 12.025 -11.822 -11.131 399 NH2 ARG 39 NH2 ARG 39 12.414 -13.059 -9.264 400 H ARG 39 HN ARG 39 9.255 -9.111 -7.736 401 HA ARG 39 HA ARG 39 10.161 -10.982 -9.756 402 1HB ARG 39 2HB ARG 39 11.323 -9.785 -7.261 403 2HB ARG 39 3HB ARG 39 12.086 -11.211 -7.910 404 1HG ARG 39 2HG ARG 39 11.673 -9.582 -10.164 405 2HG ARG 39 3HG ARG 39 12.140 -8.460 -8.898 406 1HD ARG 39 2HD ARG 39 14.145 -9.288 -10.059 407 2HD ARG 39 3HD ARG 39 14.136 -9.841 -8.392 408 HE ARG 39 HE ARG 39 14.664 -11.751 -9.939 409 1HH1 ARG 39 2HH1 ARG 39 12.300 -11.066 -11.727 410 2HH1 ARG 39 1HH1 ARG 39 11.209 -12.359 -11.350 411 1HH2 ARG 39 2HH2 ARG 39 12.971 -13.218 -8.449 412 2HH2 ARG 39 1HH2 ARG 39 11.606 -13.635 -9.434 413 QB ARG 39 QB ARG 39 11.705 -10.498 -7.585 414 QG ARG 39 QG ARG 39 11.907 -9.021 -9.531 415 QD ARG 39 QD ARG 39 14.140 -9.564 -9.226 416 QH1 ARG 39 QH1 ARG 39 11.754 -11.713 -11.538 417 QH2 ARG 39 QH2 ARG 39 12.289 -13.427 -8.942 418 H ALA 40 HN ALA 40 9.017 -11.271 -6.436 419 HA ALA 40 HA ALA 40 9.753 -14.094 -6.216 420 1HB ALA 40 1HB ALA 40 9.546 -12.627 -4.216 421 2HB ALA 40 2HB ALA 40 7.827 -12.426 -4.553 422 3HB ALA 40 3HB ALA 40 8.460 -14.010 -4.117 423 QB ALA 40 QB ALA 40 8.611 -13.021 -4.295 424 H GLU 41 HN GLU 41 6.810 -12.242 -6.766 425 HA GLU 41 HA GLU 41 5.158 -14.609 -7.155 426 1HB GLU 41 2HB GLU 41 4.803 -11.646 -7.458 427 2HB GLU 41 3HB GLU 41 3.699 -12.676 -8.355 428 1HG GLU 41 2HG GLU 41 2.839 -12.037 -6.080 429 2HG GLU 41 3HG GLU 41 2.959 -13.774 -6.315 430 QB GLU 41 QB GLU 41 4.251 -12.161 -7.906 431 QG GLU 41 QG GLU 41 2.899 -12.905 -6.198 432 H GLY 42 HN GLY 42 6.770 -12.295 -9.312 433 1HA GLY 42 1HA GLY 42 7.683 -12.865 -11.471 434 2HA GLY 42 2HA GLY 42 6.686 -14.323 -11.484 435 QA GLY 42 QA GLY 42 7.184 -13.594 -11.477 436 H ILE 43 HN ILE 43 6.203 -10.804 -11.240 437 HA ILE 43 HA ILE 43 3.865 -11.130 -13.101 438 HB ILE 43 HB ILE 43 4.320 -8.994 -10.986 439 1HG1 ILE 43 2HG1 ILE 43 3.866 -11.281 -10.070 440 2HG1 ILE 43 3HG1 ILE 43 2.623 -10.106 -9.676 441 1HG2 ILE 43 3HG2 ILE 43 1.941 -9.544 -12.802 442 2HG2 ILE 43 1HG2 ILE 43 1.916 -8.447 -11.430 443 3HG2 ILE 43 2HG2 ILE 43 2.960 -8.109 -12.796 444 1HD1 ILE 43 1HD1 ILE 43 2.452 -12.137 -11.932 445 2HD1 ILE 43 2HD1 ILE 43 1.627 -12.253 -10.386 446 3HD1 ILE 43 3HD1 ILE 43 1.201 -10.969 -11.509 447 QG1 ILE 43 QG1 ILE 43 3.244 -10.694 -9.873 448 QG2 ILE 43 QG2 ILE 43 2.272 -8.700 -12.343 449 QD1 ILE 43 QD1 ILE 43 1.760 -11.787 -11.276 450 H THR 44 HN THR 44 3.353 -9.386 -14.503 451 HA THR 44 HA THR 44 5.724 -7.773 -15.355 452 HB THR 44 HB THR 44 4.342 -8.033 -17.665 453 HG1 THR 44 1HG THR 44 2.708 -9.394 -17.339 454 1HG2 THR 44 2HG2 THR 44 5.747 -10.447 -16.405 455 2HG2 THR 44 3HG2 THR 44 5.519 -10.170 -18.127 456 3HG2 THR 44 1HG2 THR 44 6.608 -9.137 -17.206 457 QG2 THR 44 QG2 THR 44 5.958 -9.918 -17.246 458 H LYS 45 HN LYS 45 5.278 -5.622 -16.093 459 HA LYS 45 HA LYS 45 3.228 -4.221 -14.738 460 1HB LYS 45 2HB LYS 45 5.220 -3.114 -15.796 461 2HB LYS 45 3HB LYS 45 4.482 -3.356 -17.373 462 1HG LYS 45 2HG LYS 45 2.496 -2.159 -15.655 463 2HG LYS 45 3HG LYS 45 3.980 -1.248 -15.443 464 1HD LYS 45 2HD LYS 45 2.798 -0.206 -17.268 465 2HD LYS 45 3HD LYS 45 4.131 -1.104 -17.987 466 1HE LYS 45 2HE LYS 45 2.543 -3.028 -18.344 467 2HE LYS 45 3HE LYS 45 1.242 -1.997 -17.809 468 1HZ LYS 45 1HZ LYS 45 2.643 -0.630 -19.771 469 2HZ LYS 45 2HZ LYS 45 2.403 -2.211 -20.351 470 3HZ LYS 45 3HZ LYS 45 1.064 -1.264 -19.849 471 QB LYS 45 QB LYS 45 4.851 -3.235 -16.584 472 QG LYS 45 QG LYS 45 3.238 -1.703 -15.549 473 QD LYS 45 QD LYS 45 3.464 -0.655 -17.628 474 QE LYS 45 QE LYS 45 1.893 -2.512 -18.076 475 QZ LYS 45 QZ LYS 45 2.037 -1.368 -19.990 476 H GLU 46 HN GLU 46 3.289 -5.378 -18.090 477 HA GLU 46 HA GLU 46 0.876 -4.413 -19.051 478 1HB GLU 46 2HB GLU 46 1.780 -7.280 -19.467 479 2HB GLU 46 3HB GLU 46 0.886 -6.267 -20.592 480 1HG GLU 46 2HG GLU 46 3.801 -6.026 -19.785 481 2HG GLU 46 3HG GLU 46 3.130 -6.225 -21.395 482 QB GLU 46 QB GLU 46 1.333 -6.773 -20.029 483 QG GLU 46 QG GLU 46 3.466 -6.126 -20.590 484 H ASP 47 HN ASP 47 1.219 -7.522 -17.358 485 HA ASP 47 HA ASP 47 -1.520 -8.099 -17.071 486 1HB ASP 47 2HB ASP 47 0.936 -8.753 -15.428 487 2HB ASP 47 3HB ASP 47 -0.629 -9.416 -15.006 488 QB ASP 47 QB ASP 47 0.154 -9.084 -15.217 489 H LEU 48 HN LEU 48 0.645 -6.588 -14.707 490 HA LEU 48 HA LEU 48 -1.201 -5.994 -12.684 491 1HB LEU 48 2HB LEU 48 1.195 -4.419 -13.675 492 2HB LEU 48 3HB LEU 48 0.326 -4.003 -12.208 493 HG LEU 48 HG LEU 48 1.236 -6.834 -12.613 494 1HD1 LEU 48 3HD1 LEU 48 2.934 -4.565 -11.516 495 2HD1 LEU 48 1HD1 LEU 48 3.356 -6.275 -11.461 496 3HD1 LEU 48 2HD1 LEU 48 3.241 -5.451 -13.008 497 1HD2 LEU 48 1HD2 LEU 48 0.860 -5.054 -10.175 498 2HD2 LEU 48 2HD2 LEU 48 -0.263 -6.292 -10.723 499 3HD2 LEU 48 3HD2 LEU 48 1.326 -6.751 -10.127 500 QB LEU 48 QB LEU 48 0.760 -4.211 -12.942 501 QD1 LEU 48 QD1 LEU 48 3.177 -5.430 -11.995 502 QD2 LEU 48 QD2 LEU 48 0.641 -6.032 -10.342 503 QQD LEU 48 QQD LEU 48 1.909 -5.731 -11.168 504 H GLN 49 HN GLN 49 -0.444 -4.076 -15.501 505 HA GLN 49 HA GLN 49 -2.094 -1.847 -15.114 506 1HB GLN 49 2HB GLN 49 -0.444 -2.273 -16.991 507 2HB GLN 49 3HB GLN 49 -1.664 -3.275 -17.760 508 1HG GLN 49 2HG GLN 49 -3.226 -1.246 -17.591 509 2HG GLN 49 3HG GLN 49 -1.793 -0.312 -17.179 510 1HE2 GLN 49 2HE2 GLN 49 -2.481 -1.239 -21.012 511 2HE2 GLN 49 1HE2 GLN 49 -3.632 -1.443 -19.779 512 QB GLN 49 QB GLN 49 -1.054 -2.774 -17.376 513 QG GLN 49 QG GLN 49 -2.509 -0.779 -17.385 514 QE2 GLN 49 QE2 GLN 49 -3.056 -1.341 -20.395 515 H GLN 50 HN GLN 50 -2.868 -4.903 -16.782 516 HA GLN 50 HA GLN 50 -5.560 -4.430 -17.389 517 1HB GLN 50 2HB GLN 50 -4.217 -6.444 -18.023 518 2HB GLN 50 3HB GLN 50 -4.336 -7.018 -16.373 519 1HG GLN 50 2HG GLN 50 -6.019 -8.030 -17.951 520 2HG GLN 50 3HG GLN 50 -6.726 -7.261 -16.535 521 1HE2 GLN 50 2HE2 GLN 50 -8.657 -5.109 -18.523 522 2HE2 GLN 50 1HE2 GLN 50 -8.445 -5.902 -17.037 523 QB GLN 50 QB GLN 50 -4.277 -6.731 -17.198 524 QG GLN 50 QG GLN 50 -6.373 -7.646 -17.243 525 QE2 GLN 50 QE2 GLN 50 -8.551 -5.506 -17.780 526 H LYS 51 HN LYS 51 -4.082 -5.297 -14.400 527 HA LYS 51 HA LYS 51 -6.713 -5.404 -12.987 528 1HB LYS 51 2HB LYS 51 -4.192 -6.703 -12.685 529 2HB LYS 51 3HB LYS 51 -4.443 -5.796 -11.234 530 1HG LYS 51 2HG LYS 51 -6.908 -6.884 -11.404 531 2HG LYS 51 3HG LYS 51 -6.061 -8.061 -12.399 532 1HD LYS 51 2HD LYS 51 -5.896 -8.970 -10.229 533 2HD LYS 51 3HD LYS 51 -4.337 -8.205 -10.479 534 1HE LYS 51 2HE LYS 51 -6.465 -7.550 -8.547 535 2HE LYS 51 3HE LYS 51 -4.748 -7.203 -8.472 536 1HZ LYS 51 1HZ LYS 51 -5.928 -5.577 -10.457 537 2HZ LYS 51 2HZ LYS 51 -6.803 -5.429 -9.044 538 3HZ LYS 51 3HZ LYS 51 -5.139 -5.111 -9.052 539 QB LYS 51 QB LYS 51 -4.317 -6.249 -11.960 540 QG LYS 51 QG LYS 51 -6.484 -7.472 -11.902 541 QD LYS 51 QD LYS 51 -5.116 -8.588 -10.354 542 QE LYS 51 QE LYS 51 -5.607 -7.376 -8.510 543 QZ LYS 51 QZ LYS 51 -5.957 -5.372 -9.518 544 H ALA 52 HN ALA 52 -5.131 -2.938 -13.941 545 HA ALA 52 HA ALA 52 -5.012 -1.521 -11.305 546 1HB ALA 52 3HB ALA 52 -2.908 -1.552 -12.611 547 2HB ALA 52 1HB ALA 52 -3.739 -0.797 -13.962 548 3HB ALA 52 2HB ALA 52 -3.532 0.080 -12.458 549 QB ALA 52 QB ALA 52 -3.393 -0.757 -13.010 550 H GLY 53 HN GLY 53 -6.053 -1.251 -14.633 551 1HA GLY 53 1HA GLY 53 -8.372 -0.412 -15.081 552 2HA GLY 53 2HA GLY 53 -8.116 0.767 -13.791 553 QA GLY 53 QA GLY 53 -8.244 0.177 -14.436 554 H LYS 54 HN LYS 54 -5.795 1.831 -14.216 555 HA LYS 54 HA LYS 54 -6.086 3.249 -16.786 556 1HB LYS 54 2HB LYS 54 -5.787 4.523 -14.663 557 2HB LYS 54 3HB LYS 54 -4.251 3.710 -14.399 558 1HG LYS 54 2HG LYS 54 -3.653 4.664 -16.786 559 2HG LYS 54 3HG LYS 54 -4.987 5.761 -16.472 560 1HD LYS 54 2HD LYS 54 -3.932 6.519 -14.394 561 2HD LYS 54 3HD LYS 54 -2.636 5.347 -14.585 562 1HE LYS 54 2HE LYS 54 -3.194 7.770 -16.327 563 2HE LYS 54 3HE LYS 54 -1.780 7.476 -15.321 564 1HZ LYS 54 1HZ LYS 54 -2.049 5.328 -17.105 565 2HZ LYS 54 2HZ LYS 54 -2.146 6.763 -17.991 566 3HZ LYS 54 3HZ LYS 54 -0.803 6.454 -17.006 567 QB LYS 54 QB LYS 54 -5.019 4.116 -14.531 568 QG LYS 54 QG LYS 54 -4.320 5.212 -16.629 569 QD LYS 54 QD LYS 54 -3.284 5.933 -14.490 570 QE LYS 54 QE LYS 54 -2.487 7.623 -15.824 571 QZ LYS 54 QZ LYS 54 -1.666 6.182 -17.367 572 HA PRO 55 HA PRO 55 -2.248 1.330 -18.377 573 1HB PRO 55 2HB PRO 55 -1.946 3.964 -19.736 574 2HB PRO 55 3HB PRO 55 -1.901 2.336 -20.419 575 1HG PRO 55 2HG PRO 55 -4.046 3.989 -20.772 576 2HG PRO 55 3HG PRO 55 -4.219 2.231 -20.676 577 1HD PRO 55 2HD PRO 55 -4.854 4.308 -18.597 578 2HD PRO 55 3HD PRO 55 -5.631 2.738 -18.893 579 QB PRO 55 QB PRO 55 -1.923 3.150 -20.078 580 QG PRO 55 QG PRO 55 -4.132 3.110 -20.724 581 QD PRO 55 QD PRO 55 -5.243 3.523 -18.745 582 H VAL 56 HN VAL 56 -1.674 1.652 -16.014 583 HA VAL 56 HA VAL 56 -0.316 4.082 -15.219 584 HB VAL 56 HB VAL 56 0.725 2.365 -13.449 585 1HG1 VAL 56 2HG1 VAL 56 -2.225 3.127 -13.525 586 2HG1 VAL 56 3HG1 VAL 56 -1.328 2.658 -12.085 587 3HG1 VAL 56 1HG1 VAL 56 -0.911 4.142 -12.933 588 1HG2 VAL 56 2HG2 VAL 56 -0.062 0.333 -14.667 589 2HG2 VAL 56 3HG2 VAL 56 -0.731 0.442 -13.044 590 3HG2 VAL 56 1HG2 VAL 56 -1.733 0.854 -14.430 591 QG1 VAL 56 QG1 VAL 56 -1.488 3.309 -12.848 592 QG2 VAL 56 QG2 VAL 56 -0.842 0.543 -14.047 593 QQG VAL 56 QQG VAL 56 -1.165 1.926 -13.447 594 H GLU 57 HN GLU 57 0.961 4.437 -17.016 595 HA GLU 57 HA GLU 57 2.921 2.836 -18.176 596 1HB GLU 57 2HB GLU 57 3.919 4.903 -18.965 597 2HB GLU 57 3HB GLU 57 2.179 5.124 -18.928 598 1HG GLU 57 2HG GLU 57 4.175 6.162 -16.879 599 2HG GLU 57 3HG GLU 57 3.238 7.120 -18.010 600 QB GLU 57 QB GLU 57 3.049 5.014 -18.947 601 QG GLU 57 QG GLU 57 3.707 6.641 -17.444 602 H THR 58 HN THR 58 3.046 4.541 -15.149 603 HA THR 58 HA THR 58 5.907 3.902 -14.768 604 HB THR 58 HB THR 58 3.907 5.459 -13.044 605 HG1 THR 58 1HG THR 58 4.302 6.630 -14.806 606 1HG2 THR 58 3HG2 THR 58 6.963 5.370 -12.947 607 2HG2 THR 58 1HG2 THR 58 5.930 6.421 -11.986 608 3HG2 THR 58 2HG2 THR 58 5.911 4.689 -11.706 609 QG2 THR 58 QG2 THR 58 6.268 5.493 -12.213 610 H VAL 59 HN VAL 59 6.508 3.059 -12.562 611 HA VAL 59 HA VAL 59 4.643 0.879 -11.718 612 HB VAL 59 HB VAL 59 7.384 0.838 -12.663 613 1HG1 VAL 59 2HG1 VAL 59 8.068 1.130 -10.302 614 2HG1 VAL 59 3HG1 VAL 59 7.093 -0.261 -9.845 615 3HG1 VAL 59 1HG1 VAL 59 8.484 -0.474 -10.896 616 1HG2 VAL 59 1HG2 VAL 59 5.604 -0.793 -13.236 617 2HG2 VAL 59 2HG2 VAL 59 7.053 -1.589 -12.629 618 3HG2 VAL 59 3HG2 VAL 59 5.649 -1.416 -11.591 619 QG1 VAL 59 QG1 VAL 59 7.882 0.132 -10.348 620 QG2 VAL 59 QG2 VAL 59 6.102 -1.266 -12.485 621 QQG VAL 59 QQG VAL 59 6.992 -0.567 -11.416 622 HA PRO 60 HA PRO 60 4.676 -0.528 -10.216 623 1HB PRO 60 2HB PRO 60 4.289 -1.525 -7.721 624 2HB PRO 60 3HB PRO 60 5.894 -1.475 -8.444 625 1HG PRO 60 2HG PRO 60 4.714 0.273 -6.313 626 2HG PRO 60 3HG PRO 60 6.393 -0.215 -6.548 627 1HD PRO 60 2HD PRO 60 5.220 2.265 -7.343 628 2HD PRO 60 3HD PRO 60 6.836 1.676 -7.781 629 QB PRO 60 QB PRO 60 5.091 -1.500 -8.083 630 QG PRO 60 QG PRO 60 5.554 0.029 -6.430 631 QD PRO 60 QD PRO 60 6.028 1.971 -7.562 632 H GLN 61 HN GLN 61 2.703 -1.556 -8.364 633 HA GLN 61 HA GLN 61 0.624 0.587 -8.498 634 1HB GLN 61 2HB GLN 61 0.221 -2.404 -8.978 635 2HB GLN 61 3HB GLN 61 -1.047 -1.182 -8.995 636 1HG GLN 61 2HG GLN 61 0.097 -0.045 -10.902 637 2HG GLN 61 3HG GLN 61 1.319 -1.309 -10.901 638 1HE2 GLN 61 2HE2 GLN 61 -2.049 -3.306 -11.642 639 2HE2 GLN 61 1HE2 GLN 61 -1.587 -2.791 -10.090 640 QB GLN 61 QB GLN 61 -0.413 -1.793 -8.986 641 QG GLN 61 QG GLN 61 0.708 -0.677 -10.901 642 QE2 GLN 61 QE2 GLN 61 -1.818 -3.049 -10.866 643 H ILE 62 HN ILE 62 -1.014 0.410 -6.962 644 HA ILE 62 HA ILE 62 -0.244 -1.060 -4.466 645 HB ILE 62 HB ILE 62 -1.238 1.801 -4.706 646 1HG1 ILE 62 2HG1 ILE 62 1.449 0.599 -3.975 647 2HG1 ILE 62 3HG1 ILE 62 1.095 1.587 -5.385 648 1HG2 ILE 62 1HG2 ILE 62 -2.091 0.632 -2.673 649 2HG2 ILE 62 2HG2 ILE 62 -0.448 0.183 -2.251 650 3HG2 ILE 62 3HG2 ILE 62 -0.929 1.876 -2.241 651 1HD1 ILE 62 1HD1 ILE 62 0.389 3.418 -3.839 652 2HD1 ILE 62 2HD1 ILE 62 0.984 2.438 -2.497 653 3HD1 ILE 62 3HD1 ILE 62 2.098 3.005 -3.744 654 QG1 ILE 62 QG1 ILE 62 1.272 1.093 -4.680 655 QG2 ILE 62 QG2 ILE 62 -1.156 0.897 -2.388 656 QD1 ILE 62 QD1 ILE 62 1.157 2.954 -3.360 657 H PHE 63 HN PHE 63 -1.948 -1.833 -3.367 658 HA PHE 63 HA PHE 63 -4.699 -1.276 -4.403 659 1HB PHE 63 2HB PHE 63 -3.417 -4.002 -3.952 660 2HB PHE 63 3HB PHE 63 -5.146 -3.765 -4.184 661 HD1 PHE 63 1HD PHE 63 -6.029 -3.092 -6.373 662 HD2 PHE 63 2HD PHE 63 -1.851 -3.661 -5.837 663 HE1 PHE 63 1HE PHE 63 -5.714 -3.002 -8.797 664 HE2 PHE 63 2HE PHE 63 -1.536 -3.653 -8.264 665 HZ PHE 63 HZ PHE 63 -3.484 -3.293 -9.759 666 QB PHE 63 QB PHE 63 -4.281 -3.883 -4.068 667 QR PHE 63 QR PHE 63 -3.782 -3.352 -7.318 668 H VAL 64 HN VAL 64 -5.943 -0.678 -2.632 669 HA VAL 64 HA VAL 64 -4.925 -1.666 0.006 670 HB VAL 64 HB VAL 64 -6.746 0.706 -0.521 671 1HG1 VAL 64 3HG1 VAL 64 -5.442 -0.423 1.997 672 2HG1 VAL 64 1HG1 VAL 64 -6.311 1.100 1.942 673 3HG1 VAL 64 2HG1 VAL 64 -7.162 -0.410 1.649 674 1HG2 VAL 64 2HG2 VAL 64 -4.322 0.986 -1.238 675 2HG2 VAL 64 3HG2 VAL 64 -4.791 2.062 0.072 676 3HG2 VAL 64 1HG2 VAL 64 -3.843 0.624 0.412 677 QG1 VAL 64 QG1 VAL 64 -6.305 0.089 1.863 678 QG2 VAL 64 QG2 VAL 64 -4.319 1.224 -0.251 679 QQG VAL 64 QQG VAL 64 -5.312 0.656 0.806 680 H ASP 65 HN ASP 65 -5.886 -3.595 0.115 681 HA ASP 65 HA ASP 65 -7.584 -4.955 0.970 682 1HB ASP 65 2HB ASP 65 -8.547 -2.671 1.842 683 2HB ASP 65 3HB ASP 65 -9.648 -2.804 0.488 684 QB ASP 65 QB ASP 65 -9.097 -2.737 1.165 685 H GLN 66 HN GLN 66 -9.119 -2.938 -1.526 686 HA GLN 66 HA GLN 66 -9.458 -5.433 -3.082 687 1HB GLN 66 2HB GLN 66 -11.911 -4.896 -3.429 688 2HB GLN 66 3HB GLN 66 -11.458 -5.415 -1.812 689 1HG GLN 66 2HG GLN 66 -11.265 -2.938 -1.193 690 2HG GLN 66 3HG GLN 66 -12.022 -2.582 -2.743 691 1HE2 GLN 66 2HE2 GLN 66 -14.277 -3.911 0.328 692 2HE2 GLN 66 1HE2 GLN 66 -12.605 -3.664 0.513 693 QB GLN 66 QB GLN 66 -11.685 -5.155 -2.621 694 QG GLN 66 QG GLN 66 -11.643 -2.760 -1.968 695 QE2 GLN 66 QE2 GLN 66 -13.441 -3.788 0.420 696 H GLN 67 HN GLN 67 -9.511 -1.893 -3.277 697 HA GLN 67 HA GLN 67 -9.861 -2.171 -6.203 698 1HB GLN 67 2HB GLN 67 -10.560 0.056 -6.189 699 2HB GLN 67 3HB GLN 67 -11.227 -0.565 -4.711 700 1HG GLN 67 2HG GLN 67 -8.761 1.184 -5.012 701 2HG GLN 67 3HG GLN 67 -10.280 1.607 -4.236 702 1HE2 GLN 67 2HE2 GLN 67 -9.520 -0.313 -1.284 703 2HE2 GLN 67 1HE2 GLN 67 -10.827 0.280 -2.205 704 QB GLN 67 QB GLN 67 -10.893 -0.255 -5.450 705 QG GLN 67 QG GLN 67 -9.520 1.395 -4.624 706 QE2 GLN 67 QE2 GLN 67 -10.174 -0.016 -1.744 707 H HIS 68 HN HIS 68 -8.594 -0.134 -7.260 708 HA HIS 68 HA HIS 68 -5.711 -0.707 -6.727 709 1HB HIS 68 2HB HIS 68 -6.576 -1.141 -9.039 710 2HB HIS 68 3HB HIS 68 -7.035 0.538 -9.151 711 HD1 HIS 68 HD1 HIS 68 -5.423 1.193 -10.917 712 HD2 HIS 68 HD2 HIS 68 -3.464 -0.610 -7.775 713 HE1 HIS 68 HE1 HIS 68 -2.953 1.727 -11.173 714 QB HIS 68 QB HIS 68 -6.806 -0.301 -9.095 715 H ILE 69 HN ILE 69 -4.396 0.940 -6.187 716 HA ILE 69 HA ILE 69 -5.554 3.686 -5.973 717 HB ILE 69 HB ILE 69 -3.556 2.390 -4.076 718 1HG1 ILE 69 2HG1 ILE 69 -5.768 1.191 -4.009 719 2HG1 ILE 69 3HG1 ILE 69 -5.411 2.035 -2.517 720 1HG2 ILE 69 2HG2 ILE 69 -5.274 4.886 -3.865 721 2HG2 ILE 69 3HG2 ILE 69 -4.299 4.222 -2.559 722 3HG2 ILE 69 1HG2 ILE 69 -3.524 4.834 -4.025 723 1HD1 ILE 69 1HD1 ILE 69 -7.211 3.124 -4.708 724 2HD1 ILE 69 2HD1 ILE 69 -7.760 2.387 -3.208 725 3HD1 ILE 69 3HD1 ILE 69 -6.873 3.897 -3.164 726 QG1 ILE 69 QG1 ILE 69 -5.589 1.613 -3.263 727 QG2 ILE 69 QG2 ILE 69 -4.366 4.647 -3.483 728 QD1 ILE 69 QD1 ILE 69 -7.282 3.136 -3.693 729 H GLY 70 HN GLY 70 -2.631 1.764 -6.412 730 1HA GLY 70 1HA GLY 70 -0.568 2.251 -7.439 731 2HA GLY 70 2HA GLY 70 -1.519 3.272 -8.487 732 QA GLY 70 QA GLY 70 -1.043 2.762 -7.963 733 H GLY 71 HN GLY 71 0.763 4.167 -8.383 734 1HA GLY 71 1HA GLY 71 2.331 5.787 -7.726 735 2HA GLY 71 2HA GLY 71 0.885 6.779 -7.687 736 QA GLY 71 QA GLY 71 1.608 6.283 -7.707 737 OH TYR 72 OH TYR 72 3.999 8.849 1.987 738 H TYR 72 HN TYR 72 2.022 8.024 -6.097 739 HA TYR 72 HA TYR 72 1.828 6.773 -3.378 740 1HB TYR 72 2HB TYR 72 4.220 7.256 -3.938 741 2HB TYR 72 3HB TYR 72 3.804 8.953 -4.177 742 HD1 TYR 72 HD2 TYR 72 2.879 6.359 -1.621 743 HD2 TYR 72 HD1 TYR 72 4.472 10.245 -2.300 744 HE1 TYR 72 HE2 TYR 72 3.073 6.695 0.798 745 HE2 TYR 72 HE1 TYR 72 4.636 10.590 0.124 746 HH TYR 72 HH TYR 72 4.196 7.976 2.383 747 QB TYR 72 QB TYR 72 4.012 8.104 -4.057 748 QR TYR 72 QR TYR 72 3.765 8.472 -0.750 749 H THR 73 HN THR 73 2.011 9.923 -4.984 750 HA THR 73 HA THR 73 0.813 11.606 -3.161 751 HB THR 73 HB THR 73 -0.275 12.658 -5.349 752 HG1 THR 73 1HG THR 73 -0.470 10.984 -6.730 753 1HG2 THR 73 1HG2 THR 73 2.664 11.814 -5.547 754 2HG2 THR 73 2HG2 THR 73 1.919 13.175 -6.373 755 3HG2 THR 73 3HG2 THR 73 2.122 13.211 -4.624 756 QG2 THR 73 QG2 THR 73 2.235 12.733 -5.514 757 H ASP 74 HN ASP 74 -0.758 9.482 -5.394 758 HA ASP 74 HA ASP 74 -3.469 10.022 -4.645 759 1HB ASP 74 2HB ASP 74 -2.775 7.314 -5.691 760 2HB ASP 74 3HB ASP 74 -3.960 8.476 -6.286 761 QB ASP 74 QB ASP 74 -3.368 7.895 -5.988 762 H PHE 75 HN PHE 75 -1.557 7.052 -3.963 763 HA PHE 75 HA PHE 75 -3.199 5.936 -2.036 764 1HB PHE 75 2HB PHE 75 -0.968 5.027 -2.829 765 2HB PHE 75 3HB PHE 75 -0.167 6.161 -1.760 766 HD1 PHE 75 2HD PHE 75 -3.246 4.842 -0.344 767 HD2 PHE 75 1HD PHE 75 0.915 4.016 -0.856 768 HE1 PHE 75 2HE PHE 75 -3.352 3.190 1.452 769 HE2 PHE 75 1HE PHE 75 0.793 2.348 0.934 770 HZ PHE 75 HZ PHE 75 -1.335 1.944 2.118 771 QB PHE 75 QB PHE 75 -0.567 5.594 -2.295 772 QR PHE 75 QR PHE 75 -1.222 3.599 0.297 773 H ALA 76 HN ALA 76 -0.770 8.383 -1.443 774 HA ALA 76 HA ALA 76 -1.080 8.820 1.318 775 1HB ALA 76 2HB ALA 76 0.765 9.708 -0.085 776 2HB ALA 76 3HB ALA 76 -0.361 10.781 -0.903 777 3HB ALA 76 1HB ALA 76 -0.004 11.017 0.806 778 QB ALA 76 QB ALA 76 0.134 10.502 -0.061 779 H ALA 77 HN ALA 77 -2.365 10.944 -1.226 780 HA ALA 77 HA ALA 77 -4.079 12.449 0.479 781 1HB ALA 77 3HB ALA 77 -4.352 11.834 -2.495 782 2HB ALA 77 1HB ALA 77 -5.242 13.095 -1.638 783 3HB ALA 77 2HB ALA 77 -3.492 13.202 -1.796 784 QB ALA 77 QB ALA 77 -4.362 12.710 -1.976 785 CH2 TRP 78 CH2 TRP 78 -7.499 3.294 0.842 786 H TRP 78 HN TRP 78 -4.762 9.774 -1.681 787 HA TRP 78 HA TRP 78 -7.482 9.345 -1.245 788 1HB TRP 78 2HB TRP 78 -6.134 8.003 -2.815 789 2HB TRP 78 3HB TRP 78 -5.193 7.356 -1.512 790 HD1 TRP 78 HD1 TRP 78 -8.680 6.976 -3.110 791 HE1 TRP 78 HE1 TRP 78 -9.797 4.961 -2.159 792 HE3 TRP 78 HE3 TRP 78 -5.193 5.703 0.187 793 HZ2 TRP 78 HZ2 TRP 78 -9.355 3.033 -0.175 794 HZ3 TRP 78 HZ3 TRP 78 -5.602 3.773 1.694 795 HH2 TRP 78 HH2 TRP 78 -7.673 2.469 1.515 796 QB TRP 78 QB TRP 78 -5.664 7.680 -2.163 797 H VAL 79 HN VAL 79 -4.824 7.856 0.627 798 HA VAL 79 HA VAL 79 -6.325 6.581 2.613 799 HB VAL 79 HB VAL 79 -3.606 7.910 2.621 800 1HG1 VAL 79 3HG1 VAL 79 -4.943 6.670 5.051 801 2HG1 VAL 79 1HG1 VAL 79 -3.240 7.085 4.943 802 3HG1 VAL 79 2HG1 VAL 79 -4.453 8.351 4.899 803 1HG2 VAL 79 1HG2 VAL 79 -4.585 5.073 3.097 804 2HG2 VAL 79 2HG2 VAL 79 -3.820 5.677 1.636 805 3HG2 VAL 79 3HG2 VAL 79 -2.899 5.565 3.123 806 QG1 VAL 79 QG1 VAL 79 -4.212 7.368 4.964 807 QG2 VAL 79 QG2 VAL 79 -3.768 5.438 2.619 808 QQG VAL 79 QQG VAL 79 -3.990 6.404 3.791 809 H LYS 80 HN LYS 80 -4.933 9.834 2.817 810 HA LYS 80 HA LYS 80 -6.163 10.723 5.157 811 1HB LYS 80 2HB LYS 80 -4.507 11.880 3.455 812 2HB LYS 80 3HB LYS 80 -5.971 12.546 2.760 813 1HG LYS 80 2HG LYS 80 -5.272 12.800 5.708 814 2HG LYS 80 3HG LYS 80 -4.823 14.004 4.513 815 1HD LYS 80 2HD LYS 80 -6.830 14.962 4.968 816 2HD LYS 80 3HD LYS 80 -7.512 13.673 3.992 817 1HE LYS 80 2HE LYS 80 -7.355 12.355 6.350 818 2HE LYS 80 3HE LYS 80 -7.482 13.995 6.965 819 1HZ LYS 80 1HZ LYS 80 -9.390 13.771 4.956 820 2HZ LYS 80 2HZ LYS 80 -9.458 12.329 5.866 821 3HZ LYS 80 3HZ LYS 80 -9.676 13.811 6.658 822 QB LYS 80 QB LYS 80 -5.239 12.213 3.107 823 QG LYS 80 QG LYS 80 -5.047 13.402 5.111 824 QD LYS 80 QD LYS 80 -7.171 14.318 4.480 825 QE LYS 80 QE LYS 80 -7.419 13.175 6.658 826 QZ LYS 80 QZ LYS 80 -9.508 13.304 5.827 827 H GLU 81 HN GLU 81 -7.551 10.874 1.889 828 HA GLU 81 HA GLU 81 -10.121 11.802 3.042 829 1HB GLU 81 2HB GLU 81 -9.181 11.401 0.166 830 2HB GLU 81 3HB GLU 81 -10.680 12.173 0.615 831 1HG GLU 81 2HG GLU 81 -7.958 13.161 1.556 832 2HG GLU 81 3HG GLU 81 -8.744 13.771 0.110 833 QB GLU 81 QB GLU 81 -9.931 11.787 0.391 834 QG GLU 81 QG GLU 81 -8.351 13.466 0.833 835 H ASN 82 HN ASN 82 -9.106 8.908 3.146 836 HA ASN 82 HA ASN 82 -11.732 7.766 2.279 837 1HB ASN 82 2HB ASN 82 -8.956 6.655 1.833 838 2HB ASN 82 3HB ASN 82 -10.324 5.560 1.990 839 1HD2 ASN 82 2HD2 ASN 82 -10.345 8.176 -1.173 840 2HD2 ASN 82 1HD2 ASN 82 -9.589 8.631 0.276 841 QB ASN 82 QB ASN 82 -9.640 6.108 1.912 842 QD2 ASN 82 QD2 ASN 82 -9.967 8.404 -0.449 843 H LEU 83 HN LEU 83 -9.064 7.714 4.571 844 HA LEU 83 HA LEU 83 -10.603 5.790 6.226 845 1HB LEU 83 2HB LEU 83 -7.868 6.972 6.798 846 2HB LEU 83 3HB LEU 83 -8.585 5.547 7.535 847 HG LEU 83 HG LEU 83 -7.779 5.855 4.610 848 1HD1 LEU 83 3HD1 LEU 83 -5.922 5.425 6.208 849 2HD1 LEU 83 1HD1 LEU 83 -6.771 4.005 6.796 850 3HD1 LEU 83 2HD1 LEU 83 -6.185 4.056 5.136 851 1HD2 LEU 83 1HD2 LEU 83 -9.098 3.518 6.045 852 2HD2 LEU 83 2HD2 LEU 83 -9.848 4.510 4.797 853 3HD2 LEU 83 3HD2 LEU 83 -8.482 3.477 4.398 854 QB LEU 83 QB LEU 83 -8.226 6.259 7.166 855 QD1 LEU 83 QD1 LEU 83 -6.293 4.496 6.047 856 QD2 LEU 83 QD2 LEU 83 -9.143 3.835 5.080 857 QQD LEU 83 QQD LEU 83 -7.718 4.165 5.563 858 H ASP 84 HN ASP 84 -11.530 8.550 5.838 859 HA ASP 84 HA ASP 84 -11.416 9.505 8.671 860 1HB ASP 84 2HB ASP 84 -11.864 10.849 6.035 861 2HB ASP 84 3HB ASP 84 -12.747 11.491 7.409 862 QB ASP 84 QB ASP 84 -12.305 11.170 6.722 863 H ALA 85 HN ALA 85 -13.775 9.299 6.025 864 HA ALA 85 HA ALA 85 -15.811 8.308 7.963 865 1HB ALA 85 2HB ALA 85 -16.223 10.731 7.637 866 2HB ALA 85 3HB ALA 85 -16.287 10.485 5.895 867 3HB ALA 85 1HB ALA 85 -17.519 9.771 6.928 868 QB ALA 85 QB ALA 85 -16.676 10.329 6.820 No H/Q in entry = 868
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