NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
17797 | 2d1u | 6803 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.554 0.593 -1.965 3 1HB ALA 1 1HB ALA 1 4.229 -0.038 -1.353 4 2HB ALA 1 2HB ALA 1 3.516 1.558 -1.590 5 3HB ALA 1 3HB ALA 1 3.588 0.855 0.026 6 H GLN 2 H GLN 2 0.961 -1.029 -3.261 7 HA GLN 2 HA GLN 2 1.233 -3.751 -2.771 8 1HB GLN 2 1HB GLN 2 -0.298 -2.909 -4.450 9 2HB GLN 2 2HB GLN 2 1.040 -2.288 -5.408 10 1HG GLN 2 1HG GLN 2 0.224 -4.314 -6.396 11 2HG GLN 2 2HG GLN 2 1.837 -4.592 -5.742 12 1HE2 GLN 2 2HE2 GLN 2 1.815 -6.686 -5.239 13 2HE2 GLN 2 1HE2 GLN 2 0.673 -7.446 -4.189 14 H VAL 3 H VAL 3 2.955 -5.017 -2.675 15 HA VAL 3 HA VAL 3 5.254 -4.436 -4.411 16 HB VAL 3 HB VAL 3 5.449 -5.160 -1.484 17 1HG1 VAL 3 1HG1 VAL 3 7.598 -4.680 -3.545 18 2HG1 VAL 3 2HG1 VAL 3 7.876 -4.887 -1.815 19 3HG1 VAL 3 3HG1 VAL 3 7.212 -6.215 -2.767 20 1HG2 VAL 3 1HG2 VAL 3 5.247 -2.636 -2.817 21 2HG2 VAL 3 2HG2 VAL 3 5.385 -2.974 -1.091 22 3HG2 VAL 3 3HG2 VAL 3 6.839 -2.784 -2.072 23 H ASN 4 H ASN 4 5.555 -6.135 -5.680 24 HA ASN 4 HA ASN 4 5.055 -8.822 -4.578 25 1HB ASN 4 1HB ASN 4 4.748 -9.431 -7.073 26 2HB ASN 4 2HB ASN 4 3.444 -8.571 -6.260 27 1HD2 ASN 4 2HD2 ASN 4 3.223 -6.309 -6.637 28 2HD2 ASN 4 1HD2 ASN 4 3.805 -5.609 -8.106 29 H ILE 5 H ILE 5 6.907 -9.825 -4.175 30 HA ILE 5 HA ILE 5 9.109 -9.530 -6.112 31 HB ILE 5 HB ILE 5 9.378 -9.877 -3.123 32 1HG1 ILE 5 1HG1 ILE 5 10.365 -7.518 -4.693 33 2HG1 ILE 5 2HG1 ILE 5 8.685 -7.584 -4.174 34 1HG2 ILE 5 1HG2 ILE 5 11.210 -10.988 -4.024 35 2HG2 ILE 5 2HG2 ILE 5 11.361 -9.855 -5.366 36 3HG2 ILE 5 3HG2 ILE 5 11.828 -9.362 -3.739 37 1HD1 ILE 5 1HD1 ILE 5 11.082 -7.746 -2.363 38 2HD1 ILE 5 2HD1 ILE 5 10.071 -6.324 -2.618 39 3HD1 ILE 5 3HD1 ILE 5 9.392 -7.764 -1.859 40 H ALA 6 H ALA 6 10.090 -11.360 -6.804 41 HA ALA 6 HA ALA 6 8.831 -13.880 -6.097 42 1HB ALA 6 1HB ALA 6 9.397 -14.568 -8.148 43 2HB ALA 6 2HB ALA 6 9.775 -12.873 -8.458 44 3HB ALA 6 3HB ALA 6 11.056 -13.989 -7.986 45 HA PRO 7 HA PRO 7 12.003 -14.976 -3.207 46 1HB PRO 7 1HB PRO 7 11.322 -17.590 -2.938 47 2HB PRO 7 2HB PRO 7 10.403 -16.276 -2.194 48 1HG PRO 7 1HG PRO 7 9.844 -17.786 -4.717 49 2HG PRO 7 2HG PRO 7 8.721 -17.294 -3.436 50 1HD PRO 7 1HD PRO 7 8.953 -15.939 -5.769 51 2HD PRO 7 2HD PRO 7 8.555 -15.138 -4.235 52 H GLY 8 H GLY 8 13.233 -17.393 -3.034 53 1HA GLY 8 1HA GLY 8 14.482 -18.995 -4.302 54 2HA GLY 8 2HA GLY 8 14.370 -17.928 -5.694 55 H SER 9 H SER 9 15.050 -16.157 -2.937 56 HA SER 9 HA SER 9 17.778 -16.550 -2.531 57 1HB SER 9 1HB SER 9 17.173 -15.215 -5.016 58 2HB SER 9 2HB SER 9 18.060 -14.130 -3.945 59 HG SER 9 HG SER 9 19.758 -15.217 -4.499 60 H LEU 10 H LEU 10 18.006 -15.716 -0.575 61 HA LEU 10 HA LEU 10 16.225 -13.830 0.541 62 1HB LEU 10 1HB LEU 10 17.626 -15.582 1.737 63 2HB LEU 10 2HB LEU 10 18.974 -14.456 1.585 64 HG LEU 10 HG LEU 10 16.411 -13.678 2.948 65 1HD1 LEU 10 1HD1 LEU 10 18.795 -14.625 4.474 66 2HD1 LEU 10 2HD1 LEU 10 17.611 -15.791 3.883 67 3HD1 LEU 10 3HD1 LEU 10 17.109 -14.504 4.979 68 1HD2 LEU 10 1HD2 LEU 10 18.907 -12.402 2.338 69 2HD2 LEU 10 2HD2 LEU 10 18.684 -12.487 4.085 70 3HD2 LEU 10 3HD2 LEU 10 17.455 -11.724 3.075 71 H ASP 11 H ASP 11 19.599 -13.542 -0.543 72 HA ASP 11 HA ASP 11 20.006 -10.867 0.105 73 1HB ASP 11 1HB ASP 11 21.936 -12.004 -0.533 74 2HB ASP 11 2HB ASP 11 21.178 -12.690 -1.967 75 H LYS 12 H LYS 12 18.632 -12.303 -2.825 76 HA LYS 12 HA LYS 12 18.350 -9.882 -4.258 77 1HB LYS 12 1HB LYS 12 16.963 -12.551 -4.487 78 2HB LYS 12 2HB LYS 12 16.642 -11.216 -5.586 79 1HG LYS 12 1HG LYS 12 19.370 -11.374 -5.652 80 2HG LYS 12 2HG LYS 12 18.894 -13.066 -5.486 81 1HD LYS 12 1HD LYS 12 19.007 -12.599 -7.815 82 2HD LYS 12 2HD LYS 12 17.296 -12.694 -7.392 83 1HE LYS 12 1HE LYS 12 17.149 -10.276 -7.328 84 2HE LYS 12 2HE LYS 12 18.878 -10.137 -7.643 85 1HZ LYS 12 1HZ LYS 12 16.713 -10.601 -9.477 86 2HZ LYS 12 2HZ LYS 12 18.007 -11.669 -9.694 87 3HZ LYS 12 3HZ LYS 12 18.267 -9.999 -9.769 88 H ALA 13 H ALA 13 15.916 -11.828 -2.519 89 HA ALA 13 HA ALA 13 13.746 -10.150 -2.793 90 1HB ALA 13 1HB ALA 13 12.797 -11.230 -0.868 91 2HB ALA 13 2HB ALA 13 13.701 -12.424 -1.801 92 3HB ALA 13 3HB ALA 13 14.391 -11.753 -0.323 93 H LEU 14 H LEU 14 16.546 -9.777 -0.770 94 HA LEU 14 HA LEU 14 15.453 -7.856 1.020 95 1HB LEU 14 1HB LEU 14 17.335 -8.760 1.916 96 2HB LEU 14 2HB LEU 14 18.144 -8.894 0.355 97 HG LEU 14 HG LEU 14 18.616 -6.475 0.422 98 1HD1 LEU 14 1HD1 LEU 14 16.935 -5.525 1.722 99 2HD1 LEU 14 2HD1 LEU 14 18.362 -5.427 2.752 100 3HD1 LEU 14 3HD1 LEU 14 17.158 -6.685 3.032 101 1HD2 LEU 14 1HD2 LEU 14 20.249 -6.583 2.328 102 2HD2 LEU 14 2HD2 LEU 14 20.349 -7.914 1.176 103 3HD2 LEU 14 3HD2 LEU 14 19.560 -8.154 2.736 104 H ASN 15 H ASN 15 17.638 -7.525 -1.779 105 HA ASN 15 HA ASN 15 17.658 -4.713 -1.796 106 1HB ASN 15 1HB ASN 15 19.056 -4.938 -3.558 107 2HB ASN 15 2HB ASN 15 19.008 -6.653 -3.160 108 1HD2 ASN 15 2HD2 ASN 15 17.775 -8.047 -4.416 109 2HD2 ASN 15 1HD2 ASN 15 17.197 -7.602 -5.982 110 H GLN 16 H GLN 16 15.460 -7.058 -3.169 111 HA GLN 16 HA GLN 16 14.120 -5.419 -5.001 112 1HB GLN 16 1HB GLN 16 12.974 -7.695 -3.375 113 2HB GLN 16 2HB GLN 16 12.291 -7.032 -4.854 114 1HG GLN 16 1HG GLN 16 15.065 -7.901 -5.123 115 2HG GLN 16 2HG GLN 16 13.945 -9.194 -4.698 116 1HE2 GLN 16 2HE2 GLN 16 14.770 -9.850 -6.902 117 2HE2 GLN 16 1HE2 GLN 16 13.841 -9.328 -8.261 118 H TYR 17 H TYR 17 13.172 -6.255 -1.665 119 HA TYR 17 HA TYR 17 11.072 -4.320 -1.608 120 1HB TYR 17 1HB TYR 17 10.522 -5.213 0.419 121 2HB TYR 17 2HB TYR 17 11.529 -6.532 -0.170 122 HD1 TYR 17 HD1 TYR 17 13.722 -6.943 0.777 123 HD2 TYR 17 HD2 TYR 17 11.321 -3.717 2.168 124 HE1 TYR 17 HE1 TYR 17 15.184 -6.710 2.741 125 HE2 TYR 17 HE2 TYR 17 12.777 -3.475 4.136 126 HH TYR 17 HH TYR 17 14.353 -4.716 5.424 127 H ALA 18 H ALA 18 14.410 -4.412 -0.499 128 HA ALA 18 HA ALA 18 14.409 -2.094 1.072 129 1HB ALA 18 1HB ALA 18 16.801 -2.115 0.858 130 2HB ALA 18 2HB ALA 18 16.232 -3.779 0.999 131 3HB ALA 18 3HB ALA 18 16.707 -3.140 -0.574 132 H ALA 19 H ALA 19 14.622 -2.545 -2.394 133 HA ALA 19 HA ALA 19 15.390 0.170 -2.946 134 1HB ALA 19 1HB ALA 19 14.354 -2.001 -4.765 135 2HB ALA 19 2HB ALA 19 14.982 -0.441 -5.300 136 3HB ALA 19 3HB ALA 19 16.044 -1.583 -4.476 137 H HIS 20 H HIS 20 12.404 -1.606 -2.639 138 HA HIS 20 HA HIS 20 10.767 0.400 -3.876 139 1HB HIS 20 1HB HIS 20 9.191 -1.191 -3.804 140 2HB HIS 20 2HB HIS 20 10.418 -2.260 -3.129 141 HD1 HIS 20 HD1 HIS 20 7.646 0.062 -2.018 142 HD2 HIS 20 HD2 HIS 20 9.966 -3.056 -0.549 143 HE1 HIS 20 HE1 HIS 20 6.645 -0.528 0.212 144 H SER 21 H SER 21 11.983 -0.225 -0.690 145 HA SER 21 HA SER 21 10.107 1.545 0.617 146 1HB SER 21 1HB SER 21 12.571 0.097 1.603 147 2HB SER 21 2HB SER 21 11.573 1.131 2.626 148 HG SER 21 HG SER 21 9.813 -0.360 1.680 149 H GLY 22 H GLY 22 13.644 1.548 0.125 150 1HA GLY 22 1HA GLY 22 14.812 3.472 -0.693 151 2HA GLY 22 2HA GLY 22 13.523 4.482 -0.054 152 H PHE 23 H PHE 23 14.774 1.905 1.891 153 HA PHE 23 HA PHE 23 16.249 3.876 3.511 154 1HB PHE 23 1HB PHE 23 15.405 2.985 5.493 155 2HB PHE 23 2HB PHE 23 14.008 2.925 4.422 156 HD1 PHE 23 HD1 PHE 23 15.889 1.121 6.732 157 HD2 PHE 23 HD2 PHE 23 13.808 0.663 3.048 158 HE1 PHE 23 HE1 PHE 23 15.674 -1.293 7.158 159 HE2 PHE 23 HE2 PHE 23 13.589 -1.751 3.468 160 HZ PHE 23 HZ PHE 23 14.522 -2.732 5.525 161 H THR 24 H THR 24 17.801 2.733 5.073 162 HA THR 24 HA THR 24 19.330 0.776 3.508 163 HB THR 24 HB THR 24 20.266 2.417 5.869 164 HG1 THR 24 HG1 THR 24 20.193 3.953 4.392 165 1HG2 THR 24 1HG2 THR 24 21.812 0.734 5.780 166 2HG2 THR 24 2HG2 THR 24 22.501 1.815 4.568 167 3HG2 THR 24 3HG2 THR 24 21.539 0.426 4.066 168 H LEU 25 H LEU 25 20.129 -1.119 4.433 169 HA LEU 25 HA LEU 25 19.173 -1.817 7.113 170 1HB LEU 25 1HB LEU 25 17.542 -2.637 5.432 171 2HB LEU 25 2HB LEU 25 18.830 -3.592 4.700 172 HG LEU 25 HG LEU 25 18.884 -4.426 7.315 173 1HD1 LEU 25 1HD1 LEU 25 16.738 -3.077 7.585 174 2HD1 LEU 25 2HD1 LEU 25 16.707 -4.760 8.109 175 3HD1 LEU 25 3HD1 LEU 25 15.980 -4.303 6.570 176 1HD2 LEU 25 1HD2 LEU 25 19.038 -5.812 5.300 177 2HD2 LEU 25 2HD2 LEU 25 17.306 -5.608 5.031 178 3HD2 LEU 25 3HD2 LEU 25 17.882 -6.470 6.459 179 H SER 26 H SER 26 20.640 -2.882 8.293 180 HA SER 26 HA SER 26 22.996 -3.971 6.894 181 1HB SER 26 1HB SER 26 22.865 -1.952 8.878 182 2HB SER 26 2HB SER 26 23.575 -3.374 9.642 183 HG SER 26 HG SER 26 24.448 -2.186 7.214 184 H VAL 27 H VAL 27 22.654 -6.114 6.843 185 HA VAL 27 HA VAL 27 22.198 -7.466 9.416 186 HB VAL 27 HB VAL 27 20.096 -7.639 8.310 187 1HG1 VAL 27 1HG1 VAL 27 21.767 -8.120 5.898 188 2HG1 VAL 27 2HG1 VAL 27 20.170 -8.866 5.974 189 3HG1 VAL 27 3HG1 VAL 27 20.332 -7.114 6.097 190 1HG2 VAL 27 1HG2 VAL 27 21.552 -10.218 7.753 191 2HG2 VAL 27 2HG2 VAL 27 21.029 -9.703 9.356 192 3HG2 VAL 27 3HG2 VAL 27 19.835 -10.011 8.095 193 H ASP 28 H ASP 28 23.427 -9.242 9.798 194 HA ASP 28 HA ASP 28 25.812 -9.617 8.394 195 1HB ASP 28 1HB ASP 28 24.340 -11.348 10.374 196 2HB ASP 28 2HB ASP 28 25.892 -11.825 9.693 197 H ALA 29 H ALA 29 25.632 -10.027 6.240 198 HA ALA 29 HA ALA 29 23.800 -11.935 5.160 199 1HB ALA 29 1HB ALA 29 26.113 -11.215 3.506 200 2HB ALA 29 2HB ALA 29 24.387 -11.098 3.162 201 3HB ALA 29 3HB ALA 29 25.183 -9.845 4.114 202 H SER 30 H SER 30 26.664 -12.284 6.827 203 HA SER 30 HA SER 30 28.114 -14.228 5.526 204 1HB SER 30 1HB SER 30 27.598 -14.352 8.494 205 2HB SER 30 2HB SER 30 29.067 -14.784 7.619 206 HG SER 30 HG SER 30 29.319 -12.558 7.122 207 H LEU 31 H LEU 31 25.309 -14.683 7.656 208 HA LEU 31 HA LEU 31 25.264 -17.532 7.154 209 1HB LEU 31 1HB LEU 31 22.971 -16.157 8.434 210 2HB LEU 31 2HB LEU 31 23.744 -17.687 8.844 211 HG LEU 31 HG LEU 31 25.704 -15.956 9.524 212 1HD1 LEU 31 1HD1 LEU 31 23.938 -14.128 8.920 213 2HD1 LEU 31 2HD1 LEU 31 24.946 -13.954 10.356 214 3HD1 LEU 31 3HD1 LEU 31 23.283 -14.520 10.511 215 1HD2 LEU 31 1HD2 LEU 31 23.454 -17.218 11.006 216 2HD2 LEU 31 2HD2 LEU 31 24.497 -16.083 11.864 217 3HD2 LEU 31 3HD2 LEU 31 25.188 -17.520 11.110 218 H THR 32 H THR 32 23.581 -14.660 6.076 219 HA THR 32 HA THR 32 21.332 -15.783 4.893 220 HB THR 32 HB THR 32 22.948 -13.389 4.002 221 HG1 THR 32 HG1 THR 32 21.537 -12.254 5.257 222 1HG2 THR 32 1HG2 THR 32 21.652 -14.078 2.118 223 2HG2 THR 32 2HG2 THR 32 20.809 -12.719 2.861 224 3HG2 THR 32 3HG2 THR 32 20.233 -14.364 3.124 225 H ARG 33 H ARG 33 24.547 -15.225 3.479 226 HA ARG 33 HA ARG 33 24.021 -16.142 0.906 227 1HB ARG 33 1HB ARG 33 26.461 -15.872 2.585 228 2HB ARG 33 2HB ARG 33 26.582 -16.862 1.137 229 1HG ARG 33 1HG ARG 33 27.214 -14.403 0.947 230 2HG ARG 33 2HG ARG 33 26.126 -15.063 -0.276 231 1HD ARG 33 1HD ARG 33 24.277 -13.966 0.596 232 2HD ARG 33 2HD ARG 33 25.023 -13.762 2.180 233 HE ARG 33 HE ARG 33 26.001 -11.825 1.439 234 1HH1 ARG 33 2HH1 ARG 33 24.776 -13.617 -1.283 235 2HH1 ARG 33 1HH1 ARG 33 25.050 -12.335 -2.417 236 1HH2 ARG 33 2HH2 ARG 33 26.368 -10.131 -0.044 237 2HH2 ARG 33 1HH2 ARG 33 25.957 -10.353 -1.711 238 H GLY 34 H GLY 34 22.884 -17.999 0.657 239 1HA GLY 34 1HA GLY 34 23.660 -20.413 0.273 240 2HA GLY 34 2HA GLY 34 23.888 -20.414 2.015 241 H LYS 35 H LYS 35 21.399 -18.550 2.018 242 HA LYS 35 HA LYS 35 19.407 -20.705 1.743 243 1HB LYS 35 1HB LYS 35 18.327 -20.025 3.736 244 2HB LYS 35 2HB LYS 35 20.041 -20.088 4.124 245 1HG LYS 35 1HG LYS 35 20.187 -17.660 3.863 246 2HG LYS 35 2HG LYS 35 18.463 -17.602 3.489 247 1HD LYS 35 1HD LYS 35 18.441 -17.107 5.735 248 2HD LYS 35 2HD LYS 35 18.238 -18.860 5.778 249 1HE LYS 35 1HE LYS 35 21.017 -18.317 5.714 250 2HE LYS 35 2HE LYS 35 20.299 -17.265 6.933 251 1HZ LYS 35 1HZ LYS 35 20.960 -19.898 7.252 252 2HZ LYS 35 2HZ LYS 35 19.278 -19.926 7.082 253 3HZ LYS 35 3HZ LYS 35 19.990 -18.980 8.290 254 H GLN 36 H GLN 36 17.098 -19.688 1.819 255 HA GLN 36 HA GLN 36 17.084 -17.282 0.121 256 1HB GLN 36 1HB GLN 36 15.250 -19.674 -0.114 257 2HB GLN 36 2HB GLN 36 15.179 -18.221 -1.102 258 1HG GLN 36 1HG GLN 36 16.929 -18.836 -2.384 259 2HG GLN 36 2HG GLN 36 17.763 -19.638 -1.054 260 1HE2 GLN 36 2HE2 GLN 36 14.535 -20.100 -2.435 261 2HE2 GLN 36 1HE2 GLN 36 14.749 -21.771 -2.821 262 H SER 37 H SER 37 14.646 -16.483 -0.016 263 HA SER 37 HA SER 37 13.373 -16.644 2.613 264 1HB SER 37 1HB SER 37 14.677 -14.711 2.964 265 2HB SER 37 2HB SER 37 14.417 -14.131 1.319 266 HG SER 37 HG SER 37 12.293 -13.658 1.853 267 H ASN 38 H ASN 38 11.186 -15.726 2.626 268 HA ASN 38 HA ASN 38 9.795 -16.416 0.197 269 1HB ASN 38 1HB ASN 38 8.636 -15.307 2.760 270 2HB ASN 38 2HB ASN 38 7.774 -16.170 1.490 271 1HD2 ASN 38 2HD2 ASN 38 7.734 -18.345 1.505 272 2HD2 ASN 38 1HD2 ASN 38 8.508 -19.326 2.698 273 H GLY 39 H GLY 39 9.148 -15.058 -1.343 274 1HA GLY 39 1HA GLY 39 9.825 -12.315 -1.302 275 2HA GLY 39 2HA GLY 39 8.805 -13.102 -2.497 276 H LEU 40 H LEU 40 7.984 -10.713 -2.101 277 HA LEU 40 HA LEU 40 5.930 -10.776 0.004 278 1HB LEU 40 1HB LEU 40 7.623 -8.903 -0.048 279 2HB LEU 40 2HB LEU 40 6.862 -8.371 -1.546 280 HG LEU 40 HG LEU 40 4.786 -7.934 -0.370 281 1HD1 LEU 40 1HD1 LEU 40 6.011 -9.582 1.651 282 2HD1 LEU 40 2HD1 LEU 40 4.329 -9.088 1.470 283 3HD1 LEU 40 3HD1 LEU 40 5.465 -8.048 2.328 284 1HD2 LEU 40 1HD2 LEU 40 6.851 -6.334 -0.371 285 2HD2 LEU 40 2HD2 LEU 40 6.866 -6.674 1.360 286 3HD2 LEU 40 3HD2 LEU 40 5.436 -5.959 0.613 287 H HIS 41 H HIS 41 3.815 -9.903 -0.515 288 HA HIS 41 HA HIS 41 3.053 -9.540 -3.257 289 1HB HIS 41 1HB HIS 41 3.121 -12.170 -2.384 290 2HB HIS 41 2HB HIS 41 1.430 -11.717 -2.190 291 HD1 HIS 41 HD1 HIS 41 0.368 -12.855 -4.140 292 HD2 HIS 41 HD2 HIS 41 3.738 -10.681 -5.226 293 HE1 HIS 41 HE1 HIS 41 0.432 -12.924 -6.653 294 H GLY 42 H GLY 42 1.992 -7.686 -2.799 295 1HA GLY 42 1HA GLY 42 -0.450 -7.171 -2.300 296 2HA GLY 42 2HA GLY 42 -0.077 -7.784 -0.696 297 H ASP 43 H ASP 43 -1.061 -5.428 -0.522 298 HA ASP 43 HA ASP 43 0.885 -3.324 -0.859 299 1HB ASP 43 1HB ASP 43 -0.871 -1.935 0.313 300 2HB ASP 43 2HB ASP 43 -1.393 -2.696 -1.188 301 H TYR 44 H TYR 44 2.607 -3.436 0.457 302 HA TYR 44 HA TYR 44 2.103 -3.364 3.341 303 1HB TYR 44 1HB TYR 44 4.152 -5.158 2.022 304 2HB TYR 44 2HB TYR 44 3.980 -4.913 3.757 305 HD1 TYR 44 HD1 TYR 44 3.051 -6.932 1.016 306 HD2 TYR 44 HD2 TYR 44 1.617 -5.465 4.744 307 HE1 TYR 44 HE1 TYR 44 1.422 -8.773 1.107 308 HE2 TYR 44 HE2 TYR 44 -0.015 -7.302 4.846 309 HH TYR 44 HH TYR 44 -1.107 -8.872 3.472 310 H ASP 45 H ASP 45 3.280 -1.872 4.377 311 HA ASP 45 HA ASP 45 4.860 -0.031 2.916 312 1HB ASP 45 1HB ASP 45 4.771 -0.357 5.920 313 2HB ASP 45 2HB ASP 45 5.210 1.091 5.018 314 H VAL 46 H VAL 46 7.058 0.616 4.251 315 HA VAL 46 HA VAL 46 8.987 -1.201 3.381 316 HB VAL 46 HB VAL 46 9.623 1.076 3.704 317 1HG1 VAL 46 1HG1 VAL 46 9.170 0.758 6.664 318 2HG1 VAL 46 2HG1 VAL 46 9.578 2.233 5.785 319 3HG1 VAL 46 3HG1 VAL 46 7.995 1.486 5.569 320 1HG2 VAL 46 1HG2 VAL 46 11.290 -0.781 4.191 321 2HG2 VAL 46 2HG2 VAL 46 11.692 0.825 4.799 322 3HG2 VAL 46 3HG2 VAL 46 11.054 -0.399 5.897 323 H GLU 47 H GLU 47 7.746 -0.620 6.663 324 HA GLU 47 HA GLU 47 9.345 -2.678 7.839 325 1HB GLU 47 1HB GLU 47 7.633 -0.594 8.752 326 2HB GLU 47 2HB GLU 47 7.065 -2.103 9.454 327 1HG GLU 47 1HG GLU 47 9.292 -2.539 10.340 328 2HG GLU 47 2HG GLU 47 9.875 -1.038 9.624 329 H SER 48 H SER 48 5.865 -2.396 7.127 330 HA SER 48 HA SER 48 5.067 -4.913 7.958 331 1HB SER 48 1HB SER 48 3.971 -2.789 6.331 332 2HB SER 48 2HB SER 48 3.537 -4.363 5.666 333 HG SER 48 HG SER 48 2.780 -3.168 8.045 334 H GLY 49 H GLY 49 6.082 -3.927 4.685 335 1HA GLY 49 1HA GLY 49 5.911 -6.511 3.554 336 2HA GLY 49 2HA GLY 49 6.825 -5.161 2.897 337 H LEU 50 H LEU 50 8.537 -4.814 5.179 338 HA LEU 50 HA LEU 50 10.615 -6.572 4.488 339 1HB LEU 50 1HB LEU 50 11.431 -4.645 5.387 340 2HB LEU 50 2HB LEU 50 10.154 -4.541 6.597 341 HG LEU 50 HG LEU 50 11.270 -6.227 7.950 342 1HD1 LEU 50 1HD1 LEU 50 12.503 -6.951 5.571 343 2HD1 LEU 50 2HD1 LEU 50 12.836 -7.600 7.176 344 3HD1 LEU 50 3HD1 LEU 50 13.799 -6.262 6.550 345 1HD2 LEU 50 1HD2 LEU 50 12.034 -3.634 7.638 346 2HD2 LEU 50 2HD2 LEU 50 13.564 -4.482 7.412 347 3HD2 LEU 50 3HD2 LEU 50 12.635 -4.718 8.893 348 H GLN 51 H GLN 51 8.449 -6.522 7.301 349 HA GLN 51 HA GLN 51 9.577 -8.787 8.566 350 1HB GLN 51 1HB GLN 51 6.776 -7.681 8.824 351 2HB GLN 51 2HB GLN 51 7.556 -8.788 9.945 352 1HG GLN 51 1HG GLN 51 9.076 -6.345 9.462 353 2HG GLN 51 2HG GLN 51 7.488 -6.071 10.179 354 1HE2 GLN 51 2HE2 GLN 51 10.493 -7.868 10.548 355 2HE2 GLN 51 1HE2 GLN 51 10.404 -8.020 12.267 356 H GLN 52 H GLN 52 7.327 -8.407 5.971 357 HA GLN 52 HA GLN 52 6.192 -11.034 6.159 358 1HB GLN 52 1HB GLN 52 5.907 -8.689 4.423 359 2HB GLN 52 2HB GLN 52 5.748 -10.221 3.573 360 1HG GLN 52 1HG GLN 52 4.130 -9.271 5.922 361 2HG GLN 52 2HG GLN 52 3.582 -9.483 4.260 362 1HE2 GLN 52 2HE2 GLN 52 4.431 -11.872 3.526 363 2HE2 GLN 52 1HE2 GLN 52 3.809 -13.117 4.549 364 H LEU 53 H LEU 53 8.987 -9.623 4.678 365 HA LEU 53 HA LEU 53 9.454 -11.709 2.782 366 1HB LEU 53 1HB LEU 53 10.642 -9.211 3.512 367 2HB LEU 53 2HB LEU 53 11.892 -10.451 3.434 368 HG LEU 53 HG LEU 53 11.570 -10.805 1.155 369 1HD1 LEU 53 1HD1 LEU 53 9.406 -11.120 0.622 370 2HD1 LEU 53 2HD1 LEU 53 9.491 -9.428 0.137 371 3HD1 LEU 53 3HD1 LEU 53 8.839 -9.859 1.717 372 1HD2 LEU 53 1HD2 LEU 53 10.961 -7.872 1.481 373 2HD2 LEU 53 2HD2 LEU 53 11.786 -8.654 0.132 374 3HD2 LEU 53 3HD2 LEU 53 12.557 -8.585 1.717 375 H LEU 54 H LEU 54 11.060 -10.843 5.848 376 HA LEU 54 HA LEU 54 12.495 -13.332 5.929 377 1HB LEU 54 1HB LEU 54 13.687 -12.421 7.617 378 2HB LEU 54 2HB LEU 54 13.024 -10.931 6.949 379 HG LEU 54 HG LEU 54 12.752 -10.682 9.244 380 1HD1 LEU 54 1HD1 LEU 54 10.095 -11.874 8.990 381 2HD1 LEU 54 2HD1 LEU 54 10.541 -10.817 7.652 382 3HD1 LEU 54 3HD1 LEU 54 10.568 -10.205 9.305 383 1HD2 LEU 54 1HD2 LEU 54 11.327 -13.105 9.946 384 2HD2 LEU 54 2HD2 LEU 54 12.735 -12.361 10.706 385 3HD2 LEU 54 3HD2 LEU 54 12.944 -13.444 9.329 386 H ASP 55 H ASP 55 9.354 -12.529 6.571 387 HA ASP 55 HA ASP 55 8.649 -13.687 8.956 388 1HB ASP 55 1HB ASP 55 6.875 -12.693 7.839 389 2HB ASP 55 2HB ASP 55 7.263 -13.478 6.311 390 H GLY 56 H GLY 56 9.014 -15.624 9.797 391 1HA GLY 56 1HA GLY 56 8.292 -18.062 9.003 392 2HA GLY 56 2HA GLY 56 9.755 -17.838 8.055 393 H SER 57 H SER 57 10.998 -16.226 10.215 394 HA SER 57 HA SER 57 11.644 -18.452 12.035 395 1HB SER 57 1HB SER 57 13.890 -17.292 12.264 396 2HB SER 57 2HB SER 57 13.565 -18.011 10.686 397 HG SER 57 HG SER 57 12.816 -15.355 11.063 398 H GLY 58 H GLY 58 10.868 -15.064 11.747 399 1HA GLY 58 1HA GLY 58 9.965 -13.658 13.350 400 2HA GLY 58 2HA GLY 58 10.117 -14.956 14.525 401 H LEU 59 H LEU 59 11.579 -12.137 13.163 402 HA LEU 59 HA LEU 59 13.660 -12.266 15.239 403 1HB LEU 59 1HB LEU 59 13.908 -11.592 12.340 404 2HB LEU 59 2HB LEU 59 14.996 -10.843 13.507 405 HG LEU 59 HG LEU 59 15.179 -13.519 14.125 406 1HD1 LEU 59 1HD1 LEU 59 13.862 -13.931 12.004 407 2HD1 LEU 59 2HD1 LEU 59 15.409 -14.766 12.139 408 3HD1 LEU 59 3HD1 LEU 59 15.269 -13.329 11.127 409 1HD2 LEU 59 1HD2 LEU 59 17.219 -12.592 14.114 410 2HD2 LEU 59 2HD2 LEU 59 16.808 -11.464 12.822 411 3HD2 LEU 59 3HD2 LEU 59 17.278 -13.119 12.432 412 H GLN 60 H GLN 60 14.673 -9.996 15.528 413 HA GLN 60 HA GLN 60 12.458 -8.065 15.675 414 1HB GLN 60 1HB GLN 60 13.452 -7.142 17.613 415 2HB GLN 60 2HB GLN 60 13.542 -8.886 17.818 416 1HG GLN 60 1HG GLN 60 15.917 -8.314 16.585 417 2HG GLN 60 2HG GLN 60 15.670 -6.908 17.619 418 1HE2 GLN 60 2HE2 GLN 60 16.171 -10.342 17.514 419 2HE2 GLN 60 1HE2 GLN 60 16.543 -10.545 19.189 420 H VAL 61 H VAL 61 12.706 -5.995 14.933 421 HA VAL 61 HA VAL 61 15.226 -5.408 13.518 422 HB VAL 61 HB VAL 61 12.537 -4.346 12.676 423 1HG1 VAL 61 1HG1 VAL 61 14.582 -4.719 10.653 424 2HG1 VAL 61 2HG1 VAL 61 13.652 -3.278 11.068 425 3HG1 VAL 61 3HG1 VAL 61 15.122 -3.667 11.961 426 1HG2 VAL 61 1HG2 VAL 61 13.607 -7.023 12.349 427 2HG2 VAL 61 2HG2 VAL 61 11.992 -6.403 12.004 428 3HG2 VAL 61 3HG2 VAL 61 13.273 -6.244 10.802 429 H LYS 62 H LYS 62 16.280 -3.715 14.295 430 HA LYS 62 HA LYS 62 14.751 -1.478 15.432 431 1HB LYS 62 1HB LYS 62 16.592 -1.270 17.167 432 2HB LYS 62 2HB LYS 62 15.481 -2.618 17.374 433 1HG LYS 62 1HG LYS 62 17.881 -3.224 15.797 434 2HG LYS 62 2HG LYS 62 18.174 -2.816 17.489 435 1HD LYS 62 1HD LYS 62 16.002 -4.750 16.832 436 2HD LYS 62 2HD LYS 62 17.679 -5.296 16.752 437 1HE LYS 62 1HE LYS 62 17.283 -5.761 18.937 438 2HE LYS 62 2HE LYS 62 17.761 -4.074 19.119 439 1HZ LYS 62 1HZ LYS 62 15.731 -3.512 19.795 440 2HZ LYS 62 2HZ LYS 62 15.437 -5.165 19.998 441 3HZ LYS 62 3HZ LYS 62 14.965 -4.392 18.570 442 HA PRO 63 HA PRO 63 17.319 0.941 12.788 443 1HB PRO 63 1HB PRO 63 16.939 3.359 13.962 444 2HB PRO 63 2HB PRO 63 15.707 2.568 12.971 445 1HG PRO 63 1HG PRO 63 15.963 2.670 15.952 446 2HG PRO 63 2HG PRO 63 14.514 2.858 14.947 447 1HD PRO 63 1HD PRO 63 15.114 0.545 16.221 448 2HD PRO 63 2HD PRO 63 14.264 0.584 14.663 449 H LEU 64 H LEU 64 19.243 2.254 12.813 450 HA LEU 64 HA LEU 64 20.812 1.948 15.289 451 1HB LEU 64 1HB LEU 64 22.136 2.230 12.640 452 2HB LEU 64 2HB LEU 64 22.686 1.394 14.091 453 HG LEU 64 HG LEU 64 20.507 0.386 12.265 454 1HD1 LEU 64 1HD1 LEU 64 22.563 0.380 11.039 455 2HD1 LEU 64 2HD1 LEU 64 22.221 -1.270 11.557 456 3HD1 LEU 64 3HD1 LEU 64 23.434 -0.313 12.407 457 1HD2 LEU 64 1HD2 LEU 64 20.057 -0.904 14.030 458 2HD2 LEU 64 2HD2 LEU 64 21.535 -0.425 14.866 459 3HD2 LEU 64 3HD2 LEU 64 21.578 -1.722 13.670 460 H GLY 65 H GLY 65 20.956 3.856 12.270 461 1HA GLY 65 1HA GLY 65 21.576 6.214 13.940 462 2HA GLY 65 2HA GLY 65 22.215 5.965 12.322 463 H ASN 66 H ASN 66 21.238 7.038 10.746 464 HA ASN 66 HA ASN 66 19.043 8.716 11.162 465 1HB ASN 66 1HB ASN 66 20.639 9.114 9.367 466 2HB ASN 66 2HB ASN 66 20.156 7.620 8.571 467 1HD2 ASN 66 2HD2 ASN 66 18.505 7.657 7.185 468 2HD2 ASN 66 1HD2 ASN 66 17.491 9.025 6.889 469 H ASN 67 H ASN 67 18.882 6.265 8.627 470 HA ASN 67 HA ASN 67 16.333 5.320 9.746 471 1HB ASN 67 1HB ASN 67 15.977 6.969 7.881 472 2HB ASN 67 2HB ASN 67 16.800 5.843 6.805 473 1HD2 ASN 67 2HD2 ASN 67 15.025 5.518 5.511 474 2HD2 ASN 67 1HD2 ASN 67 13.633 4.638 6.034 475 H SER 68 H SER 68 19.053 4.205 9.769 476 HA SER 68 HA SER 68 18.867 1.923 7.963 477 1HB SER 68 1HB SER 68 21.043 3.093 8.280 478 2HB SER 68 2HB SER 68 21.030 2.598 9.972 479 HG SER 68 HG SER 68 20.927 0.401 9.168 480 H TRP 69 H TRP 69 18.041 0.034 8.549 481 HA TRP 69 HA TRP 69 17.660 -0.491 11.423 482 1HB TRP 69 1HB TRP 69 16.087 -1.604 9.090 483 2HB TRP 69 2HB TRP 69 15.763 -1.896 10.796 484 HD1 TRP 69 HD1 TRP 69 16.201 1.350 8.687 485 HE1 TRP 69 HE1 TRP 69 14.283 2.950 9.309 486 HE3 TRP 69 HE3 TRP 69 13.780 -1.576 12.110 487 HZ2 TRP 69 HZ2 TRP 69 12.041 2.969 11.024 488 HZ3 TRP 69 HZ3 TRP 69 11.756 -0.693 13.196 489 HH2 TRP 69 HH2 TRP 69 10.907 1.533 12.663 490 H THR 70 H THR 70 17.814 -2.727 12.123 491 HA THR 70 HA THR 70 19.432 -4.448 10.380 492 HB THR 70 HB THR 70 21.000 -3.269 11.864 493 HG1 THR 70 HG1 THR 70 22.005 -5.120 11.767 494 1HG2 THR 70 1HG2 THR 70 19.540 -2.815 13.748 495 2HG2 THR 70 2HG2 THR 70 20.945 -3.732 14.293 496 3HG2 THR 70 3HG2 THR 70 19.392 -4.540 14.082 497 H LEU 71 H LEU 71 19.382 -6.692 10.935 498 HA LEU 71 HA LEU 71 17.001 -7.419 12.506 499 1HB LEU 71 1HB LEU 71 18.157 -8.405 9.982 500 2HB LEU 71 2HB LEU 71 17.546 -9.646 11.075 501 HG LEU 71 HG LEU 71 15.924 -8.914 9.333 502 1HD1 LEU 71 1HD1 LEU 71 15.186 -8.436 12.215 503 2HD1 LEU 71 2HD1 LEU 71 15.114 -9.964 11.338 504 3HD1 LEU 71 3HD1 LEU 71 14.028 -8.645 10.900 505 1HD2 LEU 71 1HD2 LEU 71 15.982 -6.327 10.884 506 2HD2 LEU 71 2HD2 LEU 71 14.812 -6.745 9.632 507 3HD2 LEU 71 3HD2 LEU 71 16.518 -6.562 9.220 508 H GLU 72 H GLU 72 17.321 -8.445 14.360 509 HA GLU 72 HA GLU 72 19.815 -9.977 14.706 510 1HB GLU 72 1HB GLU 72 18.586 -7.889 16.397 511 2HB GLU 72 2HB GLU 72 19.174 -9.306 17.255 512 1HG GLU 72 1HG GLU 72 21.066 -8.078 17.301 513 2HG GLU 72 2HG GLU 72 21.307 -8.860 15.740 514 HA PRO 73 HA PRO 73 17.426 -13.453 15.911 515 1HB PRO 73 1HB PRO 73 18.958 -14.545 17.868 516 2HB PRO 73 2HB PRO 73 19.403 -14.597 16.158 517 1HG PRO 73 1HG PRO 73 20.357 -12.746 18.309 518 2HG PRO 73 2HG PRO 73 21.289 -13.558 17.037 519 1HD PRO 73 1HD PRO 73 20.538 -10.962 16.862 520 2HD PRO 73 2HD PRO 73 20.691 -12.009 15.437 521 H ALA 74 H ALA 74 15.574 -13.426 17.005 522 HA ALA 74 HA ALA 74 15.545 -12.270 19.714 523 1HB ALA 74 1HB ALA 74 13.788 -11.091 19.057 524 2HB ALA 74 2HB ALA 74 13.873 -11.832 17.459 525 3HB ALA 74 3HB ALA 74 12.907 -12.583 18.728 526 HA PRO 75 HA PRO 75 14.377 -16.086 21.539 527 1HB PRO 75 1HB PRO 75 12.542 -15.314 23.384 528 2HB PRO 75 2HB PRO 75 14.270 -14.982 23.551 529 1HG PRO 75 1HG PRO 75 12.079 -13.180 22.595 530 2HG PRO 75 2HG PRO 75 13.428 -12.819 23.689 531 1HD PRO 75 1HD PRO 75 13.448 -12.122 21.073 532 2HD PRO 75 2HD PRO 75 14.926 -12.551 21.958 533 H ALA 76 H ALA 76 13.001 -17.740 21.167 534 HA ALA 76 HA ALA 76 10.236 -17.163 20.395 535 1HB ALA 76 1HB ALA 76 12.324 -18.146 18.616 536 2HB ALA 76 2HB ALA 76 10.894 -19.179 18.651 537 3HB ALA 76 3HB ALA 76 10.738 -17.471 18.241 538 HA PRO 77 HA PRO 77 9.191 -20.716 22.748 539 1HB PRO 77 1HB PRO 77 7.139 -21.778 21.322 540 2HB PRO 77 2HB PRO 77 6.990 -20.281 22.250 541 1HG PRO 77 1HG PRO 77 7.445 -20.653 19.315 542 2HG PRO 77 2HG PRO 77 6.365 -19.516 20.144 543 1HD PRO 77 1HD PRO 77 8.778 -18.779 19.159 544 2HD PRO 77 2HD PRO 77 8.073 -18.040 20.612 545 H LYS 78 H LYS 78 8.961 -23.094 22.699 546 HA LYS 78 HA LYS 78 11.088 -24.363 21.474 547 1HB LYS 78 1HB LYS 78 9.922 -25.318 23.386 548 2HB LYS 78 2HB LYS 78 8.475 -25.559 22.415 549 1HG LYS 78 1HG LYS 78 9.556 -27.659 22.620 550 2HG LYS 78 2HG LYS 78 9.806 -27.100 20.964 551 1HD LYS 78 1HD LYS 78 12.010 -26.088 22.027 552 2HD LYS 78 2HD LYS 78 11.753 -27.385 23.196 553 1HE LYS 78 1HE LYS 78 13.155 -28.285 21.523 554 2HE LYS 78 2HE LYS 78 11.550 -28.949 21.219 555 1HZ LYS 78 1HZ LYS 78 12.274 -26.474 19.844 556 2HZ LYS 78 2HZ LYS 78 11.318 -27.764 19.314 557 3HZ LYS 78 3HZ LYS 78 13.004 -27.903 19.308 558 H GLU 79 H GLU 79 11.404 -24.306 19.327 559 HA GLU 79 HA GLU 79 9.507 -24.181 17.324 560 1HB GLU 79 1HB GLU 79 12.301 -25.307 17.339 561 2HB GLU 79 2HB GLU 79 11.332 -25.241 15.873 562 1HG GLU 79 1HG GLU 79 11.117 -22.790 16.191 563 2HG GLU 79 2HG GLU 79 12.224 -22.914 17.558 564 H ASP 80 H ASP 80 8.841 -25.795 15.750 565 HA ASP 80 HA ASP 80 8.770 -28.541 16.786 566 1HB ASP 80 1HB ASP 80 6.434 -26.805 16.051 567 2HB ASP 80 2HB ASP 80 6.330 -28.554 15.868 568 H ALA 81 H ALA 81 7.519 -29.915 14.964 569 HA ALA 81 HA ALA 81 8.924 -29.296 12.450 570 1HB ALA 81 1HB ALA 81 9.118 -31.608 12.026 571 2HB ALA 81 2HB ALA 81 9.547 -31.394 13.724 572 3HB ALA 81 3HB ALA 81 7.955 -32.016 13.288 573 H LEU 82 H LEU 82 7.778 -28.980 10.645 574 HA LEU 82 HA LEU 82 4.895 -29.014 10.793 575 1HB LEU 82 1HB LEU 82 6.918 -28.066 8.815 576 2HB LEU 82 2HB LEU 82 5.248 -28.294 8.300 577 HG LEU 82 HG LEU 82 5.689 -25.967 8.860 578 1HD1 LEU 82 1HD1 LEU 82 3.520 -27.370 9.551 579 2HD1 LEU 82 2HD1 LEU 82 3.685 -25.641 9.855 580 3HD1 LEU 82 3HD1 LEU 82 4.011 -26.798 11.146 581 1HD2 LEU 82 1HD2 LEU 82 6.633 -25.233 10.789 582 2HD2 LEU 82 2HD2 LEU 82 7.395 -26.822 10.718 583 3HD2 LEU 82 3HD2 LEU 82 5.985 -26.564 11.746 584 H THR 83 H THR 83 3.552 -30.043 9.161 585 HA THR 83 HA THR 83 3.924 -32.771 8.951 586 HB THR 83 HB THR 83 1.734 -31.852 8.614 587 HG1 THR 83 HG1 THR 83 1.146 -33.089 6.862 588 1HG2 THR 83 1HG2 THR 83 3.063 -30.349 6.398 589 2HG2 THR 83 2HG2 THR 83 1.951 -29.769 7.638 590 3HG2 THR 83 3HG2 THR 83 1.344 -30.723 6.285 591 H VAL 84 H VAL 84 4.337 -34.139 7.111 592 HA VAL 84 HA VAL 84 6.601 -33.210 5.572 593 HB VAL 84 HB VAL 84 5.235 -35.905 5.536 594 1HG1 VAL 84 1HG1 VAL 84 6.587 -36.442 3.861 595 2HG1 VAL 84 2HG1 VAL 84 7.190 -34.784 3.824 596 3HG1 VAL 84 3HG1 VAL 84 7.992 -35.993 4.828 597 1HG2 VAL 84 1HG2 VAL 84 6.134 -35.327 7.745 598 2HG2 VAL 84 2HG2 VAL 84 7.036 -36.645 6.997 599 3HG2 VAL 84 3HG2 VAL 84 7.710 -35.015 7.017 600 H VAL 85 H VAL 85 6.595 -32.581 3.506 601 HA VAL 85 HA VAL 85 4.219 -32.014 2.130 602 HB VAL 85 HB VAL 85 6.945 -32.343 0.875 603 1HG1 VAL 85 1HG1 VAL 85 4.563 -30.662 0.099 604 2HG1 VAL 85 2HG1 VAL 85 6.122 -30.685 -0.727 605 3HG1 VAL 85 3HG1 VAL 85 5.108 -32.128 -0.715 606 1HG2 VAL 85 1HG2 VAL 85 7.568 -30.774 2.362 607 2HG2 VAL 85 2HG2 VAL 85 6.682 -29.678 1.302 608 3HG2 VAL 85 3HG2 VAL 85 5.905 -30.329 2.745 609 H GLY 86 H GLY 86 3.138 -33.014 0.468 610 1HA GLY 86 1HA GLY 86 3.427 -35.876 0.314 611 2HA GLY 86 2HA GLY 86 2.219 -34.902 -0.510 612 H ASP 87 H ASP 87 2.339 -35.174 -2.627 613 HA ASP 87 HA ASP 87 4.947 -34.964 -3.932 614 1HB ASP 87 1HB ASP 87 4.103 -37.428 -3.531 615 2HB ASP 87 2HB ASP 87 3.071 -37.077 -4.915 616 H TRP 88 H TRP 88 4.562 -34.973 -6.429 617 HA TRP 88 HA TRP 88 2.524 -32.949 -6.921 618 1HB TRP 88 1HB TRP 88 4.476 -33.923 -8.984 619 2HB TRP 88 2HB TRP 88 3.745 -32.330 -8.813 620 HD1 TRP 88 HD1 TRP 88 6.910 -34.068 -8.221 621 HE1 TRP 88 HE1 TRP 88 8.447 -32.693 -6.680 622 HE3 TRP 88 HE3 TRP 88 3.495 -30.688 -6.474 623 HZ2 TRP 88 HZ2 TRP 88 8.239 -30.471 -4.952 624 HZ3 TRP 88 HZ3 TRP 88 4.245 -28.970 -4.880 625 HH2 TRP 88 HH2 TRP 88 6.569 -28.866 -4.136 626 H LEU 89 H LEU 89 1.974 -33.258 -9.569 627 HA LEU 89 HA LEU 89 0.072 -35.409 -9.514 628 1HB LEU 89 1HB LEU 89 0.702 -33.141 -11.316 629 2HB LEU 89 2HB LEU 89 -0.149 -34.517 -12.014 630 HG LEU 89 HG LEU 89 -1.772 -34.161 -9.991 631 1HD1 LEU 89 1HD1 LEU 89 -0.541 -32.496 -8.803 632 2HD1 LEU 89 2HD1 LEU 89 -1.982 -31.730 -9.471 633 3HD1 LEU 89 3HD1 LEU 89 -0.416 -31.483 -10.242 634 1HD2 LEU 89 1HD2 LEU 89 -1.594 -32.886 -12.641 635 2HD2 LEU 89 2HD2 LEU 89 -2.748 -32.164 -11.519 636 3HD2 LEU 89 3HD2 LEU 89 -2.874 -33.874 -11.936 637 H GLY 90 H GLY 90 3.022 -34.667 -11.332 638 1HA GLY 90 1HA GLY 90 4.336 -35.970 -12.695 639 2HA GLY 90 2HA GLY 90 3.912 -37.267 -11.587 640 H ASP 91 H ASP 91 2.991 -35.626 -14.560 641 HA ASP 91 HA ASP 91 1.364 -37.971 -15.286 642 1HB ASP 91 1HB ASP 91 0.407 -36.363 -17.043 643 2HB ASP 91 2HB ASP 91 -0.057 -36.095 -15.365 644 H ALA 92 H ALA 92 4.078 -38.242 -15.522 645 HA ALA 92 HA ALA 92 4.804 -37.668 -18.284 646 1HB ALA 92 1HB ALA 92 6.985 -38.738 -17.605 647 2HB ALA 92 2HB ALA 92 6.550 -37.264 -16.740 648 3HB ALA 92 3HB ALA 92 6.331 -38.835 -15.970 649 H ARG 93 H ARG 93 6.029 -39.547 -19.409 650 HA ARG 93 HA ARG 93 4.433 -42.007 -19.115 651 1HB ARG 93 1HB ARG 93 4.830 -42.285 -21.612 652 2HB ARG 93 2HB ARG 93 3.706 -41.020 -21.134 653 1HG ARG 93 1HG ARG 93 5.511 -39.359 -21.400 654 2HG ARG 93 2HG ARG 93 6.574 -40.648 -21.969 655 1HD ARG 93 1HD ARG 93 5.485 -39.284 -23.774 656 2HD ARG 93 2HD ARG 93 5.228 -41.025 -23.889 657 HE ARG 93 HE ARG 93 2.988 -40.684 -23.552 658 1HH1 ARG 93 2HH1 ARG 93 4.732 -37.794 -22.700 659 2HH1 ARG 93 1HH1 ARG 93 3.303 -36.833 -22.502 660 1HH2 ARG 93 2HH2 ARG 93 1.100 -39.430 -23.295 661 2HH2 ARG 93 1HH2 ARG 93 1.238 -37.765 -22.840 662 H GLU 94 H GLU 94 5.499 -43.979 -19.888 663 HA GLU 94 HA GLU 94 8.431 -43.831 -19.638 664 1HB GLU 94 1HB GLU 94 6.619 -45.997 -18.558 665 2HB GLU 94 2HB GLU 94 8.375 -45.994 -18.470 666 1HG GLU 94 1HG GLU 94 8.165 -43.824 -17.179 667 2HG GLU 94 2HG GLU 94 6.443 -44.184 -17.060 668 H ASN 95 H ASN 95 9.646 -45.311 -20.852 669 HA ASN 95 HA ASN 95 8.153 -46.576 -23.055 670 1HB ASN 95 1HB ASN 95 10.726 -45.073 -22.968 671 2HB ASN 95 2HB ASN 95 10.587 -46.396 -24.123 672 1HD2 ASN 95 2HD2 ASN 95 9.626 -43.205 -23.307 673 2HD2 ASN 95 1HD2 ASN 95 8.711 -42.878 -24.736 674 H ASP 96 H ASP 96 8.709 -48.644 -23.714 675 HA ASP 96 HA ASP 96 9.769 -50.347 -21.682 676 1HB ASP 96 1HB ASP 96 8.982 -50.918 -24.547 677 2HB ASP 96 2HB ASP 96 9.421 -52.152 -23.369 678 H LEU 97 H LEU 97 11.543 -51.867 -21.997 679 HA LEU 97 HA LEU 97 13.653 -50.828 -23.767 680 1HB LEU 97 1HB LEU 97 15.289 -51.425 -21.994 681 2HB LEU 97 2HB LEU 97 14.214 -50.093 -21.574 682 HG LEU 97 HG LEU 97 13.497 -52.837 -20.665 683 1HD1 LEU 97 1HD1 LEU 97 15.628 -51.119 -19.405 684 2HD1 LEU 97 2HD1 LEU 97 15.836 -52.729 -20.093 685 3HD1 LEU 97 3HD1 LEU 97 14.865 -52.511 -18.637 686 1HD2 LEU 97 1HD2 LEU 97 12.125 -51.747 -19.266 687 2HD2 LEU 97 2HD2 LEU 97 12.374 -50.378 -20.349 688 3HD2 LEU 97 3HD2 LEU 97 13.333 -50.522 -18.875 689 H GLU 98 H GLU 98 15.315 -52.399 -24.328 690 HA GLU 98 HA GLU 98 14.306 -55.167 -24.238 691 1HB GLU 98 1HB GLU 98 14.236 -53.948 -26.490 692 2HB GLU 98 2HB GLU 98 15.992 -54.044 -26.467 693 1HG GLU 98 1HG GLU 98 14.900 -55.836 -27.778 694 2HG GLU 98 2HG GLU 98 15.934 -56.429 -26.479 695 H HIS 99 H HIS 99 15.684 -56.737 -23.615 696 HA HIS 99 HA HIS 99 18.544 -56.313 -23.609 697 1HB HIS 99 1HB HIS 99 17.893 -55.238 -21.506 698 2HB HIS 99 2HB HIS 99 17.042 -56.698 -21.010 699 HD1 HIS 99 HD1 HIS 99 18.346 -57.953 -19.344 700 HD2 HIS 99 HD2 HIS 99 20.808 -56.068 -22.109 701 HE1 HIS 99 HE1 HIS 99 20.694 -58.551 -18.671 702 H HIS 100 H HIS 100 19.464 -58.162 -24.184 703 HA HIS 100 HA HIS 100 18.125 -60.685 -23.462 704 1HB HIS 100 1HB HIS 100 19.043 -61.597 -25.629 705 2HB HIS 100 2HB HIS 100 17.768 -60.395 -25.806 706 HD1 HIS 100 HD1 HIS 100 21.576 -60.467 -25.814 707 HD2 HIS 100 HD2 HIS 100 18.397 -58.453 -27.576 708 HE1 HIS 100 HE1 HIS 100 22.616 -58.897 -27.481 709 H HIS 101 H HIS 101 19.463 -62.471 -23.028 710 HA HIS 101 HA HIS 101 22.046 -61.747 -21.948 711 1HB HIS 101 1HB HIS 101 22.071 -63.999 -21.018 712 2HB HIS 101 2HB HIS 101 20.518 -63.233 -20.698 713 HD1 HIS 101 HD1 HIS 101 22.094 -66.018 -22.619 714 HD2 HIS 101 HD2 HIS 101 18.320 -64.395 -21.998 715 HE1 HIS 101 HE1 HIS 101 20.476 -67.703 -23.550 716 H HIS 102 H HIS 102 24.008 -62.901 -22.432 717 HA HIS 102 HA HIS 102 24.060 -64.129 -25.104 718 1HB HIS 102 1HB HIS 102 26.233 -62.974 -25.511 719 2HB HIS 102 2HB HIS 102 24.865 -61.871 -25.391 720 HD1 HIS 102 HD1 HIS 102 25.243 -59.921 -23.924 721 HD2 HIS 102 HD2 HIS 102 27.684 -63.121 -22.894 722 HE1 HIS 102 HE1 HIS 102 26.717 -59.073 -22.071 723 H HIS 103 H HIS 103 26.020 -65.434 -25.499 724 HA HIS 103 HA HIS 103 26.850 -66.784 -23.022 725 1HB HIS 103 1HB HIS 103 27.471 -68.670 -24.605 726 2HB HIS 103 2HB HIS 103 25.750 -68.325 -24.457 727 HD1 HIS 103 HD1 HIS 103 28.641 -67.695 -26.821 728 HD2 HIS 103 HD2 HIS 103 24.487 -67.770 -26.813 729 HE1 HIS 103 HE1 HIS 103 27.959 -67.448 -29.229 730 H HIS 104 H HIS 104 29.070 -68.033 -23.537 731 HA HIS 104 HA HIS 104 31.072 -66.082 -23.501 732 1HB HIS 104 1HB HIS 104 32.658 -67.942 -23.607 733 2HB HIS 104 2HB HIS 104 31.340 -68.315 -22.501 734 HD1 HIS 104 HD1 HIS 104 29.953 -70.361 -22.998 735 HD2 HIS 104 HD2 HIS 104 32.548 -69.380 -26.091 736 HE1 HIS 104 HE1 HIS 104 29.857 -72.300 -24.596 Start of MODEL 2 1 1H ALA 1 H ALA 1 0.975 1.629 -1.871 2 HA ALA 1 HA ALA 1 3.199 0.756 -2.334 3 1HB ALA 1 1HB ALA 1 2.244 -0.401 0.278 4 2HB ALA 1 2HB ALA 1 3.886 0.084 -0.146 5 3HB ALA 1 3HB ALA 1 2.625 1.304 0.034 6 H GLN 2 H GLN 2 1.246 -1.006 -3.639 7 HA GLN 2 HA GLN 2 1.549 -3.688 -2.947 8 1HB GLN 2 1HB GLN 2 0.071 -2.477 -4.772 9 2HB GLN 2 2HB GLN 2 1.407 -2.914 -5.828 10 1HG GLN 2 1HG GLN 2 0.296 -5.041 -4.096 11 2HG GLN 2 2HG GLN 2 -0.695 -4.487 -5.445 12 1HE2 GLN 2 2HE2 GLN 2 0.709 -7.046 -4.930 13 2HE2 GLN 2 1HE2 GLN 2 1.698 -7.308 -6.322 14 H VAL 3 H VAL 3 3.277 -4.948 -2.887 15 HA VAL 3 HA VAL 3 5.450 -4.472 -4.813 16 HB VAL 3 HB VAL 3 5.814 -5.087 -1.877 17 1HG1 VAL 3 1HG1 VAL 3 7.836 -4.773 -4.092 18 2HG1 VAL 3 2HG1 VAL 3 8.227 -4.869 -2.374 19 3HG1 VAL 3 3HG1 VAL 3 7.478 -6.244 -3.188 20 1HG2 VAL 3 1HG2 VAL 3 5.362 -2.648 -3.067 21 2HG2 VAL 3 2HG2 VAL 3 6.149 -2.907 -1.510 22 3HG2 VAL 3 3HG2 VAL 3 7.122 -2.725 -2.970 23 H ASN 4 H ASN 4 5.839 -6.224 -5.984 24 HA ASN 4 HA ASN 4 5.238 -8.861 -4.812 25 1HB ASN 4 1HB ASN 4 5.045 -9.496 -7.349 26 2HB ASN 4 2HB ASN 4 3.692 -8.719 -6.532 27 1HD2 ASN 4 2HD2 ASN 4 3.351 -6.472 -6.871 28 2HD2 ASN 4 1HD2 ASN 4 3.919 -5.707 -8.313 29 H ILE 5 H ILE 5 7.109 -9.768 -4.244 30 HA ILE 5 HA ILE 5 9.356 -9.620 -6.148 31 HB ILE 5 HB ILE 5 9.545 -9.947 -3.151 32 1HG1 ILE 5 1HG1 ILE 5 10.443 -7.554 -4.743 33 2HG1 ILE 5 2HG1 ILE 5 8.809 -7.665 -4.099 34 1HG2 ILE 5 1HG2 ILE 5 11.402 -11.028 -4.077 35 2HG2 ILE 5 2HG2 ILE 5 11.586 -9.818 -5.346 36 3HG2 ILE 5 3HG2 ILE 5 11.991 -9.415 -3.678 37 1HD1 ILE 5 1HD1 ILE 5 11.339 -7.777 -2.476 38 2HD1 ILE 5 2HD1 ILE 5 10.277 -6.378 -2.643 39 3HD1 ILE 5 3HD1 ILE 5 9.693 -7.839 -1.846 40 H ALA 6 H ALA 6 10.340 -11.484 -6.749 41 HA ALA 6 HA ALA 6 9.001 -13.963 -6.038 42 1HB ALA 6 1HB ALA 6 9.729 -13.203 -8.409 43 2HB ALA 6 2HB ALA 6 11.316 -13.799 -7.924 44 3HB ALA 6 3HB ALA 6 9.932 -14.891 -7.942 45 HA PRO 7 HA PRO 7 12.028 -15.109 -3.026 46 1HB PRO 7 1HB PRO 7 11.369 -17.736 -2.840 47 2HB PRO 7 2HB PRO 7 10.390 -16.447 -2.128 48 1HG PRO 7 1HG PRO 7 9.998 -17.920 -4.705 49 2HG PRO 7 2HG PRO 7 8.797 -17.465 -3.482 50 1HD PRO 7 1HD PRO 7 9.143 -16.067 -5.775 51 2HD PRO 7 2HD PRO 7 8.647 -15.298 -4.254 52 H GLY 8 H GLY 8 13.275 -17.518 -2.825 53 1HA GLY 8 1HA GLY 8 14.612 -19.082 -4.053 54 2HA GLY 8 2HA GLY 8 14.578 -17.980 -5.421 55 H SER 9 H SER 9 15.055 -16.150 -2.716 56 HA SER 9 HA SER 9 17.731 -16.556 -2.036 57 1HB SER 9 1HB SER 9 17.285 -15.036 -4.539 58 2HB SER 9 2HB SER 9 18.429 -14.327 -3.400 59 HG SER 9 HG SER 9 18.810 -16.361 -5.068 60 H LEU 10 H LEU 10 18.051 -15.467 -0.208 61 HA LEU 10 HA LEU 10 16.112 -13.589 0.722 62 1HB LEU 10 1HB LEU 10 17.329 -15.222 2.159 63 2HB LEU 10 2HB LEU 10 18.790 -14.264 1.927 64 HG LEU 10 HG LEU 10 16.396 -12.890 3.027 65 1HD1 LEU 10 1HD1 LEU 10 17.046 -15.273 4.147 66 2HD1 LEU 10 2HD1 LEU 10 16.346 -13.912 5.022 67 3HD1 LEU 10 3HD1 LEU 10 18.090 -14.173 5.048 68 1HD2 LEU 10 1HD2 LEU 10 18.890 -12.073 2.506 69 2HD2 LEU 10 2HD2 LEU 10 19.116 -12.643 4.160 70 3HD2 LEU 10 3HD2 LEU 10 17.912 -11.402 3.811 71 H ASP 11 H ASP 11 19.543 -13.349 -0.170 72 HA ASP 11 HA ASP 11 19.900 -10.636 0.349 73 1HB ASP 11 1HB ASP 11 21.812 -10.749 -1.157 74 2HB ASP 11 2HB ASP 11 21.741 -12.203 -0.164 75 H LYS 12 H LYS 12 18.757 -12.255 -2.586 76 HA LYS 12 HA LYS 12 18.560 -9.923 -4.172 77 1HB LYS 12 1HB LYS 12 18.288 -11.556 -5.675 78 2HB LYS 12 2HB LYS 12 17.911 -12.725 -4.417 79 1HG LYS 12 1HG LYS 12 15.582 -12.058 -4.453 80 2HG LYS 12 2HG LYS 12 15.939 -10.814 -5.654 81 1HD LYS 12 1HD LYS 12 16.479 -13.741 -6.110 82 2HD LYS 12 2HD LYS 12 14.956 -12.964 -6.547 83 1HE LYS 12 1HE LYS 12 16.914 -11.300 -7.601 84 2HE LYS 12 2HE LYS 12 17.514 -12.929 -7.907 85 1HZ LYS 12 1HZ LYS 12 14.707 -12.373 -8.512 86 2HZ LYS 12 2HZ LYS 12 15.797 -13.402 -9.295 87 3HZ LYS 12 3HZ LYS 12 15.875 -11.732 -9.555 88 H ALA 13 H ALA 13 16.250 -11.610 -2.092 89 HA ALA 13 HA ALA 13 14.012 -10.000 -2.746 90 1HB ALA 13 1HB ALA 13 13.870 -12.241 -1.696 91 2HB ALA 13 2HB ALA 13 14.484 -11.541 -0.198 92 3HB ALA 13 3HB ALA 13 12.934 -11.010 -0.849 93 H LEU 14 H LEU 14 16.592 -9.707 -0.387 94 HA LEU 14 HA LEU 14 15.468 -7.725 1.246 95 1HB LEU 14 1HB LEU 14 17.343 -8.613 2.187 96 2HB LEU 14 2HB LEU 14 18.208 -8.691 0.653 97 HG LEU 14 HG LEU 14 18.596 -6.260 0.777 98 1HD1 LEU 14 1HD1 LEU 14 16.815 -5.419 2.040 99 2HD1 LEU 14 2HD1 LEU 14 18.223 -5.236 3.085 100 3HD1 LEU 14 3HD1 LEU 14 17.091 -6.561 3.356 101 1HD2 LEU 14 1HD2 LEU 14 19.586 -7.233 3.388 102 2HD2 LEU 14 2HD2 LEU 14 20.461 -6.510 2.037 103 3HD2 LEU 14 3HD2 LEU 14 19.986 -8.208 1.974 104 H ASN 15 H ASN 15 17.697 -7.388 -1.516 105 HA ASN 15 HA ASN 15 17.667 -4.569 -1.550 106 1HB ASN 15 1HB ASN 15 18.276 -6.554 -3.750 107 2HB ASN 15 2HB ASN 15 18.573 -4.822 -3.866 108 1HD2 ASN 15 2HD2 ASN 15 19.812 -7.794 -2.928 109 2HD2 ASN 15 1HD2 ASN 15 21.213 -7.233 -2.086 110 H GLN 16 H GLN 16 15.578 -6.981 -2.982 111 HA GLN 16 HA GLN 16 14.259 -5.395 -4.870 112 1HB GLN 16 1HB GLN 16 13.408 -7.816 -3.298 113 2HB GLN 16 2HB GLN 16 12.333 -7.044 -4.456 114 1HG GLN 16 1HG GLN 16 15.027 -7.664 -5.453 115 2HG GLN 16 2HG GLN 16 14.021 -9.055 -5.053 116 1HE2 GLN 16 2HE2 GLN 16 13.331 -9.822 -6.929 117 2HE2 GLN 16 1HE2 GLN 16 12.556 -8.901 -8.169 118 H TYR 17 H TYR 17 13.222 -6.208 -1.555 119 HA TYR 17 HA TYR 17 11.080 -4.320 -1.593 120 1HB TYR 17 1HB TYR 17 10.489 -5.185 0.439 121 2HB TYR 17 2HB TYR 17 11.515 -6.502 -0.119 122 HD1 TYR 17 HD1 TYR 17 13.678 -6.907 0.888 123 HD2 TYR 17 HD2 TYR 17 11.254 -3.660 2.185 124 HE1 TYR 17 HE1 TYR 17 15.096 -6.653 2.881 125 HE2 TYR 17 HE2 TYR 17 12.666 -3.396 4.181 126 HH TYR 17 HH TYR 17 15.157 -5.708 4.989 127 H ALA 18 H ALA 18 14.384 -4.320 -0.392 128 HA ALA 18 HA ALA 18 14.277 -1.980 1.150 129 1HB ALA 18 1HB ALA 18 16.689 -1.941 0.982 130 2HB ALA 18 2HB ALA 18 16.134 -3.599 1.213 131 3HB ALA 18 3HB ALA 18 16.639 -3.053 -0.386 132 H ALA 19 H ALA 19 14.614 -2.484 -2.297 133 HA ALA 19 HA ALA 19 15.356 0.234 -2.869 134 1HB ALA 19 1HB ALA 19 16.092 -1.538 -4.342 135 2HB ALA 19 2HB ALA 19 14.420 -1.980 -4.690 136 3HB ALA 19 3HB ALA 19 15.050 -0.421 -5.223 137 H HIS 20 H HIS 20 12.395 -1.582 -2.613 138 HA HIS 20 HA HIS 20 10.761 0.355 -3.957 139 1HB HIS 20 1HB HIS 20 9.203 -1.254 -3.869 140 2HB HIS 20 2HB HIS 20 10.434 -2.283 -3.142 141 HD1 HIS 20 HD1 HIS 20 7.637 0.058 -2.122 142 HD2 HIS 20 HD2 HIS 20 9.906 -3.061 -0.578 143 HE1 HIS 20 HE1 HIS 20 6.591 -0.500 0.096 144 H SER 21 H SER 21 11.908 -0.133 -0.724 145 HA SER 21 HA SER 21 9.969 1.672 0.453 146 1HB SER 21 1HB SER 21 10.612 -0.112 1.881 147 2HB SER 21 2HB SER 21 12.326 0.145 1.557 148 HG SER 21 HG SER 21 10.790 2.186 2.733 149 H GLY 22 H GLY 22 13.528 1.620 0.156 150 1HA GLY 22 1HA GLY 22 14.720 3.533 -0.706 151 2HA GLY 22 2HA GLY 22 13.445 4.558 -0.065 152 H PHE 23 H PHE 23 14.648 1.952 1.870 153 HA PHE 23 HA PHE 23 16.143 3.891 3.510 154 1HB PHE 23 1HB PHE 23 15.303 2.961 5.485 155 2HB PHE 23 2HB PHE 23 13.901 2.977 4.420 156 HD1 PHE 23 HD1 PHE 23 15.739 1.046 6.664 157 HD2 PHE 23 HD2 PHE 23 13.613 0.765 2.988 158 HE1 PHE 23 HE1 PHE 23 15.448 -1.370 7.022 159 HE2 PHE 23 HE2 PHE 23 13.318 -1.652 3.340 160 HZ PHE 23 HZ PHE 23 14.234 -2.723 5.359 161 H THR 24 H THR 24 17.677 2.715 5.067 162 HA THR 24 HA THR 24 19.167 0.725 3.498 163 HB THR 24 HB THR 24 20.210 2.367 5.809 164 HG1 THR 24 HG1 THR 24 20.718 3.906 4.400 165 1HG2 THR 24 1HG2 THR 24 21.737 0.671 5.581 166 2HG2 THR 24 2HG2 THR 24 22.371 1.808 4.391 167 3HG2 THR 24 3HG2 THR 24 21.388 0.440 3.869 168 H LEU 25 H LEU 25 19.970 -1.152 4.458 169 HA LEU 25 HA LEU 25 19.065 -1.763 7.177 170 1HB LEU 25 1HB LEU 25 17.375 -2.634 5.632 171 2HB LEU 25 2HB LEU 25 18.624 -3.544 4.784 172 HG LEU 25 HG LEU 25 18.890 -4.453 7.353 173 1HD1 LEU 25 1HD1 LEU 25 16.580 -3.092 7.549 174 2HD1 LEU 25 2HD1 LEU 25 16.940 -4.547 8.478 175 3HD1 LEU 25 3HD1 LEU 25 15.971 -4.657 7.009 176 1HD2 LEU 25 1HD2 LEU 25 18.894 -5.803 5.327 177 2HD2 LEU 25 2HD2 LEU 25 17.156 -5.565 5.149 178 3HD2 LEU 25 3HD2 LEU 25 17.786 -6.475 6.523 179 H SER 26 H SER 26 20.503 -2.892 8.356 180 HA SER 26 HA SER 26 22.854 -3.978 6.947 181 1HB SER 26 1HB SER 26 22.878 -1.885 8.712 182 2HB SER 26 2HB SER 26 23.224 -3.249 9.775 183 HG SER 26 HG SER 26 25.109 -3.499 8.851 184 H VAL 27 H VAL 27 22.501 -6.120 6.892 185 HA VAL 27 HA VAL 27 22.045 -7.475 9.464 186 HB VAL 27 HB VAL 27 19.940 -7.644 8.370 187 1HG1 VAL 27 1HG1 VAL 27 21.586 -8.166 5.936 188 2HG1 VAL 27 2HG1 VAL 27 19.942 -8.800 6.027 189 3HG1 VAL 27 3HG1 VAL 27 20.228 -7.064 6.160 190 1HG2 VAL 27 1HG2 VAL 27 21.199 -9.776 9.258 191 2HG2 VAL 27 2HG2 VAL 27 19.633 -9.915 8.459 192 3HG2 VAL 27 3HG2 VAL 27 21.113 -10.261 7.565 193 H ASP 28 H ASP 28 23.270 -9.255 9.840 194 HA ASP 28 HA ASP 28 25.674 -9.636 8.531 195 1HB ASP 28 1HB ASP 28 24.044 -11.379 10.350 196 2HB ASP 28 2HB ASP 28 25.527 -11.999 9.630 197 H ALA 29 H ALA 29 26.009 -10.212 6.495 198 HA ALA 29 HA ALA 29 24.085 -11.646 4.947 199 1HB ALA 29 1HB ALA 29 26.924 -11.299 4.081 200 2HB ALA 29 2HB ALA 29 25.443 -11.242 3.124 201 3HB ALA 29 3HB ALA 29 25.855 -9.900 4.191 202 H SER 30 H SER 30 26.365 -12.645 7.176 203 HA SER 30 HA SER 30 27.517 -14.918 6.092 204 1HB SER 30 1HB SER 30 28.325 -14.335 8.204 205 2HB SER 30 2HB SER 30 26.707 -14.168 8.885 206 HG SER 30 HG SER 30 27.294 -16.084 9.650 207 H LEU 31 H LEU 31 24.390 -14.601 7.748 208 HA LEU 31 HA LEU 31 23.719 -17.365 7.220 209 1HB LEU 31 1HB LEU 31 21.673 -15.427 8.142 210 2HB LEU 31 2HB LEU 31 21.964 -17.090 8.647 211 HG LEU 31 HG LEU 31 24.167 -15.886 9.645 212 1HD1 LEU 31 1HD1 LEU 31 23.031 -13.693 8.799 213 2HD1 LEU 31 2HD1 LEU 31 23.818 -13.737 10.376 214 3HD1 LEU 31 3HD1 LEU 31 22.063 -13.866 10.263 215 1HD2 LEU 31 1HD2 LEU 31 21.675 -15.727 11.264 216 2HD2 LEU 31 2HD2 LEU 31 23.266 -16.353 11.697 217 3HD2 LEU 31 3HD2 LEU 31 22.196 -17.302 10.664 218 H THR 32 H THR 32 23.024 -14.211 5.894 219 HA THR 32 HA THR 32 20.760 -14.755 4.379 220 HB THR 32 HB THR 32 23.069 -12.910 3.746 221 HG1 THR 32 HG1 THR 32 22.017 -11.517 4.971 222 1HG2 THR 32 1HG2 THR 32 22.142 -12.801 1.698 223 2HG2 THR 32 2HG2 THR 32 20.879 -11.861 2.493 224 3HG2 THR 32 3HG2 THR 32 20.656 -13.589 2.225 225 H ARG 33 H ARG 33 24.179 -15.225 3.558 226 HA ARG 33 HA ARG 33 23.904 -16.001 0.911 227 1HB ARG 33 1HB ARG 33 26.056 -17.070 1.129 228 2HB ARG 33 2HB ARG 33 26.063 -15.585 2.071 229 1HG ARG 33 1HG ARG 33 26.881 -16.820 3.727 230 2HG ARG 33 2HG ARG 33 25.248 -17.467 3.899 231 1HD ARG 33 1HD ARG 33 26.274 -19.449 3.607 232 2HD ARG 33 2HD ARG 33 26.188 -19.020 1.899 233 HE ARG 33 HE ARG 33 28.462 -18.823 1.882 234 1HH1 ARG 33 2HH1 ARG 33 27.349 -18.692 5.178 235 2HH1 ARG 33 1HH1 ARG 33 28.944 -18.712 5.855 236 1HH2 ARG 33 2HH2 ARG 33 30.567 -18.850 2.761 237 2HH2 ARG 33 1HH2 ARG 33 30.773 -18.801 4.479 238 H GLY 34 H GLY 34 23.052 -17.715 -0.081 239 1HA GLY 34 1HA GLY 34 22.450 -19.939 -0.423 240 2HA GLY 34 2HA GLY 34 22.945 -20.300 1.224 241 H LYS 35 H LYS 35 21.432 -18.735 2.773 242 HA LYS 35 HA LYS 35 18.987 -20.039 2.910 243 1HB LYS 35 1HB LYS 35 20.285 -18.471 4.607 244 2HB LYS 35 2HB LYS 35 19.194 -17.253 3.960 245 1HG LYS 35 1HG LYS 35 17.286 -18.423 4.714 246 2HG LYS 35 2HG LYS 35 18.228 -19.873 5.068 247 1HD LYS 35 1HD LYS 35 17.664 -18.658 7.113 248 2HD LYS 35 2HD LYS 35 19.408 -18.682 6.844 249 1HE LYS 35 1HE LYS 35 19.519 -16.454 6.627 250 2HE LYS 35 2HE LYS 35 18.061 -16.386 5.638 251 1HZ LYS 35 1HZ LYS 35 18.084 -15.319 7.984 252 2HZ LYS 35 2HZ LYS 35 17.826 -16.901 8.522 253 3HZ LYS 35 3HZ LYS 35 16.718 -16.175 7.469 254 H GLN 36 H GLN 36 16.803 -19.095 2.719 255 HA GLN 36 HA GLN 36 16.608 -17.182 0.490 256 1HB GLN 36 1HB GLN 36 14.760 -18.435 -0.439 257 2HB GLN 36 2HB GLN 36 16.153 -19.495 -0.270 258 1HG GLN 36 1HG GLN 36 13.988 -19.368 1.801 259 2HG GLN 36 2HG GLN 36 13.886 -20.424 0.393 260 1HE2 GLN 36 2HE2 GLN 36 14.777 -20.273 3.548 261 2HE2 GLN 36 1HE2 GLN 36 15.878 -21.604 3.604 262 H SER 37 H SER 37 14.135 -16.516 0.304 263 HA SER 37 HA SER 37 12.933 -16.150 2.935 264 1HB SER 37 1HB SER 37 13.897 -14.109 3.123 265 2HB SER 37 2HB SER 37 14.293 -14.032 1.406 266 HG SER 37 HG SER 37 11.680 -13.657 2.443 267 H ASN 38 H ASN 38 10.740 -15.320 2.831 268 HA ASN 38 HA ASN 38 9.336 -16.380 0.548 269 1HB ASN 38 1HB ASN 38 8.542 -15.287 3.220 270 2HB ASN 38 2HB ASN 38 7.328 -15.415 1.951 271 1HD2 ASN 38 2HD2 ASN 38 7.299 -17.596 0.836 272 2HD2 ASN 38 1HD2 ASN 38 7.421 -18.981 1.861 273 H GLY 39 H GLY 39 9.216 -15.202 -1.253 274 1HA GLY 39 1HA GLY 39 9.652 -12.510 -1.579 275 2HA GLY 39 2HA GLY 39 8.641 -13.468 -2.650 276 H LEU 40 H LEU 40 8.317 -10.689 -1.886 277 HA LEU 40 HA LEU 40 6.043 -10.633 -0.091 278 1HB LEU 40 1HB LEU 40 7.848 -8.852 -0.248 279 2HB LEU 40 2HB LEU 40 7.088 -8.362 -1.761 280 HG LEU 40 HG LEU 40 5.046 -7.787 -0.577 281 1HD1 LEU 40 1HD1 LEU 40 6.187 -9.419 1.471 282 2HD1 LEU 40 2HD1 LEU 40 4.563 -8.741 1.362 283 3HD1 LEU 40 3HD1 LEU 40 5.856 -7.811 2.118 284 1HD2 LEU 40 1HD2 LEU 40 7.331 -6.558 0.937 285 2HD2 LEU 40 2HD2 LEU 40 5.805 -5.817 0.454 286 3HD2 LEU 40 3HD2 LEU 40 7.025 -6.197 -0.762 287 H HIS 41 H HIS 41 3.967 -9.800 -0.691 288 HA HIS 41 HA HIS 41 3.272 -9.486 -3.458 289 1HB HIS 41 1HB HIS 41 3.287 -12.097 -2.528 290 2HB HIS 41 2HB HIS 41 1.598 -11.619 -2.379 291 HD1 HIS 41 HD1 HIS 41 0.547 -12.762 -4.329 292 HD2 HIS 41 HD2 HIS 41 3.996 -10.701 -5.385 293 HE1 HIS 41 HE1 HIS 41 0.666 -12.892 -6.837 294 H GLY 42 H GLY 42 2.237 -7.602 -3.049 295 1HA GLY 42 1HA GLY 42 -0.185 -6.998 -2.641 296 2HA GLY 42 2HA GLY 42 0.078 -7.658 -1.034 297 H ASP 43 H ASP 43 -0.790 -5.355 -0.669 298 HA ASP 43 HA ASP 43 1.236 -3.286 -0.905 299 1HB ASP 43 1HB ASP 43 -0.534 -1.858 0.193 300 2HB ASP 43 2HB ASP 43 -0.992 -2.558 -1.357 301 H TYR 44 H TYR 44 2.826 -3.279 0.540 302 HA TYR 44 HA TYR 44 2.144 -3.386 3.377 303 1HB TYR 44 1HB TYR 44 4.286 -5.119 2.125 304 2HB TYR 44 2HB TYR 44 3.999 -4.945 3.853 305 HD1 TYR 44 HD1 TYR 44 3.200 -6.795 0.930 306 HD2 TYR 44 HD2 TYR 44 1.643 -5.602 4.706 307 HE1 TYR 44 HE1 TYR 44 1.579 -8.643 0.838 308 HE2 TYR 44 HE2 TYR 44 0.018 -7.447 4.625 309 HH TYR 44 HH TYR 44 0.177 -9.973 3.076 310 H ASP 45 H ASP 45 3.187 -1.874 4.505 311 HA ASP 45 HA ASP 45 4.819 0.042 3.269 312 1HB ASP 45 1HB ASP 45 4.731 -0.501 6.237 313 2HB ASP 45 2HB ASP 45 5.067 1.028 5.430 314 H VAL 46 H VAL 46 6.980 0.615 4.693 315 HA VAL 46 HA VAL 46 8.943 -1.138 3.737 316 HB VAL 46 HB VAL 46 9.504 1.160 4.169 317 1HG1 VAL 46 1HG1 VAL 46 9.198 0.647 7.118 318 2HG1 VAL 46 2HG1 VAL 46 9.480 2.187 6.303 319 3HG1 VAL 46 3HG1 VAL 46 7.927 1.367 6.131 320 1HG2 VAL 46 1HG2 VAL 46 11.253 -0.625 4.426 321 2HG2 VAL 46 2HG2 VAL 46 11.607 0.893 5.251 322 3HG2 VAL 46 3HG2 VAL 46 11.028 -0.496 6.171 323 H GLU 47 H GLU 47 7.629 -0.717 7.011 324 HA GLU 47 HA GLU 47 9.261 -2.774 8.144 325 1HB GLU 47 1HB GLU 47 6.800 -1.350 9.165 326 2HB GLU 47 2HB GLU 47 7.702 -2.530 10.106 327 1HG GLU 47 1HG GLU 47 9.441 -1.123 10.474 328 2HG GLU 47 2HG GLU 47 9.226 -0.276 8.943 329 H SER 48 H SER 48 5.790 -2.561 7.366 330 HA SER 48 HA SER 48 5.064 -5.143 8.073 331 1HB SER 48 1HB SER 48 3.733 -3.010 7.049 332 2HB SER 48 2HB SER 48 3.759 -4.075 5.644 333 HG SER 48 HG SER 48 2.406 -4.327 8.035 334 H GLY 49 H GLY 49 6.079 -3.948 4.871 335 1HA GLY 49 1HA GLY 49 5.980 -6.455 3.581 336 2HA GLY 49 2HA GLY 49 6.888 -5.055 3.030 337 H LEU 50 H LEU 50 8.615 -4.774 5.241 338 HA LEU 50 HA LEU 50 10.703 -6.478 4.521 339 1HB LEU 50 1HB LEU 50 11.445 -4.571 5.544 340 2HB LEU 50 2HB LEU 50 10.185 -4.613 6.776 341 HG LEU 50 HG LEU 50 11.386 -6.375 7.960 342 1HD1 LEU 50 1HD1 LEU 50 12.583 -6.886 5.545 343 2HD1 LEU 50 2HD1 LEU 50 13.071 -7.557 7.101 344 3HD1 LEU 50 3HD1 LEU 50 13.875 -6.120 6.469 345 1HD2 LEU 50 1HD2 LEU 50 12.325 -3.690 7.544 346 2HD2 LEU 50 2HD2 LEU 50 13.672 -4.763 7.924 347 3HD2 LEU 50 3HD2 LEU 50 12.297 -4.651 9.023 348 H GLN 51 H GLN 51 8.649 -6.572 7.432 349 HA GLN 51 HA GLN 51 9.756 -8.926 8.500 350 1HB GLN 51 1HB GLN 51 6.961 -7.837 8.875 351 2HB GLN 51 2HB GLN 51 7.759 -9.013 9.911 352 1HG GLN 51 1HG GLN 51 9.254 -6.526 9.542 353 2HG GLN 51 2HG GLN 51 7.694 -6.331 10.342 354 1HE2 GLN 51 2HE2 GLN 51 10.730 -8.113 10.452 355 2HE2 GLN 51 1HE2 GLN 51 10.718 -8.387 12.157 356 H GLN 52 H GLN 52 7.430 -8.386 5.994 357 HA GLN 52 HA GLN 52 6.255 -10.984 6.034 358 1HB GLN 52 1HB GLN 52 5.980 -8.552 4.506 359 2HB GLN 52 2HB GLN 52 6.026 -9.945 3.433 360 1HG GLN 52 1HG GLN 52 4.106 -9.422 5.684 361 2HG GLN 52 2HG GLN 52 3.755 -9.513 3.959 362 1HE2 GLN 52 2HE2 GLN 52 4.713 -11.710 3.034 363 2HE2 GLN 52 1HE2 GLN 52 4.179 -13.109 3.895 364 H LEU 53 H LEU 53 9.094 -9.594 4.579 365 HA LEU 53 HA LEU 53 9.534 -11.687 2.684 366 1HB LEU 53 1HB LEU 53 10.720 -9.191 3.368 367 2HB LEU 53 2HB LEU 53 11.979 -10.424 3.362 368 HG LEU 53 HG LEU 53 11.685 -10.877 1.084 369 1HD1 LEU 53 1HD1 LEU 53 9.533 -11.126 0.488 370 2HD1 LEU 53 2HD1 LEU 53 9.673 -9.440 -0.008 371 3HD1 LEU 53 3HD1 LEU 53 8.976 -9.841 1.561 372 1HD2 LEU 53 1HD2 LEU 53 11.168 -7.916 1.293 373 2HD2 LEU 53 2HD2 LEU 53 12.018 -8.774 0.007 374 3HD2 LEU 53 3HD2 LEU 53 12.730 -8.668 1.618 375 H LEU 54 H LEU 54 11.105 -10.843 5.772 376 HA LEU 54 HA LEU 54 12.555 -13.325 5.845 377 1HB LEU 54 1HB LEU 54 13.775 -12.353 7.444 378 2HB LEU 54 2HB LEU 54 12.942 -10.878 6.959 379 HG LEU 54 HG LEU 54 12.289 -12.653 9.307 380 1HD1 LEU 54 1HD1 LEU 54 13.187 -9.779 9.151 381 2HD1 LEU 54 2HD1 LEU 54 14.201 -11.147 9.606 382 3HD1 LEU 54 3HD1 LEU 54 12.835 -10.688 10.621 383 1HD2 LEU 54 1HD2 LEU 54 10.185 -11.959 9.077 384 2HD2 LEU 54 2HD2 LEU 54 10.618 -10.820 7.801 385 3HD2 LEU 54 3HD2 LEU 54 10.771 -10.349 9.495 386 H ASP 55 H ASP 55 9.403 -12.538 6.458 387 HA ASP 55 HA ASP 55 8.655 -13.703 8.817 388 1HB ASP 55 1HB ASP 55 6.914 -12.725 7.610 389 2HB ASP 55 2HB ASP 55 7.326 -13.586 6.129 390 H GLY 56 H GLY 56 9.140 -15.607 9.674 391 1HA GLY 56 1HA GLY 56 8.506 -18.056 9.236 392 2HA GLY 56 2HA GLY 56 9.594 -17.889 7.866 393 H SER 57 H SER 57 11.082 -15.984 9.910 394 HA SER 57 HA SER 57 12.645 -18.177 11.103 395 1HB SER 57 1HB SER 57 14.461 -16.318 11.195 396 2HB SER 57 2HB SER 57 14.105 -17.077 9.643 397 HG SER 57 HG SER 57 12.844 -14.693 10.501 398 H GLY 58 H GLY 58 11.180 -15.032 11.688 399 1HA GLY 58 1HA GLY 58 10.407 -14.133 13.671 400 2HA GLY 58 2HA GLY 58 10.900 -15.611 14.483 401 H LEU 59 H LEU 59 11.964 -12.462 13.360 402 HA LEU 59 HA LEU 59 14.108 -12.554 15.364 403 1HB LEU 59 1HB LEU 59 14.326 -11.865 12.465 404 2HB LEU 59 2HB LEU 59 15.390 -11.083 13.632 405 HG LEU 59 HG LEU 59 15.728 -13.704 14.277 406 1HD1 LEU 59 1HD1 LEU 59 14.306 -13.953 12.000 407 2HD1 LEU 59 2HD1 LEU 59 15.508 -15.123 12.545 408 3HD1 LEU 59 3HD1 LEU 59 15.945 -13.902 11.349 409 1HD2 LEU 59 1HD2 LEU 59 17.735 -12.742 14.068 410 2HD2 LEU 59 2HD2 LEU 59 17.181 -11.648 12.800 411 3HD2 LEU 59 3HD2 LEU 59 17.676 -13.292 12.394 412 H GLN 60 H GLN 60 15.056 -10.231 15.607 413 HA GLN 60 HA GLN 60 12.766 -8.394 15.803 414 1HB GLN 60 1HB GLN 60 13.756 -7.429 17.714 415 2HB GLN 60 2HB GLN 60 13.960 -9.164 17.916 416 1HG GLN 60 1HG GLN 60 16.255 -8.424 16.602 417 2HG GLN 60 2HG GLN 60 15.952 -7.061 17.678 418 1HE2 GLN 60 2HE2 GLN 60 16.713 -10.435 17.464 419 2HE2 GLN 60 1HE2 GLN 60 17.136 -10.657 19.124 420 H VAL 61 H VAL 61 12.943 -6.279 15.117 421 HA VAL 61 HA VAL 61 15.401 -5.586 13.646 422 HB VAL 61 HB VAL 61 12.667 -4.703 12.752 423 1HG1 VAL 61 1HG1 VAL 61 14.831 -5.078 10.815 424 2HG1 VAL 61 2HG1 VAL 61 13.722 -3.722 11.033 425 3HG1 VAL 61 3HG1 VAL 61 15.162 -3.857 12.044 426 1HG2 VAL 61 1HG2 VAL 61 13.891 -7.337 12.493 427 2HG2 VAL 61 2HG2 VAL 61 12.227 -6.828 12.205 428 3HG2 VAL 61 3HG2 VAL 61 13.444 -6.620 10.945 429 H LYS 62 H LYS 62 16.318 -3.781 14.345 430 HA LYS 62 HA LYS 62 14.629 -1.641 15.431 431 1HB LYS 62 1HB LYS 62 16.486 -1.271 17.157 432 2HB LYS 62 2HB LYS 62 15.394 -2.624 17.423 433 1HG LYS 62 1HG LYS 62 17.819 -3.252 15.886 434 2HG LYS 62 2HG LYS 62 18.081 -2.786 17.569 435 1HD LYS 62 1HD LYS 62 15.975 -4.797 16.893 436 2HD LYS 62 2HD LYS 62 17.669 -5.289 16.956 437 1HE LYS 62 1HE LYS 62 16.658 -3.680 19.225 438 2HE LYS 62 2HE LYS 62 16.047 -5.329 19.089 439 1HZ LYS 62 1HZ LYS 62 17.998 -6.172 19.714 440 2HZ LYS 62 2HZ LYS 62 18.378 -4.616 20.259 441 3HZ LYS 62 3HZ LYS 62 18.892 -5.126 18.730 442 HA PRO 63 HA PRO 63 17.055 0.895 12.766 443 1HB PRO 63 1HB PRO 63 16.522 3.305 13.898 444 2HB PRO 63 2HB PRO 63 15.345 2.422 12.918 445 1HG PRO 63 1HG PRO 63 15.584 2.590 15.898 446 2HG PRO 63 2HG PRO 63 14.130 2.671 14.885 447 1HD PRO 63 1HD PRO 63 14.867 0.421 16.199 448 2HD PRO 63 2HD PRO 63 14.022 0.382 14.638 449 H LEU 64 H LEU 64 18.894 2.327 12.775 450 HA LEU 64 HA LEU 64 20.422 2.280 15.293 451 1HB LEU 64 1HB LEU 64 21.797 2.203 12.648 452 2HB LEU 64 2HB LEU 64 22.361 1.643 14.221 453 HG LEU 64 HG LEU 64 20.247 0.261 12.571 454 1HD1 LEU 64 1HD1 LEU 64 22.425 0.212 11.457 455 2HD1 LEU 64 2HD1 LEU 64 21.961 -1.382 12.051 456 3HD1 LEU 64 3HD1 LEU 64 23.160 -0.430 12.926 457 1HD2 LEU 64 1HD2 LEU 64 19.805 -0.659 14.568 458 2HD2 LEU 64 2HD2 LEU 64 21.322 -0.101 15.274 459 3HD2 LEU 64 3HD2 LEU 64 21.292 -1.567 14.293 460 H GLY 65 H GLY 65 20.568 3.781 12.052 461 1HA GLY 65 1HA GLY 65 20.864 6.390 13.396 462 2HA GLY 65 2HA GLY 65 21.947 5.927 12.093 463 H ASN 66 H ASN 66 21.428 6.613 10.129 464 HA ASN 66 HA ASN 66 18.987 8.020 9.671 465 1HB ASN 66 1HB ASN 66 21.478 8.100 8.547 466 2HB ASN 66 2HB ASN 66 20.562 7.252 7.305 467 1HD2 ASN 66 2HD2 ASN 66 18.301 8.317 6.975 468 2HD2 ASN 66 1HD2 ASN 66 18.343 10.030 6.753 469 H ASN 67 H ASN 67 17.275 6.598 9.895 470 HA ASN 67 HA ASN 67 15.849 4.876 9.399 471 1HB ASN 67 1HB ASN 67 16.088 6.566 7.266 472 2HB ASN 67 2HB ASN 67 16.437 5.011 6.516 473 1HD2 ASN 67 2HD2 ASN 67 14.843 3.256 7.597 474 2HD2 ASN 67 1HD2 ASN 67 13.178 3.688 7.435 475 H SER 68 H SER 68 18.584 4.060 9.922 476 HA SER 68 HA SER 68 18.960 1.797 8.104 477 1HB SER 68 1HB SER 68 20.914 1.969 10.236 478 2HB SER 68 2HB SER 68 21.156 2.053 8.491 479 HG SER 68 HG SER 68 21.643 3.982 9.947 480 H TRP 69 H TRP 69 17.929 -0.010 8.615 481 HA TRP 69 HA TRP 69 17.473 -0.638 11.449 482 1HB TRP 69 1HB TRP 69 16.128 -1.785 8.992 483 2HB TRP 69 2HB TRP 69 15.717 -2.159 10.664 484 HD1 TRP 69 HD1 TRP 69 16.029 1.145 8.622 485 HE1 TRP 69 HE1 TRP 69 13.994 2.613 9.196 486 HE3 TRP 69 HE3 TRP 69 13.703 -1.959 11.953 487 HZ2 TRP 69 HZ2 TRP 69 11.706 2.474 10.844 488 HZ3 TRP 69 HZ3 TRP 69 11.596 -1.216 12.984 489 HH2 TRP 69 HH2 TRP 69 10.620 0.955 12.440 490 H THR 70 H THR 70 17.821 -2.788 12.208 491 HA THR 70 HA THR 70 19.570 -4.452 10.535 492 HB THR 70 HB THR 70 20.982 -3.096 12.075 493 HG1 THR 70 HG1 THR 70 21.976 -4.959 11.602 494 1HG2 THR 70 1HG2 THR 70 19.446 -2.895 13.951 495 2HG2 THR 70 2HG2 THR 70 20.949 -3.652 14.479 496 3HG2 THR 70 3HG2 THR 70 19.509 -4.637 14.216 497 H LEU 71 H LEU 71 19.570 -6.676 11.043 498 HA LEU 71 HA LEU 71 17.226 -7.517 12.604 499 1HB LEU 71 1HB LEU 71 18.451 -8.417 10.105 500 2HB LEU 71 2HB LEU 71 18.033 -9.728 11.206 501 HG LEU 71 HG LEU 71 16.267 -9.298 9.563 502 1HD1 LEU 71 1HD1 LEU 71 15.558 -8.606 12.410 503 2HD1 LEU 71 2HD1 LEU 71 15.625 -10.217 11.695 504 3HD1 LEU 71 3HD1 LEU 71 14.398 -9.067 11.163 505 1HD2 LEU 71 1HD2 LEU 71 16.168 -6.570 10.844 506 2HD2 LEU 71 2HD2 LEU 71 14.944 -7.213 9.749 507 3HD2 LEU 71 3HD2 LEU 71 16.589 -6.944 9.173 508 H GLU 72 H GLU 72 17.458 -8.742 14.372 509 HA GLU 72 HA GLU 72 20.070 -10.003 14.867 510 1HB GLU 72 1HB GLU 72 18.506 -8.159 16.627 511 2HB GLU 72 2HB GLU 72 19.468 -9.431 17.366 512 1HG GLU 72 1HG GLU 72 20.627 -7.500 15.387 513 2HG GLU 72 2HG GLU 72 20.550 -7.153 17.113 514 HA PRO 73 HA PRO 73 17.886 -13.657 15.927 515 1HB PRO 73 1HB PRO 73 19.422 -14.670 17.923 516 2HB PRO 73 2HB PRO 73 19.930 -14.663 16.230 517 1HG PRO 73 1HG PRO 73 20.674 -12.784 18.438 518 2HG PRO 73 2HG PRO 73 21.705 -13.508 17.189 519 1HD PRO 73 1HD PRO 73 20.780 -10.969 17.022 520 2HD PRO 73 2HD PRO 73 21.056 -11.981 15.590 521 H ALA 74 H ALA 74 15.998 -13.770 16.952 522 HA ALA 74 HA ALA 74 15.683 -12.474 19.555 523 1HB ALA 74 1HB ALA 74 13.197 -13.298 18.957 524 2HB ALA 74 2HB ALA 74 13.877 -11.770 18.396 525 3HB ALA 74 3HB ALA 74 13.875 -13.177 17.333 526 HA PRO 75 HA PRO 75 15.470 -16.170 21.910 527 1HB PRO 75 1HB PRO 75 13.462 -15.631 23.656 528 2HB PRO 75 2HB PRO 75 15.050 -14.859 23.749 529 1HG PRO 75 1HG PRO 75 12.499 -13.811 22.584 530 2HG PRO 75 2HG PRO 75 13.692 -12.977 23.597 531 1HD PRO 75 1HD PRO 75 13.592 -12.667 20.908 532 2HD PRO 75 2HD PRO 75 15.112 -12.587 21.823 533 H ALA 76 H ALA 76 14.057 -17.973 22.590 534 HA ALA 76 HA ALA 76 12.624 -19.093 20.532 535 1HB ALA 76 1HB ALA 76 11.450 -20.177 22.798 536 2HB ALA 76 2HB ALA 76 12.886 -20.775 21.966 537 3HB ALA 76 3HB ALA 76 13.054 -19.676 23.335 538 HA PRO 77 HA PRO 77 8.616 -17.316 20.389 539 1HB PRO 77 1HB PRO 77 7.028 -19.475 19.952 540 2HB PRO 77 2HB PRO 77 8.112 -18.814 18.722 541 1HG PRO 77 1HG PRO 77 8.510 -21.164 20.533 542 2HG PRO 77 2HG PRO 77 8.882 -21.007 18.806 543 1HD PRO 77 1HD PRO 77 10.774 -20.783 20.730 544 2HD PRO 77 2HD PRO 77 10.852 -19.878 19.204 545 H LYS 78 H LYS 78 6.485 -17.242 21.401 546 HA LYS 78 HA LYS 78 5.207 -17.061 23.280 547 1HB LYS 78 1HB LYS 78 5.364 -19.702 22.599 548 2HB LYS 78 2HB LYS 78 5.887 -19.746 24.277 549 1HG LYS 78 1HG LYS 78 3.314 -18.536 23.284 550 2HG LYS 78 2HG LYS 78 3.481 -20.120 24.045 551 1HD LYS 78 1HD LYS 78 4.508 -17.705 25.466 552 2HD LYS 78 2HD LYS 78 2.772 -18.024 25.455 553 1HE LYS 78 1HE LYS 78 4.771 -20.124 26.239 554 2HE LYS 78 2HE LYS 78 4.139 -18.961 27.403 555 1HZ LYS 78 1HZ LYS 78 2.048 -20.163 25.892 556 2HZ LYS 78 2HZ LYS 78 2.259 -20.101 27.569 557 3HZ LYS 78 3HZ LYS 78 2.983 -21.338 26.671 558 H GLU 79 H GLU 79 6.449 -15.531 24.387 559 HA GLU 79 HA GLU 79 7.283 -16.228 26.963 560 1HB GLU 79 1HB GLU 79 9.219 -17.256 26.019 561 2HB GLU 79 2HB GLU 79 9.504 -15.889 24.951 562 1HG GLU 79 1HG GLU 79 11.091 -15.893 26.774 563 2HG GLU 79 2HG GLU 79 10.032 -14.488 26.879 564 H ASP 80 H ASP 80 6.768 -14.462 28.052 565 HA ASP 80 HA ASP 80 7.910 -11.932 27.588 566 1HB ASP 80 1HB ASP 80 5.744 -10.737 26.998 567 2HB ASP 80 2HB ASP 80 6.494 -11.666 25.703 568 H ALA 81 H ALA 81 7.176 -10.317 29.114 569 HA ALA 81 HA ALA 81 6.458 -11.474 31.624 570 1HB ALA 81 1HB ALA 81 6.266 -8.672 31.811 571 2HB ALA 81 2HB ALA 81 7.600 -9.707 32.323 572 3HB ALA 81 3HB ALA 81 7.591 -9.018 30.700 573 H LEU 82 H LEU 82 4.751 -9.762 29.114 574 HA LEU 82 HA LEU 82 2.339 -9.669 30.792 575 1HB LEU 82 1HB LEU 82 3.346 -7.625 29.500 576 2HB LEU 82 2HB LEU 82 2.527 -8.353 28.120 577 HG LEU 82 HG LEU 82 1.176 -6.591 29.109 578 1HD1 LEU 82 1HD1 LEU 82 -0.012 -9.294 29.710 579 2HD1 LEU 82 2HD1 LEU 82 0.099 -8.582 28.101 580 3HD1 LEU 82 3HD1 LEU 82 -0.883 -7.805 29.343 581 1HD2 LEU 82 1HD2 LEU 82 0.753 -8.179 31.590 582 2HD2 LEU 82 2HD2 LEU 82 0.595 -6.444 31.317 583 3HD2 LEU 82 3HD2 LEU 82 2.195 -7.171 31.468 584 H THR 83 H THR 83 2.195 -12.032 30.425 585 HA THR 83 HA THR 83 1.576 -12.988 27.791 586 HB THR 83 HB THR 83 2.600 -14.510 29.379 587 HG1 THR 83 HG1 THR 83 1.094 -16.235 29.133 588 1HG2 THR 83 1HG2 THR 83 0.275 -13.723 31.066 589 2HG2 THR 83 2HG2 THR 83 1.961 -13.977 31.516 590 3HG2 THR 83 3HG2 THR 83 0.908 -15.360 31.222 591 H VAL 84 H VAL 84 -0.434 -13.762 27.048 592 HA VAL 84 HA VAL 84 -2.762 -12.609 28.443 593 HB VAL 84 HB VAL 84 -3.846 -12.525 26.178 594 1HG1 VAL 84 1HG1 VAL 84 -1.358 -10.850 26.210 595 2HG1 VAL 84 2HG1 VAL 84 -2.982 -10.416 25.671 596 3HG1 VAL 84 3HG1 VAL 84 -2.644 -10.609 27.392 597 1HG2 VAL 84 1HG2 VAL 84 -1.034 -12.951 25.176 598 2HG2 VAL 84 2HG2 VAL 84 -2.320 -14.155 25.102 599 3HG2 VAL 84 3HG2 VAL 84 -2.471 -12.647 24.200 600 H VAL 85 H VAL 85 -4.815 -13.735 28.090 601 HA VAL 85 HA VAL 85 -4.581 -16.511 28.594 602 HB VAL 85 HB VAL 85 -7.072 -16.534 28.409 603 1HG1 VAL 85 1HG1 VAL 85 -5.917 -16.014 30.518 604 2HG1 VAL 85 2HG1 VAL 85 -5.955 -14.299 30.100 605 3HG1 VAL 85 3HG1 VAL 85 -7.462 -15.175 30.378 606 1HG2 VAL 85 1HG2 VAL 85 -6.777 -14.413 26.753 607 2HG2 VAL 85 2HG2 VAL 85 -8.281 -14.826 27.576 608 3HG2 VAL 85 3HG2 VAL 85 -7.212 -13.600 28.257 609 H GLY 86 H GLY 86 -5.254 -18.287 27.347 610 1HA GLY 86 1HA GLY 86 -6.203 -18.052 24.680 611 2HA GLY 86 2HA GLY 86 -4.467 -18.324 24.687 612 H ASP 87 H ASP 87 -6.195 -20.125 23.508 613 HA ASP 87 HA ASP 87 -5.584 -22.503 25.038 614 1HB ASP 87 1HB ASP 87 -8.444 -21.925 24.237 615 2HB ASP 87 2HB ASP 87 -7.855 -23.387 25.024 616 H TRP 88 H TRP 88 -5.539 -24.389 23.788 617 HA TRP 88 HA TRP 88 -5.445 -23.883 20.907 618 1HB TRP 88 1HB TRP 88 -4.526 -26.432 22.196 619 2HB TRP 88 2HB TRP 88 -3.945 -25.658 20.723 620 HD1 TRP 88 HD1 TRP 88 -2.804 -26.308 24.068 621 HE1 TRP 88 HE1 TRP 88 -0.991 -24.641 24.815 622 HE3 TRP 88 HE3 TRP 88 -3.475 -22.722 20.487 623 HZ2 TRP 88 HZ2 TRP 88 0.021 -22.137 23.995 624 HZ3 TRP 88 HZ3 TRP 88 -2.044 -20.721 20.540 625 HH2 TRP 88 HH2 TRP 88 -0.333 -20.436 22.258 626 H LEU 89 H LEU 89 -5.775 -26.386 19.876 627 HA LEU 89 HA LEU 89 -8.644 -26.753 20.193 628 1HB LEU 89 1HB LEU 89 -7.106 -26.679 17.995 629 2HB LEU 89 2HB LEU 89 -7.111 -28.416 18.288 630 HG LEU 89 HG LEU 89 -8.833 -27.946 16.718 631 1HD1 LEU 89 1HD1 LEU 89 -10.093 -28.301 19.434 632 2HD1 LEU 89 2HD1 LEU 89 -9.379 -29.584 18.458 633 3HD1 LEU 89 3HD1 LEU 89 -10.811 -28.733 17.882 634 1HD2 LEU 89 1HD2 LEU 89 -9.070 -25.514 18.160 635 2HD2 LEU 89 2HD2 LEU 89 -10.642 -26.314 18.176 636 3HD2 LEU 89 3HD2 LEU 89 -9.841 -25.973 16.642 637 H GLY 90 H GLY 90 -7.361 -27.600 22.441 638 1HA GLY 90 1HA GLY 90 -6.452 -30.203 22.595 639 2HA GLY 90 2HA GLY 90 -7.342 -29.394 23.876 640 H ASP 91 H ASP 91 -7.409 -31.822 21.488 641 HA ASP 91 HA ASP 91 -10.278 -32.280 21.977 642 1HB ASP 91 1HB ASP 91 -9.833 -31.895 19.625 643 2HB ASP 91 2HB ASP 91 -8.560 -33.113 19.632 644 H ALA 92 H ALA 92 -10.377 -33.647 23.662 645 HA ALA 92 HA ALA 92 -9.024 -36.234 23.370 646 1HB ALA 92 1HB ALA 92 -8.422 -34.265 25.360 647 2HB ALA 92 2HB ALA 92 -9.086 -35.707 26.128 648 3HB ALA 92 3HB ALA 92 -7.672 -35.837 25.082 649 H ARG 93 H ARG 93 -10.163 -37.991 24.127 650 HA ARG 93 HA ARG 93 -12.993 -37.567 24.526 651 1HB ARG 93 1HB ARG 93 -13.188 -39.980 24.361 652 2HB ARG 93 2HB ARG 93 -12.162 -39.377 23.066 653 1HG ARG 93 1HG ARG 93 -10.192 -40.139 24.173 654 2HG ARG 93 2HG ARG 93 -11.103 -40.540 25.630 655 1HD ARG 93 1HD ARG 93 -10.961 -42.613 24.687 656 2HD ARG 93 2HD ARG 93 -12.456 -42.051 23.940 657 HE ARG 93 HE ARG 93 -11.409 -42.155 21.921 658 1HH1 ARG 93 2HH1 ARG 93 -8.986 -41.922 24.410 659 2HH1 ARG 93 1HH1 ARG 93 -7.656 -42.105 23.314 660 1HH2 ARG 93 2HH2 ARG 93 -9.667 -42.396 20.469 661 2HH2 ARG 93 1HH2 ARG 93 -8.045 -42.373 21.073 662 H GLU 94 H GLU 94 -13.812 -39.533 26.172 663 HA GLU 94 HA GLU 94 -12.370 -39.626 28.636 664 1HB GLU 94 1HB GLU 94 -14.051 -38.382 29.980 665 2HB GLU 94 2HB GLU 94 -13.147 -37.358 28.873 666 1HG GLU 94 1HG GLU 94 -15.338 -36.612 28.683 667 2HG GLU 94 2HG GLU 94 -15.114 -37.650 27.275 668 H ASN 95 H ASN 95 -13.857 -40.547 30.424 669 HA ASN 95 HA ASN 95 -16.081 -42.117 29.416 670 1HB ASN 95 1HB ASN 95 -13.917 -43.416 28.998 671 2HB ASN 95 2HB ASN 95 -13.793 -43.561 30.748 672 1HD2 ASN 95 2HD2 ASN 95 -16.084 -44.091 28.099 673 2HD2 ASN 95 1HD2 ASN 95 -16.774 -45.532 28.756 674 H ASP 96 H ASP 96 -17.084 -43.426 31.215 675 HA ASP 96 HA ASP 96 -16.481 -42.717 33.920 676 1HB ASP 96 1HB ASP 96 -18.610 -41.535 34.380 677 2HB ASP 96 2HB ASP 96 -17.565 -40.638 33.282 678 H LEU 97 H LEU 97 -18.435 -43.443 35.372 679 HA LEU 97 HA LEU 97 -19.812 -45.744 34.203 680 1HB LEU 97 1HB LEU 97 -17.928 -45.817 36.540 681 2HB LEU 97 2HB LEU 97 -19.180 -47.035 36.314 682 HG LEU 97 HG LEU 97 -17.235 -46.509 34.110 683 1HD1 LEU 97 1HD1 LEU 97 -16.616 -48.501 36.253 684 2HD1 LEU 97 2HD1 LEU 97 -16.068 -46.831 36.394 685 3HD1 LEU 97 3HD1 LEU 97 -15.555 -47.814 35.023 686 1HD2 LEU 97 1HD2 LEU 97 -19.310 -48.384 34.704 687 2HD2 LEU 97 2HD2 LEU 97 -17.776 -49.238 34.540 688 3HD2 LEU 97 3HD2 LEU 97 -18.357 -48.208 33.231 689 H GLU 98 H GLU 98 -21.332 -46.732 35.918 690 HA GLU 98 HA GLU 98 -23.200 -44.812 36.677 691 1HB GLU 98 1HB GLU 98 -22.774 -47.683 37.427 692 2HB GLU 98 2HB GLU 98 -24.023 -46.743 38.231 693 1HG GLU 98 1HG GLU 98 -25.226 -47.672 36.535 694 2HG GLU 98 2HG GLU 98 -24.731 -46.157 35.782 695 H HIS 99 H HIS 99 -21.333 -46.825 38.954 696 HA HIS 99 HA HIS 99 -20.519 -46.412 41.037 697 1HB HIS 99 1HB HIS 99 -19.469 -44.484 39.575 698 2HB HIS 99 2HB HIS 99 -20.534 -43.463 40.538 699 HD1 HIS 99 HD1 HIS 99 -17.756 -42.799 41.014 700 HD2 HIS 99 HD2 HIS 99 -19.529 -45.991 42.996 701 HE1 HIS 99 HE1 HIS 99 -16.344 -43.189 43.058 702 H HIS 100 H HIS 100 -23.405 -46.373 40.539 703 HA HIS 100 HA HIS 100 -24.532 -44.367 42.264 704 1HB HIS 100 1HB HIS 100 -25.604 -46.702 40.729 705 2HB HIS 100 2HB HIS 100 -26.590 -45.983 41.998 706 HD1 HIS 100 HD1 HIS 100 -24.469 -43.630 40.108 707 HD2 HIS 100 HD2 HIS 100 -28.342 -45.119 39.906 708 HE1 HIS 100 HE1 HIS 100 -25.696 -42.101 38.532 709 H HIS 101 H HIS 101 -24.818 -44.471 44.396 710 HA HIS 101 HA HIS 101 -24.265 -47.028 45.739 711 1HB HIS 101 1HB HIS 101 -22.834 -44.983 46.240 712 2HB HIS 101 2HB HIS 101 -24.256 -44.296 47.021 713 HD1 HIS 101 HD1 HIS 101 -25.201 -45.732 49.104 714 HD2 HIS 101 HD2 HIS 101 -21.354 -46.636 47.821 715 HE1 HIS 101 HE1 HIS 101 -24.144 -47.009 50.996 716 H HIS 102 H HIS 102 -26.445 -44.231 45.792 717 HA HIS 102 HA HIS 102 -28.157 -45.160 47.816 718 1HB HIS 102 1HB HIS 102 -29.825 -43.573 46.777 719 2HB HIS 102 2HB HIS 102 -28.273 -42.857 47.200 720 HD1 HIS 102 HD1 HIS 102 -27.147 -41.570 45.402 721 HD2 HIS 102 HD2 HIS 102 -29.997 -44.191 43.895 722 HE1 HIS 102 HE1 HIS 102 -27.265 -41.089 42.936 723 H HIS 103 H HIS 103 -30.204 -46.150 47.710 724 HA HIS 103 HA HIS 103 -30.547 -47.876 45.355 725 1HB HIS 103 1HB HIS 103 -30.213 -48.872 47.691 726 2HB HIS 103 2HB HIS 103 -31.838 -48.293 48.047 727 HD1 HIS 103 HD1 HIS 103 -33.786 -49.348 46.549 728 HD2 HIS 103 HD2 HIS 103 -30.097 -51.248 46.337 729 HE1 HIS 103 HE1 HIS 103 -34.249 -51.604 45.539 730 H HIS 104 H HIS 104 -32.341 -45.851 47.646 731 HA HIS 104 HA HIS 104 -34.345 -45.384 45.562 732 1HB HIS 104 1HB HIS 104 -36.178 -45.627 47.176 733 2HB HIS 104 2HB HIS 104 -35.275 -47.130 47.012 734 HD1 HIS 104 HD1 HIS 104 -33.674 -47.753 49.028 735 HD2 HIS 104 HD2 HIS 104 -36.248 -44.564 49.713 736 HE1 HIS 104 HE1 HIS 104 -33.671 -47.410 51.519 Start of MODEL 3 1 1H ALA 1 H ALA 1 0.324 1.305 -1.194 2 HA ALA 1 HA ALA 1 2.806 0.881 -2.107 3 1HB ALA 1 1HB ALA 1 3.385 0.854 0.045 4 2HB ALA 1 2HB ALA 1 1.660 0.950 0.400 5 3HB ALA 1 3HB ALA 1 2.465 -0.619 0.358 6 H GLN 2 H GLN 2 0.836 -0.984 -3.373 7 HA GLN 2 HA GLN 2 1.267 -3.641 -2.762 8 1HB GLN 2 1HB GLN 2 -0.269 -2.556 -4.542 9 2HB GLN 2 2HB GLN 2 1.117 -2.709 -5.613 10 1HG GLN 2 1HG GLN 2 0.242 -5.107 -4.099 11 2HG GLN 2 2HG GLN 2 -0.737 -4.571 -5.463 12 1HE2 GLN 2 2HE2 GLN 2 1.076 -6.931 -4.956 13 2HE2 GLN 2 1HE2 GLN 2 2.117 -6.970 -6.334 14 H VAL 3 H VAL 3 3.032 -4.849 -2.688 15 HA VAL 3 HA VAL 3 5.238 -4.255 -4.544 16 HB VAL 3 HB VAL 3 5.539 -4.954 -1.620 17 1HG1 VAL 3 1HG1 VAL 3 7.588 -4.556 -3.794 18 2HG1 VAL 3 2HG1 VAL 3 7.968 -4.600 -2.071 19 3HG1 VAL 3 3HG1 VAL 3 7.285 -6.022 -2.861 20 1HG2 VAL 3 1HG2 VAL 3 5.405 -2.759 -1.288 21 2HG2 VAL 3 2HG2 VAL 3 6.902 -2.592 -2.206 22 3HG2 VAL 3 3HG2 VAL 3 5.346 -2.440 -3.022 23 H ASN 4 H ASN 4 5.655 -5.954 -5.779 24 HA ASN 4 HA ASN 4 5.150 -8.645 -4.691 25 1HB ASN 4 1HB ASN 4 4.983 -9.193 -7.260 26 2HB ASN 4 2HB ASN 4 3.598 -8.527 -6.400 27 1HD2 ASN 4 2HD2 ASN 4 6.170 -7.860 -8.649 28 2HD2 ASN 4 1HD2 ASN 4 5.509 -6.392 -9.276 29 H ILE 5 H ILE 5 6.959 -9.727 -4.319 30 HA ILE 5 HA ILE 5 9.230 -9.347 -6.157 31 HB ILE 5 HB ILE 5 9.384 -9.777 -3.171 32 1HG1 ILE 5 1HG1 ILE 5 10.501 -7.417 -4.644 33 2HG1 ILE 5 2HG1 ILE 5 8.792 -7.450 -4.223 34 1HG2 ILE 5 1HG2 ILE 5 11.221 -10.921 -4.033 35 2HG2 ILE 5 2HG2 ILE 5 11.467 -9.746 -5.324 36 3HG2 ILE 5 3HG2 ILE 5 11.866 -9.323 -3.659 37 1HD1 ILE 5 1HD1 ILE 5 11.054 -7.743 -2.262 38 2HD1 ILE 5 2HD1 ILE 5 10.166 -6.253 -2.579 39 3HD1 ILE 5 3HD1 ILE 5 9.334 -7.644 -1.884 40 H ALA 6 H ALA 6 10.265 -11.153 -6.855 41 HA ALA 6 HA ALA 6 8.970 -13.695 -6.301 42 1HB ALA 6 1HB ALA 6 9.726 -12.760 -8.615 43 2HB ALA 6 2HB ALA 6 11.297 -13.412 -8.149 44 3HB ALA 6 3HB ALA 6 9.897 -14.479 -8.258 45 HA PRO 7 HA PRO 7 12.013 -14.896 -3.315 46 1HB PRO 7 1HB PRO 7 11.316 -17.516 -3.165 47 2HB PRO 7 2HB PRO 7 10.368 -16.225 -2.416 48 1HG PRO 7 1HG PRO 7 9.916 -17.647 -5.012 49 2HG PRO 7 2HG PRO 7 8.740 -17.195 -3.763 50 1HD PRO 7 1HD PRO 7 9.074 -15.763 -6.037 51 2HD PRO 7 2HD PRO 7 8.612 -15.013 -4.495 52 H GLY 8 H GLY 8 13.224 -17.328 -3.174 53 1HA GLY 8 1HA GLY 8 14.519 -18.890 -4.450 54 2HA GLY 8 2HA GLY 8 14.482 -17.764 -5.798 55 H SER 9 H SER 9 15.031 -16.044 -3.010 56 HA SER 9 HA SER 9 17.774 -16.509 -2.541 57 1HB SER 9 1HB SER 9 17.067 -14.551 -4.679 58 2HB SER 9 2HB SER 9 18.390 -14.143 -3.587 59 HG SER 9 HG SER 9 19.581 -15.477 -4.667 60 H LEU 10 H LEU 10 18.063 -15.820 -0.535 61 HA LEU 10 HA LEU 10 16.203 -14.167 0.804 62 1HB LEU 10 1HB LEU 10 17.867 -15.953 1.707 63 2HB LEU 10 2HB LEU 10 18.989 -14.597 1.802 64 HG LEU 10 HG LEU 10 16.321 -14.724 3.206 65 1HD1 LEU 10 1HD1 LEU 10 19.010 -15.675 3.945 66 2HD1 LEU 10 2HD1 LEU 10 17.423 -16.202 4.502 67 3HD1 LEU 10 3HD1 LEU 10 18.153 -14.743 5.173 68 1HD2 LEU 10 1HD2 LEU 10 18.336 -12.637 2.810 69 2HD2 LEU 10 2HD2 LEU 10 17.866 -12.884 4.492 70 3HD2 LEU 10 3HD2 LEU 10 16.641 -12.507 3.280 71 H ASP 11 H ASP 11 19.646 -13.558 0.085 72 HA ASP 11 HA ASP 11 19.695 -10.881 0.819 73 1HB ASP 11 1HB ASP 11 21.802 -11.782 0.461 74 2HB ASP 11 2HB ASP 11 21.332 -12.542 -1.058 75 H LYS 12 H LYS 12 18.698 -12.377 -2.200 76 HA LYS 12 HA LYS 12 18.533 -10.019 -3.745 77 1HB LYS 12 1HB LYS 12 18.542 -12.313 -4.689 78 2HB LYS 12 2HB LYS 12 16.930 -12.567 -4.035 79 1HG LYS 12 1HG LYS 12 16.582 -12.042 -6.279 80 2HG LYS 12 2HG LYS 12 16.231 -10.543 -5.416 81 1HD LYS 12 1HD LYS 12 17.620 -9.608 -6.914 82 2HD LYS 12 2HD LYS 12 18.899 -10.280 -5.899 83 1HE LYS 12 1HE LYS 12 19.580 -11.560 -7.580 84 2HE LYS 12 2HE LYS 12 17.988 -12.313 -7.672 85 1HZ LYS 12 1HZ LYS 12 18.055 -9.704 -8.854 86 2HZ LYS 12 2HZ LYS 12 17.489 -11.163 -9.494 87 3HZ LYS 12 3HZ LYS 12 19.132 -10.776 -9.598 88 H ALA 13 H ALA 13 15.948 -11.890 -2.145 89 HA ALA 13 HA ALA 13 13.828 -10.199 -2.655 90 1HB ALA 13 1HB ALA 13 12.710 -11.212 -0.773 91 2HB ALA 13 2HB ALA 13 13.646 -12.440 -1.627 92 3HB ALA 13 3HB ALA 13 14.249 -11.765 -0.113 93 H LEU 14 H LEU 14 16.444 -9.806 -0.403 94 HA LEU 14 HA LEU 14 15.226 -7.835 1.243 95 1HB LEU 14 1HB LEU 14 17.020 -8.700 2.322 96 2HB LEU 14 2HB LEU 14 17.940 -8.927 0.837 97 HG LEU 14 HG LEU 14 18.443 -6.503 0.825 98 1HD1 LEU 14 1HD1 LEU 14 16.721 -5.469 1.990 99 2HD1 LEU 14 2HD1 LEU 14 18.077 -5.381 3.114 100 3HD1 LEU 14 3HD1 LEU 14 16.821 -6.598 3.341 101 1HD2 LEU 14 1HD2 LEU 14 19.288 -7.505 3.499 102 2HD2 LEU 14 2HD2 LEU 14 20.234 -6.712 2.239 103 3HD2 LEU 14 3HD2 LEU 14 19.770 -8.405 2.061 104 H ASN 15 H ASN 15 17.605 -7.591 -1.400 105 HA ASN 15 HA ASN 15 17.684 -4.783 -1.473 106 1HB ASN 15 1HB ASN 15 19.172 -5.072 -3.151 107 2HB ASN 15 2HB ASN 15 19.069 -6.776 -2.718 108 1HD2 ASN 15 2HD2 ASN 15 18.006 -8.190 -4.053 109 2HD2 ASN 15 1HD2 ASN 15 17.478 -7.766 -5.642 110 H GLN 16 H GLN 16 15.519 -7.108 -2.932 111 HA GLN 16 HA GLN 16 14.323 -5.476 -4.866 112 1HB GLN 16 1HB GLN 16 13.035 -7.696 -3.268 113 2HB GLN 16 2HB GLN 16 12.451 -7.047 -4.795 114 1HG GLN 16 1HG GLN 16 15.220 -8.004 -4.853 115 2HG GLN 16 2HG GLN 16 14.011 -9.247 -4.536 116 1HE2 GLN 16 2HE2 GLN 16 14.774 -10.070 -6.614 117 2HE2 GLN 16 1HE2 GLN 16 14.074 -9.445 -8.064 118 H TYR 17 H TYR 17 13.149 -6.236 -1.583 119 HA TYR 17 HA TYR 17 11.103 -4.247 -1.683 120 1HB TYR 17 1HB TYR 17 10.410 -5.083 0.328 121 2HB TYR 17 2HB TYR 17 11.393 -6.446 -0.197 122 HD1 TYR 17 HD1 TYR 17 13.511 -6.939 0.870 123 HD2 TYR 17 HD2 TYR 17 11.179 -3.601 2.104 124 HE1 TYR 17 HE1 TYR 17 14.876 -6.746 2.908 125 HE2 TYR 17 HE2 TYR 17 12.537 -3.398 4.144 126 HH TYR 17 HH TYR 17 15.367 -4.488 4.586 127 H ALA 18 H ALA 18 14.374 -4.396 -0.412 128 HA ALA 18 HA ALA 18 14.355 -2.083 1.161 129 1HB ALA 18 1HB ALA 18 16.617 -3.345 -0.382 130 2HB ALA 18 2HB ALA 18 16.811 -2.079 0.832 131 3HB ALA 18 3HB ALA 18 16.171 -3.656 1.296 132 H ALA 19 H ALA 19 14.940 -2.523 -2.296 133 HA ALA 19 HA ALA 19 15.601 0.230 -2.754 134 1HB ALA 19 1HB ALA 19 16.561 -1.282 -4.270 135 2HB ALA 19 2HB ALA 19 15.022 -2.090 -4.572 136 3HB ALA 19 3HB ALA 19 15.298 -0.460 -5.187 137 H HIS 20 H HIS 20 12.690 -1.633 -2.623 138 HA HIS 20 HA HIS 20 11.077 0.202 -4.128 139 1HB HIS 20 1HB HIS 20 10.518 -2.200 -2.419 140 2HB HIS 20 2HB HIS 20 9.196 -1.152 -2.926 141 HD1 HIS 20 HD1 HIS 20 10.055 -0.587 -5.821 142 HD2 HIS 20 HD2 HIS 20 10.156 -4.345 -4.053 143 HE1 HIS 20 HE1 HIS 20 9.963 -2.228 -7.724 144 H SER 21 H SER 21 12.077 -0.118 -0.824 145 HA SER 21 HA SER 21 10.056 1.723 0.156 146 1HB SER 21 1HB SER 21 10.677 -0.103 1.621 147 2HB SER 21 2HB SER 21 12.378 0.356 1.535 148 HG SER 21 HG SER 21 10.569 2.293 2.394 149 H GLY 22 H GLY 22 13.616 1.668 0.438 150 1HA GLY 22 1HA GLY 22 14.814 3.594 -0.599 151 2HA GLY 22 2HA GLY 22 13.560 4.605 0.104 152 H PHE 23 H PHE 23 14.707 1.920 1.942 153 HA PHE 23 HA PHE 23 16.302 3.757 3.606 154 1HB PHE 23 1HB PHE 23 15.447 2.813 5.574 155 2HB PHE 23 2HB PHE 23 14.034 2.945 4.532 156 HD1 PHE 23 HD1 PHE 23 15.786 0.842 6.690 157 HD2 PHE 23 HD2 PHE 23 13.593 0.797 3.043 158 HE1 PHE 23 HE1 PHE 23 15.355 -1.563 6.983 159 HE2 PHE 23 HE2 PHE 23 13.157 -1.607 3.330 160 HZ PHE 23 HZ PHE 23 14.038 -2.790 5.302 161 H THR 24 H THR 24 17.790 2.472 5.128 162 HA THR 24 HA THR 24 19.158 0.435 3.508 163 HB THR 24 HB THR 24 20.309 2.048 5.791 164 HG1 THR 24 HG1 THR 24 20.523 3.591 4.372 165 1HG2 THR 24 1HG2 THR 24 21.725 0.246 5.610 166 2HG2 THR 24 2HG2 THR 24 22.439 1.327 4.413 167 3HG2 THR 24 3HG2 THR 24 21.384 0.012 3.897 168 H LEU 25 H LEU 25 20.024 -1.433 4.520 169 HA LEU 25 HA LEU 25 19.034 -2.038 7.210 170 1HB LEU 25 1HB LEU 25 17.404 -2.910 5.575 171 2HB LEU 25 2HB LEU 25 18.688 -3.864 4.835 172 HG LEU 25 HG LEU 25 18.749 -4.635 7.491 173 1HD1 LEU 25 1HD1 LEU 25 16.588 -3.407 7.772 174 2HD1 LEU 25 2HD1 LEU 25 16.514 -5.128 8.149 175 3HD1 LEU 25 3HD1 LEU 25 15.869 -4.533 6.620 176 1HD2 LEU 25 1HD2 LEU 25 18.964 -5.989 5.389 177 2HD2 LEU 25 2HD2 LEU 25 17.203 -5.995 5.293 178 3HD2 LEU 25 3HD2 LEU 25 18.014 -6.743 6.670 179 H SER 26 H SER 26 20.508 -3.026 8.439 180 HA SER 26 HA SER 26 22.887 -4.139 7.103 181 1HB SER 26 1HB SER 26 22.802 -2.071 8.912 182 2HB SER 26 2HB SER 26 23.167 -3.452 9.945 183 HG SER 26 HG SER 26 25.107 -3.461 9.161 184 H VAL 27 H VAL 27 22.549 -6.283 7.009 185 HA VAL 27 HA VAL 27 22.045 -7.675 9.551 186 HB VAL 27 HB VAL 27 19.957 -7.834 8.422 187 1HG1 VAL 27 1HG1 VAL 27 21.640 -8.336 6.006 188 2HG1 VAL 27 2HG1 VAL 27 19.988 -8.951 6.067 189 3HG1 VAL 27 3HG1 VAL 27 20.292 -7.221 6.223 190 1HG2 VAL 27 1HG2 VAL 27 21.413 -10.398 7.802 191 2HG2 VAL 27 2HG2 VAL 27 20.901 -9.924 9.422 192 3HG2 VAL 27 3HG2 VAL 27 19.698 -10.196 8.161 193 H ASP 28 H ASP 28 23.260 -9.467 9.916 194 HA ASP 28 HA ASP 28 25.693 -9.820 8.667 195 1HB ASP 28 1HB ASP 28 24.064 -11.895 10.148 196 2HB ASP 28 2HB ASP 28 25.784 -12.021 9.791 197 H ALA 29 H ALA 29 25.828 -10.071 6.508 198 HA ALA 29 HA ALA 29 24.030 -11.707 5.005 199 1HB ALA 29 1HB ALA 29 25.263 -9.664 4.163 200 2HB ALA 29 2HB ALA 29 26.696 -10.689 4.059 201 3HB ALA 29 3HB ALA 29 25.266 -11.071 3.099 202 H SER 30 H SER 30 26.758 -12.368 6.886 203 HA SER 30 HA SER 30 28.045 -14.411 5.506 204 1HB SER 30 1HB SER 30 28.718 -15.243 7.772 205 2HB SER 30 2HB SER 30 28.996 -13.517 7.539 206 HG SER 30 HG SER 30 27.490 -14.739 9.385 207 H LEU 31 H LEU 31 25.292 -14.613 7.745 208 HA LEU 31 HA LEU 31 24.966 -17.443 7.235 209 1HB LEU 31 1HB LEU 31 22.916 -15.809 8.648 210 2HB LEU 31 2HB LEU 31 23.443 -17.462 8.957 211 HG LEU 31 HG LEU 31 25.688 -16.096 9.604 212 1HD1 LEU 31 1HD1 LEU 31 24.145 -14.000 9.194 213 2HD1 LEU 31 2HD1 LEU 31 25.310 -14.039 10.517 214 3HD1 LEU 31 3HD1 LEU 31 23.606 -14.366 10.833 215 1HD2 LEU 31 1HD2 LEU 31 23.356 -16.617 11.445 216 2HD2 LEU 31 2HD2 LEU 31 25.049 -16.455 11.913 217 3HD2 LEU 31 3HD2 LEU 31 24.534 -17.823 10.925 218 H THR 32 H THR 32 23.359 -14.422 6.392 219 HA THR 32 HA THR 32 21.039 -15.414 5.231 220 HB THR 32 HB THR 32 22.660 -12.994 4.418 221 HG1 THR 32 HG1 THR 32 21.439 -11.934 5.883 222 1HG2 THR 32 1HG2 THR 32 21.293 -13.004 2.623 223 2HG2 THR 32 2HG2 THR 32 20.082 -12.423 3.766 224 3HG2 THR 32 3HG2 THR 32 20.164 -14.138 3.364 225 H ARG 33 H ARG 33 24.205 -14.818 3.724 226 HA ARG 33 HA ARG 33 23.608 -15.459 1.110 227 1HB ARG 33 1HB ARG 33 25.956 -15.941 0.807 228 2HB ARG 33 2HB ARG 33 25.787 -14.577 1.905 229 1HG ARG 33 1HG ARG 33 27.173 -15.655 3.262 230 2HG ARG 33 2HG ARG 33 25.844 -16.770 3.585 231 1HD ARG 33 1HD ARG 33 27.504 -18.226 2.944 232 2HD ARG 33 2HD ARG 33 26.684 -17.944 1.409 233 HE ARG 33 HE ARG 33 28.883 -16.156 1.915 234 1HH1 ARG 33 2HH1 ARG 33 27.920 -19.234 0.605 235 2HH1 ARG 33 1HH1 ARG 33 29.289 -19.361 -0.448 236 1HH2 ARG 33 2HH2 ARG 33 30.691 -16.312 0.532 237 2HH2 ARG 33 1HH2 ARG 33 30.866 -17.699 -0.488 238 H GLY 34 H GLY 34 23.047 -17.256 0.054 239 1HA GLY 34 1HA GLY 34 23.245 -19.587 -0.423 240 2HA GLY 34 2HA GLY 34 23.654 -19.864 1.264 241 H LYS 35 H LYS 35 21.524 -18.318 2.382 242 HA LYS 35 HA LYS 35 19.419 -20.282 2.167 243 1HB LYS 35 1HB LYS 35 20.190 -18.163 4.038 244 2HB LYS 35 2HB LYS 35 18.451 -18.292 3.806 245 1HG LYS 35 1HG LYS 35 18.478 -19.910 5.321 246 2HG LYS 35 2HG LYS 35 19.290 -20.915 4.118 247 1HD LYS 35 1HD LYS 35 20.602 -20.982 6.108 248 2HD LYS 35 2HD LYS 35 21.466 -19.978 4.942 249 1HE LYS 35 1HE LYS 35 21.561 -18.892 7.070 250 2HE LYS 35 2HE LYS 35 20.466 -17.973 6.039 251 1HZ LYS 35 1HZ LYS 35 18.829 -18.280 7.478 252 2HZ LYS 35 2HZ LYS 35 19.932 -18.989 8.547 253 3HZ LYS 35 3HZ LYS 35 19.047 -19.958 7.479 254 H GLN 36 H GLN 36 17.091 -19.414 2.155 255 HA GLN 36 HA GLN 36 16.840 -17.299 0.120 256 1HB GLN 36 1HB GLN 36 15.110 -18.518 -0.987 257 2HB GLN 36 2HB GLN 36 16.471 -19.612 -0.782 258 1HG GLN 36 1HG GLN 36 14.108 -19.533 1.074 259 2HG GLN 36 2HG GLN 36 14.222 -20.600 -0.325 260 1HE2 GLN 36 2HE2 GLN 36 16.123 -22.038 -0.385 261 2HE2 GLN 36 1HE2 GLN 36 16.691 -22.700 1.106 262 H SER 37 H SER 37 14.335 -16.720 -0.027 263 HA SER 37 HA SER 37 13.018 -16.703 2.549 264 1HB SER 37 1HB SER 37 14.300 -14.817 3.047 265 2HB SER 37 2HB SER 37 14.302 -14.255 1.375 266 HG SER 37 HG SER 37 12.186 -13.608 1.607 267 H ASN 38 H ASN 38 10.846 -15.920 2.450 268 HA ASN 38 HA ASN 38 9.605 -16.437 -0.086 269 1HB ASN 38 1HB ASN 38 8.629 -15.842 2.682 270 2HB ASN 38 2HB ASN 38 7.512 -15.699 1.328 271 1HD2 ASN 38 2HD2 ASN 38 6.969 -17.544 0.142 272 2HD2 ASN 38 1HD2 ASN 38 7.217 -19.133 0.774 273 H GLY 39 H GLY 39 9.082 -15.008 -1.607 274 1HA GLY 39 1HA GLY 39 9.789 -12.294 -1.452 275 2HA GLY 39 2HA GLY 39 8.765 -13.009 -2.688 276 H LEU 40 H LEU 40 7.941 -10.662 -2.303 277 HA LEU 40 HA LEU 40 5.899 -10.694 -0.184 278 1HB LEU 40 1HB LEU 40 7.607 -8.845 -0.216 279 2HB LEU 40 2HB LEU 40 6.884 -8.305 -1.730 280 HG LEU 40 HG LEU 40 4.794 -7.825 -0.594 281 1HD1 LEU 40 1HD1 LEU 40 5.951 -9.488 1.455 282 2HD1 LEU 40 2HD1 LEU 40 4.282 -8.962 1.242 283 3HD1 LEU 40 3HD1 LEU 40 5.423 -7.941 2.117 284 1HD2 LEU 40 1HD2 LEU 40 6.969 -6.307 -0.511 285 2HD2 LEU 40 2HD2 LEU 40 6.777 -6.570 1.223 286 3HD2 LEU 40 3HD2 LEU 40 5.469 -5.840 0.291 287 H HIS 41 H HIS 41 3.795 -9.797 -0.696 288 HA HIS 41 HA HIS 41 3.032 -9.407 -3.433 289 1HB HIS 41 1HB HIS 41 3.101 -12.040 -2.633 290 2HB HIS 41 2HB HIS 41 1.421 -11.599 -2.342 291 HD1 HIS 41 HD1 HIS 41 2.282 -13.608 -4.563 292 HD2 HIS 41 HD2 HIS 41 1.540 -9.565 -5.164 293 HE1 HIS 41 HE1 HIS 41 1.706 -13.386 -7.000 294 H GLY 42 H GLY 42 1.990 -7.546 -2.952 295 1HA GLY 42 1HA GLY 42 -0.431 -6.985 -2.458 296 2HA GLY 42 2HA GLY 42 -0.101 -7.663 -0.871 297 H ASP 43 H ASP 43 -1.028 -5.306 -0.597 298 HA ASP 43 HA ASP 43 0.982 -3.239 -0.824 299 1HB ASP 43 1HB ASP 43 -0.744 -1.796 0.234 300 2HB ASP 43 2HB ASP 43 -1.331 -2.624 -1.206 301 H TYR 44 H TYR 44 2.627 -3.288 0.565 302 HA TYR 44 HA TYR 44 2.026 -3.376 3.423 303 1HB TYR 44 1HB TYR 44 4.117 -5.119 2.103 304 2HB TYR 44 2HB TYR 44 3.897 -4.938 3.840 305 HD1 TYR 44 HD1 TYR 44 2.993 -6.808 0.966 306 HD2 TYR 44 HD2 TYR 44 1.558 -5.568 4.775 307 HE1 TYR 44 HE1 TYR 44 1.361 -8.648 0.944 308 HE2 TYR 44 HE2 TYR 44 -0.077 -7.405 4.764 309 HH TYR 44 HH TYR 44 -0.272 -9.689 3.642 310 H ASP 45 H ASP 45 3.039 -1.794 4.462 311 HA ASP 45 HA ASP 45 4.679 0.074 3.182 312 1HB ASP 45 1HB ASP 45 4.420 -0.472 6.147 313 2HB ASP 45 2HB ASP 45 5.091 0.990 5.429 314 H VAL 46 H VAL 46 6.860 0.675 4.545 315 HA VAL 46 HA VAL 46 8.806 -1.102 3.612 316 HB VAL 46 HB VAL 46 9.385 1.197 3.996 317 1HG1 VAL 46 1HG1 VAL 46 9.084 0.752 6.957 318 2HG1 VAL 46 2HG1 VAL 46 9.372 2.272 6.106 319 3HG1 VAL 46 3HG1 VAL 46 7.815 1.456 5.956 320 1HG2 VAL 46 1HG2 VAL 46 11.091 -0.673 4.354 321 2HG2 VAL 46 2HG2 VAL 46 11.502 0.928 4.970 322 3HG2 VAL 46 3HG2 VAL 46 10.931 -0.322 6.075 323 H GLU 47 H GLU 47 7.541 -0.615 6.898 324 HA GLU 47 HA GLU 47 9.175 -2.661 8.044 325 1HB GLU 47 1HB GLU 47 6.765 -1.153 9.049 326 2HB GLU 47 2HB GLU 47 7.575 -2.388 10.003 327 1HG GLU 47 1HG GLU 47 9.420 -1.101 10.368 328 2HG GLU 47 2HG GLU 47 9.219 -0.192 8.872 329 H SER 48 H SER 48 5.699 -2.448 7.296 330 HA SER 48 HA SER 48 4.965 -5.010 8.060 331 1HB SER 48 1HB SER 48 3.816 -2.869 6.485 332 2HB SER 48 2HB SER 48 3.412 -4.442 5.797 333 HG SER 48 HG SER 48 3.074 -3.759 8.530 334 H GLY 49 H GLY 49 5.979 -3.891 4.832 335 1HA GLY 49 1HA GLY 49 5.864 -6.436 3.609 336 2HA GLY 49 2HA GLY 49 6.753 -5.046 3.005 337 H LEU 50 H LEU 50 8.480 -4.713 5.241 338 HA LEU 50 HA LEU 50 10.593 -6.389 4.522 339 1HB LEU 50 1HB LEU 50 11.327 -4.482 5.537 340 2HB LEU 50 2HB LEU 50 10.049 -4.507 6.750 341 HG LEU 50 HG LEU 50 11.232 -6.233 7.991 342 1HD1 LEU 50 1HD1 LEU 50 12.500 -6.734 5.565 343 2HD1 LEU 50 2HD1 LEU 50 12.833 -7.499 7.118 344 3HD1 LEU 50 3HD1 LEU 50 13.762 -6.088 6.615 345 1HD2 LEU 50 1HD2 LEU 50 12.295 -3.584 7.444 346 2HD2 LEU 50 2HD2 LEU 50 13.526 -4.703 8.031 347 3HD2 LEU 50 3HD2 LEU 50 12.067 -4.418 8.981 348 H GLN 51 H GLN 51 8.565 -6.493 7.451 349 HA GLN 51 HA GLN 51 9.702 -8.847 8.498 350 1HB GLN 51 1HB GLN 51 6.912 -7.772 8.946 351 2HB GLN 51 2HB GLN 51 7.759 -8.922 9.971 352 1HG GLN 51 1HG GLN 51 9.157 -6.379 9.502 353 2HG GLN 51 2HG GLN 51 7.658 -6.271 10.424 354 1HE2 GLN 51 2HE2 GLN 51 10.795 -7.852 10.278 355 2HE2 GLN 51 1HE2 GLN 51 10.925 -8.161 11.973 356 H GLN 52 H GLN 52 7.303 -8.297 6.060 357 HA GLN 52 HA GLN 52 6.120 -10.887 6.125 358 1HB GLN 52 1HB GLN 52 5.787 -8.456 4.644 359 2HB GLN 52 2HB GLN 52 5.885 -9.805 3.520 360 1HG GLN 52 1HG GLN 52 3.932 -9.422 5.769 361 2HG GLN 52 2HG GLN 52 3.599 -9.470 4.039 362 1HE2 GLN 52 2HE2 GLN 52 4.440 -11.577 2.994 363 2HE2 GLN 52 1HE2 GLN 52 4.020 -13.030 3.830 364 H LEU 53 H LEU 53 8.952 -9.534 4.636 365 HA LEU 53 HA LEU 53 9.333 -11.643 2.736 366 1HB LEU 53 1HB LEU 53 10.539 -9.139 3.360 367 2HB LEU 53 2HB LEU 53 11.796 -10.375 3.335 368 HG LEU 53 HG LEU 53 11.467 -10.834 1.073 369 1HD1 LEU 53 1HD1 LEU 53 9.291 -11.167 0.582 370 2HD1 LEU 53 2HD1 LEU 53 9.403 -9.513 -0.019 371 3HD1 LEU 53 3HD1 LEU 53 8.743 -9.825 1.586 372 1HD2 LEU 53 1HD2 LEU 53 10.924 -7.881 1.369 373 2HD2 LEU 53 2HD2 LEU 53 11.594 -8.683 -0.052 374 3HD2 LEU 53 3HD2 LEU 53 12.511 -8.647 1.455 375 H LEU 54 H LEU 54 10.982 -10.761 5.772 376 HA LEU 54 HA LEU 54 12.444 -13.233 5.841 377 1HB LEU 54 1HB LEU 54 13.684 -12.233 7.405 378 2HB LEU 54 2HB LEU 54 12.812 -10.772 6.946 379 HG LEU 54 HG LEU 54 12.234 -12.572 9.295 380 1HD1 LEU 54 1HD1 LEU 54 13.135 -9.700 9.134 381 2HD1 LEU 54 2HD1 LEU 54 14.141 -11.074 9.588 382 3HD1 LEU 54 3HD1 LEU 54 12.786 -10.599 10.611 383 1HD2 LEU 54 1HD2 LEU 54 10.124 -11.882 9.131 384 2HD2 LEU 54 2HD2 LEU 54 10.518 -10.743 7.843 385 3HD2 LEU 54 3HD2 LEU 54 10.714 -10.269 9.531 386 H ASP 55 H ASP 55 9.296 -12.452 6.521 387 HA ASP 55 HA ASP 55 8.608 -13.632 8.891 388 1HB ASP 55 1HB ASP 55 6.844 -12.638 7.726 389 2HB ASP 55 2HB ASP 55 7.208 -13.509 6.239 390 H GLY 56 H GLY 56 9.114 -15.543 9.721 391 1HA GLY 56 1HA GLY 56 8.478 -17.987 9.307 392 2HA GLY 56 2HA GLY 56 9.493 -17.817 7.883 393 H SER 57 H SER 57 11.031 -15.913 9.937 394 HA SER 57 HA SER 57 12.707 -18.107 10.961 395 1HB SER 57 1HB SER 57 14.475 -16.221 11.075 396 2HB SER 57 2HB SER 57 14.051 -16.865 9.489 397 HG SER 57 HG SER 57 12.992 -14.506 10.665 398 H GLY 58 H GLY 58 11.384 -14.914 11.756 399 1HA GLY 58 1HA GLY 58 10.591 -14.185 13.816 400 2HA GLY 58 2HA GLY 58 11.149 -15.689 14.533 401 H LEU 59 H LEU 59 12.003 -12.424 13.669 402 HA LEU 59 HA LEU 59 14.199 -12.529 15.584 403 1HB LEU 59 1HB LEU 59 14.478 -11.752 12.696 404 2HB LEU 59 2HB LEU 59 15.603 -11.189 13.930 405 HG LEU 59 HG LEU 59 15.567 -13.926 14.297 406 1HD1 LEU 59 1HD1 LEU 59 14.318 -13.814 11.990 407 2HD1 LEU 59 2HD1 LEU 59 15.552 -15.036 12.297 408 3HD1 LEU 59 3HD1 LEU 59 15.953 -13.594 11.365 409 1HD2 LEU 59 1HD2 LEU 59 17.642 -13.040 14.462 410 2HD2 LEU 59 2HD2 LEU 59 17.389 -11.913 13.128 411 3HD2 LEU 59 3HD2 LEU 59 17.762 -13.605 12.796 412 H GLN 60 H GLN 60 15.161 -10.203 15.785 413 HA GLN 60 HA GLN 60 12.877 -8.354 15.920 414 1HB GLN 60 1HB GLN 60 13.845 -7.358 17.820 415 2HB GLN 60 2HB GLN 60 14.071 -9.086 18.055 416 1HG GLN 60 1HG GLN 60 16.362 -8.350 16.740 417 2HG GLN 60 2HG GLN 60 16.036 -6.960 17.774 418 1HE2 GLN 60 2HE2 GLN 60 16.742 -10.368 17.684 419 2HE2 GLN 60 1HE2 GLN 60 17.196 -10.522 19.344 420 H VAL 61 H VAL 61 13.080 -6.240 15.215 421 HA VAL 61 HA VAL 61 15.542 -5.598 13.729 422 HB VAL 61 HB VAL 61 12.820 -4.704 12.813 423 1HG1 VAL 61 1HG1 VAL 61 14.994 -5.151 10.898 424 2HG1 VAL 61 2HG1 VAL 61 13.886 -3.787 11.063 425 3HG1 VAL 61 3HG1 VAL 61 15.315 -3.893 12.092 426 1HG2 VAL 61 1HG2 VAL 61 14.010 -7.359 12.611 427 2HG2 VAL 61 2HG2 VAL 61 12.352 -6.835 12.314 428 3HG2 VAL 61 3HG2 VAL 61 13.569 -6.669 11.048 429 H LYS 62 H LYS 62 16.490 -3.852 14.523 430 HA LYS 62 HA LYS 62 14.806 -1.680 15.576 431 1HB LYS 62 1HB LYS 62 16.723 -1.269 17.218 432 2HB LYS 62 2HB LYS 62 15.679 -2.648 17.535 433 1HG LYS 62 1HG LYS 62 18.072 -3.189 15.902 434 2HG LYS 62 2HG LYS 62 18.356 -2.761 17.591 435 1HD LYS 62 1HD LYS 62 16.257 -4.780 16.974 436 2HD LYS 62 2HD LYS 62 17.950 -5.264 16.849 437 1HE LYS 62 1HE LYS 62 17.189 -3.771 19.281 438 2HE LYS 62 2HE LYS 62 16.524 -5.396 19.126 439 1HZ LYS 62 1HZ LYS 62 18.585 -6.349 19.227 440 2HZ LYS 62 2HZ LYS 62 18.831 -5.014 20.236 441 3HZ LYS 62 3HZ LYS 62 19.389 -4.981 18.639 442 HA PRO 63 HA PRO 63 17.074 0.828 12.741 443 1HB PRO 63 1HB PRO 63 16.452 3.253 13.790 444 2HB PRO 63 2HB PRO 63 15.302 2.286 12.860 445 1HG PRO 63 1HG PRO 63 15.570 2.575 15.828 446 2HG PRO 63 2HG PRO 63 14.102 2.556 14.833 447 1HD PRO 63 1HD PRO 63 14.951 0.390 16.219 448 2HD PRO 63 2HD PRO 63 14.089 0.257 14.673 449 H LEU 64 H LEU 64 18.851 2.332 12.670 450 HA LEU 64 HA LEU 64 20.404 2.461 15.170 451 1HB LEU 64 1HB LEU 64 21.760 2.296 12.519 452 2HB LEU 64 2HB LEU 64 22.357 1.841 14.114 453 HG LEU 64 HG LEU 64 20.278 0.297 12.567 454 1HD1 LEU 64 1HD1 LEU 64 22.423 0.261 11.407 455 2HD1 LEU 64 2HD1 LEU 64 22.057 -1.310 12.119 456 3HD1 LEU 64 3HD1 LEU 64 23.227 -0.242 12.894 457 1HD2 LEU 64 1HD2 LEU 64 19.915 -0.419 14.688 458 2HD2 LEU 64 2HD2 LEU 64 21.526 0.041 15.240 459 3HD2 LEU 64 3HD2 LEU 64 21.302 -1.443 14.312 460 H GLY 65 H GLY 65 20.557 3.784 11.853 461 1HA GLY 65 1HA GLY 65 20.712 6.475 13.053 462 2HA GLY 65 2HA GLY 65 21.836 5.983 11.795 463 H ASN 66 H ASN 66 21.329 6.575 9.799 464 HA ASN 66 HA ASN 66 18.880 7.882 9.210 465 1HB ASN 66 1HB ASN 66 21.400 7.746 8.045 466 2HB ASN 66 2HB ASN 66 20.348 6.971 6.864 467 1HD2 ASN 66 2HD2 ASN 66 18.450 8.170 6.173 468 2HD2 ASN 66 1HD2 ASN 66 18.530 9.895 6.099 469 H ASN 67 H ASN 67 17.178 6.467 9.575 470 HA ASN 67 HA ASN 67 15.780 4.677 9.248 471 1HB ASN 67 1HB ASN 67 15.067 4.440 6.921 472 2HB ASN 67 2HB ASN 67 15.293 6.139 7.325 473 1HD2 ASN 67 2HD2 ASN 67 16.264 7.265 5.819 474 2HD2 ASN 67 1HD2 ASN 67 17.433 6.675 4.692 475 H SER 68 H SER 68 18.507 3.904 9.744 476 HA SER 68 HA SER 68 18.885 1.580 8.001 477 1HB SER 68 1HB SER 68 20.820 2.093 10.180 478 2HB SER 68 2HB SER 68 21.106 1.679 8.490 479 HG SER 68 HG SER 68 21.554 3.713 8.263 480 H TRP 69 H TRP 69 17.887 -0.217 8.603 481 HA TRP 69 HA TRP 69 17.508 -0.744 11.470 482 1HB TRP 69 1HB TRP 69 16.108 -2.000 9.100 483 2HB TRP 69 2HB TRP 69 15.738 -2.293 10.797 484 HD1 TRP 69 HD1 TRP 69 16.016 0.933 8.630 485 HE1 TRP 69 HE1 TRP 69 13.978 2.411 9.165 486 HE3 TRP 69 HE3 TRP 69 13.715 -2.072 12.067 487 HZ2 TRP 69 HZ2 TRP 69 11.697 2.316 10.825 488 HZ3 TRP 69 HZ3 TRP 69 11.608 -1.304 13.082 489 HH2 TRP 69 HH2 TRP 69 10.622 0.845 12.473 490 H THR 70 H THR 70 17.971 -2.805 12.330 491 HA THR 70 HA THR 70 19.678 -4.523 10.660 492 HB THR 70 HB THR 70 21.089 -3.109 12.147 493 HG1 THR 70 HG1 THR 70 21.129 -5.848 12.926 494 1HG2 THR 70 1HG2 THR 70 19.579 -2.873 14.036 495 2HG2 THR 70 2HG2 THR 70 21.092 -3.609 14.566 496 3HG2 THR 70 3HG2 THR 70 19.656 -4.608 14.343 497 H LEU 71 H LEU 71 19.620 -6.724 11.121 498 HA LEU 71 HA LEU 71 17.330 -7.557 12.755 499 1HB LEU 71 1HB LEU 71 18.594 -8.532 10.295 500 2HB LEU 71 2HB LEU 71 18.135 -9.798 11.432 501 HG LEU 71 HG LEU 71 16.414 -9.392 9.728 502 1HD1 LEU 71 1HD1 LEU 71 14.521 -9.198 11.249 503 2HD1 LEU 71 2HD1 LEU 71 15.586 -8.580 12.511 504 3HD1 LEU 71 3HD1 LEU 71 15.776 -10.234 11.929 505 1HD2 LEU 71 1HD2 LEU 71 16.757 -7.053 9.289 506 2HD2 LEU 71 2HD2 LEU 71 16.321 -6.635 10.947 507 3HD2 LEU 71 3HD2 LEU 71 15.102 -7.291 9.852 508 H GLU 72 H GLU 72 17.500 -9.203 14.285 509 HA GLU 72 HA GLU 72 20.088 -10.369 14.862 510 1HB GLU 72 1HB GLU 72 18.831 -8.262 16.563 511 2HB GLU 72 2HB GLU 72 19.685 -9.580 17.354 512 1HG GLU 72 1HG GLU 72 21.643 -9.018 15.840 513 2HG GLU 72 2HG GLU 72 20.775 -7.534 15.451 514 HA PRO 73 HA PRO 73 17.685 -13.732 16.330 515 1HB PRO 73 1HB PRO 73 19.242 -14.720 18.322 516 2HB PRO 73 2HB PRO 73 19.653 -14.884 16.610 517 1HG PRO 73 1HG PRO 73 20.671 -12.915 18.623 518 2HG PRO 73 2HG PRO 73 21.568 -13.817 17.386 519 1HD PRO 73 1HD PRO 73 20.845 -11.227 17.064 520 2HD PRO 73 2HD PRO 73 20.957 -12.363 15.705 521 H ALA 74 H ALA 74 15.854 -13.605 17.453 522 HA ALA 74 HA ALA 74 15.945 -12.473 20.174 523 1HB ALA 74 1HB ALA 74 13.334 -12.329 18.912 524 2HB ALA 74 2HB ALA 74 14.271 -11.073 19.722 525 3HB ALA 74 3HB ALA 74 14.565 -11.434 18.021 526 HA PRO 75 HA PRO 75 14.093 -16.135 21.728 527 1HB PRO 75 1HB PRO 75 12.374 -15.174 23.596 528 2HB PRO 75 2HB PRO 75 14.128 -15.158 23.807 529 1HG PRO 75 1HG PRO 75 12.303 -12.947 22.944 530 2HG PRO 75 2HG PRO 75 13.666 -12.895 24.077 531 1HD PRO 75 1HD PRO 75 13.870 -12.048 21.513 532 2HD PRO 75 2HD PRO 75 15.230 -12.782 22.387 533 H ALA 76 H ALA 76 12.034 -17.298 22.051 534 HA ALA 76 HA ALA 76 10.348 -17.094 19.820 535 1HB ALA 76 1HB ALA 76 10.184 -19.201 20.584 536 2HB ALA 76 2HB ALA 76 10.456 -18.725 22.261 537 3HB ALA 76 3HB ALA 76 8.854 -18.552 21.544 538 HA PRO 77 HA PRO 77 7.230 -14.197 20.885 539 1HB PRO 77 1HB PRO 77 4.976 -15.388 19.952 540 2HB PRO 77 2HB PRO 77 6.210 -14.701 18.889 541 1HG PRO 77 1HG PRO 77 5.770 -17.554 19.684 542 2HG PRO 77 2HG PRO 77 6.155 -16.884 18.088 543 1HD PRO 77 1HD PRO 77 8.024 -18.031 19.676 544 2HD PRO 77 2HD PRO 77 8.401 -16.694 18.570 545 H LYS 78 H LYS 78 5.185 -13.876 22.088 546 HA LYS 78 HA LYS 78 5.153 -15.570 24.457 547 1HB LYS 78 1HB LYS 78 3.787 -13.809 25.458 548 2HB LYS 78 2HB LYS 78 5.247 -13.135 24.745 549 1HG LYS 78 1HG LYS 78 3.484 -12.931 22.680 550 2HG LYS 78 2HG LYS 78 2.438 -12.674 24.079 551 1HD LYS 78 1HD LYS 78 3.359 -10.678 24.551 552 2HD LYS 78 2HD LYS 78 4.994 -11.239 24.195 553 1HE LYS 78 1HE LYS 78 3.440 -11.122 21.783 554 2HE LYS 78 2HE LYS 78 3.361 -9.576 22.626 555 1HZ LYS 78 1HZ LYS 78 5.437 -10.546 21.064 556 2HZ LYS 78 2HZ LYS 78 6.011 -10.542 22.654 557 3HZ LYS 78 3HZ LYS 78 5.410 -9.117 21.968 558 H GLU 79 H GLU 79 3.873 -16.096 21.670 559 HA GLU 79 HA GLU 79 1.168 -16.718 22.654 560 1HB GLU 79 1HB GLU 79 1.575 -15.224 20.558 561 2HB GLU 79 2HB GLU 79 1.927 -16.746 19.752 562 1HG GLU 79 1HG GLU 79 -0.246 -17.532 20.014 563 2HG GLU 79 2HG GLU 79 -0.611 -16.372 21.290 564 H ASP 80 H ASP 80 0.214 -18.744 21.907 565 HA ASP 80 HA ASP 80 1.832 -20.958 22.446 566 1HB ASP 80 1HB ASP 80 -0.813 -20.857 20.978 567 2HB ASP 80 2HB ASP 80 -0.073 -22.313 21.640 568 H ALA 81 H ALA 81 1.601 -22.915 20.706 569 HA ALA 81 HA ALA 81 2.453 -21.978 18.071 570 1HB ALA 81 1HB ALA 81 4.536 -22.940 18.083 571 2HB ALA 81 2HB ALA 81 4.418 -22.389 19.755 572 3HB ALA 81 3HB ALA 81 4.123 -24.083 19.362 573 H LEU 82 H LEU 82 3.215 -24.309 16.927 574 HA LEU 82 HA LEU 82 0.743 -25.887 17.040 575 1HB LEU 82 1HB LEU 82 1.362 -26.674 14.805 576 2HB LEU 82 2HB LEU 82 1.224 -24.918 14.883 577 HG LEU 82 HG LEU 82 3.929 -26.099 15.211 578 1HD1 LEU 82 1HD1 LEU 82 2.462 -25.973 12.582 579 2HD1 LEU 82 2HD1 LEU 82 3.113 -27.410 13.369 580 3HD1 LEU 82 3HD1 LEU 82 4.207 -26.172 12.751 581 1HD2 LEU 82 1HD2 LEU 82 3.614 -23.922 13.351 582 2HD2 LEU 82 2HD2 LEU 82 4.539 -23.993 14.851 583 3HD2 LEU 82 3HD2 LEU 82 2.830 -23.555 14.888 584 H THR 83 H THR 83 2.186 -26.579 19.104 585 HA THR 83 HA THR 83 4.166 -28.575 18.572 586 HB THR 83 HB THR 83 4.182 -27.288 20.669 587 HG1 THR 83 HG1 THR 83 5.114 -28.981 21.518 588 1HG2 THR 83 1HG2 THR 83 1.441 -28.183 20.785 589 2HG2 THR 83 2HG2 THR 83 2.255 -26.942 21.739 590 3HG2 THR 83 3HG2 THR 83 2.307 -28.627 22.255 591 H VAL 84 H VAL 84 3.971 -30.833 19.269 592 HA VAL 84 HA VAL 84 1.946 -32.209 17.997 593 HB VAL 84 HB VAL 84 2.605 -34.169 19.451 594 1HG1 VAL 84 1HG1 VAL 84 5.213 -33.452 18.602 595 2HG1 VAL 84 2HG1 VAL 84 4.047 -34.504 17.798 596 3HG1 VAL 84 3HG1 VAL 84 4.063 -32.775 17.449 597 1HG2 VAL 84 1HG2 VAL 84 4.548 -32.156 20.579 598 2HG2 VAL 84 2HG2 VAL 84 3.216 -32.913 21.452 599 3HG2 VAL 84 3HG2 VAL 84 4.568 -33.893 20.886 600 H VAL 85 H VAL 85 0.409 -33.787 19.078 601 HA VAL 85 HA VAL 85 -1.602 -32.427 20.414 602 HB VAL 85 HB VAL 85 -1.105 -35.403 20.558 603 1HG1 VAL 85 1HG1 VAL 85 -3.694 -33.868 20.731 604 2HG1 VAL 85 2HG1 VAL 85 -3.467 -35.605 20.941 605 3HG1 VAL 85 3HG1 VAL 85 -2.801 -34.479 22.124 606 1HG2 VAL 85 1HG2 VAL 85 -1.178 -35.146 18.296 607 2HG2 VAL 85 2HG2 VAL 85 -2.911 -35.201 18.620 608 3HG2 VAL 85 3HG2 VAL 85 -2.107 -33.649 18.383 609 H GLY 86 H GLY 86 -2.180 -32.133 22.520 610 1HA GLY 86 1HA GLY 86 -1.153 -33.537 24.725 611 2HA GLY 86 2HA GLY 86 -0.178 -32.095 24.490 612 H ASP 87 H ASP 87 -1.816 -30.131 23.897 613 HA ASP 87 HA ASP 87 -3.817 -30.115 26.061 614 1HB ASP 87 1HB ASP 87 -2.091 -27.823 25.098 615 2HB ASP 87 2HB ASP 87 -3.346 -27.704 26.328 616 H TRP 88 H TRP 88 -3.008 -29.117 22.801 617 HA TRP 88 HA TRP 88 -4.271 -28.401 21.051 618 1HB TRP 88 1HB TRP 88 -5.526 -30.406 21.251 619 2HB TRP 88 2HB TRP 88 -6.362 -29.827 22.690 620 HD1 TRP 88 HD1 TRP 88 -8.552 -28.437 22.343 621 HE1 TRP 88 HE1 TRP 88 -9.944 -27.794 20.276 622 HE3 TRP 88 HE3 TRP 88 -5.240 -29.775 18.685 623 HZ2 TRP 88 HZ2 TRP 88 -9.675 -27.848 17.467 624 HZ3 TRP 88 HZ3 TRP 88 -5.885 -29.448 16.333 625 HH2 TRP 88 HH2 TRP 88 -8.057 -28.504 15.739 626 H LEU 89 H LEU 89 -4.118 -26.209 21.163 627 HA LEU 89 HA LEU 89 -6.047 -24.773 22.849 628 1HB LEU 89 1HB LEU 89 -3.459 -24.360 22.792 629 2HB LEU 89 2HB LEU 89 -3.848 -23.421 21.351 630 HG LEU 89 HG LEU 89 -3.655 -22.006 23.334 631 1HD1 LEU 89 1HD1 LEU 89 -5.188 -21.386 21.514 632 2HD1 LEU 89 2HD1 LEU 89 -5.736 -20.799 23.083 633 3HD1 LEU 89 3HD1 LEU 89 -6.499 -22.212 22.356 634 1HD2 LEU 89 1HD2 LEU 89 -6.121 -23.306 24.437 635 2HD2 LEU 89 2HD2 LEU 89 -4.980 -22.225 25.238 636 3HD2 LEU 89 3HD2 LEU 89 -4.512 -23.885 24.866 637 H GLY 90 H GLY 90 -7.870 -25.008 21.524 638 1HA GLY 90 1HA GLY 90 -7.958 -24.478 18.768 639 2HA GLY 90 2HA GLY 90 -9.333 -24.410 19.861 640 H ASP 91 H ASP 91 -7.588 -22.653 17.717 641 HA ASP 91 HA ASP 91 -8.241 -20.110 19.056 642 1HB ASP 91 1HB ASP 91 -5.956 -20.903 17.292 643 2HB ASP 91 2HB ASP 91 -6.505 -19.229 17.285 644 H ALA 92 H ALA 92 -10.343 -21.175 17.889 645 HA ALA 92 HA ALA 92 -10.548 -20.430 15.104 646 1HB ALA 92 1HB ALA 92 -12.135 -21.957 17.015 647 2HB ALA 92 2HB ALA 92 -13.108 -20.954 15.939 648 3HB ALA 92 3HB ALA 92 -11.983 -22.134 15.266 649 H ARG 93 H ARG 93 -11.805 -18.775 14.250 650 HA ARG 93 HA ARG 93 -12.277 -16.548 16.086 651 1HB ARG 93 1HB ARG 93 -12.393 -16.494 13.071 652 2HB ARG 93 2HB ARG 93 -12.250 -15.125 14.165 653 1HG ARG 93 1HG ARG 93 -10.019 -15.865 14.813 654 2HG ARG 93 2HG ARG 93 -10.163 -17.251 13.731 655 1HD ARG 93 1HD ARG 93 -8.869 -15.292 12.823 656 2HD ARG 93 2HD ARG 93 -10.195 -15.864 11.811 657 HE ARG 93 HE ARG 93 -10.925 -13.719 13.582 658 1HH1 ARG 93 2HH1 ARG 93 -9.589 -14.547 10.475 659 2HH1 ARG 93 1HH1 ARG 93 -10.014 -13.035 9.744 660 1HH2 ARG 93 2HH2 ARG 93 -11.489 -11.724 12.630 661 2HH2 ARG 93 1HH2 ARG 93 -11.094 -11.429 10.971 662 H GLU 94 H GLU 94 -14.203 -15.125 15.506 663 HA GLU 94 HA GLU 94 -16.560 -16.837 15.422 664 1HB GLU 94 1HB GLU 94 -17.769 -14.991 16.327 665 2HB GLU 94 2HB GLU 94 -16.245 -15.085 17.198 666 1HG GLU 94 1HG GLU 94 -15.446 -13.351 15.428 667 2HG GLU 94 2HG GLU 94 -17.172 -13.062 15.217 668 H ASN 95 H ASN 95 -18.537 -15.716 14.322 669 HA ASN 95 HA ASN 95 -17.749 -14.529 11.758 670 1HB ASN 95 1HB ASN 95 -19.318 -17.054 12.179 671 2HB ASN 95 2HB ASN 95 -19.606 -16.061 10.754 672 1HD2 ASN 95 2HD2 ASN 95 -17.165 -17.862 12.521 673 2HD2 ASN 95 1HD2 ASN 95 -16.141 -18.166 11.164 674 H ASP 96 H ASP 96 -19.971 -14.069 10.505 675 HA ASP 96 HA ASP 96 -21.417 -12.269 12.256 676 1HB ASP 96 1HB ASP 96 -22.336 -11.313 10.268 677 2HB ASP 96 2HB ASP 96 -20.635 -11.633 9.943 678 H LEU 97 H LEU 97 -23.910 -12.119 11.434 679 HA LEU 97 HA LEU 97 -25.072 -14.802 11.412 680 1HB LEU 97 1HB LEU 97 -25.357 -12.764 13.560 681 2HB LEU 97 2HB LEU 97 -26.759 -13.748 13.148 682 HG LEU 97 HG LEU 97 -24.154 -15.071 13.785 683 1HD1 LEU 97 1HD1 LEU 97 -25.700 -13.425 15.599 684 2HD1 LEU 97 2HD1 LEU 97 -24.126 -14.187 15.825 685 3HD1 LEU 97 3HD1 LEU 97 -25.600 -15.101 16.142 686 1HD2 LEU 97 1HD2 LEU 97 -26.912 -15.967 14.528 687 2HD2 LEU 97 2HD2 LEU 97 -25.461 -16.930 14.248 688 3HD2 LEU 97 3HD2 LEU 97 -26.306 -16.192 12.887 689 H GLU 98 H GLU 98 -27.598 -14.529 11.326 690 HA GLU 98 HA GLU 98 -28.131 -12.515 9.250 691 1HB GLU 98 1HB GLU 98 -29.542 -15.125 9.831 692 2HB GLU 98 2HB GLU 98 -29.998 -13.992 8.566 693 1HG GLU 98 1HG GLU 98 -28.772 -15.608 7.446 694 2HG GLU 98 2HG GLU 98 -27.613 -14.302 7.691 695 H HIS 99 H HIS 99 -30.703 -12.168 9.167 696 HA HIS 99 HA HIS 99 -31.460 -11.292 11.876 697 1HB HIS 99 1HB HIS 99 -32.119 -10.088 9.184 698 2HB HIS 99 2HB HIS 99 -32.851 -9.565 10.697 699 HD1 HIS 99 HD1 HIS 99 -29.369 -9.891 9.201 700 HD2 HIS 99 HD2 HIS 99 -31.489 -7.568 11.916 701 HE1 HIS 99 HE1 HIS 99 -27.784 -8.073 9.913 702 H HIS 100 H HIS 100 -34.025 -10.792 11.764 703 HA HIS 100 HA HIS 100 -35.352 -13.134 10.587 704 1HB HIS 100 1HB HIS 100 -36.685 -13.358 12.699 705 2HB HIS 100 2HB HIS 100 -34.979 -13.754 12.879 706 HD1 HIS 100 HD1 HIS 100 -37.501 -11.120 13.790 707 HD2 HIS 100 HD2 HIS 100 -33.566 -12.149 14.640 708 HE1 HIS 100 HE1 HIS 100 -36.827 -9.662 15.726 709 H HIS 101 H HIS 101 -37.868 -12.842 11.079 710 HA HIS 101 HA HIS 101 -38.873 -10.187 11.140 711 1HB HIS 101 1HB HIS 101 -37.892 -10.138 8.880 712 2HB HIS 101 2HB HIS 101 -38.850 -11.548 8.437 713 HD1 HIS 101 HD1 HIS 101 -40.484 -8.900 10.471 714 HD2 HIS 101 HD2 HIS 101 -40.180 -10.005 6.477 715 HE1 HIS 101 HE1 HIS 101 -42.262 -7.586 9.272 716 H HIS 102 H HIS 102 -40.942 -10.251 11.767 717 HA HIS 102 HA HIS 102 -42.463 -12.728 11.289 718 1HB HIS 102 1HB HIS 102 -43.407 -12.602 13.498 719 2HB HIS 102 2HB HIS 102 -41.654 -12.526 13.650 720 HD1 HIS 102 HD1 HIS 102 -44.610 -10.930 14.852 721 HD2 HIS 102 HD2 HIS 102 -40.780 -9.651 13.872 722 HE1 HIS 102 HE1 HIS 102 -44.325 -8.713 16.006 723 H HIS 103 H HIS 103 -44.816 -12.454 11.376 724 HA HIS 103 HA HIS 103 -45.662 -10.277 9.783 725 1HB HIS 103 1HB HIS 103 -47.284 -12.293 11.350 726 2HB HIS 103 2HB HIS 103 -47.946 -11.185 10.152 727 HD1 HIS 103 HD1 HIS 103 -46.642 -11.481 7.683 728 HD2 HIS 103 HD2 HIS 103 -46.715 -14.708 10.299 729 HE1 HIS 103 HE1 HIS 103 -46.180 -13.506 6.265 730 H HIS 104 H HIS 104 -46.884 -8.475 10.266 731 HA HIS 104 HA HIS 104 -46.404 -7.141 12.647 732 1HB HIS 104 1HB HIS 104 -48.499 -6.777 10.517 733 2HB HIS 104 2HB HIS 104 -48.437 -5.722 11.926 734 HD1 HIS 104 HD1 HIS 104 -45.670 -6.999 9.638 735 HD2 HIS 104 HD2 HIS 104 -47.253 -3.445 11.094 736 HE1 HIS 104 HE1 HIS 104 -44.193 -5.181 8.723 Start of MODEL 4 1 1H ALA 1 H ALA 1 1.674 -0.221 0.691 2 HA ALA 1 HA ALA 1 1.483 0.565 -2.124 3 1HB ALA 1 1HB ALA 1 3.697 0.418 -0.143 4 2HB ALA 1 2HB ALA 1 4.086 0.240 -1.855 5 3HB ALA 1 3HB ALA 1 3.279 1.700 -1.281 6 H GLN 2 H GLN 2 0.750 -1.146 -3.274 7 HA GLN 2 HA GLN 2 1.187 -3.838 -2.778 8 1HB GLN 2 1HB GLN 2 -0.503 -3.125 -4.343 9 2HB GLN 2 2HB GLN 2 0.710 -2.412 -5.397 10 1HG GLN 2 1HG GLN 2 0.020 -4.460 -6.372 11 2HG GLN 2 2HG GLN 2 1.650 -4.692 -5.741 12 1HE2 GLN 2 2HE2 GLN 2 1.740 -6.763 -5.193 13 2HE2 GLN 2 1HE2 GLN 2 0.621 -7.578 -4.159 14 H VAL 3 H VAL 3 2.963 -5.032 -2.796 15 HA VAL 3 HA VAL 3 5.082 -4.418 -4.732 16 HB VAL 3 HB VAL 3 5.545 -4.938 -1.792 17 1HG1 VAL 3 1HG1 VAL 3 7.948 -4.198 -2.880 18 2HG1 VAL 3 2HG1 VAL 3 7.464 -5.851 -2.497 19 3HG1 VAL 3 3HG1 VAL 3 7.263 -5.229 -4.136 20 1HG2 VAL 3 1HG2 VAL 3 5.099 -2.539 -3.225 21 2HG2 VAL 3 2HG2 VAL 3 5.555 -2.733 -1.533 22 3HG2 VAL 3 3HG2 VAL 3 6.803 -2.577 -2.769 23 H ASN 4 H ASN 4 5.540 -6.165 -5.884 24 HA ASN 4 HA ASN 4 5.131 -8.810 -4.651 25 1HB ASN 4 1HB ASN 4 4.930 -9.486 -7.189 26 2HB ASN 4 2HB ASN 4 3.544 -8.822 -6.330 27 1HD2 ASN 4 2HD2 ASN 4 6.039 -8.193 -8.672 28 2HD2 ASN 4 1HD2 ASN 4 5.323 -6.773 -9.348 29 H ILE 5 H ILE 5 6.973 -9.829 -4.266 30 HA ILE 5 HA ILE 5 9.202 -9.472 -6.161 31 HB ILE 5 HB ILE 5 9.470 -9.862 -3.178 32 1HG1 ILE 5 1HG1 ILE 5 10.254 -7.387 -4.693 33 2HG1 ILE 5 2HG1 ILE 5 8.611 -7.590 -4.095 34 1HG2 ILE 5 1HG2 ILE 5 11.324 -10.848 -4.305 35 2HG2 ILE 5 2HG2 ILE 5 11.494 -9.452 -5.369 36 3HG2 ILE 5 3HG2 ILE 5 11.865 -9.301 -3.652 37 1HD1 ILE 5 1HD1 ILE 5 11.090 -7.673 -2.394 38 2HD1 ILE 5 2HD1 ILE 5 10.022 -6.281 -2.578 39 3HD1 ILE 5 3HD1 ILE 5 9.422 -7.761 -1.830 40 H ALA 6 H ALA 6 10.259 -11.279 -6.818 41 HA ALA 6 HA ALA 6 9.040 -13.828 -6.139 42 1HB ALA 6 1HB ALA 6 9.845 -12.873 -8.498 43 2HB ALA 6 2HB ALA 6 11.320 -13.714 -8.021 44 3HB ALA 6 3HB ALA 6 9.797 -14.597 -8.131 45 HA PRO 7 HA PRO 7 12.183 -14.856 -3.195 46 1HB PRO 7 1HB PRO 7 11.572 -17.491 -2.955 47 2HB PRO 7 2HB PRO 7 10.600 -16.209 -2.223 48 1HG PRO 7 1HG PRO 7 10.138 -17.718 -4.766 49 2HG PRO 7 2HG PRO 7 8.975 -17.267 -3.506 50 1HD PRO 7 1HD PRO 7 9.216 -15.891 -5.826 51 2HD PRO 7 2HD PRO 7 8.764 -15.112 -4.296 52 H GLY 8 H GLY 8 13.396 -17.337 -3.048 53 1HA GLY 8 1HA GLY 8 14.665 -18.885 -4.396 54 2HA GLY 8 2HA GLY 8 14.704 -17.673 -5.668 55 H SER 9 H SER 9 15.207 -15.873 -3.059 56 HA SER 9 HA SER 9 17.778 -16.473 -2.147 57 1HB SER 9 1HB SER 9 17.764 -15.483 -4.818 58 2HB SER 9 2HB SER 9 18.435 -14.224 -3.781 59 HG SER 9 HG SER 9 20.139 -15.491 -4.265 60 H LEU 10 H LEU 10 17.755 -15.467 -0.260 61 HA LEU 10 HA LEU 10 16.023 -13.381 0.424 62 1HB LEU 10 1HB LEU 10 16.822 -14.705 2.179 63 2HB LEU 10 2HB LEU 10 18.502 -14.494 1.689 64 HG LEU 10 HG LEU 10 17.022 -12.080 2.582 65 1HD1 LEU 10 1HD1 LEU 10 16.287 -13.458 4.319 66 2HD1 LEU 10 2HD1 LEU 10 17.745 -12.698 4.955 67 3HD1 LEU 10 3HD1 LEU 10 17.802 -14.360 4.368 68 1HD2 LEU 10 1HD2 LEU 10 19.226 -11.663 1.946 69 2HD2 LEU 10 2HD2 LEU 10 19.825 -13.139 2.703 70 3HD2 LEU 10 3HD2 LEU 10 19.312 -11.779 3.704 71 H ASP 11 H ASP 11 19.333 -13.353 -0.744 72 HA ASP 11 HA ASP 11 20.029 -10.718 -0.180 73 1HB ASP 11 1HB ASP 11 21.462 -10.975 -2.326 74 2HB ASP 11 2HB ASP 11 21.779 -12.049 -0.966 75 H LYS 12 H LYS 12 18.411 -12.046 -3.052 76 HA LYS 12 HA LYS 12 18.131 -9.538 -4.358 77 1HB LYS 12 1HB LYS 12 16.493 -12.045 -4.766 78 2HB LYS 12 2HB LYS 12 16.659 -10.706 -5.894 79 1HG LYS 12 1HG LYS 12 18.737 -11.346 -6.570 80 2HG LYS 12 2HG LYS 12 19.129 -12.101 -5.023 81 1HD LYS 12 1HD LYS 12 18.861 -13.960 -6.343 82 2HD LYS 12 2HD LYS 12 17.220 -13.769 -5.721 83 1HE LYS 12 1HE LYS 12 18.215 -12.728 -8.372 84 2HE LYS 12 2HE LYS 12 17.272 -14.200 -8.148 85 1HZ LYS 12 1HZ LYS 12 16.419 -11.400 -7.726 86 2HZ LYS 12 2HZ LYS 12 15.562 -12.700 -7.066 87 3HZ LYS 12 3HZ LYS 12 15.733 -12.565 -8.743 88 H ALA 13 H ALA 13 15.740 -11.603 -2.699 89 HA ALA 13 HA ALA 13 13.548 -9.948 -2.837 90 1HB ALA 13 1HB ALA 13 14.362 -11.779 -0.585 91 2HB ALA 13 2HB ALA 13 12.759 -11.067 -0.773 92 3HB ALA 13 3HB ALA 13 13.372 -12.192 -1.985 93 H LEU 14 H LEU 14 16.255 -9.810 -0.585 94 HA LEU 14 HA LEU 14 15.178 -7.892 1.174 95 1HB LEU 14 1HB LEU 14 17.011 -8.911 2.073 96 2HB LEU 14 2HB LEU 14 17.886 -8.928 0.544 97 HG LEU 14 HG LEU 14 18.342 -6.513 0.820 98 1HD1 LEU 14 1HD1 LEU 14 16.646 -5.659 2.150 99 2HD1 LEU 14 2HD1 LEU 14 18.024 -5.699 3.249 100 3HD1 LEU 14 3HD1 LEU 14 16.787 -6.953 3.340 101 1HD2 LEU 14 1HD2 LEU 14 19.473 -7.320 3.312 102 2HD2 LEU 14 2HD2 LEU 14 20.251 -7.174 1.735 103 3HD2 LEU 14 3HD2 LEU 14 19.484 -8.693 2.203 104 H ASN 15 H ASN 15 17.306 -7.541 -1.654 105 HA ASN 15 HA ASN 15 17.429 -4.706 -1.511 106 1HB ASN 15 1HB ASN 15 18.100 -6.717 -3.648 107 2HB ASN 15 2HB ASN 15 18.202 -4.987 -3.960 108 1HD2 ASN 15 2HD2 ASN 15 19.174 -7.308 -1.454 109 2HD2 ASN 15 1HD2 ASN 15 20.759 -6.658 -1.229 110 H GLN 16 H GLN 16 15.277 -6.981 -3.073 111 HA GLN 16 HA GLN 16 14.024 -5.273 -4.894 112 1HB GLN 16 1HB GLN 16 12.814 -7.589 -3.374 113 2HB GLN 16 2HB GLN 16 12.149 -6.859 -4.829 114 1HG GLN 16 1HG GLN 16 14.900 -7.682 -5.193 115 2HG GLN 16 2HG GLN 16 13.864 -9.019 -4.696 116 1HE2 GLN 16 2HE2 GLN 16 14.591 -9.670 -6.933 117 2HE2 GLN 16 1HE2 GLN 16 13.570 -9.202 -8.246 118 H TYR 17 H TYR 17 12.954 -6.168 -1.611 119 HA TYR 17 HA TYR 17 10.857 -4.239 -1.577 120 1HB TYR 17 1HB TYR 17 10.290 -5.119 0.460 121 2HB TYR 17 2HB TYR 17 11.267 -6.449 -0.152 122 HD1 TYR 17 HD1 TYR 17 13.347 -7.028 0.872 123 HD2 TYR 17 HD2 TYR 17 11.232 -3.561 2.140 124 HE1 TYR 17 HE1 TYR 17 14.818 -6.856 2.835 125 HE2 TYR 17 HE2 TYR 17 12.698 -3.378 4.106 126 HH TYR 17 HH TYR 17 14.161 -4.689 5.439 127 H ALA 18 H ALA 18 14.175 -4.310 -0.411 128 HA ALA 18 HA ALA 18 14.116 -1.985 1.159 129 1HB ALA 18 1HB ALA 18 16.451 -3.092 -0.395 130 2HB ALA 18 2HB ALA 18 16.529 -1.990 0.980 131 3HB ALA 18 3HB ALA 18 15.942 -3.638 1.203 132 H ALA 19 H ALA 19 14.440 -2.462 -2.293 133 HA ALA 19 HA ALA 19 15.225 0.250 -2.839 134 1HB ALA 19 1HB ALA 19 15.944 -1.504 -4.333 135 2HB ALA 19 2HB ALA 19 14.270 -1.943 -4.673 136 3HB ALA 19 3HB ALA 19 14.896 -0.382 -5.203 137 H HIS 20 H HIS 20 12.238 -1.522 -2.595 138 HA HIS 20 HA HIS 20 10.633 0.448 -3.928 139 1HB HIS 20 1HB HIS 20 9.054 -1.141 -3.851 140 2HB HIS 20 2HB HIS 20 10.266 -2.190 -3.123 141 HD1 HIS 20 HD1 HIS 20 7.496 0.184 -2.110 142 HD2 HIS 20 HD2 HIS 20 9.726 -2.960 -0.558 143 HE1 HIS 20 HE1 HIS 20 6.437 -0.363 0.104 144 H SER 21 H SER 21 11.772 -0.078 -0.697 145 HA SER 21 HA SER 21 9.856 1.727 0.506 146 1HB SER 21 1HB SER 21 10.528 -0.047 1.926 147 2HB SER 21 2HB SER 21 12.236 0.206 1.565 148 HG SER 21 HG SER 21 12.165 2.120 2.736 149 H GLY 22 H GLY 22 13.423 1.702 0.286 150 1HA GLY 22 1HA GLY 22 14.572 3.637 -0.648 151 2HA GLY 22 2HA GLY 22 13.311 4.643 0.049 152 H PHE 23 H PHE 23 14.595 2.005 1.891 153 HA PHE 23 HA PHE 23 16.130 3.921 3.521 154 1HB PHE 23 1HB PHE 23 15.342 2.968 5.505 155 2HB PHE 23 2HB PHE 23 13.911 2.986 4.479 156 HD1 PHE 23 HD1 PHE 23 15.812 1.047 6.659 157 HD2 PHE 23 HD2 PHE 23 13.610 0.784 3.026 158 HE1 PHE 23 HE1 PHE 23 15.546 -1.375 7.000 159 HE2 PHE 23 HE2 PHE 23 13.339 -1.639 3.361 160 HZ PHE 23 HZ PHE 23 14.307 -2.721 5.350 161 H THR 24 H THR 24 17.720 2.735 5.002 162 HA THR 24 HA THR 24 19.138 0.740 3.373 163 HB THR 24 HB THR 24 20.292 2.405 5.614 164 HG1 THR 24 HG1 THR 24 21.084 3.748 3.957 165 1HG2 THR 24 1HG2 THR 24 21.675 0.533 5.249 166 2HG2 THR 24 2HG2 THR 24 22.426 1.837 4.329 167 3HG2 THR 24 3HG2 THR 24 21.463 0.614 3.501 168 H LEU 25 H LEU 25 20.073 -1.092 4.359 169 HA LEU 25 HA LEU 25 19.231 -1.691 7.100 170 1HB LEU 25 1HB LEU 25 17.535 -2.635 5.610 171 2HB LEU 25 2HB LEU 25 18.790 -3.512 4.737 172 HG LEU 25 HG LEU 25 19.160 -4.402 7.293 173 1HD1 LEU 25 1HD1 LEU 25 17.269 -3.396 8.263 174 2HD1 LEU 25 2HD1 LEU 25 16.815 -5.076 7.981 175 3HD1 LEU 25 3HD1 LEU 25 16.242 -3.814 6.891 176 1HD2 LEU 25 1HD2 LEU 25 19.115 -5.767 5.281 177 2HD2 LEU 25 2HD2 LEU 25 17.368 -5.560 5.160 178 3HD2 LEU 25 3HD2 LEU 25 18.059 -6.450 6.517 179 H SER 26 H SER 26 20.705 -2.800 8.263 180 HA SER 26 HA SER 26 23.061 -3.835 6.824 181 1HB SER 26 1HB SER 26 22.898 -1.835 8.880 182 2HB SER 26 2HB SER 26 23.805 -3.220 9.486 183 HG SER 26 HG SER 26 24.342 -2.121 6.944 184 H VAL 27 H VAL 27 22.749 -5.985 6.821 185 HA VAL 27 HA VAL 27 22.408 -7.297 9.432 186 HB VAL 27 HB VAL 27 20.267 -7.527 8.426 187 1HG1 VAL 27 1HG1 VAL 27 21.834 -7.964 5.942 188 2HG1 VAL 27 2HG1 VAL 27 20.275 -8.777 6.090 189 3HG1 VAL 27 3HG1 VAL 27 20.369 -7.019 6.206 190 1HG2 VAL 27 1HG2 VAL 27 21.765 -10.076 7.834 191 2HG2 VAL 27 2HG2 VAL 27 21.254 -9.567 9.443 192 3HG2 VAL 27 3HG2 VAL 27 20.049 -9.914 8.204 193 H ASP 28 H ASP 28 23.683 -9.042 9.797 194 HA ASP 28 HA ASP 28 25.978 -9.425 8.207 195 1HB ASP 28 1HB ASP 28 26.269 -11.498 9.689 196 2HB ASP 28 2HB ASP 28 26.209 -9.934 10.496 197 H ALA 29 H ALA 29 25.487 -9.987 6.115 198 HA ALA 29 HA ALA 29 23.690 -12.122 5.474 199 1HB ALA 29 1HB ALA 29 23.911 -11.457 3.329 200 2HB ALA 29 2HB ALA 29 24.597 -10.014 4.077 201 3HB ALA 29 3HB ALA 29 25.661 -11.274 3.452 202 H SER 30 H SER 30 26.763 -12.107 6.717 203 HA SER 30 HA SER 30 28.156 -14.043 5.291 204 1HB SER 30 1HB SER 30 29.215 -12.758 7.064 205 2HB SER 30 2HB SER 30 28.165 -13.500 8.270 206 HG SER 30 HG SER 30 29.257 -15.354 8.113 207 H LEU 31 H LEU 31 25.939 -14.476 8.040 208 HA LEU 31 HA LEU 31 26.043 -17.356 7.780 209 1HB LEU 31 1HB LEU 31 24.162 -15.773 9.508 210 2HB LEU 31 2HB LEU 31 24.692 -17.441 9.719 211 HG LEU 31 HG LEU 31 27.059 -16.184 9.935 212 1HD1 LEU 31 1HD1 LEU 31 25.357 -14.041 9.847 213 2HD1 LEU 31 2HD1 LEU 31 26.975 -14.039 10.546 214 3HD1 LEU 31 3HD1 LEU 31 25.569 -14.292 11.580 215 1HD2 LEU 31 1HD2 LEU 31 26.141 -17.786 11.516 216 2HD2 LEU 31 2HD2 LEU 31 25.032 -16.563 12.137 217 3HD2 LEU 31 3HD2 LEU 31 26.771 -16.373 12.363 218 H THR 32 H THR 32 23.695 -14.762 7.238 219 HA THR 32 HA THR 32 21.482 -16.302 6.557 220 HB THR 32 HB THR 32 22.300 -13.596 5.486 221 HG1 THR 32 HG1 THR 32 21.922 -13.412 7.646 222 1HG2 THR 32 1HG2 THR 32 20.700 -14.419 3.952 223 2HG2 THR 32 2HG2 THR 32 19.799 -13.390 5.065 224 3HG2 THR 32 3HG2 THR 32 19.731 -15.144 5.234 225 H ARG 33 H ARG 33 24.241 -15.307 4.607 226 HA ARG 33 HA ARG 33 23.358 -15.909 2.067 227 1HB ARG 33 1HB ARG 33 25.994 -15.848 3.409 228 2HB ARG 33 2HB ARG 33 25.921 -16.750 1.901 229 1HG ARG 33 1HG ARG 33 24.798 -13.989 2.028 230 2HG ARG 33 2HG ARG 33 26.540 -14.229 1.884 231 1HD ARG 33 1HD ARG 33 25.800 -15.879 -0.038 232 2HD ARG 33 2HD ARG 33 24.362 -14.859 -0.044 233 HE ARG 33 HE ARG 33 26.745 -13.307 -0.114 234 1HH1 ARG 33 2HH1 ARG 33 24.631 -15.253 -2.080 235 2HH1 ARG 33 1HH1 ARG 33 25.040 -14.440 -3.554 236 1HH2 ARG 33 2HH2 ARG 33 27.291 -12.228 -2.048 237 2HH2 ARG 33 1HH2 ARG 33 26.553 -12.720 -3.535 238 H GLY 34 H GLY 34 22.898 -17.714 0.952 239 1HA GLY 34 1HA GLY 34 23.388 -20.044 0.445 240 2HA GLY 34 2HA GLY 34 23.621 -20.305 2.167 241 H LYS 35 H LYS 35 21.200 -18.569 2.685 242 HA LYS 35 HA LYS 35 19.225 -20.696 2.247 243 1HB LYS 35 1HB LYS 35 19.688 -18.689 4.374 244 2HB LYS 35 2HB LYS 35 18.006 -19.033 3.992 245 1HG LYS 35 1HG LYS 35 18.440 -20.543 5.671 246 2HG LYS 35 2HG LYS 35 18.727 -21.514 4.226 247 1HD LYS 35 1HD LYS 35 20.541 -21.966 5.663 248 2HD LYS 35 2HD LYS 35 21.170 -20.853 4.446 249 1HE LYS 35 1HE LYS 35 21.969 -20.128 6.573 250 2HE LYS 35 2HE LYS 35 20.735 -18.984 6.048 251 1HZ LYS 35 1HZ LYS 35 19.512 -19.438 7.825 252 2HZ LYS 35 2HZ LYS 35 20.819 -20.314 8.444 253 3HZ LYS 35 3HZ LYS 35 19.607 -21.108 7.572 254 H GLN 36 H GLN 36 16.879 -19.731 2.204 255 HA GLN 36 HA GLN 36 16.856 -17.557 0.215 256 1HB GLN 36 1HB GLN 36 14.945 -18.602 -0.836 257 2HB GLN 36 2HB GLN 36 16.259 -19.767 -0.730 258 1HG GLN 36 1HG GLN 36 14.090 -19.656 1.333 259 2HG GLN 36 2HG GLN 36 13.900 -20.560 -0.169 260 1HE2 GLN 36 2HE2 GLN 36 15.309 -22.319 -0.577 261 2HE2 GLN 36 1HE2 GLN 36 16.095 -23.143 0.722 262 H SER 37 H SER 37 14.436 -16.710 0.044 263 HA SER 37 HA SER 37 13.179 -16.485 2.658 264 1HB SER 37 1HB SER 37 14.730 -14.673 2.827 265 2HB SER 37 2HB SER 37 14.378 -14.134 1.185 266 HG SER 37 HG SER 37 12.309 -13.544 1.875 267 H ASN 38 H ASN 38 11.017 -15.962 2.571 268 HA ASN 38 HA ASN 38 9.701 -16.417 0.085 269 1HB ASN 38 1HB ASN 38 8.782 -15.743 2.864 270 2HB ASN 38 2HB ASN 38 7.642 -15.725 1.522 271 1HD2 ASN 38 2HD2 ASN 38 7.500 -17.438 3.752 272 2HD2 ASN 38 1HD2 ASN 38 7.693 -19.060 3.191 273 H GLY 39 H GLY 39 9.313 -14.983 -1.461 274 1HA GLY 39 1HA GLY 39 9.950 -12.270 -1.312 275 2HA GLY 39 2HA GLY 39 8.925 -12.996 -2.541 276 H LEU 40 H LEU 40 8.058 -10.676 -2.197 277 HA LEU 40 HA LEU 40 6.065 -10.673 -0.034 278 1HB LEU 40 1HB LEU 40 7.674 -8.789 -0.103 279 2HB LEU 40 2HB LEU 40 7.049 -8.357 -1.694 280 HG LEU 40 HG LEU 40 4.891 -7.814 -0.732 281 1HD1 LEU 40 1HD1 LEU 40 5.919 -9.326 1.501 282 2HD1 LEU 40 2HD1 LEU 40 4.263 -8.849 1.129 283 3HD1 LEU 40 3HD1 LEU 40 5.320 -7.748 2.013 284 1HD2 LEU 40 1HD2 LEU 40 7.087 -6.300 -0.571 285 2HD2 LEU 40 2HD2 LEU 40 6.705 -6.422 1.146 286 3HD2 LEU 40 3HD2 LEU 40 5.513 -5.769 0.022 287 H HIS 41 H HIS 41 3.930 -9.831 -0.526 288 HA HIS 41 HA HIS 41 3.092 -9.592 -3.262 289 1HB HIS 41 1HB HIS 41 3.243 -12.167 -2.412 290 2HB HIS 41 2HB HIS 41 1.596 -11.766 -1.932 291 HD1 HIS 41 HD1 HIS 41 -0.101 -11.263 -3.830 292 HD2 HIS 41 HD2 HIS 41 3.674 -12.377 -5.159 293 HE1 HIS 41 HE1 HIS 41 -0.374 -11.779 -6.276 294 H GLY 42 H GLY 42 2.050 -7.713 -2.853 295 1HA GLY 42 1HA GLY 42 -0.337 -7.097 -2.348 296 2HA GLY 42 2HA GLY 42 -0.025 -7.758 -0.750 297 H ASP 43 H ASP 43 -0.889 -5.443 -0.384 298 HA ASP 43 HA ASP 43 1.141 -3.385 -0.666 299 1HB ASP 43 1HB ASP 43 -0.581 -1.918 0.400 300 2HB ASP 43 2HB ASP 43 -1.133 -2.704 -1.077 301 H TYR 44 H TYR 44 2.700 -3.164 0.783 302 HA TYR 44 HA TYR 44 2.090 -3.315 3.617 303 1HB TYR 44 1HB TYR 44 4.194 -5.088 2.359 304 2HB TYR 44 2HB TYR 44 3.942 -4.880 4.089 305 HD1 TYR 44 HD1 TYR 44 2.944 -6.662 1.138 306 HD2 TYR 44 HD2 TYR 44 1.724 -5.614 5.077 307 HE1 TYR 44 HE1 TYR 44 1.304 -8.496 1.112 308 HE2 TYR 44 HE2 TYR 44 0.082 -7.445 5.063 309 HH TYR 44 HH TYR 44 -1.003 -8.920 2.422 310 H ASP 45 H ASP 45 3.164 -1.793 4.701 311 HA ASP 45 HA ASP 45 4.784 0.094 3.411 312 1HB ASP 45 1HB ASP 45 4.767 -0.420 6.386 313 2HB ASP 45 2HB ASP 45 5.091 1.099 5.555 314 H VAL 46 H VAL 46 6.981 0.663 4.789 315 HA VAL 46 HA VAL 46 8.909 -1.114 3.798 316 HB VAL 46 HB VAL 46 9.504 1.181 4.187 317 1HG1 VAL 46 1HG1 VAL 46 9.236 0.715 7.148 318 2HG1 VAL 46 2HG1 VAL 46 9.532 2.239 6.309 319 3HG1 VAL 46 3HG1 VAL 46 7.964 1.442 6.166 320 1HG2 VAL 46 1HG2 VAL 46 11.232 -0.640 4.461 321 2HG2 VAL 46 2HG2 VAL 46 11.626 0.909 5.207 322 3HG2 VAL 46 3HG2 VAL 46 11.053 -0.429 6.203 323 H GLU 47 H GLU 47 7.685 -0.644 7.100 324 HA GLU 47 HA GLU 47 9.330 -2.692 8.222 325 1HB GLU 47 1HB GLU 47 6.882 -1.267 9.272 326 2HB GLU 47 2HB GLU 47 7.809 -2.430 10.209 327 1HG GLU 47 1HG GLU 47 9.673 -1.036 10.324 328 2HG GLU 47 2HG GLU 47 9.112 -0.026 8.993 329 H SER 48 H SER 48 5.839 -2.494 7.529 330 HA SER 48 HA SER 48 5.151 -5.083 8.260 331 1HB SER 48 1HB SER 48 3.770 -2.958 7.297 332 2HB SER 48 2HB SER 48 3.760 -4.007 5.879 333 HG SER 48 HG SER 48 3.113 -5.666 7.602 334 H GLY 49 H GLY 49 6.076 -3.870 5.039 335 1HA GLY 49 1HA GLY 49 5.929 -6.362 3.728 336 2HA GLY 49 2HA GLY 49 6.839 -4.965 3.171 337 H LEU 50 H LEU 50 8.677 -4.677 5.218 338 HA LEU 50 HA LEU 50 10.718 -6.379 4.476 339 1HB LEU 50 1HB LEU 50 11.505 -4.537 5.561 340 2HB LEU 50 2HB LEU 50 10.233 -4.576 6.780 341 HG LEU 50 HG LEU 50 11.384 -6.366 7.955 342 1HD1 LEU 50 1HD1 LEU 50 12.656 -6.773 5.490 343 2HD1 LEU 50 2HD1 LEU 50 12.902 -7.662 6.993 344 3HD1 LEU 50 3HD1 LEU 50 13.917 -6.271 6.617 345 1HD2 LEU 50 1HD2 LEU 50 12.455 -3.718 7.522 346 2HD2 LEU 50 2HD2 LEU 50 13.724 -4.860 7.966 347 3HD2 LEU 50 3HD2 LEU 50 12.321 -4.649 9.014 348 H GLN 51 H GLN 51 8.754 -6.576 7.446 349 HA GLN 51 HA GLN 51 9.870 -8.995 8.358 350 1HB GLN 51 1HB GLN 51 7.111 -7.898 8.926 351 2HB GLN 51 2HB GLN 51 7.973 -9.097 9.882 352 1HG GLN 51 1HG GLN 51 9.456 -6.613 9.500 353 2HG GLN 51 2HG GLN 51 7.931 -6.412 10.359 354 1HE2 GLN 51 2HE2 GLN 51 10.903 -8.316 10.318 355 2HE2 GLN 51 1HE2 GLN 51 10.967 -8.582 12.024 356 H GLN 52 H GLN 52 7.443 -8.295 5.993 357 HA GLN 52 HA GLN 52 6.218 -10.874 5.981 358 1HB GLN 52 1HB GLN 52 5.882 -8.365 4.612 359 2HB GLN 52 2HB GLN 52 5.872 -9.685 3.450 360 1HG GLN 52 1HG GLN 52 4.063 -9.307 5.819 361 2HG GLN 52 2HG GLN 52 3.630 -9.287 4.110 362 1HE2 GLN 52 2HE2 GLN 52 4.371 -11.391 2.960 363 2HE2 GLN 52 1HE2 GLN 52 3.936 -12.853 3.771 364 H LEU 53 H LEU 53 9.010 -9.468 4.469 365 HA LEU 53 HA LEU 53 9.303 -11.448 2.429 366 1HB LEU 53 1HB LEU 53 10.859 -9.164 3.459 367 2HB LEU 53 2HB LEU 53 11.794 -10.452 2.702 368 HG LEU 53 HG LEU 53 11.450 -9.058 0.918 369 1HD1 LEU 53 1HD1 LEU 53 10.413 -11.369 0.591 370 2HD1 LEU 53 2HD1 LEU 53 9.978 -10.109 -0.563 371 3HD1 LEU 53 3HD1 LEU 53 8.856 -10.552 0.723 372 1HD2 LEU 53 1HD2 LEU 53 10.141 -7.376 2.006 373 2HD2 LEU 53 2HD2 LEU 53 8.736 -8.440 2.073 374 3HD2 LEU 53 3HD2 LEU 53 9.315 -7.839 0.518 375 H LEU 54 H LEU 54 11.042 -10.834 5.481 376 HA LEU 54 HA LEU 54 12.394 -13.377 5.331 377 1HB LEU 54 1HB LEU 54 13.764 -12.556 6.900 378 2HB LEU 54 2HB LEU 54 13.017 -11.015 6.484 379 HG LEU 54 HG LEU 54 12.408 -12.777 8.850 380 1HD1 LEU 54 1HD1 LEU 54 13.324 -9.911 8.702 381 2HD1 LEU 54 2HD1 LEU 54 14.392 -11.288 8.966 382 3HD1 LEU 54 3HD1 LEU 54 13.144 -10.902 10.149 383 1HD2 LEU 54 1HD2 LEU 54 10.311 -12.025 8.715 384 2HD2 LEU 54 2HD2 LEU 54 10.721 -10.854 7.461 385 3HD2 LEU 54 3HD2 LEU 54 10.969 -10.451 9.161 386 H ASP 55 H ASP 55 9.328 -12.530 6.132 387 HA ASP 55 HA ASP 55 8.652 -13.684 8.511 388 1HB ASP 55 1HB ASP 55 6.481 -13.688 7.766 389 2HB ASP 55 2HB ASP 55 7.201 -12.635 6.551 390 H GLY 56 H GLY 56 8.533 -15.684 9.360 391 1HA GLY 56 1HA GLY 56 8.010 -18.081 8.841 392 2HA GLY 56 2HA GLY 56 9.214 -17.935 7.569 393 H SER 57 H SER 57 10.644 -16.122 9.697 394 HA SER 57 HA SER 57 11.990 -18.382 11.019 395 1HB SER 57 1HB SER 57 13.856 -16.540 11.257 396 2HB SER 57 2HB SER 57 13.653 -17.406 9.734 397 HG SER 57 HG SER 57 13.069 -14.759 10.376 398 H GLY 58 H GLY 58 11.509 -14.885 11.574 399 1HA GLY 58 1HA GLY 58 10.306 -14.061 13.488 400 2HA GLY 58 2HA GLY 58 10.753 -15.527 14.348 401 H LEU 59 H LEU 59 11.807 -12.375 13.295 402 HA LEU 59 HA LEU 59 13.928 -12.468 15.309 403 1HB LEU 59 1HB LEU 59 14.255 -11.808 12.405 404 2HB LEU 59 2HB LEU 59 15.329 -11.111 13.616 405 HG LEU 59 HG LEU 59 15.423 -13.801 14.190 406 1HD1 LEU 59 1HD1 LEU 59 14.175 -13.914 11.865 407 2HD1 LEU 59 2HD1 LEU 59 15.418 -15.083 12.306 408 3HD1 LEU 59 3HD1 LEU 59 15.816 -13.731 11.247 409 1HD2 LEU 59 1HD2 LEU 59 17.472 -12.871 14.257 410 2HD2 LEU 59 2HD2 LEU 59 17.144 -11.792 12.901 411 3HD2 LEU 59 3HD2 LEU 59 17.587 -13.474 12.603 412 H GLN 60 H GLN 60 14.901 -10.166 15.541 413 HA GLN 60 HA GLN 60 12.647 -8.276 15.581 414 1HB GLN 60 1HB GLN 60 13.545 -7.298 17.521 415 2HB GLN 60 2HB GLN 60 13.745 -9.028 17.764 416 1HG GLN 60 1HG GLN 60 16.094 -8.318 16.545 417 2HG GLN 60 2HG GLN 60 15.740 -6.921 17.560 418 1HE2 GLN 60 2HE2 GLN 60 16.419 -10.335 17.511 419 2HE2 GLN 60 1HE2 GLN 60 16.801 -10.487 19.189 420 H VAL 61 H VAL 61 12.924 -6.163 14.889 421 HA VAL 61 HA VAL 61 15.468 -5.552 13.539 422 HB VAL 61 HB VAL 61 12.825 -4.671 12.411 423 1HG1 VAL 61 1HG1 VAL 61 15.058 -5.194 10.616 424 2HG1 VAL 61 2HG1 VAL 61 14.039 -3.762 10.769 425 3HG1 VAL 61 3HG1 VAL 61 15.424 -3.978 11.839 426 1HG2 VAL 61 1HG2 VAL 61 14.006 -7.344 12.348 427 2HG2 VAL 61 2HG2 VAL 61 12.366 -6.819 11.965 428 3HG2 VAL 61 3HG2 VAL 61 13.640 -6.687 10.752 429 H LYS 62 H LYS 62 16.343 -3.730 14.247 430 HA LYS 62 HA LYS 62 14.589 -1.549 15.134 431 1HB LYS 62 1HB LYS 62 16.345 -1.120 16.958 432 2HB LYS 62 2HB LYS 62 15.214 -2.443 17.208 433 1HG LYS 62 1HG LYS 62 17.712 -3.183 15.854 434 2HG LYS 62 2HG LYS 62 17.890 -2.635 17.522 435 1HD LYS 62 1HD LYS 62 15.740 -4.597 16.915 436 2HD LYS 62 2HD LYS 62 17.409 -5.172 16.927 437 1HE LYS 62 1HE LYS 62 16.925 -5.477 19.126 438 2HE LYS 62 2HE LYS 62 17.449 -3.796 19.202 439 1HZ LYS 62 1HZ LYS 62 14.931 -4.887 19.841 440 2HZ LYS 62 2HZ LYS 62 14.743 -3.777 18.579 441 3HZ LYS 62 3HZ LYS 62 15.472 -3.295 20.027 442 HA PRO 63 HA PRO 63 17.185 0.915 12.568 443 1HB PRO 63 1HB PRO 63 16.633 3.353 13.627 444 2HB PRO 63 2HB PRO 63 15.493 2.468 12.607 445 1HG PRO 63 1HG PRO 63 15.588 2.690 15.591 446 2HG PRO 63 2HG PRO 63 14.187 2.772 14.507 447 1HD PRO 63 1HD PRO 63 14.825 0.537 15.897 448 2HD PRO 63 2HD PRO 63 14.056 0.480 14.298 449 H LEU 64 H LEU 64 19.039 2.329 12.642 450 HA LEU 64 HA LEU 64 20.441 2.311 15.232 451 1HB LEU 64 1HB LEU 64 21.943 2.149 12.661 452 2HB LEU 64 2HB LEU 64 22.421 1.621 14.274 453 HG LEU 64 HG LEU 64 20.364 0.228 12.563 454 1HD1 LEU 64 1HD1 LEU 64 22.569 0.112 11.529 455 2HD1 LEU 64 2HD1 LEU 64 22.085 -1.456 12.174 456 3HD1 LEU 64 3HD1 LEU 64 23.258 -0.469 13.046 457 1HD2 LEU 64 1HD2 LEU 64 19.830 -0.613 14.578 458 2HD2 LEU 64 2HD2 LEU 64 21.350 -0.101 15.312 459 3HD2 LEU 64 3HD2 LEU 64 21.287 -1.582 14.355 460 H GLY 65 H GLY 65 20.788 3.730 11.970 461 1HA GLY 65 1HA GLY 65 21.020 6.371 13.259 462 2HA GLY 65 2HA GLY 65 22.204 5.861 12.065 463 H ASN 66 H ASN 66 21.856 6.478 10.041 464 HA ASN 66 HA ASN 66 19.545 7.955 9.323 465 1HB ASN 66 1HB ASN 66 21.757 8.371 8.320 466 2HB ASN 66 2HB ASN 66 21.701 6.790 7.546 467 1HD2 ASN 66 2HD2 ASN 66 19.190 9.250 7.933 468 2HD2 ASN 66 1HD2 ASN 66 18.908 9.477 6.243 469 H ASN 67 H ASN 67 17.778 6.565 9.692 470 HA ASN 67 HA ASN 67 16.278 4.890 9.260 471 1HB ASN 67 1HB ASN 67 16.382 6.540 7.176 472 2HB ASN 67 2HB ASN 67 16.941 5.084 6.358 473 1HD2 ASN 67 2HD2 ASN 67 14.454 6.649 6.098 474 2HD2 ASN 67 1HD2 ASN 67 13.172 5.516 6.341 475 H SER 68 H SER 68 18.986 3.977 9.759 476 HA SER 68 HA SER 68 19.272 1.679 7.975 477 1HB SER 68 1HB SER 68 21.293 1.465 9.830 478 2HB SER 68 2HB SER 68 21.431 2.270 8.268 479 HG SER 68 HG SER 68 21.833 3.988 9.398 480 H TRP 69 H TRP 69 18.217 -0.113 8.476 481 HA TRP 69 HA TRP 69 17.669 -0.697 11.306 482 1HB TRP 69 1HB TRP 69 16.316 -1.739 8.808 483 2HB TRP 69 2HB TRP 69 15.899 -2.207 10.454 484 HD1 TRP 69 HD1 TRP 69 16.255 1.203 8.605 485 HE1 TRP 69 HE1 TRP 69 14.247 2.668 9.274 486 HE3 TRP 69 HE3 TRP 69 13.901 -2.046 11.773 487 HZ2 TRP 69 HZ2 TRP 69 11.967 2.472 10.927 488 HZ3 TRP 69 HZ3 TRP 69 11.812 -1.330 12.858 489 HH2 TRP 69 HH2 TRP 69 10.867 0.883 12.443 490 H THR 70 H THR 70 18.019 -2.790 12.129 491 HA THR 70 HA THR 70 19.667 -4.572 10.472 492 HB THR 70 HB THR 70 21.133 -3.198 11.967 493 HG1 THR 70 HG1 THR 70 22.387 -4.907 12.064 494 1HG2 THR 70 1HG2 THR 70 19.623 -2.987 13.874 495 2HG2 THR 70 2HG2 THR 70 21.148 -3.722 14.367 496 3HG2 THR 70 3HG2 THR 70 19.714 -4.725 14.153 497 H LEU 71 H LEU 71 19.640 -6.782 11.098 498 HA LEU 71 HA LEU 71 17.233 -7.504 12.612 499 1HB LEU 71 1HB LEU 71 18.649 -8.622 10.301 500 2HB LEU 71 2HB LEU 71 18.112 -9.822 11.475 501 HG LEU 71 HG LEU 71 16.515 -9.488 9.625 502 1HD1 LEU 71 1HD1 LEU 71 15.763 -8.906 12.455 503 2HD1 LEU 71 2HD1 LEU 71 15.470 -10.351 11.489 504 3HD1 LEU 71 3HD1 LEU 71 14.530 -8.889 11.194 505 1HD2 LEU 71 1HD2 LEU 71 16.381 -6.692 10.737 506 2HD2 LEU 71 2HD2 LEU 71 15.164 -7.379 9.661 507 3HD2 LEU 71 3HD2 LEU 71 16.827 -7.183 9.103 508 H GLU 72 H GLU 72 17.282 -8.977 14.291 509 HA GLU 72 HA GLU 72 19.886 -10.004 15.144 510 1HB GLU 72 1HB GLU 72 18.309 -7.941 16.505 511 2HB GLU 72 2HB GLU 72 18.750 -9.290 17.543 512 1HG GLU 72 1HG GLU 72 20.604 -8.075 17.876 513 2HG GLU 72 2HG GLU 72 21.118 -8.830 16.368 514 HA PRO 73 HA PRO 73 17.697 -13.665 16.168 515 1HB PRO 73 1HB PRO 73 19.092 -14.562 18.317 516 2HB PRO 73 2HB PRO 73 19.730 -14.610 16.670 517 1HG PRO 73 1HG PRO 73 20.261 -12.628 18.849 518 2HG PRO 73 2HG PRO 73 21.401 -13.376 17.716 519 1HD PRO 73 1HD PRO 73 20.440 -10.868 17.373 520 2HD PRO 73 2HD PRO 73 20.849 -11.929 16.009 521 H ALA 74 H ALA 74 15.737 -13.782 17.047 522 HA ALA 74 HA ALA 74 15.330 -12.663 19.745 523 1HB ALA 74 1HB ALA 74 13.536 -11.573 19.017 524 2HB ALA 74 2HB ALA 74 14.014 -12.014 17.377 525 3HB ALA 74 3HB ALA 74 12.879 -13.029 18.268 526 HA PRO 75 HA PRO 75 14.023 -16.568 21.258 527 1HB PRO 75 1HB PRO 75 11.956 -15.901 22.888 528 2HB PRO 75 2HB PRO 75 13.643 -15.549 23.282 529 1HG PRO 75 1HG PRO 75 11.551 -13.744 22.130 530 2HG PRO 75 2HG PRO 75 12.745 -13.408 23.398 531 1HD PRO 75 1HD PRO 75 13.077 -12.603 20.834 532 2HD PRO 75 2HD PRO 75 14.441 -13.045 21.880 533 H ALA 76 H ALA 76 12.191 -18.090 21.412 534 HA ALA 76 HA ALA 76 10.589 -17.978 19.023 535 1HB ALA 76 1HB ALA 76 10.975 -20.161 19.221 536 2HB ALA 76 2HB ALA 76 11.424 -20.006 20.920 537 3HB ALA 76 3HB ALA 76 9.727 -20.171 20.468 538 HA PRO 77 HA PRO 77 6.777 -16.520 20.635 539 1HB PRO 77 1HB PRO 77 4.966 -18.098 19.371 540 2HB PRO 77 2HB PRO 77 5.881 -16.833 18.543 541 1HG PRO 77 1HG PRO 77 6.378 -19.784 18.628 542 2HG PRO 77 2HG PRO 77 6.470 -18.673 17.249 543 1HD PRO 77 1HD PRO 77 8.667 -19.523 18.584 544 2HD PRO 77 2HD PRO 77 8.566 -17.915 17.838 545 H LYS 78 H LYS 78 4.791 -17.135 21.816 546 HA LYS 78 HA LYS 78 5.309 -18.722 24.031 547 1HB LYS 78 1HB LYS 78 3.486 -16.942 23.683 548 2HB LYS 78 2HB LYS 78 2.523 -18.243 22.994 549 1HG LYS 78 1HG LYS 78 2.180 -19.241 24.999 550 2HG LYS 78 2HG LYS 78 3.742 -18.733 25.645 551 1HD LYS 78 1HD LYS 78 2.538 -17.259 26.835 552 2HD LYS 78 2HD LYS 78 2.469 -16.342 25.328 553 1HE LYS 78 1HE LYS 78 0.363 -17.568 24.775 554 2HE LYS 78 2HE LYS 78 0.413 -18.274 26.390 555 1HZ LYS 78 1HZ LYS 78 -0.938 -16.108 25.920 556 2HZ LYS 78 2HZ LYS 78 0.564 -15.357 26.125 557 3HZ LYS 78 3HZ LYS 78 -0.092 -16.292 27.373 558 H GLU 79 H GLU 79 2.850 -19.519 21.572 559 HA GLU 79 HA GLU 79 3.704 -22.324 21.719 560 1HB GLU 79 1HB GLU 79 0.852 -21.343 21.922 561 2HB GLU 79 2HB GLU 79 1.321 -23.026 21.728 562 1HG GLU 79 1HG GLU 79 2.695 -22.661 23.875 563 2HG GLU 79 2HG GLU 79 1.687 -21.231 24.089 564 H ASP 80 H ASP 80 4.553 -20.833 19.694 565 HA ASP 80 HA ASP 80 4.618 -20.638 17.428 566 1HB ASP 80 1HB ASP 80 2.921 -23.107 17.746 567 2HB ASP 80 2HB ASP 80 3.361 -22.482 16.159 568 H ALA 81 H ALA 81 2.784 -18.976 18.754 569 HA ALA 81 HA ALA 81 0.452 -18.912 16.972 570 1HB ALA 81 1HB ALA 81 -0.729 -17.896 18.620 571 2HB ALA 81 2HB ALA 81 0.467 -18.709 19.632 572 3HB ALA 81 3HB ALA 81 0.668 -17.005 19.225 573 H LEU 82 H LEU 82 3.265 -17.070 17.973 574 HA LEU 82 HA LEU 82 4.243 -15.181 17.167 575 1HB LEU 82 1HB LEU 82 2.777 -16.029 14.674 576 2HB LEU 82 2HB LEU 82 4.034 -14.795 14.731 577 HG LEU 82 HG LEU 82 4.692 -17.525 15.721 578 1HD1 LEU 82 1HD1 LEU 82 5.239 -17.207 12.891 579 2HD1 LEU 82 2HD1 LEU 82 3.511 -17.238 13.240 580 3HD1 LEU 82 3HD1 LEU 82 4.540 -18.571 13.764 581 1HD2 LEU 82 1HD2 LEU 82 6.110 -15.212 14.460 582 2HD2 LEU 82 2HD2 LEU 82 6.822 -16.825 14.422 583 3HD2 LEU 82 3HD2 LEU 82 6.464 -16.055 15.968 584 H THR 83 H THR 83 2.539 -14.227 18.714 585 HA THR 83 HA THR 83 0.321 -12.841 17.571 586 HB THR 83 HB THR 83 0.352 -13.514 19.943 587 HG1 THR 83 HG1 THR 83 -0.464 -11.501 20.723 588 1HG2 THR 83 1HG2 THR 83 2.858 -12.094 19.909 589 2HG2 THR 83 2HG2 THR 83 2.190 -13.152 21.153 590 3HG2 THR 83 3HG2 THR 83 1.793 -11.434 21.149 591 H VAL 84 H VAL 84 0.075 -10.442 17.784 592 HA VAL 84 HA VAL 84 2.598 -9.020 17.265 593 HB VAL 84 HB VAL 84 1.445 -7.674 15.531 594 1HG1 VAL 84 1HG1 VAL 84 1.308 -9.586 13.826 595 2HG1 VAL 84 2HG1 VAL 84 2.840 -9.335 14.664 596 3HG1 VAL 84 3HG1 VAL 84 1.760 -10.635 15.169 597 1HG2 VAL 84 1HG2 VAL 84 -0.742 -9.727 15.855 598 2HG2 VAL 84 2HG2 VAL 84 -0.854 -8.009 16.239 599 3HG2 VAL 84 3HG2 VAL 84 -0.652 -8.528 14.565 600 H VAL 85 H VAL 85 2.282 -6.599 17.368 601 HA VAL 85 HA VAL 85 0.122 -5.774 19.157 602 HB VAL 85 HB VAL 85 1.800 -4.512 20.565 603 1HG1 VAL 85 1HG1 VAL 85 1.990 -7.520 20.673 604 2HG1 VAL 85 2HG1 VAL 85 2.254 -6.395 22.007 605 3HG1 VAL 85 3HG1 VAL 85 0.645 -6.569 21.304 606 1HG2 VAL 85 1HG2 VAL 85 3.715 -6.382 19.176 607 2HG2 VAL 85 2HG2 VAL 85 3.715 -4.620 19.097 608 3HG2 VAL 85 3HG2 VAL 85 4.095 -5.434 20.614 609 H GLY 86 H GLY 86 -0.523 -3.681 18.888 610 1HA GLY 86 1HA GLY 86 0.950 -1.549 17.911 611 2HA GLY 86 2HA GLY 86 0.268 -2.349 16.503 612 H ASP 87 H ASP 87 -2.105 -2.664 16.503 613 HA ASP 87 HA ASP 87 -3.411 -0.330 17.725 614 1HB ASP 87 1HB ASP 87 -5.162 -0.711 15.950 615 2HB ASP 87 2HB ASP 87 -3.573 -0.254 15.341 616 H TRP 88 H TRP 88 -5.740 -0.627 18.282 617 HA TRP 88 HA TRP 88 -6.201 -3.313 19.408 618 1HB TRP 88 1HB TRP 88 -5.696 -1.408 21.048 619 2HB TRP 88 2HB TRP 88 -7.275 -0.764 20.607 620 HD1 TRP 88 HD1 TRP 88 -9.290 -1.677 21.922 621 HE1 TRP 88 HE1 TRP 88 -9.661 -3.595 23.599 622 HE3 TRP 88 HE3 TRP 88 -4.729 -3.958 21.567 623 HZ2 TRP 88 HZ2 TRP 88 -8.211 -5.784 24.634 624 HZ3 TRP 88 HZ3 TRP 88 -4.301 -5.958 22.934 625 HH2 TRP 88 HH2 TRP 88 -6.007 -6.851 24.436 626 H LEU 89 H LEU 89 -7.041 -2.470 16.818 627 HA LEU 89 HA LEU 89 -8.868 -2.411 15.462 628 1HB LEU 89 1HB LEU 89 -9.195 -4.469 17.174 629 2HB LEU 89 2HB LEU 89 -10.652 -3.540 17.523 630 HG LEU 89 HG LEU 89 -11.212 -5.201 15.912 631 1HD1 LEU 89 1HD1 LEU 89 -10.884 -2.538 14.539 632 2HD1 LEU 89 2HD1 LEU 89 -12.236 -3.023 15.562 633 3HD1 LEU 89 3HD1 LEU 89 -11.957 -3.839 14.023 634 1HD2 LEU 89 1HD2 LEU 89 -9.390 -4.243 13.807 635 2HD2 LEU 89 2HD2 LEU 89 -9.926 -5.879 14.190 636 3HD2 LEU 89 3HD2 LEU 89 -8.633 -5.132 15.129 637 H GLY 90 H GLY 90 -8.425 -0.040 16.847 638 1HA GLY 90 1HA GLY 90 -11.059 0.847 17.774 639 2HA GLY 90 2HA GLY 90 -9.552 1.735 17.941 640 H ASP 91 H ASP 91 -8.544 2.326 15.726 641 HA ASP 91 HA ASP 91 -10.698 3.491 14.098 642 1HB ASP 91 1HB ASP 91 -9.233 5.271 13.540 643 2HB ASP 91 2HB ASP 91 -9.027 5.010 15.269 644 H ALA 92 H ALA 92 -9.691 0.765 13.808 645 HA ALA 92 HA ALA 92 -7.992 0.683 11.503 646 1HB ALA 92 1HB ALA 92 -9.497 -1.737 11.869 647 2HB ALA 92 2HB ALA 92 -7.769 -1.449 12.080 648 3HB ALA 92 3HB ALA 92 -8.881 -1.156 13.417 649 H ARG 93 H ARG 93 -8.520 0.511 9.387 650 HA ARG 93 HA ARG 93 -11.345 0.206 8.661 651 1HB ARG 93 1HB ARG 93 -9.512 2.387 7.650 652 2HB ARG 93 2HB ARG 93 -11.100 2.027 6.986 653 1HG ARG 93 1HG ARG 93 -12.057 2.497 9.249 654 2HG ARG 93 2HG ARG 93 -10.457 3.060 9.735 655 1HD ARG 93 1HD ARG 93 -11.990 4.164 7.388 656 2HD ARG 93 2HD ARG 93 -12.033 4.864 9.006 657 HE ARG 93 HE ARG 93 -9.374 4.708 8.372 658 1HH1 ARG 93 2HH1 ARG 93 -12.188 6.187 6.953 659 2HH1 ARG 93 1HH1 ARG 93 -11.302 7.496 6.242 660 1HH2 ARG 93 2HH2 ARG 93 -8.197 6.426 7.441 661 2HH2 ARG 93 1HH2 ARG 93 -9.032 7.630 6.520 662 H GLU 94 H GLU 94 -11.718 -0.841 6.738 663 HA GLU 94 HA GLU 94 -9.357 -1.681 5.197 664 1HB GLU 94 1HB GLU 94 -10.591 -3.897 4.887 665 2HB GLU 94 2HB GLU 94 -9.842 -3.608 6.451 666 1HG GLU 94 1HG GLU 94 -12.000 -2.972 7.381 667 2HG GLU 94 2HG GLU 94 -12.759 -3.230 5.811 668 H ASN 95 H ASN 95 -9.670 -2.007 2.987 669 HA ASN 95 HA ASN 95 -12.275 -1.694 1.801 670 1HB ASN 95 1HB ASN 95 -11.471 0.663 2.338 671 2HB ASN 95 2HB ASN 95 -10.210 0.404 1.136 672 1HD2 ASN 95 2HD2 ASN 95 -10.771 1.657 -0.510 673 2HD2 ASN 95 1HD2 ASN 95 -12.305 1.637 -1.306 674 H ASP 96 H ASP 96 -12.351 -2.386 -0.321 675 HA ASP 96 HA ASP 96 -9.811 -3.182 -1.563 676 1HB ASP 96 1HB ASP 96 -10.916 -5.128 -0.401 677 2HB ASP 96 2HB ASP 96 -12.262 -4.947 -1.523 678 H LEU 97 H LEU 97 -9.726 -3.009 -3.767 679 HA LEU 97 HA LEU 97 -11.943 -1.566 -5.006 680 1HB LEU 97 1HB LEU 97 -9.038 -1.866 -5.560 681 2HB LEU 97 2HB LEU 97 -10.108 -1.508 -6.913 682 HG LEU 97 HG LEU 97 -9.093 0.521 -6.039 683 1HD1 LEU 97 1HD1 LEU 97 -10.989 1.812 -6.111 684 2HD1 LEU 97 2HD1 LEU 97 -11.928 0.685 -5.132 685 3HD1 LEU 97 3HD1 LEU 97 -11.579 0.309 -6.819 686 1HD2 LEU 97 1HD2 LEU 97 -10.549 -0.016 -3.458 687 2HD2 LEU 97 2HD2 LEU 97 -9.427 1.298 -3.817 688 3HD2 LEU 97 3HD2 LEU 97 -8.836 -0.361 -3.702 689 H GLU 98 H GLU 98 -13.431 -2.744 -6.005 690 HA GLU 98 HA GLU 98 -12.714 -5.329 -7.154 691 1HB GLU 98 1HB GLU 98 -14.755 -4.975 -5.676 692 2HB GLU 98 2HB GLU 98 -15.463 -4.097 -7.024 693 1HG GLU 98 1HG GLU 98 -15.153 -6.138 -8.421 694 2HG GLU 98 2HG GLU 98 -14.651 -6.991 -6.962 695 H HIS 99 H HIS 99 -11.528 -4.586 -8.961 696 HA HIS 99 HA HIS 99 -13.091 -3.172 -11.010 697 1HB HIS 99 1HB HIS 99 -10.848 -2.826 -12.108 698 2HB HIS 99 2HB HIS 99 -11.043 -2.027 -10.550 699 HD1 HIS 99 HD1 HIS 99 -9.511 -2.757 -8.653 700 HD2 HIS 99 HD2 HIS 99 -9.056 -5.028 -12.102 701 HE1 HIS 99 HE1 HIS 99 -7.439 -4.133 -8.283 702 H HIS 100 H HIS 100 -12.722 -3.867 -13.277 703 HA HIS 100 HA HIS 100 -12.094 -6.720 -13.540 704 1HB HIS 100 1HB HIS 100 -14.678 -5.367 -14.210 705 2HB HIS 100 2HB HIS 100 -14.133 -6.715 -15.205 706 HD1 HIS 100 HD1 HIS 100 -16.425 -6.253 -12.707 707 HD2 HIS 100 HD2 HIS 100 -13.213 -8.865 -13.051 708 HE1 HIS 100 HE1 HIS 100 -16.926 -8.146 -11.129 709 H HIS 101 H HIS 101 -12.297 -7.269 -16.044 710 HA HIS 101 HA HIS 101 -11.601 -5.167 -17.848 711 1HB HIS 101 1HB HIS 101 -9.301 -6.034 -18.346 712 2HB HIS 101 2HB HIS 101 -9.456 -5.260 -16.771 713 HD1 HIS 101 HD1 HIS 101 -9.069 -6.703 -14.705 714 HD2 HIS 101 HD2 HIS 101 -8.921 -8.842 -18.264 715 HE1 HIS 101 HE1 HIS 101 -8.149 -8.962 -14.094 716 H HIS 102 H HIS 102 -10.928 -6.084 -20.016 717 HA HIS 102 HA HIS 102 -12.260 -8.679 -20.438 718 1HB HIS 102 1HB HIS 102 -13.292 -6.472 -21.381 719 2HB HIS 102 2HB HIS 102 -12.025 -6.608 -22.596 720 HD1 HIS 102 HD1 HIS 102 -13.939 -9.545 -21.199 721 HD2 HIS 102 HD2 HIS 102 -13.633 -7.337 -24.705 722 HE1 HIS 102 HE1 HIS 102 -15.281 -10.809 -22.908 723 H HIS 103 H HIS 103 -11.313 -10.167 -21.797 724 HA HIS 103 HA HIS 103 -8.731 -9.469 -22.999 725 1HB HIS 103 1HB HIS 103 -7.805 -11.652 -22.178 726 2HB HIS 103 2HB HIS 103 -8.110 -10.472 -20.907 727 HD1 HIS 103 HD1 HIS 103 -10.390 -10.883 -19.515 728 HD2 HIS 103 HD2 HIS 103 -9.014 -14.064 -21.805 729 HE1 HIS 103 HE1 HIS 103 -11.574 -12.915 -18.623 730 H HIS 104 H HIS 104 -7.943 -11.327 -24.429 731 HA HIS 104 HA HIS 104 -9.952 -11.880 -26.348 732 1HB HIS 104 1HB HIS 104 -7.635 -11.588 -27.021 733 2HB HIS 104 2HB HIS 104 -7.149 -12.981 -26.060 734 HD1 HIS 104 HD1 HIS 104 -6.606 -14.840 -27.583 735 HD2 HIS 104 HD2 HIS 104 -9.887 -12.670 -28.920 736 HE1 HIS 104 HE1 HIS 104 -7.380 -16.009 -29.671 Start of MODEL 5 1 1H ALA 1 H ALA 1 -0.123 0.279 -1.451 2 HA ALA 1 HA ALA 1 2.656 0.772 -2.252 3 1HB ALA 1 1HB ALA 1 1.697 1.126 0.151 4 2HB ALA 1 2HB ALA 1 1.921 -0.618 0.283 5 3HB ALA 1 3HB ALA 1 3.299 0.423 -0.071 6 H GLN 2 H GLN 2 0.840 -1.121 -3.613 7 HA GLN 2 HA GLN 2 1.237 -3.771 -2.955 8 1HB GLN 2 1HB GLN 2 -0.282 -3.173 -4.716 9 2HB GLN 2 2HB GLN 2 1.017 -2.471 -5.670 10 1HG GLN 2 1HG GLN 2 0.433 -4.582 -6.613 11 2HG GLN 2 2HG GLN 2 2.026 -4.722 -5.869 12 1HE2 GLN 2 2HE2 GLN 2 1.982 -6.890 -5.514 13 2HE2 GLN 2 1HE2 GLN 2 0.899 -7.659 -4.410 14 H VAL 3 H VAL 3 2.998 -4.968 -2.733 15 HA VAL 3 HA VAL 3 5.333 -4.393 -4.426 16 HB VAL 3 HB VAL 3 5.483 -5.062 -1.484 17 1HG1 VAL 3 1HG1 VAL 3 7.622 -4.409 -3.507 18 2HG1 VAL 3 2HG1 VAL 3 7.888 -4.571 -1.770 19 3HG1 VAL 3 3HG1 VAL 3 7.357 -5.962 -2.715 20 1HG2 VAL 3 1HG2 VAL 3 5.143 -2.547 -2.838 21 2HG2 VAL 3 2HG2 VAL 3 5.185 -2.890 -1.108 22 3HG2 VAL 3 3HG2 VAL 3 6.686 -2.586 -1.984 23 H ASN 4 H ASN 4 5.756 -6.125 -5.613 24 HA ASN 4 HA ASN 4 5.282 -8.787 -4.439 25 1HB ASN 4 1HB ASN 4 3.748 -8.710 -6.183 26 2HB ASN 4 2HB ASN 4 4.798 -7.728 -7.200 27 1HD2 ASN 4 2HD2 ASN 4 5.941 -8.707 -8.723 28 2HD2 ASN 4 1HD2 ASN 4 6.158 -10.414 -8.872 29 H ILE 5 H ILE 5 7.068 -9.909 -4.075 30 HA ILE 5 HA ILE 5 9.387 -9.488 -5.841 31 HB ILE 5 HB ILE 5 9.517 -9.982 -2.864 32 1HG1 ILE 5 1HG1 ILE 5 10.408 -7.482 -4.281 33 2HG1 ILE 5 2HG1 ILE 5 8.747 -7.667 -3.729 34 1HG2 ILE 5 1HG2 ILE 5 11.453 -10.929 -3.674 35 2HG2 ILE 5 2HG2 ILE 5 11.566 -9.803 -5.025 36 3HG2 ILE 5 3HG2 ILE 5 11.971 -9.267 -3.395 37 1HD1 ILE 5 1HD1 ILE 5 11.233 -7.691 -2.040 38 2HD1 ILE 5 2HD1 ILE 5 9.976 -6.454 -2.084 39 3HD1 ILE 5 3HD1 ILE 5 9.615 -8.055 -1.440 40 H ALA 6 H ALA 6 10.427 -11.281 -6.544 41 HA ALA 6 HA ALA 6 9.161 -13.839 -5.999 42 1HB ALA 6 1HB ALA 6 11.133 -12.869 -8.033 43 2HB ALA 6 2HB ALA 6 10.872 -14.595 -7.778 44 3HB ALA 6 3HB ALA 6 9.530 -13.564 -8.275 45 HA PRO 7 HA PRO 7 12.197 -14.997 -2.988 46 1HB PRO 7 1HB PRO 7 11.519 -17.621 -2.828 47 2HB PRO 7 2HB PRO 7 10.558 -16.334 -2.090 48 1HG PRO 7 1HG PRO 7 10.128 -17.771 -4.681 49 2HG PRO 7 2HG PRO 7 8.943 -17.323 -3.441 50 1HD PRO 7 1HD PRO 7 9.277 -15.898 -5.719 51 2HD PRO 7 2HD PRO 7 8.803 -15.145 -4.183 52 H GLY 8 H GLY 8 13.429 -17.416 -2.828 53 1HA GLY 8 1HA GLY 8 14.743 -18.975 -4.086 54 2HA GLY 8 2HA GLY 8 14.698 -17.860 -5.445 55 H SER 9 H SER 9 15.219 -16.054 -2.733 56 HA SER 9 HA SER 9 17.897 -16.480 -2.081 57 1HB SER 9 1HB SER 9 17.560 -15.318 -4.673 58 2HB SER 9 2HB SER 9 18.270 -14.108 -3.605 59 HG SER 9 HG SER 9 19.237 -16.747 -4.007 60 H LEU 10 H LEU 10 18.118 -15.483 -0.198 61 HA LEU 10 HA LEU 10 16.242 -13.601 0.762 62 1HB LEU 10 1HB LEU 10 17.508 -15.171 2.186 63 2HB LEU 10 2HB LEU 10 18.977 -14.256 1.850 64 HG LEU 10 HG LEU 10 16.652 -12.847 3.078 65 1HD1 LEU 10 1HD1 LEU 10 16.976 -14.984 4.334 66 2HD1 LEU 10 2HD1 LEU 10 17.254 -13.523 5.281 67 3HD1 LEU 10 3HD1 LEU 10 18.624 -14.459 4.684 68 1HD2 LEU 10 1HD2 LEU 10 19.224 -12.142 2.358 69 2HD2 LEU 10 2HD2 LEU 10 19.329 -12.381 4.103 70 3HD2 LEU 10 3HD2 LEU 10 18.157 -11.243 3.437 71 H ASP 11 H ASP 11 19.567 -13.280 -0.412 72 HA ASP 11 HA ASP 11 19.928 -10.565 0.151 73 1HB ASP 11 1HB ASP 11 21.699 -10.623 -1.546 74 2HB ASP 11 2HB ASP 11 21.768 -12.047 -0.512 75 H LYS 12 H LYS 12 18.633 -12.158 -2.741 76 HA LYS 12 HA LYS 12 18.288 -9.873 -4.317 77 1HB LYS 12 1HB LYS 12 17.121 -12.610 -4.272 78 2HB LYS 12 2HB LYS 12 16.285 -11.390 -5.224 79 1HG LYS 12 1HG LYS 12 19.067 -11.231 -5.796 80 2HG LYS 12 2HG LYS 12 18.554 -12.915 -5.925 81 1HD LYS 12 1HD LYS 12 18.166 -12.071 -8.060 82 2HD LYS 12 2HD LYS 12 16.579 -11.977 -7.293 83 1HE LYS 12 1HE LYS 12 16.770 -9.651 -6.957 84 2HE LYS 12 2HE LYS 12 18.499 -9.665 -7.297 85 1HZ LYS 12 1HZ LYS 12 18.044 -9.250 -9.407 86 2HZ LYS 12 2HZ LYS 12 16.384 -9.260 -9.085 87 3HZ LYS 12 3HZ LYS 12 17.167 -10.692 -9.529 88 H ALA 13 H ALA 13 15.855 -11.574 -2.336 89 HA ALA 13 HA ALA 13 13.764 -9.782 -2.676 90 1HB ALA 13 1HB ALA 13 14.298 -11.284 -0.123 91 2HB ALA 13 2HB ALA 13 12.741 -10.782 -0.784 92 3HB ALA 13 3HB ALA 13 13.672 -12.048 -1.585 93 H LEU 14 H LEU 14 16.451 -9.698 -0.393 94 HA LEU 14 HA LEU 14 15.579 -7.653 1.278 95 1HB LEU 14 1HB LEU 14 17.475 -8.682 2.048 96 2HB LEU 14 2HB LEU 14 18.237 -8.703 0.459 97 HG LEU 14 HG LEU 14 18.709 -6.296 0.676 98 1HD1 LEU 14 1HD1 LEU 14 16.940 -5.577 2.106 99 2HD1 LEU 14 2HD1 LEU 14 18.464 -5.277 2.941 100 3HD1 LEU 14 3HD1 LEU 14 17.467 -6.659 3.396 101 1HD2 LEU 14 1HD2 LEU 14 20.254 -6.613 2.777 102 2HD2 LEU 14 2HD2 LEU 14 20.561 -7.501 1.284 103 3HD2 LEU 14 3HD2 LEU 14 19.740 -8.294 2.629 104 H ASN 15 H ASN 15 17.631 -7.388 -1.626 105 HA ASN 15 HA ASN 15 17.677 -4.558 -1.631 106 1HB ASN 15 1HB ASN 15 18.125 -6.457 -3.945 107 2HB ASN 15 2HB ASN 15 18.613 -4.766 -3.882 108 1HD2 ASN 15 2HD2 ASN 15 19.700 -7.822 -3.590 109 2HD2 ASN 15 1HD2 ASN 15 21.079 -7.557 -2.584 110 H GLN 16 H GLN 16 15.515 -6.933 -3.021 111 HA GLN 16 HA GLN 16 14.167 -5.306 -4.856 112 1HB GLN 16 1HB GLN 16 13.174 -7.669 -3.258 113 2HB GLN 16 2HB GLN 16 12.292 -6.937 -4.592 114 1HG GLN 16 1HG GLN 16 15.041 -7.665 -5.253 115 2HG GLN 16 2HG GLN 16 14.025 -9.030 -4.795 116 1HE2 GLN 16 2HE2 GLN 16 14.501 -9.585 -7.081 117 2HE2 GLN 16 1HE2 GLN 16 13.433 -8.974 -8.294 118 H TYR 17 H TYR 17 13.220 -6.154 -1.523 119 HA TYR 17 HA TYR 17 11.079 -4.270 -1.472 120 1HB TYR 17 1HB TYR 17 10.563 -5.157 0.567 121 2HB TYR 17 2HB TYR 17 11.602 -6.453 -0.013 122 HD1 TYR 17 HD1 TYR 17 13.807 -6.799 0.930 123 HD2 TYR 17 HD2 TYR 17 11.334 -3.617 2.293 124 HE1 TYR 17 HE1 TYR 17 15.272 -6.506 2.884 125 HE2 TYR 17 HE2 TYR 17 12.792 -3.314 4.250 126 HH TYR 17 HH TYR 17 15.096 -5.577 5.193 127 H ALA 18 H ALA 18 14.426 -4.258 -0.392 128 HA ALA 18 HA ALA 18 14.367 -1.921 1.156 129 1HB ALA 18 1HB ALA 18 16.620 -3.137 -0.436 130 2HB ALA 18 2HB ALA 18 16.811 -1.830 0.733 131 3HB ALA 18 3HB ALA 18 16.247 -3.414 1.266 132 H ALA 19 H ALA 19 14.871 -2.409 -2.310 133 HA ALA 19 HA ALA 19 15.420 0.346 -2.853 134 1HB ALA 19 1HB ALA 19 16.205 -1.569 -4.257 135 2HB ALA 19 2HB ALA 19 14.544 -1.760 -4.820 136 3HB ALA 19 3HB ALA 19 15.424 -0.269 -5.157 137 H HIS 20 H HIS 20 12.563 -1.575 -2.539 138 HA HIS 20 HA HIS 20 10.835 0.178 -4.010 139 1HB HIS 20 1HB HIS 20 10.425 -2.182 -2.206 140 2HB HIS 20 2HB HIS 20 9.052 -1.175 -2.654 141 HD1 HIS 20 HD1 HIS 20 9.766 -0.666 -5.616 142 HD2 HIS 20 HD2 HIS 20 9.961 -4.376 -3.756 143 HE1 HIS 20 HE1 HIS 20 9.580 -2.357 -7.468 144 H SER 21 H SER 21 12.018 -0.001 -0.759 145 HA SER 21 HA SER 21 10.017 1.866 0.237 146 1HB SER 21 1HB SER 21 10.656 0.055 1.724 147 2HB SER 21 2HB SER 21 12.354 0.513 1.605 148 HG SER 21 HG SER 21 12.020 2.167 2.914 149 H GLY 22 H GLY 22 13.583 1.757 0.414 150 1HA GLY 22 1HA GLY 22 14.801 3.627 -0.675 151 2HA GLY 22 2HA GLY 22 13.567 4.683 -0.005 152 H PHE 23 H PHE 23 14.638 2.072 1.960 153 HA PHE 23 HA PHE 23 16.252 3.954 3.552 154 1HB PHE 23 1HB PHE 23 15.410 3.056 5.538 155 2HB PHE 23 2HB PHE 23 13.995 3.094 4.491 156 HD1 PHE 23 HD1 PHE 23 15.846 1.134 6.709 157 HD2 PHE 23 HD2 PHE 23 13.622 0.885 3.089 158 HE1 PHE 23 HE1 PHE 23 15.511 -1.275 7.084 159 HE2 PHE 23 HE2 PHE 23 13.282 -1.523 3.458 160 HZ PHE 23 HZ PHE 23 14.227 -2.606 5.459 161 H THR 24 H THR 24 17.779 2.738 5.083 162 HA THR 24 HA THR 24 19.187 0.708 3.493 163 HB THR 24 HB THR 24 20.307 2.324 5.787 164 HG1 THR 24 HG1 THR 24 20.564 3.900 4.407 165 1HG2 THR 24 1HG2 THR 24 21.782 0.583 5.551 166 2HG2 THR 24 2HG2 THR 24 22.435 1.695 4.347 167 3HG2 THR 24 3HG2 THR 24 21.406 0.354 3.843 168 H LEU 25 H LEU 25 19.980 -1.181 4.456 169 HA LEU 25 HA LEU 25 19.073 -1.774 7.179 170 1HB LEU 25 1HB LEU 25 17.355 -2.631 5.686 171 2HB LEU 25 2HB LEU 25 18.573 -3.514 4.767 172 HG LEU 25 HG LEU 25 18.939 -4.524 7.274 173 1HD1 LEU 25 1HD1 LEU 25 16.602 -3.140 7.562 174 2HD1 LEU 25 2HD1 LEU 25 17.096 -4.522 8.538 175 3HD1 LEU 25 3HD1 LEU 25 16.030 -4.757 7.153 176 1HD2 LEU 25 1HD2 LEU 25 18.819 -5.825 5.241 177 2HD2 LEU 25 2HD2 LEU 25 17.091 -5.502 5.100 178 3HD2 LEU 25 3HD2 LEU 25 17.699 -6.484 6.433 179 H SER 26 H SER 26 20.419 -3.073 8.337 180 HA SER 26 HA SER 26 22.780 -4.138 6.931 181 1HB SER 26 1HB SER 26 22.831 -2.070 8.733 182 2HB SER 26 2HB SER 26 23.166 -3.460 9.765 183 HG SER 26 HG SER 26 25.127 -3.067 9.034 184 H VAL 27 H VAL 27 22.383 -6.271 6.849 185 HA VAL 27 HA VAL 27 21.891 -7.648 9.402 186 HB VAL 27 HB VAL 27 19.785 -7.778 8.328 187 1HG1 VAL 27 1HG1 VAL 27 21.398 -8.219 5.856 188 2HG1 VAL 27 2HG1 VAL 27 19.749 -8.841 5.941 189 3HG1 VAL 27 3HG1 VAL 27 20.053 -7.114 6.140 190 1HG2 VAL 27 1HG2 VAL 27 21.010 -9.955 9.127 191 2HG2 VAL 27 2HG2 VAL 27 19.450 -10.052 8.311 192 3HG2 VAL 27 3HG2 VAL 27 20.935 -10.374 7.415 193 H ASP 28 H ASP 28 23.074 -9.461 9.756 194 HA ASP 28 HA ASP 28 25.453 -9.878 8.367 195 1HB ASP 28 1HB ASP 28 23.942 -11.808 10.141 196 2HB ASP 28 2HB ASP 28 25.625 -11.986 9.652 197 H ALA 29 H ALA 29 25.293 -10.217 6.200 198 HA ALA 29 HA ALA 29 23.433 -12.091 5.071 199 1HB ALA 29 1HB ALA 29 24.151 -11.366 3.000 200 2HB ALA 29 2HB ALA 29 24.450 -9.949 4.007 201 3HB ALA 29 3HB ALA 29 25.783 -11.018 3.570 202 H SER 30 H SER 30 26.025 -12.660 6.881 203 HA SER 30 HA SER 30 27.762 -14.325 5.569 204 1HB SER 30 1HB SER 30 27.871 -13.654 7.991 205 2HB SER 30 2HB SER 30 26.656 -14.887 8.328 206 HG SER 30 HG SER 30 28.360 -16.115 8.532 207 H LEU 31 H LEU 31 24.642 -15.226 7.015 208 HA LEU 31 HA LEU 31 24.827 -17.915 5.965 209 1HB LEU 31 1HB LEU 31 22.282 -16.863 7.061 210 2HB LEU 31 2HB LEU 31 23.051 -18.431 7.294 211 HG LEU 31 HG LEU 31 24.774 -16.843 8.638 212 1HD1 LEU 31 1HD1 LEU 31 23.052 -14.957 8.099 213 2HD1 LEU 31 2HD1 LEU 31 23.782 -15.063 9.701 214 3HD1 LEU 31 3HD1 LEU 31 22.149 -15.672 9.435 215 1HD2 LEU 31 1HD2 LEU 31 23.923 -17.818 10.575 216 2HD2 LEU 31 2HD2 LEU 31 23.447 -18.943 9.302 217 3HD2 LEU 31 3HD2 LEU 31 22.267 -17.812 9.967 218 H THR 32 H THR 32 23.500 -14.882 5.016 219 HA THR 32 HA THR 32 21.396 -15.656 3.365 220 HB THR 32 HB THR 32 23.311 -13.337 3.097 221 HG1 THR 32 HG1 THR 32 21.515 -12.204 3.977 222 1HG2 THR 32 1HG2 THR 32 21.142 -14.258 1.329 223 2HG2 THR 32 2HG2 THR 32 22.519 -13.210 0.985 224 3HG2 THR 32 3HG2 THR 32 21.083 -12.552 1.769 225 H ARG 33 H ARG 33 24.832 -15.880 2.891 226 HA ARG 33 HA ARG 33 25.103 -16.003 0.163 227 1HB ARG 33 1HB ARG 33 27.107 -17.176 0.501 228 2HB ARG 33 2HB ARG 33 26.888 -16.260 1.986 229 1HG ARG 33 1HG ARG 33 25.711 -18.466 2.791 230 2HG ARG 33 2HG ARG 33 26.692 -19.188 1.513 231 1HD ARG 33 1HD ARG 33 28.197 -17.327 3.163 232 2HD ARG 33 2HD ARG 33 27.503 -18.649 4.100 233 HE ARG 33 HE ARG 33 28.667 -19.818 1.895 234 1HH1 ARG 33 2HH1 ARG 33 29.713 -17.837 4.559 235 2HH1 ARG 33 1HH1 ARG 33 31.314 -18.499 4.593 236 1HH2 ARG 33 2HH2 ARG 33 30.772 -20.697 1.929 237 2HH2 ARG 33 1HH2 ARG 33 31.915 -20.125 3.095 238 H GLY 34 H GLY 34 23.733 -18.405 2.319 239 1HA GLY 34 1HA GLY 34 23.018 -20.009 -0.057 240 2HA GLY 34 2HA GLY 34 23.531 -20.760 1.447 241 H LYS 35 H LYS 35 21.910 -18.275 2.598 242 HA LYS 35 HA LYS 35 19.526 -19.835 3.069 243 1HB LYS 35 1HB LYS 35 20.718 -18.423 4.810 244 2HB LYS 35 2HB LYS 35 20.071 -17.011 3.985 245 1HG LYS 35 1HG LYS 35 17.877 -17.519 4.573 246 2HG LYS 35 2HG LYS 35 18.266 -19.202 4.938 247 1HD LYS 35 1HD LYS 35 17.889 -17.913 6.982 248 2HD LYS 35 2HD LYS 35 19.555 -18.488 6.887 249 1HE LYS 35 1HE LYS 35 20.249 -16.397 7.166 250 2HE LYS 35 2HE LYS 35 19.507 -15.977 5.623 251 1HZ LYS 35 1HZ LYS 35 18.330 -14.573 6.895 252 2HZ LYS 35 2HZ LYS 35 18.591 -15.446 8.320 253 3HZ LYS 35 3HZ LYS 35 17.387 -15.935 7.238 254 H GLN 36 H GLN 36 17.355 -18.803 2.893 255 HA GLN 36 HA GLN 36 17.165 -16.973 0.601 256 1HB GLN 36 1HB GLN 36 15.415 -18.261 -0.398 257 2HB GLN 36 2HB GLN 36 16.762 -19.349 -0.089 258 1HG GLN 36 1HG GLN 36 15.087 -19.389 2.191 259 2HG GLN 36 2HG GLN 36 14.064 -19.562 0.765 260 1HE2 GLN 36 2HE2 GLN 36 13.566 -21.690 1.129 261 2HE2 GLN 36 1HE2 GLN 36 14.719 -22.969 0.979 262 H SER 37 H SER 37 14.676 -16.362 0.373 263 HA SER 37 HA SER 37 13.446 -15.982 2.992 264 1HB SER 37 1HB SER 37 14.792 -14.002 2.848 265 2HB SER 37 2HB SER 37 14.300 -13.718 1.179 266 HG SER 37 HG SER 37 12.207 -13.292 1.923 267 H ASN 38 H ASN 38 11.228 -15.276 2.876 268 HA ASN 38 HA ASN 38 9.881 -16.373 0.572 269 1HB ASN 38 1HB ASN 38 9.201 -16.557 3.083 270 2HB ASN 38 2HB ASN 38 8.480 -14.970 2.826 271 1HD2 ASN 38 2HD2 ASN 38 8.198 -18.333 2.325 272 2HD2 ASN 38 1HD2 ASN 38 6.691 -18.314 1.480 273 H GLY 39 H GLY 39 9.282 -15.251 -1.156 274 1HA GLY 39 1HA GLY 39 9.755 -12.536 -1.531 275 2HA GLY 39 2HA GLY 39 8.667 -13.506 -2.514 276 H LEU 40 H LEU 40 7.984 -10.956 -2.239 277 HA LEU 40 HA LEU 40 5.946 -10.887 -0.117 278 1HB LEU 40 1HB LEU 40 7.700 -9.080 -0.204 279 2HB LEU 40 2HB LEU 40 6.977 -8.559 -1.724 280 HG LEU 40 HG LEU 40 4.910 -8.003 -0.586 281 1HD1 LEU 40 1HD1 LEU 40 6.014 -9.672 1.474 282 2HD1 LEU 40 2HD1 LEU 40 4.371 -9.060 1.288 283 3HD1 LEU 40 3HD1 LEU 40 5.583 -8.092 2.128 284 1HD2 LEU 40 1HD2 LEU 40 7.068 -6.508 -0.580 285 2HD2 LEU 40 2HD2 LEU 40 6.993 -6.782 1.161 286 3HD2 LEU 40 3HD2 LEU 40 5.633 -6.029 0.326 287 H HIS 41 H HIS 41 3.857 -9.992 -0.642 288 HA HIS 41 HA HIS 41 3.089 -9.612 -3.377 289 1HB HIS 41 1HB HIS 41 3.167 -12.241 -2.610 290 2HB HIS 41 2HB HIS 41 1.495 -11.813 -2.255 291 HD1 HIS 41 HD1 HIS 41 2.097 -13.815 -4.477 292 HD2 HIS 41 HD2 HIS 41 1.695 -9.729 -5.107 293 HE1 HIS 41 HE1 HIS 41 1.481 -13.567 -6.902 294 H GLY 42 H GLY 42 2.048 -7.751 -2.903 295 1HA GLY 42 1HA GLY 42 -0.373 -7.188 -2.401 296 2HA GLY 42 2HA GLY 42 -0.034 -7.856 -0.811 297 H ASP 43 H ASP 43 -0.974 -5.474 -0.606 298 HA ASP 43 HA ASP 43 1.030 -3.412 -0.844 299 1HB ASP 43 1HB ASP 43 -1.134 -2.595 -1.189 300 2HB ASP 43 2HB ASP 43 -1.796 -3.505 0.166 301 H TYR 44 H TYR 44 2.697 -3.449 0.520 302 HA TYR 44 HA TYR 44 2.133 -3.542 3.390 303 1HB TYR 44 1HB TYR 44 4.235 -5.233 2.021 304 2HB TYR 44 2HB TYR 44 4.067 -5.050 3.764 305 HD1 TYR 44 HD1 TYR 44 3.122 -6.958 0.932 306 HD2 TYR 44 HD2 TYR 44 1.767 -5.723 4.771 307 HE1 TYR 44 HE1 TYR 44 1.533 -8.836 0.968 308 HE2 TYR 44 HE2 TYR 44 0.176 -7.598 4.819 309 HH TYR 44 HH TYR 44 -0.807 -9.241 2.251 310 H ASP 45 H ASP 45 3.098 -1.918 4.404 311 HA ASP 45 HA ASP 45 4.694 -0.023 3.104 312 1HB ASP 45 1HB ASP 45 4.434 -0.540 6.074 313 2HB ASP 45 2HB ASP 45 5.078 0.927 5.343 314 H VAL 46 H VAL 46 6.852 0.643 4.489 315 HA VAL 46 HA VAL 46 8.850 -1.084 3.573 316 HB VAL 46 HB VAL 46 9.367 1.229 3.963 317 1HG1 VAL 46 1HG1 VAL 46 9.063 0.778 6.922 318 2HG1 VAL 46 2HG1 VAL 46 9.303 2.304 6.069 319 3HG1 VAL 46 3HG1 VAL 46 7.774 1.438 5.915 320 1HG2 VAL 46 1HG2 VAL 46 11.090 -0.659 4.390 321 2HG2 VAL 46 2HG2 VAL 46 11.490 0.991 4.868 322 3HG2 VAL 46 3HG2 VAL 46 10.953 -0.172 6.080 323 H GLU 47 H GLU 47 7.556 -0.625 6.853 324 HA GLU 47 HA GLU 47 9.227 -2.639 8.004 325 1HB GLU 47 1HB GLU 47 6.772 -1.204 9.013 326 2HB GLU 47 2HB GLU 47 7.650 -2.390 9.968 327 1HG GLU 47 1HG GLU 47 9.656 -1.014 9.852 328 2HG GLU 47 2HG GLU 47 8.793 0.171 8.874 329 H SER 48 H SER 48 5.755 -2.490 7.225 330 HA SER 48 HA SER 48 5.049 -5.055 8.001 331 1HB SER 48 1HB SER 48 3.928 -2.993 6.236 332 2HB SER 48 2HB SER 48 3.456 -4.635 5.800 333 HG SER 48 HG SER 48 2.894 -4.866 8.093 334 H GLY 49 H GLY 49 6.099 -3.957 4.776 335 1HA GLY 49 1HA GLY 49 6.032 -6.498 3.559 336 2HA GLY 49 2HA GLY 49 6.952 -5.114 2.987 337 H LEU 50 H LEU 50 8.661 -4.753 5.173 338 HA LEU 50 HA LEU 50 10.743 -6.499 4.561 339 1HB LEU 50 1HB LEU 50 11.496 -4.565 5.514 340 2HB LEU 50 2HB LEU 50 10.208 -4.529 6.716 341 HG LEU 50 HG LEU 50 11.354 -6.226 8.026 342 1HD1 LEU 50 1HD1 LEU 50 12.622 -6.846 5.632 343 2HD1 LEU 50 2HD1 LEU 50 12.943 -7.549 7.217 344 3HD1 LEU 50 3HD1 LEU 50 13.893 -6.174 6.655 345 1HD2 LEU 50 1HD2 LEU 50 12.092 -3.603 7.754 346 2HD2 LEU 50 2HD2 LEU 50 13.630 -4.450 7.589 347 3HD2 LEU 50 3HD2 LEU 50 12.638 -4.694 9.027 348 H GLN 51 H GLN 51 8.673 -6.456 7.462 349 HA GLN 51 HA GLN 51 9.749 -8.771 8.634 350 1HB GLN 51 1HB GLN 51 6.949 -7.675 8.938 351 2HB GLN 51 2HB GLN 51 7.758 -8.781 10.040 352 1HG GLN 51 1HG GLN 51 9.226 -6.302 9.538 353 2HG GLN 51 2HG GLN 51 7.660 -6.079 10.316 354 1HE2 GLN 51 2HE2 GLN 51 10.473 -8.235 10.526 355 2HE2 GLN 51 1HE2 GLN 51 10.547 -8.250 12.252 356 H GLN 52 H GLN 52 7.483 -8.329 6.064 357 HA GLN 52 HA GLN 52 6.297 -10.927 6.209 358 1HB GLN 52 1HB GLN 52 5.788 -8.567 4.810 359 2HB GLN 52 2HB GLN 52 6.230 -9.730 3.567 360 1HG GLN 52 1HG GLN 52 4.152 -10.280 5.665 361 2HG GLN 52 2HG GLN 52 3.783 -9.559 4.099 362 1HE2 GLN 52 2HE2 GLN 52 3.699 -12.347 5.722 363 2HE2 GLN 52 1HE2 GLN 52 3.890 -13.475 4.427 364 H LEU 53 H LEU 53 9.159 -9.596 4.777 365 HA LEU 53 HA LEU 53 9.606 -11.702 2.899 366 1HB LEU 53 1HB LEU 53 10.942 -9.272 3.760 367 2HB LEU 53 2HB LEU 53 12.077 -10.588 3.465 368 HG LEU 53 HG LEU 53 11.586 -10.674 1.201 369 1HD1 LEU 53 1HD1 LEU 53 9.372 -10.855 0.823 370 2HD1 LEU 53 2HD1 LEU 53 9.512 -9.135 0.463 371 3HD1 LEU 53 3HD1 LEU 53 8.952 -9.660 2.051 372 1HD2 LEU 53 1HD2 LEU 53 10.996 -7.782 1.426 373 2HD2 LEU 53 2HD2 LEU 53 12.221 -8.621 0.474 374 3HD2 LEU 53 3HD2 LEU 53 12.469 -8.364 2.202 375 H LEU 54 H LEU 54 11.174 -10.870 5.994 376 HA LEU 54 HA LEU 54 12.519 -13.413 6.109 377 1HB LEU 54 1HB LEU 54 13.747 -12.524 7.777 378 2HB LEU 54 2HB LEU 54 13.135 -11.016 7.102 379 HG LEU 54 HG LEU 54 12.880 -10.745 9.398 380 1HD1 LEU 54 1HD1 LEU 54 10.656 -10.824 7.808 381 2HD1 LEU 54 2HD1 LEU 54 10.720 -10.176 9.447 382 3HD1 LEU 54 3HD1 LEU 54 10.180 -11.833 9.175 383 1HD2 LEU 54 1HD2 LEU 54 11.367 -13.105 10.121 384 2HD2 LEU 54 2HD2 LEU 54 12.810 -12.417 10.865 385 3HD2 LEU 54 3HD2 LEU 54 12.963 -13.515 9.493 386 H ASP 55 H ASP 55 9.414 -12.455 6.736 387 HA ASP 55 HA ASP 55 8.656 -13.556 9.132 388 1HB ASP 55 1HB ASP 55 6.884 -12.542 8.083 389 2HB ASP 55 2HB ASP 55 7.303 -13.201 6.504 390 H GLY 56 H GLY 56 9.023 -15.492 9.977 391 1HA GLY 56 1HA GLY 56 8.166 -17.901 9.357 392 2HA GLY 56 2HA GLY 56 9.482 -17.771 8.199 393 H SER 57 H SER 57 11.162 -16.214 10.027 394 HA SER 57 HA SER 57 12.104 -18.463 11.652 395 1HB SER 57 1HB SER 57 14.164 -16.860 11.855 396 2HB SER 57 2HB SER 57 13.892 -17.739 10.351 397 HG SER 57 HG SER 57 12.979 -15.097 10.832 398 H GLY 58 H GLY 58 11.140 -15.083 11.875 399 1HA GLY 58 1HA GLY 58 10.202 -14.019 13.722 400 2HA GLY 58 2HA GLY 58 10.585 -15.429 14.698 401 H LEU 59 H LEU 59 11.706 -12.363 13.514 402 HA LEU 59 HA LEU 59 13.839 -12.424 15.526 403 1HB LEU 59 1HB LEU 59 14.113 -11.731 12.621 404 2HB LEU 59 2HB LEU 59 15.220 -11.080 13.827 405 HG LEU 59 HG LEU 59 15.322 -13.758 14.359 406 1HD1 LEU 59 1HD1 LEU 59 13.949 -13.814 12.070 407 2HD1 LEU 59 2HD1 LEU 59 15.119 -15.055 12.517 408 3HD1 LEU 59 3HD1 LEU 59 15.586 -13.761 11.414 409 1HD2 LEU 59 1HD2 LEU 59 17.361 -12.765 14.307 410 2HD2 LEU 59 2HD2 LEU 59 16.987 -11.814 12.869 411 3HD2 LEU 59 3HD2 LEU 59 17.408 -13.520 12.714 412 H GLN 60 H GLN 60 14.806 -10.107 15.715 413 HA GLN 60 HA GLN 60 12.535 -8.239 15.809 414 1HB GLN 60 1HB GLN 60 13.474 -7.244 17.720 415 2HB GLN 60 2HB GLN 60 13.701 -8.971 17.965 416 1HG GLN 60 1HG GLN 60 16.007 -8.227 16.674 417 2HG GLN 60 2HG GLN 60 15.664 -6.843 17.710 418 1HE2 GLN 60 2HE2 GLN 60 16.412 -10.236 17.607 419 2HE2 GLN 60 1HE2 GLN 60 16.836 -10.401 19.274 420 H VAL 61 H VAL 61 12.780 -6.119 15.115 421 HA VAL 61 HA VAL 61 15.260 -5.523 13.640 422 HB VAL 61 HB VAL 61 12.571 -4.554 12.711 423 1HG1 VAL 61 1HG1 VAL 61 14.750 -5.110 10.821 424 2HG1 VAL 61 2HG1 VAL 61 13.670 -3.719 10.935 425 3HG1 VAL 61 3HG1 VAL 61 15.082 -3.830 11.988 426 1HG2 VAL 61 1HG2 VAL 61 13.679 -7.254 12.514 427 2HG2 VAL 61 2HG2 VAL 61 12.029 -6.684 12.265 428 3HG2 VAL 61 3HG2 VAL 61 13.212 -6.555 10.964 429 H LYS 62 H LYS 62 16.240 -3.795 14.435 430 HA LYS 62 HA LYS 62 14.604 -1.566 15.434 431 1HB LYS 62 1HB LYS 62 16.396 -1.224 17.195 432 2HB LYS 62 2HB LYS 62 15.341 -2.612 17.428 433 1HG LYS 62 1HG LYS 62 17.794 -3.166 15.916 434 2HG LYS 62 2HG LYS 62 18.039 -2.683 17.596 435 1HD LYS 62 1HD LYS 62 16.059 -4.444 17.949 436 2HD LYS 62 2HD LYS 62 16.768 -5.116 16.479 437 1HE LYS 62 1HE LYS 62 18.131 -4.619 19.119 438 2HE LYS 62 2HE LYS 62 17.810 -6.173 18.352 439 1HZ LYS 62 1HZ LYS 62 19.291 -5.423 16.512 440 2HZ LYS 62 2HZ LYS 62 20.077 -5.650 17.992 441 3HZ LYS 62 3HZ LYS 62 19.717 -4.086 17.457 442 HA PRO 63 HA PRO 63 17.128 0.869 12.766 443 1HB PRO 63 1HB PRO 63 16.674 3.303 13.880 444 2HB PRO 63 2HB PRO 63 15.471 2.455 12.901 445 1HG PRO 63 1HG PRO 63 15.705 2.635 15.880 446 2HG PRO 63 2HG PRO 63 14.258 2.759 14.862 447 1HD PRO 63 1HD PRO 63 14.912 0.495 16.194 448 2HD PRO 63 2HD PRO 63 14.072 0.474 14.631 449 H LEU 64 H LEU 64 19.010 2.248 12.775 450 HA LEU 64 HA LEU 64 20.534 2.145 15.295 451 1HB LEU 64 1HB LEU 64 21.899 2.051 12.644 452 2HB LEU 64 2HB LEU 64 22.458 1.472 14.212 453 HG LEU 64 HG LEU 64 20.311 0.148 12.556 454 1HD1 LEU 64 1HD1 LEU 64 22.517 0.053 11.475 455 2HD1 LEU 64 2HD1 LEU 64 21.973 -1.530 12.026 456 3HD1 LEU 64 3HD1 LEU 64 23.193 -0.649 12.945 457 1HD2 LEU 64 1HD2 LEU 64 19.828 -0.766 14.545 458 2HD2 LEU 64 2HD2 LEU 64 21.348 -0.239 15.269 459 3HD2 LEU 64 3HD2 LEU 64 21.299 -1.705 14.289 460 H GLY 65 H GLY 65 20.725 3.671 12.068 461 1HA GLY 65 1HA GLY 65 21.073 6.261 13.434 462 2HA GLY 65 2HA GLY 65 22.167 5.780 12.145 463 H ASN 66 H ASN 66 21.693 6.475 10.172 464 HA ASN 66 HA ASN 66 19.305 7.958 9.682 465 1HB ASN 66 1HB ASN 66 21.824 7.903 8.570 466 2HB ASN 66 2HB ASN 66 20.837 7.162 7.313 467 1HD2 ASN 66 2HD2 ASN 66 18.862 8.360 6.702 468 2HD2 ASN 66 1HD2 ASN 66 18.944 10.086 6.664 469 H ASN 67 H ASN 67 17.546 6.589 9.891 470 HA ASN 67 HA ASN 67 16.073 4.911 9.380 471 1HB ASN 67 1HB ASN 67 16.456 6.579 7.210 472 2HB ASN 67 2HB ASN 67 16.627 4.973 6.509 473 1HD2 ASN 67 2HD2 ASN 67 14.885 3.415 7.592 474 2HD2 ASN 67 1HD2 ASN 67 13.270 4.018 7.479 475 H SER 68 H SER 68 18.768 4.004 9.934 476 HA SER 68 HA SER 68 19.099 1.740 8.108 477 1HB SER 68 1HB SER 68 21.148 1.471 9.855 478 2HB SER 68 2HB SER 68 21.233 2.475 8.408 479 HG SER 68 HG SER 68 21.233 4.211 9.610 480 H TRP 69 H TRP 69 17.991 -0.029 8.593 481 HA TRP 69 HA TRP 69 17.477 -0.660 11.417 482 1HB TRP 69 1HB TRP 69 16.131 -1.733 8.928 483 2HB TRP 69 2HB TRP 69 15.690 -2.129 10.587 484 HD1 TRP 69 HD1 TRP 69 16.143 1.224 8.657 485 HE1 TRP 69 HE1 TRP 69 14.134 2.730 9.225 486 HE3 TRP 69 HE3 TRP 69 13.634 -1.926 11.806 487 HZ2 TRP 69 HZ2 TRP 69 11.796 2.599 10.801 488 HZ3 TRP 69 HZ3 TRP 69 11.519 -1.159 12.802 489 HH2 TRP 69 HH2 TRP 69 10.621 1.057 12.309 490 H THR 70 H THR 70 17.768 -2.808 12.181 491 HA THR 70 HA THR 70 19.455 -4.540 10.515 492 HB THR 70 HB THR 70 20.913 -3.207 12.043 493 HG1 THR 70 HG1 THR 70 22.134 -4.980 12.550 494 1HG2 THR 70 1HG2 THR 70 19.385 -2.988 13.931 495 2HG2 THR 70 2HG2 THR 70 20.890 -3.752 14.441 496 3HG2 THR 70 3HG2 THR 70 19.443 -4.730 14.197 497 H LEU 71 H LEU 71 19.372 -6.756 11.029 498 HA LEU 71 HA LEU 71 17.005 -7.506 12.597 499 1HB LEU 71 1HB LEU 71 18.217 -8.466 10.124 500 2HB LEU 71 2HB LEU 71 17.810 -9.763 11.246 501 HG LEU 71 HG LEU 71 16.019 -9.399 9.642 502 1HD1 LEU 71 1HD1 LEU 71 15.260 -8.453 12.402 503 2HD1 LEU 71 2HD1 LEU 71 15.462 -10.135 11.913 504 3HD1 LEU 71 3HD1 LEU 71 14.177 -9.159 11.202 505 1HD2 LEU 71 1HD2 LEU 71 16.088 -6.584 10.701 506 2HD2 LEU 71 2HD2 LEU 71 14.704 -7.250 9.834 507 3HD2 LEU 71 3HD2 LEU 71 16.271 -7.128 9.034 508 H GLU 72 H GLU 72 17.173 -8.723 14.382 509 HA GLU 72 HA GLU 72 19.723 -10.075 14.930 510 1HB GLU 72 1HB GLU 72 18.367 -7.982 16.541 511 2HB GLU 72 2HB GLU 72 19.064 -9.334 17.423 512 1HG GLU 72 1HG GLU 72 21.131 -8.751 15.836 513 2HG GLU 72 2HG GLU 72 20.384 -7.158 15.931 514 HA PRO 73 HA PRO 73 17.314 -13.533 16.148 515 1HB PRO 73 1HB PRO 73 18.841 -14.593 18.126 516 2HB PRO 73 2HB PRO 73 19.290 -14.673 16.418 517 1HG PRO 73 1HG PRO 73 20.239 -12.787 18.541 518 2HG PRO 73 2HG PRO 73 21.174 -13.619 17.284 519 1HD PRO 73 1HD PRO 73 20.424 -11.027 17.066 520 2HD PRO 73 2HD PRO 73 20.580 -12.097 15.658 521 H ALA 74 H ALA 74 15.458 -13.482 17.235 522 HA ALA 74 HA ALA 74 15.455 -12.385 19.972 523 1HB ALA 74 1HB ALA 74 14.032 -11.447 17.832 524 2HB ALA 74 2HB ALA 74 12.863 -12.498 18.632 525 3HB ALA 74 3HB ALA 74 13.623 -11.182 19.527 526 HA PRO 75 HA PRO 75 13.933 -16.179 21.565 527 1HB PRO 75 1HB PRO 75 12.148 -15.349 23.433 528 2HB PRO 75 2HB PRO 75 13.896 -15.183 23.635 529 1HG PRO 75 1HG PRO 75 11.888 -13.142 22.761 530 2HG PRO 75 2HG PRO 75 13.246 -12.965 23.887 531 1HD PRO 75 1HD PRO 75 13.367 -12.128 21.314 532 2HD PRO 75 2HD PRO 75 14.787 -12.737 22.188 533 H ALA 76 H ALA 76 11.983 -17.510 21.905 534 HA ALA 76 HA ALA 76 10.327 -17.611 19.698 535 1HB ALA 76 1HB ALA 76 10.386 -18.891 22.338 536 2HB ALA 76 2HB ALA 76 8.801 -18.858 21.564 537 3HB ALA 76 3HB ALA 76 10.171 -19.596 20.735 538 HA PRO 77 HA PRO 77 7.092 -14.695 20.225 539 1HB PRO 77 1HB PRO 77 4.914 -16.074 19.372 540 2HB PRO 77 2HB PRO 77 6.177 -15.499 18.277 541 1HG PRO 77 1HG PRO 77 5.775 -18.229 19.438 542 2HG PRO 77 2HG PRO 77 6.214 -17.770 17.782 543 1HD PRO 77 1HD PRO 77 8.039 -18.631 19.588 544 2HD PRO 77 2HD PRO 77 8.431 -17.446 18.325 545 H LYS 78 H LYS 78 4.996 -14.270 21.294 546 HA LYS 78 HA LYS 78 4.643 -15.976 23.673 547 1HB LYS 78 1HB LYS 78 3.781 -13.845 24.759 548 2HB LYS 78 2HB LYS 78 5.509 -13.913 24.439 549 1HG LYS 78 1HG LYS 78 5.245 -12.521 22.486 550 2HG LYS 78 2HG LYS 78 3.491 -12.526 22.687 551 1HD LYS 78 1HD LYS 78 3.962 -11.537 25.013 552 2HD LYS 78 2HD LYS 78 5.579 -11.203 24.390 553 1HE LYS 78 1HE LYS 78 3.119 -10.337 22.907 554 2HE LYS 78 2HE LYS 78 3.797 -9.360 24.208 555 1HZ LYS 78 1HZ LYS 78 5.946 -9.450 22.956 556 2HZ LYS 78 2HZ LYS 78 4.716 -8.568 22.201 557 3HZ LYS 78 3HZ LYS 78 5.097 -10.124 21.657 558 H GLU 79 H GLU 79 3.304 -16.095 21.019 559 HA GLU 79 HA GLU 79 0.671 -16.558 21.932 560 1HB GLU 79 1HB GLU 79 0.886 -13.960 21.656 561 2HB GLU 79 2HB GLU 79 0.728 -14.321 19.942 562 1HG GLU 79 1HG GLU 79 -1.425 -15.233 20.228 563 2HG GLU 79 2HG GLU 79 -1.248 -15.292 21.981 564 H ASP 80 H ASP 80 -0.749 -17.346 20.224 565 HA ASP 80 HA ASP 80 0.799 -18.652 18.128 566 1HB ASP 80 1HB ASP 80 -2.055 -19.043 19.051 567 2HB ASP 80 2HB ASP 80 -1.284 -19.977 17.772 568 H ALA 81 H ALA 81 0.949 -16.304 17.250 569 HA ALA 81 HA ALA 81 -1.233 -15.959 15.301 570 1HB ALA 81 1HB ALA 81 -1.296 -14.216 17.059 571 2HB ALA 81 2HB ALA 81 0.327 -13.719 16.580 572 3HB ALA 81 3HB ALA 81 -1.014 -13.566 15.444 573 H LEU 82 H LEU 82 -0.173 -16.998 13.636 574 HA LEU 82 HA LEU 82 1.946 -15.469 12.374 575 1HB LEU 82 1HB LEU 82 2.308 -18.186 13.516 576 2HB LEU 82 2HB LEU 82 3.064 -17.841 11.962 577 HG LEU 82 HG LEU 82 3.539 -16.262 14.488 578 1HD1 LEU 82 1HD1 LEU 82 5.638 -17.967 13.289 579 2HD1 LEU 82 2HD1 LEU 82 4.356 -18.779 14.187 580 3HD1 LEU 82 3HD1 LEU 82 5.341 -17.546 14.975 581 1HD2 LEU 82 1HD2 LEU 82 4.293 -14.756 13.017 582 2HD2 LEU 82 2HD2 LEU 82 4.274 -15.911 11.684 583 3HD2 LEU 82 3HD2 LEU 82 5.648 -15.862 12.790 584 H THR 83 H THR 83 1.867 -15.562 10.185 585 HA THR 83 HA THR 83 -0.025 -17.483 8.991 586 HB THR 83 HB THR 83 -1.000 -15.248 8.957 587 HG1 THR 83 HG1 THR 83 -1.697 -15.637 6.995 588 1HG2 THR 83 1HG2 THR 83 1.658 -14.521 7.803 589 2HG2 THR 83 2HG2 THR 83 0.699 -13.688 9.026 590 3HG2 THR 83 3HG2 THR 83 0.230 -13.603 7.328 591 H VAL 84 H VAL 84 0.352 -17.864 6.646 592 HA VAL 84 HA VAL 84 3.166 -17.548 5.866 593 HB VAL 84 HB VAL 84 1.649 -20.135 5.528 594 1HG1 VAL 84 1HG1 VAL 84 4.434 -19.232 4.885 595 2HG1 VAL 84 2HG1 VAL 84 4.058 -20.939 5.129 596 3HG1 VAL 84 3HG1 VAL 84 3.258 -20.033 3.844 597 1HG2 VAL 84 1HG2 VAL 84 3.403 -19.153 7.716 598 2HG2 VAL 84 2HG2 VAL 84 2.001 -20.221 7.784 599 3HG2 VAL 84 3HG2 VAL 84 3.555 -20.839 7.223 600 H VAL 85 H VAL 85 3.540 -17.327 3.682 601 HA VAL 85 HA VAL 85 1.154 -17.259 1.951 602 HB VAL 85 HB VAL 85 2.098 -15.366 0.749 603 1HG1 VAL 85 1HG1 VAL 85 0.627 -14.683 2.433 604 2HG1 VAL 85 2HG1 VAL 85 1.769 -15.080 3.718 605 3HG1 VAL 85 3HG1 VAL 85 2.058 -13.683 2.681 606 1HG2 VAL 85 1HG2 VAL 85 4.110 -14.479 2.547 607 2HG2 VAL 85 2HG2 VAL 85 4.488 -16.135 2.075 608 3HG2 VAL 85 3HG2 VAL 85 4.267 -14.896 0.840 609 H GLY 86 H GLY 86 2.090 -16.957 -0.474 610 1HA GLY 86 1HA GLY 86 4.375 -18.725 -0.906 611 2HA GLY 86 2HA GLY 86 2.822 -19.271 -1.523 612 H ASP 87 H ASP 87 5.180 -18.719 -3.060 613 HA ASP 87 HA ASP 87 4.000 -17.009 -5.044 614 1HB ASP 87 1HB ASP 87 5.229 -15.472 -3.386 615 2HB ASP 87 2HB ASP 87 6.711 -16.159 -4.046 616 H TRP 88 H TRP 88 5.033 -17.164 -7.086 617 HA TRP 88 HA TRP 88 6.304 -19.680 -7.529 618 1HB TRP 88 1HB TRP 88 4.721 -18.533 -9.126 619 2HB TRP 88 2HB TRP 88 6.023 -17.408 -9.501 620 HD1 TRP 88 HD1 TRP 88 7.146 -18.034 -11.700 621 HE1 TRP 88 HE1 TRP 88 7.745 -20.219 -12.922 622 HE3 TRP 88 HE3 TRP 88 5.271 -21.389 -8.329 623 HZ2 TRP 88 HZ2 TRP 88 7.460 -22.997 -12.511 624 HZ3 TRP 88 HZ3 TRP 88 5.474 -23.792 -8.819 625 HH2 TRP 88 HH2 TRP 88 6.545 -24.577 -10.868 626 H LEU 89 H LEU 89 8.390 -20.103 -8.283 627 HA LEU 89 HA LEU 89 10.484 -18.746 -7.100 628 1HB LEU 89 1HB LEU 89 10.313 -20.640 -9.403 629 2HB LEU 89 2HB LEU 89 11.855 -19.884 -9.006 630 HG LEU 89 HG LEU 89 11.331 -20.831 -6.607 631 1HD1 LEU 89 1HD1 LEU 89 9.438 -22.250 -8.389 632 2HD1 LEU 89 2HD1 LEU 89 9.303 -21.847 -6.678 633 3HD1 LEU 89 3HD1 LEU 89 10.299 -23.211 -7.186 634 1HD2 LEU 89 1HD2 LEU 89 13.254 -21.411 -8.021 635 2HD2 LEU 89 2HD2 LEU 89 12.259 -22.591 -8.875 636 3HD2 LEU 89 3HD2 LEU 89 12.616 -22.813 -7.162 637 H GLY 90 H GLY 90 9.790 -18.726 -10.606 638 1HA GLY 90 1HA GLY 90 9.724 -16.837 -12.002 639 2HA GLY 90 2HA GLY 90 10.395 -15.874 -10.694 640 H ASP 91 H ASP 91 11.172 -16.115 -13.545 641 HA ASP 91 HA ASP 91 13.973 -16.935 -13.133 642 1HB ASP 91 1HB ASP 91 12.868 -18.442 -14.703 643 2HB ASP 91 2HB ASP 91 12.341 -17.072 -15.676 644 H ALA 92 H ALA 92 14.399 -14.769 -12.410 645 HA ALA 92 HA ALA 92 14.568 -12.846 -14.639 646 1HB ALA 92 1HB ALA 92 13.484 -12.519 -11.934 647 2HB ALA 92 2HB ALA 92 14.582 -11.239 -12.450 648 3HB ALA 92 3HB ALA 92 13.151 -11.614 -13.411 649 H ARG 93 H ARG 93 16.488 -11.830 -14.954 650 HA ARG 93 HA ARG 93 18.592 -12.091 -12.944 651 1HB ARG 93 1HB ARG 93 20.191 -12.767 -14.810 652 2HB ARG 93 2HB ARG 93 19.081 -14.003 -14.233 653 1HG ARG 93 1HG ARG 93 17.649 -13.666 -16.149 654 2HG ARG 93 2HG ARG 93 18.669 -12.338 -16.708 655 1HD ARG 93 1HD ARG 93 19.506 -14.034 -17.987 656 2HD ARG 93 2HD ARG 93 20.548 -14.184 -16.573 657 HE ARG 93 HE ARG 93 18.336 -15.806 -16.138 658 1HH1 ARG 93 2HH1 ARG 93 21.003 -15.594 -18.366 659 2HH1 ARG 93 1HH1 ARG 93 21.062 -17.300 -18.660 660 1HH2 ARG 93 2HH2 ARG 93 18.404 -18.054 -16.517 661 2HH2 ARG 93 1HH2 ARG 93 19.583 -18.698 -17.609 662 H GLU 94 H GLU 94 20.184 -10.508 -13.053 663 HA GLU 94 HA GLU 94 20.486 -8.702 -15.208 664 1HB GLU 94 1HB GLU 94 19.594 -6.670 -14.031 665 2HB GLU 94 2HB GLU 94 18.366 -7.795 -14.592 666 1HG GLU 94 1HG GLU 94 18.353 -8.750 -12.255 667 2HG GLU 94 2HG GLU 94 19.331 -7.361 -11.784 668 H ASN 95 H ASN 95 22.448 -7.819 -15.056 669 HA ASN 95 HA ASN 95 23.598 -6.827 -12.678 670 1HB ASN 95 1HB ASN 95 23.697 -9.469 -12.524 671 2HB ASN 95 2HB ASN 95 25.096 -9.253 -13.571 672 1HD2 ASN 95 2HD2 ASN 95 26.976 -8.706 -12.686 673 2HD2 ASN 95 1HD2 ASN 95 27.204 -8.246 -11.036 674 H ASP 96 H ASP 96 25.238 -5.475 -13.162 675 HA ASP 96 HA ASP 96 26.887 -5.851 -15.494 676 1HB ASP 96 1HB ASP 96 26.262 -3.529 -16.381 677 2HB ASP 96 2HB ASP 96 25.126 -4.839 -16.690 678 H LEU 97 H LEU 97 28.836 -5.411 -14.723 679 HA LEU 97 HA LEU 97 29.481 -2.863 -13.625 680 1HB LEU 97 1HB LEU 97 28.438 -4.353 -11.727 681 2HB LEU 97 2HB LEU 97 30.044 -5.080 -11.713 682 HG LEU 97 HG LEU 97 29.746 -2.114 -11.460 683 1HD1 LEU 97 1HD1 LEU 97 28.247 -3.450 -9.816 684 2HD1 LEU 97 2HD1 LEU 97 29.295 -2.175 -9.197 685 3HD1 LEU 97 3HD1 LEU 97 29.775 -3.864 -9.039 686 1HD2 LEU 97 1HD2 LEU 97 31.974 -2.813 -11.734 687 2HD2 LEU 97 2HD2 LEU 97 31.766 -4.184 -10.644 688 3HD2 LEU 97 3HD2 LEU 97 31.783 -2.540 -10.002 689 H GLU 98 H GLU 98 31.357 -2.471 -14.579 690 HA GLU 98 HA GLU 98 33.608 -4.198 -14.236 691 1HB GLU 98 1HB GLU 98 32.365 -5.293 -16.127 692 2HB GLU 98 2HB GLU 98 32.618 -3.828 -17.065 693 1HG GLU 98 1HG GLU 98 34.280 -5.363 -17.732 694 2HG GLU 98 2HG GLU 98 35.080 -4.152 -16.732 695 H HIS 99 H HIS 99 35.104 -2.743 -13.750 696 HA HIS 99 HA HIS 99 35.676 -0.592 -15.612 697 1HB HIS 99 1HB HIS 99 34.677 -0.145 -12.821 698 2HB HIS 99 2HB HIS 99 35.824 0.989 -13.528 699 HD1 HIS 99 HD1 HIS 99 34.927 1.732 -16.131 700 HD2 HIS 99 HD2 HIS 99 32.148 0.677 -13.228 701 HE1 HIS 99 HE1 HIS 99 32.750 2.738 -16.888 702 H HIS 100 H HIS 100 37.778 0.259 -15.403 703 HA HIS 100 HA HIS 100 39.641 -1.573 -14.159 704 1HB HIS 100 1HB HIS 100 40.098 -0.751 -16.417 705 2HB HIS 100 2HB HIS 100 40.114 0.908 -15.826 706 HD1 HIS 100 HD1 HIS 100 42.361 1.799 -15.318 707 HD2 HIS 100 HD2 HIS 100 42.259 -2.349 -15.097 708 HE1 HIS 100 HE1 HIS 100 44.730 1.092 -14.853 709 H HIS 101 H HIS 101 39.715 1.983 -14.244 710 HA HIS 101 HA HIS 101 39.712 2.183 -11.373 711 1HB HIS 101 1HB HIS 101 42.239 2.356 -12.943 712 2HB HIS 101 2HB HIS 101 42.017 3.498 -11.620 713 HD1 HIS 101 HD1 HIS 101 43.628 0.477 -12.170 714 HD2 HIS 101 HD2 HIS 101 41.017 1.773 -9.209 715 HE1 HIS 101 HE1 HIS 101 44.019 -1.052 -10.212 716 H HIS 102 H HIS 102 40.342 4.580 -10.777 717 HA HIS 102 HA HIS 102 38.602 6.246 -12.380 718 1HB HIS 102 1HB HIS 102 38.882 7.896 -10.589 719 2HB HIS 102 2HB HIS 102 38.453 6.320 -9.931 720 HD1 HIS 102 HD1 HIS 102 39.877 5.525 -8.068 721 HD2 HIS 102 HD2 HIS 102 41.805 8.387 -10.381 722 HE1 HIS 102 HE1 HIS 102 42.060 5.970 -6.903 723 H HIS 103 H HIS 103 39.189 8.261 -13.287 724 HA HIS 103 HA HIS 103 42.032 8.415 -14.026 725 1HB HIS 103 1HB HIS 103 40.203 8.120 -15.810 726 2HB HIS 103 2HB HIS 103 39.784 9.798 -15.476 727 HD1 HIS 103 HD1 HIS 103 40.675 11.129 -17.357 728 HD2 HIS 103 HD2 HIS 103 43.371 8.226 -16.105 729 HE1 HIS 103 HE1 HIS 103 42.747 11.497 -18.734 730 H HIS 104 H HIS 104 43.083 9.824 -12.783 731 HA HIS 104 HA HIS 104 41.879 11.953 -11.379 732 1HB HIS 104 1HB HIS 104 44.181 12.672 -10.887 733 2HB HIS 104 2HB HIS 104 43.980 10.939 -10.646 734 HD1 HIS 104 HD1 HIS 104 45.529 9.430 -11.908 735 HD2 HIS 104 HD2 HIS 104 45.610 13.334 -13.325 736 HE1 HIS 104 HE1 HIS 104 47.417 9.504 -13.567 Start of MODEL 6 1 1H ALA 1 H ALA 1 1.166 0.416 -0.027 2 HA ALA 1 HA ALA 1 1.839 0.689 -2.820 3 1HB ALA 1 1HB ALA 1 4.209 0.262 -1.813 4 2HB ALA 1 2HB ALA 1 3.380 1.790 -1.512 5 3HB ALA 1 3HB ALA 1 3.389 0.533 -0.275 6 H GLN 2 H GLN 2 0.953 -1.180 -3.763 7 HA GLN 2 HA GLN 2 1.362 -3.804 -2.897 8 1HB GLN 2 1HB GLN 2 -0.243 -2.967 -4.689 9 2HB GLN 2 2HB GLN 2 1.128 -2.985 -5.789 10 1HG GLN 2 1HG GLN 2 0.512 -5.448 -4.244 11 2HG GLN 2 2HG GLN 2 -0.515 -5.023 -5.613 12 1HE2 GLN 2 2HE2 GLN 2 1.421 -7.234 -5.163 13 2HE2 GLN 2 1HE2 GLN 2 2.498 -7.167 -6.511 14 H VAL 3 H VAL 3 3.108 -5.047 -2.827 15 HA VAL 3 HA VAL 3 5.331 -4.474 -4.670 16 HB VAL 3 HB VAL 3 5.589 -5.158 -1.738 17 1HG1 VAL 3 1HG1 VAL 3 8.077 -4.512 -2.483 18 2HG1 VAL 3 2HG1 VAL 3 7.465 -6.168 -2.511 19 3HG1 VAL 3 3HG1 VAL 3 7.500 -5.213 -3.995 20 1HG2 VAL 3 1HG2 VAL 3 5.472 -2.654 -3.183 21 2HG2 VAL 3 2HG2 VAL 3 5.448 -2.953 -1.445 22 3HG2 VAL 3 3HG2 VAL 3 6.987 -2.823 -2.296 23 H ASN 4 H ASN 4 5.808 -6.178 -5.877 24 HA ASN 4 HA ASN 4 5.242 -8.864 -4.805 25 1HB ASN 4 1HB ASN 4 5.171 -9.410 -7.382 26 2HB ASN 4 2HB ASN 4 3.757 -8.743 -6.570 27 1HD2 ASN 4 2HD2 ASN 4 6.007 -8.350 -9.054 28 2HD2 ASN 4 1HD2 ASN 4 5.527 -6.773 -9.573 29 H ILE 5 H ILE 5 7.028 -9.958 -4.364 30 HA ILE 5 HA ILE 5 9.355 -9.631 -6.138 31 HB ILE 5 HB ILE 5 9.469 -9.991 -3.142 32 1HG1 ILE 5 1HG1 ILE 5 10.483 -7.595 -4.637 33 2HG1 ILE 5 2HG1 ILE 5 8.784 -7.698 -4.189 34 1HG2 ILE 5 1HG2 ILE 5 11.388 -11.022 -3.861 35 2HG2 ILE 5 2HG2 ILE 5 11.522 -10.011 -5.299 36 3HG2 ILE 5 3HG2 ILE 5 11.947 -9.356 -3.719 37 1HD1 ILE 5 1HD1 ILE 5 11.168 -7.661 -2.364 38 2HD1 ILE 5 2HD1 ILE 5 9.885 -6.459 -2.504 39 3HD1 ILE 5 3HD1 ILE 5 9.534 -8.048 -1.825 40 H ALA 6 H ALA 6 10.375 -11.466 -6.764 41 HA ALA 6 HA ALA 6 9.071 -13.981 -6.122 42 1HB ALA 6 1HB ALA 6 10.061 -14.860 -8.021 43 2HB ALA 6 2HB ALA 6 9.819 -13.170 -8.464 44 3HB ALA 6 3HB ALA 6 11.414 -13.730 -7.964 45 HA PRO 7 HA PRO 7 12.071 -15.091 -3.063 46 1HB PRO 7 1HB PRO 7 11.399 -17.714 -2.861 47 2HB PRO 7 2HB PRO 7 10.423 -16.415 -2.163 48 1HG PRO 7 1HG PRO 7 10.036 -17.905 -4.731 49 2HG PRO 7 2HG PRO 7 8.831 -17.435 -3.517 50 1HD PRO 7 1HD PRO 7 9.194 -16.055 -5.818 51 2HD PRO 7 2HD PRO 7 8.696 -15.273 -4.305 52 H GLY 8 H GLY 8 13.318 -17.489 -2.832 53 1HA GLY 8 1HA GLY 8 14.666 -19.067 -4.022 54 2HA GLY 8 2HA GLY 8 14.611 -18.007 -5.422 55 H SER 9 H SER 9 15.104 -16.146 -2.715 56 HA SER 9 HA SER 9 17.801 -16.504 -2.102 57 1HB SER 9 1HB SER 9 17.310 -15.151 -4.645 58 2HB SER 9 2HB SER 9 18.277 -14.180 -3.534 59 HG SER 9 HG SER 9 19.181 -16.047 -5.038 60 H LEU 10 H LEU 10 17.979 -15.536 -0.202 61 HA LEU 10 HA LEU 10 16.084 -13.642 0.731 62 1HB LEU 10 1HB LEU 10 17.290 -15.278 2.157 63 2HB LEU 10 2HB LEU 10 18.765 -14.344 1.916 64 HG LEU 10 HG LEU 10 16.412 -12.922 3.038 65 1HD1 LEU 10 1HD1 LEU 10 16.234 -14.842 4.381 66 2HD1 LEU 10 2HD1 LEU 10 17.179 -13.696 5.331 67 3HD1 LEU 10 3HD1 LEU 10 17.985 -15.025 4.497 68 1HD2 LEU 10 1HD2 LEU 10 18.899 -12.143 2.514 69 2HD2 LEU 10 2HD2 LEU 10 19.162 -12.780 4.138 70 3HD2 LEU 10 3HD2 LEU 10 17.976 -11.501 3.873 71 H ASP 11 H ASP 11 19.352 -13.392 -0.538 72 HA ASP 11 HA ASP 11 19.759 -10.666 0.137 73 1HB ASP 11 1HB ASP 11 21.720 -11.870 -0.330 74 2HB ASP 11 2HB ASP 11 21.057 -12.551 -1.814 75 H LYS 12 H LYS 12 18.517 -12.297 -2.742 76 HA LYS 12 HA LYS 12 18.337 -10.053 -4.413 77 1HB LYS 12 1HB LYS 12 17.076 -12.746 -4.332 78 2HB LYS 12 2HB LYS 12 16.317 -11.531 -5.351 79 1HG LYS 12 1HG LYS 12 19.141 -11.511 -5.795 80 2HG LYS 12 2HG LYS 12 18.526 -13.159 -5.948 81 1HD LYS 12 1HD LYS 12 18.209 -12.387 -8.087 82 2HD LYS 12 2HD LYS 12 16.649 -11.986 -7.364 83 1HE LYS 12 1HE LYS 12 17.228 -9.713 -7.133 84 2HE LYS 12 2HE LYS 12 18.936 -10.037 -7.423 85 1HZ LYS 12 1HZ LYS 12 16.744 -9.774 -9.331 86 2HZ LYS 12 2HZ LYS 12 17.946 -10.905 -9.699 87 3HZ LYS 12 3HZ LYS 12 18.358 -9.281 -9.462 88 H ALA 13 H ALA 13 15.761 -11.608 -2.492 89 HA ALA 13 HA ALA 13 13.780 -9.706 -2.970 90 1HB ALA 13 1HB ALA 13 12.632 -10.620 -1.052 91 2HB ALA 13 2HB ALA 13 13.380 -11.926 -1.972 92 3HB ALA 13 3HB ALA 13 14.124 -11.363 -0.475 93 H LEU 14 H LEU 14 16.341 -9.785 -0.554 94 HA LEU 14 HA LEU 14 15.496 -7.754 1.134 95 1HB LEU 14 1HB LEU 14 17.345 -8.807 1.947 96 2HB LEU 14 2HB LEU 14 18.122 -8.896 0.367 97 HG LEU 14 HG LEU 14 18.686 -6.495 0.551 98 1HD1 LEU 14 1HD1 LEU 14 17.175 -5.481 1.948 99 2HD1 LEU 14 2HD1 LEU 14 18.552 -5.675 3.032 100 3HD1 LEU 14 3HD1 LEU 14 17.199 -6.802 3.115 101 1HD2 LEU 14 1HD2 LEU 14 19.953 -7.251 2.979 102 2HD2 LEU 14 2HD2 LEU 14 20.617 -7.240 1.345 103 3HD2 LEU 14 3HD2 LEU 14 19.811 -8.684 1.960 104 H ASN 15 H ASN 15 17.471 -7.503 -1.813 105 HA ASN 15 HA ASN 15 17.649 -4.660 -1.711 106 1HB ASN 15 1HB ASN 15 18.208 -6.686 -3.875 107 2HB ASN 15 2HB ASN 15 18.403 -4.955 -4.135 108 1HD2 ASN 15 2HD2 ASN 15 19.360 -7.546 -1.922 109 2HD2 ASN 15 1HD2 ASN 15 20.948 -6.937 -1.620 110 H GLN 16 H GLN 16 15.442 -6.944 -3.184 111 HA GLN 16 HA GLN 16 14.155 -5.230 -4.987 112 1HB GLN 16 1HB GLN 16 12.982 -7.562 -3.463 113 2HB GLN 16 2HB GLN 16 12.294 -6.827 -4.905 114 1HG GLN 16 1HG GLN 16 15.058 -7.676 -5.253 115 2HG GLN 16 2HG GLN 16 13.963 -8.995 -4.844 116 1HE2 GLN 16 2HE2 GLN 16 14.629 -9.663 -7.046 117 2HE2 GLN 16 1HE2 GLN 16 13.707 -9.073 -8.382 118 H TYR 17 H TYR 17 13.152 -6.159 -1.692 119 HA TYR 17 HA TYR 17 11.036 -4.260 -1.595 120 1HB TYR 17 1HB TYR 17 10.532 -5.169 0.436 121 2HB TYR 17 2HB TYR 17 11.566 -6.460 -0.166 122 HD1 TYR 17 HD1 TYR 17 13.783 -6.812 0.753 123 HD2 TYR 17 HD2 TYR 17 11.309 -3.658 2.181 124 HE1 TYR 17 HE1 TYR 17 15.261 -6.543 2.700 125 HE2 TYR 17 HE2 TYR 17 12.781 -3.380 4.132 126 HH TYR 17 HH TYR 17 15.597 -4.124 4.434 127 H ALA 18 H ALA 18 14.386 -4.268 -0.521 128 HA ALA 18 HA ALA 18 14.324 -1.930 1.034 129 1HB ALA 18 1HB ALA 18 16.623 -3.078 -0.544 130 2HB ALA 18 2HB ALA 18 16.749 -1.885 0.749 131 3HB ALA 18 3HB ALA 18 16.178 -3.515 1.106 132 H ALA 19 H ALA 19 14.574 -2.437 -2.418 133 HA ALA 19 HA ALA 19 15.323 0.273 -3.013 134 1HB ALA 19 1HB ALA 19 16.003 -1.494 -4.511 135 2HB ALA 19 2HB ALA 19 14.321 -1.942 -4.797 136 3HB ALA 19 3HB ALA 19 14.927 -0.384 -5.360 137 H HIS 20 H HIS 20 12.353 -1.506 -2.655 138 HA HIS 20 HA HIS 20 10.699 0.443 -3.960 139 1HB HIS 20 1HB HIS 20 9.124 -1.146 -3.815 140 2HB HIS 20 2HB HIS 20 10.368 -2.188 -3.132 141 HD1 HIS 20 HD1 HIS 20 7.650 0.200 -2.003 142 HD2 HIS 20 HD2 HIS 20 9.907 -2.977 -0.561 143 HE1 HIS 20 HE1 HIS 20 6.673 -0.352 0.247 144 H SER 21 H SER 21 11.947 -0.039 -0.766 145 HA SER 21 HA SER 21 10.067 1.810 0.450 146 1HB SER 21 1HB SER 21 10.690 -0.012 1.853 147 2HB SER 21 2HB SER 21 12.406 0.232 1.528 148 HG SER 21 HG SER 21 10.983 2.349 2.657 149 H GLY 22 H GLY 22 13.630 1.645 0.224 150 1HA GLY 22 1HA GLY 22 14.877 3.514 -0.692 151 2HA GLY 22 2HA GLY 22 13.636 4.583 -0.055 152 H PHE 23 H PHE 23 14.786 1.943 1.877 153 HA PHE 23 HA PHE 23 16.335 3.846 3.508 154 1HB PHE 23 1HB PHE 23 15.474 2.948 5.492 155 2HB PHE 23 2HB PHE 23 14.069 3.015 4.433 156 HD1 PHE 23 HD1 PHE 23 15.841 1.021 6.674 157 HD2 PHE 23 HD2 PHE 23 13.697 0.812 3.004 158 HE1 PHE 23 HE1 PHE 23 15.462 -1.383 7.037 159 HE2 PHE 23 HE2 PHE 23 13.313 -1.592 3.361 160 HZ PHE 23 HZ PHE 23 14.195 -2.692 5.380 161 H THR 24 H THR 24 17.827 2.620 5.076 162 HA THR 24 HA THR 24 19.249 0.577 3.512 163 HB THR 24 HB THR 24 20.320 2.267 5.780 164 HG1 THR 24 HG1 THR 24 21.400 3.373 4.030 165 1HG2 THR 24 1HG2 THR 24 21.736 0.447 5.715 166 2HG2 THR 24 2HG2 THR 24 22.508 1.514 4.541 167 3HG2 THR 24 3HG2 THR 24 21.491 0.183 3.989 168 H LEU 25 H LEU 25 20.030 -1.305 4.503 169 HA LEU 25 HA LEU 25 19.084 -1.872 7.218 170 1HB LEU 25 1HB LEU 25 17.399 -2.725 5.649 171 2HB LEU 25 2HB LEU 25 18.643 -3.680 4.845 172 HG LEU 25 HG LEU 25 18.820 -4.521 7.458 173 1HD1 LEU 25 1HD1 LEU 25 16.572 -3.152 7.622 174 2HD1 LEU 25 2HD1 LEU 25 16.771 -4.700 8.444 175 3HD1 LEU 25 3HD1 LEU 25 15.901 -4.620 6.912 176 1HD2 LEU 25 1HD2 LEU 25 18.880 -5.871 5.387 177 2HD2 LEU 25 2HD2 LEU 25 17.125 -5.729 5.275 178 3HD2 LEU 25 3HD2 LEU 25 17.857 -6.574 6.640 179 H SER 26 H SER 26 20.492 -3.010 8.423 180 HA SER 26 HA SER 26 22.853 -4.122 7.053 181 1HB SER 26 1HB SER 26 22.756 -2.110 8.995 182 2HB SER 26 2HB SER 26 23.290 -3.549 9.864 183 HG SER 26 HG SER 26 24.687 -1.997 8.206 184 H VAL 27 H VAL 27 22.484 -6.259 6.946 185 HA VAL 27 HA VAL 27 21.947 -7.662 9.475 186 HB VAL 27 HB VAL 27 19.866 -7.781 8.330 187 1HG1 VAL 27 1HG1 VAL 27 21.562 -8.267 5.924 188 2HG1 VAL 27 2HG1 VAL 27 19.913 -8.893 5.964 189 3HG1 VAL 27 3HG1 VAL 27 20.205 -7.162 6.139 190 1HG2 VAL 27 1HG2 VAL 27 21.143 -9.962 9.161 191 2HG2 VAL 27 2HG2 VAL 27 19.534 -10.029 8.442 192 3HG2 VAL 27 3HG2 VAL 27 20.953 -10.399 7.463 193 H ASP 28 H ASP 28 23.133 -9.472 9.837 194 HA ASP 28 HA ASP 28 25.570 -9.855 8.608 195 1HB ASP 28 1HB ASP 28 23.847 -11.783 10.165 196 2HB ASP 28 2HB ASP 28 25.482 -12.176 9.641 197 H ALA 29 H ALA 29 25.753 -10.110 6.459 198 HA ALA 29 HA ALA 29 23.934 -11.674 4.904 199 1HB ALA 29 1HB ALA 29 25.804 -11.325 3.137 200 2HB ALA 29 2HB ALA 29 24.862 -9.940 3.691 201 3HB ALA 29 3HB ALA 29 26.481 -10.218 4.332 202 H SER 30 H SER 30 26.428 -12.522 6.941 203 HA SER 30 HA SER 30 27.869 -14.491 5.667 204 1HB SER 30 1HB SER 30 27.812 -15.624 8.023 205 2HB SER 30 2HB SER 30 28.578 -14.046 7.840 206 HG SER 30 HG SER 30 27.210 -13.367 9.267 207 H LEU 31 H LEU 31 24.732 -14.834 7.305 208 HA LEU 31 HA LEU 31 24.476 -17.583 6.446 209 1HB LEU 31 1HB LEU 31 22.229 -16.004 7.614 210 2HB LEU 31 2HB LEU 31 22.613 -17.713 7.805 211 HG LEU 31 HG LEU 31 24.744 -16.576 9.035 212 1HD1 LEU 31 1HD1 LEU 31 23.384 -14.358 8.619 213 2HD1 LEU 31 2HD1 LEU 31 24.266 -14.626 10.122 214 3HD1 LEU 31 3HD1 LEU 31 22.523 -14.889 10.064 215 1HD2 LEU 31 1HD2 LEU 31 23.072 -18.357 9.783 216 2HD2 LEU 31 2HD2 LEU 31 22.155 -17.026 10.488 217 3HD2 LEU 31 3HD2 LEU 31 23.801 -17.350 11.034 218 H THR 32 H THR 32 23.280 -14.432 5.511 219 HA THR 32 HA THR 32 21.131 -15.143 3.900 220 HB THR 32 HB THR 32 23.099 -12.880 3.519 221 HG1 THR 32 HG1 THR 32 21.840 -11.809 4.885 222 1HG2 THR 32 1HG2 THR 32 22.089 -12.851 1.468 223 2HG2 THR 32 2HG2 THR 32 20.887 -11.942 2.383 224 3HG2 THR 32 3HG2 THR 32 20.632 -13.655 2.053 225 H ARG 33 H ARG 33 24.550 -15.431 3.329 226 HA ARG 33 HA ARG 33 24.505 -15.678 0.522 227 1HB ARG 33 1HB ARG 33 26.725 -16.458 0.689 228 2HB ARG 33 2HB ARG 33 26.529 -15.341 2.033 229 1HG ARG 33 1HG ARG 33 27.529 -17.022 3.157 230 2HG ARG 33 2HG ARG 33 25.867 -17.603 3.279 231 1HD ARG 33 1HD ARG 33 26.673 -19.501 2.404 232 2HD ARG 33 2HD ARG 33 26.645 -18.626 0.873 233 HE ARG 33 HE ARG 33 29.076 -18.113 2.184 234 1HH1 ARG 33 2HH1 ARG 33 27.387 -20.694 0.570 235 2HH1 ARG 33 1HH1 ARG 33 28.834 -21.491 0.049 236 1HH2 ARG 33 2HH2 ARG 33 30.989 -19.152 1.504 237 2HH2 ARG 33 1HH2 ARG 33 30.883 -20.614 0.581 238 H GLY 34 H GLY 34 23.341 -17.729 2.958 239 1HA GLY 34 1HA GLY 34 23.001 -19.879 0.974 240 2HA GLY 34 2HA GLY 34 23.598 -20.262 2.582 241 H LYS 35 H LYS 35 21.335 -17.713 2.457 242 HA LYS 35 HA LYS 35 19.176 -19.552 3.261 243 1HB LYS 35 1HB LYS 35 20.391 -17.379 4.721 244 2HB LYS 35 2HB LYS 35 18.682 -17.056 4.459 245 1HG LYS 35 1HG LYS 35 18.274 -19.411 5.345 246 2HG LYS 35 2HG LYS 35 19.949 -19.359 5.901 247 1HD LYS 35 1HD LYS 35 17.767 -17.412 6.648 248 2HD LYS 35 2HD LYS 35 18.412 -18.692 7.677 249 1HE LYS 35 1HE LYS 35 20.606 -17.632 7.637 250 2HE LYS 35 2HE LYS 35 19.991 -16.372 6.568 251 1HZ LYS 35 1HZ LYS 35 19.451 -15.243 8.379 252 2HZ LYS 35 2HZ LYS 35 19.855 -16.535 9.392 253 3HZ LYS 35 3HZ LYS 35 18.295 -16.423 8.746 254 H GLN 36 H GLN 36 17.035 -18.910 2.755 255 HA GLN 36 HA GLN 36 16.890 -16.947 0.565 256 1HB GLN 36 1HB GLN 36 15.034 -18.218 -0.334 257 2HB GLN 36 2HB GLN 36 16.418 -19.279 -0.103 258 1HG GLN 36 1HG GLN 36 14.328 -19.068 2.017 259 2HG GLN 36 2HG GLN 36 14.051 -20.068 0.592 260 1HE2 GLN 36 2HE2 GLN 36 15.781 -21.658 0.100 261 2HE2 GLN 36 1HE2 GLN 36 16.539 -22.457 1.430 262 H SER 37 H SER 37 14.432 -16.257 0.293 263 HA SER 37 HA SER 37 13.199 -15.730 2.886 264 1HB SER 37 1HB SER 37 14.617 -13.802 2.643 265 2HB SER 37 2HB SER 37 14.105 -13.571 0.971 266 HG SER 37 HG SER 37 12.036 -13.060 1.729 267 H ASN 38 H ASN 38 10.995 -15.311 2.793 268 HA ASN 38 HA ASN 38 9.652 -16.332 0.484 269 1HB ASN 38 1HB ASN 38 8.863 -16.697 2.824 270 2HB ASN 38 2HB ASN 38 8.453 -14.986 2.914 271 1HD2 ASN 38 2HD2 ASN 38 7.461 -18.077 1.933 272 2HD2 ASN 38 1HD2 ASN 38 5.970 -17.623 1.187 273 H GLY 39 H GLY 39 9.213 -15.203 -1.285 274 1HA GLY 39 1HA GLY 39 9.612 -12.500 -1.668 275 2HA GLY 39 2HA GLY 39 8.540 -13.484 -2.653 276 H LEU 40 H LEU 40 8.035 -10.800 -2.171 277 HA LEU 40 HA LEU 40 5.907 -10.777 -0.156 278 1HB LEU 40 1HB LEU 40 7.701 -8.986 -0.260 279 2HB LEU 40 2HB LEU 40 6.924 -8.434 -1.743 280 HG LEU 40 HG LEU 40 4.912 -7.876 -0.532 281 1HD1 LEU 40 1HD1 LEU 40 6.050 -9.623 1.457 282 2HD1 LEU 40 2HD1 LEU 40 4.399 -9.026 1.296 283 3HD1 LEU 40 3HD1 LEU 40 5.602 -8.069 2.160 284 1HD2 LEU 40 1HD2 LEU 40 7.296 -6.825 0.984 285 2HD2 LEU 40 2HD2 LEU 40 5.729 -6.042 0.778 286 3HD2 LEU 40 3HD2 LEU 40 6.798 -6.254 -0.609 287 H HIS 41 H HIS 41 3.831 -9.848 -0.692 288 HA HIS 41 HA HIS 41 3.091 -9.467 -3.437 289 1HB HIS 41 1HB HIS 41 3.094 -12.092 -2.614 290 2HB HIS 41 2HB HIS 41 1.425 -11.609 -2.327 291 HD1 HIS 41 HD1 HIS 41 -0.085 -11.618 -4.307 292 HD2 HIS 41 HD2 HIS 41 3.926 -11.652 -5.391 293 HE1 HIS 41 HE1 HIS 41 -0.066 -11.922 -6.803 294 H GLY 42 H GLY 42 2.091 -7.577 -2.984 295 1HA GLY 42 1HA GLY 42 -0.322 -6.959 -2.504 296 2HA GLY 42 2HA GLY 42 -0.006 -7.616 -0.905 297 H ASP 43 H ASP 43 -0.903 -5.196 -0.772 298 HA ASP 43 HA ASP 43 1.160 -3.194 -0.998 299 1HB ASP 43 1HB ASP 43 -1.565 -3.018 0.306 300 2HB ASP 43 2HB ASP 43 -0.513 -1.661 -0.087 301 H TYR 44 H TYR 44 2.822 -3.442 0.383 302 HA TYR 44 HA TYR 44 2.190 -3.417 3.250 303 1HB TYR 44 1HB TYR 44 4.252 -5.181 1.914 304 2HB TYR 44 2HB TYR 44 4.106 -4.959 3.654 305 HD1 TYR 44 HD1 TYR 44 3.115 -6.924 0.891 306 HD2 TYR 44 HD2 TYR 44 1.762 -5.517 4.672 307 HE1 TYR 44 HE1 TYR 44 1.474 -8.754 0.978 308 HE2 TYR 44 HE2 TYR 44 0.118 -7.343 4.769 309 HH TYR 44 HH TYR 44 -0.002 -9.843 2.272 310 H ASP 45 H ASP 45 3.256 -1.898 4.344 311 HA ASP 45 HA ASP 45 4.893 -0.013 3.048 312 1HB ASP 45 1HB ASP 45 4.510 -0.547 6.001 313 2HB ASP 45 2HB ASP 45 5.311 0.874 5.335 314 H VAL 46 H VAL 46 7.049 0.586 4.470 315 HA VAL 46 HA VAL 46 9.011 -1.191 3.571 316 HB VAL 46 HB VAL 46 9.595 1.099 3.983 317 1HG1 VAL 46 1HG1 VAL 46 9.194 0.643 6.931 318 2HG1 VAL 46 2HG1 VAL 46 9.529 2.164 6.101 319 3HG1 VAL 46 3HG1 VAL 46 7.969 1.368 5.891 320 1HG2 VAL 46 1HG2 VAL 46 11.255 -0.830 4.433 321 2HG2 VAL 46 2HG2 VAL 46 11.687 0.800 4.949 322 3HG2 VAL 46 3HG2 VAL 46 11.087 -0.367 6.127 323 H GLU 47 H GLU 47 7.670 -0.727 6.829 324 HA GLU 47 HA GLU 47 9.272 -2.785 7.999 325 1HB GLU 47 1HB GLU 47 6.817 -1.319 8.968 326 2HB GLU 47 2HB GLU 47 7.664 -2.521 9.931 327 1HG GLU 47 1HG GLU 47 9.506 -1.181 10.239 328 2HG GLU 47 2HG GLU 47 9.181 -0.222 8.796 329 H SER 48 H SER 48 5.815 -2.563 7.165 330 HA SER 48 HA SER 48 5.055 -5.127 7.892 331 1HB SER 48 1HB SER 48 3.709 -3.048 6.905 332 2HB SER 48 2HB SER 48 3.866 -3.973 5.412 333 HG SER 48 HG SER 48 3.085 -5.785 6.894 334 H GLY 49 H GLY 49 6.155 -3.996 4.694 335 1HA GLY 49 1HA GLY 49 6.073 -6.532 3.455 336 2HA GLY 49 2HA GLY 49 6.991 -5.144 2.890 337 H LEU 50 H LEU 50 8.691 -4.803 5.099 338 HA LEU 50 HA LEU 50 10.777 -6.546 4.465 339 1HB LEU 50 1HB LEU 50 11.503 -4.588 5.413 340 2HB LEU 50 2HB LEU 50 10.251 -4.600 6.654 341 HG LEU 50 HG LEU 50 11.475 -6.343 7.865 342 1HD1 LEU 50 1HD1 LEU 50 12.655 -6.929 5.499 343 2HD1 LEU 50 2HD1 LEU 50 13.263 -7.444 7.072 344 3HD1 LEU 50 3HD1 LEU 50 13.933 -6.010 6.295 345 1HD2 LEU 50 1HD2 LEU 50 12.158 -3.648 7.608 346 2HD2 LEU 50 2HD2 LEU 50 13.691 -4.521 7.607 347 3HD2 LEU 50 3HD2 LEU 50 12.557 -4.730 8.943 348 H GLN 51 H GLN 51 8.712 -6.503 7.369 349 HA GLN 51 HA GLN 51 9.791 -8.823 8.533 350 1HB GLN 51 1HB GLN 51 7.011 -7.680 8.855 351 2HB GLN 51 2HB GLN 51 7.779 -8.836 9.935 352 1HG GLN 51 1HG GLN 51 9.303 -6.372 9.482 353 2HG GLN 51 2HG GLN 51 7.758 -6.157 10.303 354 1HE2 GLN 51 2HE2 GLN 51 10.596 -8.285 10.371 355 2HE2 GLN 51 1HE2 GLN 51 10.689 -8.391 12.093 356 H GLN 52 H GLN 52 7.517 -8.368 5.975 357 HA GLN 52 HA GLN 52 6.325 -10.966 6.126 358 1HB GLN 52 1HB GLN 52 6.027 -8.581 4.518 359 2HB GLN 52 2HB GLN 52 6.032 -10.019 3.506 360 1HG GLN 52 1HG GLN 52 4.185 -9.397 5.793 361 2HG GLN 52 2HG GLN 52 3.779 -9.523 4.082 362 1HE2 GLN 52 2HE2 GLN 52 4.350 -11.698 3.103 363 2HE2 GLN 52 1HE2 GLN 52 3.950 -13.091 4.044 364 H LEU 53 H LEU 53 9.164 -9.621 4.659 365 HA LEU 53 HA LEU 53 9.590 -11.711 2.762 366 1HB LEU 53 1HB LEU 53 10.919 -9.283 3.611 367 2HB LEU 53 2HB LEU 53 12.068 -10.592 3.338 368 HG LEU 53 HG LEU 53 11.586 -10.712 1.070 369 1HD1 LEU 53 1HD1 LEU 53 9.366 -10.893 0.699 370 2HD1 LEU 53 2HD1 LEU 53 9.526 -9.186 0.291 371 3HD1 LEU 53 3HD1 LEU 53 8.952 -9.659 1.889 372 1HD2 LEU 53 1HD2 LEU 53 11.017 -7.805 1.330 373 2HD2 LEU 53 2HD2 LEU 53 12.175 -8.645 0.297 374 3HD2 LEU 53 3HD2 LEU 53 12.519 -8.428 2.014 375 H LEU 54 H LEU 54 11.190 -10.913 5.849 376 HA LEU 54 HA LEU 54 12.527 -13.464 5.923 377 1HB LEU 54 1HB LEU 54 13.785 -12.595 7.583 378 2HB LEU 54 2HB LEU 54 13.180 -11.080 6.918 379 HG LEU 54 HG LEU 54 12.957 -10.812 9.218 380 1HD1 LEU 54 1HD1 LEU 54 10.716 -10.854 7.656 381 2HD1 LEU 54 2HD1 LEU 54 10.803 -10.222 9.300 382 3HD1 LEU 54 3HD1 LEU 54 10.242 -11.870 9.018 383 1HD2 LEU 54 1HD2 LEU 54 11.426 -13.162 9.946 384 2HD2 LEU 54 2HD2 LEU 54 12.878 -12.485 10.685 385 3HD2 LEU 54 3HD2 LEU 54 13.016 -13.580 9.309 386 H ASP 55 H ASP 55 9.439 -12.488 6.606 387 HA ASP 55 HA ASP 55 8.716 -13.605 9.008 388 1HB ASP 55 1HB ASP 55 7.376 -12.670 6.719 389 2HB ASP 55 2HB ASP 55 6.748 -14.290 7.009 390 H GLY 56 H GLY 56 8.674 -15.591 9.847 391 1HA GLY 56 1HA GLY 56 7.897 -17.959 9.056 392 2HA GLY 56 2HA GLY 56 9.359 -17.836 8.088 393 H SER 57 H SER 57 10.771 -16.338 10.206 394 HA SER 57 HA SER 57 11.322 -18.624 11.978 395 1HB SER 57 1HB SER 57 13.577 -17.385 12.269 396 2HB SER 57 2HB SER 57 13.288 -18.242 10.755 397 HG SER 57 HG SER 57 12.758 -15.481 11.117 398 H GLY 58 H GLY 58 10.916 -15.121 11.850 399 1HA GLY 58 1HA GLY 58 9.913 -13.811 13.517 400 2HA GLY 58 2HA GLY 58 10.092 -15.148 14.644 401 H LEU 59 H LEU 59 11.551 -12.309 13.304 402 HA LEU 59 HA LEU 59 13.671 -12.497 15.337 403 1HB LEU 59 1HB LEU 59 13.872 -11.792 12.443 404 2HB LEU 59 2HB LEU 59 14.986 -11.059 13.595 405 HG LEU 59 HG LEU 59 15.149 -13.751 14.179 406 1HD1 LEU 59 1HD1 LEU 59 13.820 -14.028 11.997 407 2HD1 LEU 59 2HD1 LEU 59 15.281 -14.991 12.215 408 3HD1 LEU 59 3HD1 LEU 59 15.317 -13.553 11.194 409 1HD2 LEU 59 1HD2 LEU 59 17.028 -12.272 14.150 410 2HD2 LEU 59 2HD2 LEU 59 16.853 -11.999 12.416 411 3HD2 LEU 59 3HD2 LEU 59 17.348 -13.583 13.014 412 H GLN 60 H GLN 60 14.726 -10.237 15.620 413 HA GLN 60 HA GLN 60 12.536 -8.287 15.858 414 1HB GLN 60 1HB GLN 60 13.567 -7.418 17.787 415 2HB GLN 60 2HB GLN 60 13.712 -9.163 17.948 416 1HG GLN 60 1HG GLN 60 16.028 -8.583 16.684 417 2HG GLN 60 2HG GLN 60 15.786 -7.114 17.628 418 1HE2 GLN 60 2HE2 GLN 60 16.450 -10.502 17.717 419 2HE2 GLN 60 1HE2 GLN 60 16.829 -10.600 19.399 420 H VAL 61 H VAL 61 12.759 -6.237 15.083 421 HA VAL 61 HA VAL 61 15.283 -5.598 13.700 422 HB VAL 61 HB VAL 61 12.579 -4.706 12.718 423 1HG1 VAL 61 1HG1 VAL 61 14.838 -5.034 10.873 424 2HG1 VAL 61 2HG1 VAL 61 13.675 -3.715 11.025 425 3HG1 VAL 61 3HG1 VAL 61 15.065 -3.796 12.108 426 1HG2 VAL 61 1HG2 VAL 61 13.819 -7.325 12.506 427 2HG2 VAL 61 2HG2 VAL 61 12.180 -6.815 12.099 428 3HG2 VAL 61 3HG2 VAL 61 13.484 -6.607 10.930 429 H LYS 62 H LYS 62 16.201 -3.766 14.336 430 HA LYS 62 HA LYS 62 14.524 -1.598 15.376 431 1HB LYS 62 1HB LYS 62 16.365 -1.240 17.136 432 2HB LYS 62 2HB LYS 62 15.210 -2.539 17.406 433 1HG LYS 62 1HG LYS 62 17.538 -3.429 15.921 434 2HG LYS 62 2HG LYS 62 17.957 -2.743 17.493 435 1HD LYS 62 1HD LYS 62 15.790 -4.801 17.143 436 2HD LYS 62 2HD LYS 62 17.476 -5.234 17.437 437 1HE LYS 62 1HE LYS 62 16.361 -3.222 19.269 438 2HE LYS 62 2HE LYS 62 15.629 -4.822 19.382 439 1HZ LYS 62 1HZ LYS 62 17.681 -4.295 20.807 440 2HZ LYS 62 2HZ LYS 62 18.561 -4.519 19.381 441 3HZ LYS 62 3HZ LYS 62 17.622 -5.782 20.001 442 HA PRO 63 HA PRO 63 17.062 0.885 12.770 443 1HB PRO 63 1HB PRO 63 16.596 3.305 13.908 444 2HB PRO 63 2HB PRO 63 15.400 2.465 12.913 445 1HG PRO 63 1HG PRO 63 15.617 2.612 15.895 446 2HG PRO 63 2HG PRO 63 14.176 2.744 14.870 447 1HD PRO 63 1HD PRO 63 14.829 0.466 16.181 448 2HD PRO 63 2HD PRO 63 13.997 0.460 14.612 449 H LEU 64 H LEU 64 18.940 2.272 12.806 450 HA LEU 64 HA LEU 64 20.453 2.135 15.330 451 1HB LEU 64 1HB LEU 64 21.847 2.111 12.697 452 2HB LEU 64 2HB LEU 64 22.374 1.472 14.253 453 HG LEU 64 HG LEU 64 20.240 0.220 12.527 454 1HD1 LEU 64 1HD1 LEU 64 22.409 0.140 11.417 455 2HD1 LEU 64 2HD1 LEU 64 21.923 -1.459 11.977 456 3HD1 LEU 64 3HD1 LEU 64 23.137 -0.544 12.870 457 1HD2 LEU 64 1HD2 LEU 64 19.755 -0.845 14.425 458 2HD2 LEU 64 2HD2 LEU 64 21.198 -0.235 15.235 459 3HD2 LEU 64 3HD2 LEU 64 21.298 -1.676 14.223 460 H GLY 65 H GLY 65 20.722 3.707 12.132 461 1HA GLY 65 1HA GLY 65 20.950 6.291 13.530 462 2HA GLY 65 2HA GLY 65 22.149 5.834 12.329 463 H ASN 66 H ASN 66 21.817 6.521 10.323 464 HA ASN 66 HA ASN 66 19.542 8.049 9.635 465 1HB ASN 66 1HB ASN 66 22.097 7.579 8.553 466 2HB ASN 66 2HB ASN 66 20.953 7.096 7.304 467 1HD2 ASN 66 2HD2 ASN 66 18.911 8.837 7.650 468 2HD2 ASN 66 1HD2 ASN 66 19.445 10.453 7.350 469 H ASN 67 H ASN 67 17.702 6.778 9.921 470 HA ASN 67 HA ASN 67 16.179 5.103 9.504 471 1HB ASN 67 1HB ASN 67 15.585 5.007 7.060 472 2HB ASN 67 2HB ASN 67 15.647 6.632 7.736 473 1HD2 ASN 67 2HD2 ASN 67 17.487 4.270 5.883 474 2HD2 ASN 67 1HD2 ASN 67 18.410 5.423 4.987 475 H SER 68 H SER 68 18.724 4.010 10.026 476 HA SER 68 HA SER 68 18.937 1.807 8.095 477 1HB SER 68 1HB SER 68 20.946 1.972 10.243 478 2HB SER 68 2HB SER 68 21.164 1.735 8.509 479 HG SER 68 HG SER 68 21.349 4.008 9.972 480 H TRP 69 H TRP 69 17.958 -0.025 8.600 481 HA TRP 69 HA TRP 69 17.443 -0.625 11.432 482 1HB TRP 69 1HB TRP 69 16.106 -1.755 8.963 483 2HB TRP 69 2HB TRP 69 15.668 -2.116 10.630 484 HD1 TRP 69 HD1 TRP 69 16.093 1.197 8.625 485 HE1 TRP 69 HE1 TRP 69 14.070 2.696 9.157 486 HE3 TRP 69 HE3 TRP 69 13.607 -1.905 11.839 487 HZ2 TRP 69 HZ2 TRP 69 11.729 2.579 10.730 488 HZ3 TRP 69 HZ3 TRP 69 11.483 -1.136 12.814 489 HH2 TRP 69 HH2 TRP 69 10.565 1.060 12.271 490 H THR 70 H THR 70 17.724 -2.789 12.195 491 HA THR 70 HA THR 70 19.466 -4.490 10.554 492 HB THR 70 HB THR 70 20.883 -3.155 12.110 493 HG1 THR 70 HG1 THR 70 20.950 -5.829 13.003 494 1HG2 THR 70 1HG2 THR 70 19.341 -2.918 13.970 495 2HG2 THR 70 2HG2 THR 70 20.811 -3.725 14.515 496 3HG2 THR 70 3HG2 THR 70 19.345 -4.662 14.228 497 H LEU 71 H LEU 71 19.365 -6.705 11.010 498 HA LEU 71 HA LEU 71 16.982 -7.496 12.527 499 1HB LEU 71 1HB LEU 71 18.346 -8.493 10.125 500 2HB LEU 71 2HB LEU 71 17.782 -9.746 11.228 501 HG LEU 71 HG LEU 71 16.187 -9.240 9.407 502 1HD1 LEU 71 1HD1 LEU 71 15.366 -8.710 12.250 503 2HD1 LEU 71 2HD1 LEU 71 15.261 -10.218 11.343 504 3HD1 LEU 71 3HD1 LEU 71 14.205 -8.867 10.932 505 1HD2 LEU 71 1HD2 LEU 71 16.556 -6.907 9.066 506 2HD2 LEU 71 2HD2 LEU 71 16.117 -6.535 10.733 507 3HD2 LEU 71 3HD2 LEU 71 14.889 -7.112 9.605 508 H GLU 72 H GLU 72 17.209 -8.428 14.443 509 HA GLU 72 HA GLU 72 19.749 -9.796 15.048 510 1HB GLU 72 1HB GLU 72 19.666 -7.746 16.313 511 2HB GLU 72 2HB GLU 72 18.032 -8.096 16.860 512 1HG GLU 72 1HG GLU 72 18.965 -10.122 18.015 513 2HG GLU 72 2HG GLU 72 20.571 -9.502 17.635 514 HA PRO 73 HA PRO 73 17.263 -13.359 15.811 515 1HB PRO 73 1HB PRO 73 19.082 -14.801 17.219 516 2HB PRO 73 2HB PRO 73 19.183 -14.573 15.469 517 1HG PRO 73 1HG PRO 73 20.639 -13.135 17.654 518 2HG PRO 73 2HG PRO 73 21.259 -13.741 16.107 519 1HD PRO 73 1HD PRO 73 20.636 -11.136 16.507 520 2HD PRO 73 2HD PRO 73 20.450 -11.931 14.930 521 H ALA 74 H ALA 74 15.791 -13.868 17.317 522 HA ALA 74 HA ALA 74 16.205 -12.853 20.049 523 1HB ALA 74 1HB ALA 74 14.042 -12.567 18.261 524 2HB ALA 74 2HB ALA 74 13.490 -13.599 19.582 525 3HB ALA 74 3HB ALA 74 14.160 -12.004 19.929 526 HA PRO 75 HA PRO 75 16.098 -16.873 21.802 527 1HB PRO 75 1HB PRO 75 14.620 -16.496 24.048 528 2HB PRO 75 2HB PRO 75 16.265 -15.876 23.865 529 1HG PRO 75 1HG PRO 75 13.656 -14.448 23.532 530 2HG PRO 75 2HG PRO 75 15.137 -13.898 24.337 531 1HD PRO 75 1HD PRO 75 14.462 -13.115 21.834 532 2HD PRO 75 2HD PRO 75 16.149 -13.314 22.350 533 H ALA 76 H ALA 76 14.722 -18.683 22.425 534 HA ALA 76 HA ALA 76 12.672 -19.221 20.662 535 1HB ALA 76 1HB ALA 76 12.073 -20.774 22.886 536 2HB ALA 76 2HB ALA 76 13.128 -21.212 21.542 537 3HB ALA 76 3HB ALA 76 13.809 -20.487 22.998 538 HA PRO 77 HA PRO 77 9.003 -17.301 22.110 539 1HB PRO 77 1HB PRO 77 7.128 -19.214 21.666 540 2HB PRO 77 2HB PRO 77 7.901 -18.305 20.362 541 1HG PRO 77 1HG PRO 77 8.518 -21.052 21.379 542 2HG PRO 77 2HG PRO 77 8.419 -20.475 19.705 543 1HD PRO 77 1HD PRO 77 10.777 -20.821 20.990 544 2HD PRO 77 2HD PRO 77 10.535 -19.562 19.762 545 H LYS 78 H LYS 78 7.180 -17.478 23.647 546 HA LYS 78 HA LYS 78 7.909 -19.169 25.946 547 1HB LYS 78 1HB LYS 78 6.588 -17.417 27.260 548 2HB LYS 78 2HB LYS 78 8.156 -16.933 26.629 549 1HG LYS 78 1HG LYS 78 7.213 -15.603 24.965 550 2HG LYS 78 2HG LYS 78 5.636 -16.384 25.107 551 1HD LYS 78 1HD LYS 78 6.784 -14.907 27.440 552 2HD LYS 78 2HD LYS 78 6.012 -14.013 26.127 553 1HE LYS 78 1HE LYS 78 4.692 -16.304 27.567 554 2HE LYS 78 2HE LYS 78 4.524 -14.624 28.072 555 1HZ LYS 78 1HZ LYS 78 3.152 -14.163 26.375 556 2HZ LYS 78 2HZ LYS 78 2.885 -15.833 26.350 557 3HZ LYS 78 3HZ LYS 78 3.987 -15.137 25.271 558 H GLU 79 H GLU 79 6.662 -20.942 25.205 559 HA GLU 79 HA GLU 79 4.811 -22.263 25.162 560 1HB GLU 79 1HB GLU 79 4.483 -20.852 27.375 561 2HB GLU 79 2HB GLU 79 3.148 -20.154 26.468 562 1HG GLU 79 1HG GLU 79 2.251 -22.427 26.113 563 2HG GLU 79 2HG GLU 79 3.545 -23.063 27.126 564 H ASP 80 H ASP 80 5.288 -20.920 22.862 565 HA ASP 80 HA ASP 80 2.594 -20.590 21.805 566 1HB ASP 80 1HB ASP 80 3.348 -18.303 22.391 567 2HB ASP 80 2HB ASP 80 4.750 -18.517 21.346 568 H ALA 81 H ALA 81 2.425 -21.842 20.078 569 HA ALA 81 HA ALA 81 4.799 -22.225 18.374 570 1HB ALA 81 1HB ALA 81 4.291 -24.214 19.790 571 2HB ALA 81 2HB ALA 81 2.741 -24.346 18.959 572 3HB ALA 81 3HB ALA 81 4.244 -24.529 18.055 573 H LEU 82 H LEU 82 4.255 -20.877 16.723 574 HA LEU 82 HA LEU 82 1.852 -21.600 15.198 575 1HB LEU 82 1HB LEU 82 2.775 -18.805 15.844 576 2HB LEU 82 2HB LEU 82 1.529 -19.196 14.661 577 HG LEU 82 HG LEU 82 1.241 -20.035 17.525 578 1HD1 LEU 82 1HD1 LEU 82 1.618 -17.727 17.786 579 2HD1 LEU 82 2HD1 LEU 82 -0.135 -17.919 17.771 580 3HD1 LEU 82 3HD1 LEU 82 0.699 -17.330 16.333 581 1HD2 LEU 82 1HD2 LEU 82 -0.281 -21.006 15.898 582 2HD2 LEU 82 2HD2 LEU 82 -0.720 -19.398 15.322 583 3HD2 LEU 82 3HD2 LEU 82 -1.143 -19.894 16.961 584 H THR 83 H THR 83 3.912 -22.783 14.311 585 HA THR 83 HA THR 83 4.829 -21.195 12.019 586 HB THR 83 HB THR 83 6.662 -21.250 13.684 587 HG1 THR 83 HG1 THR 83 8.227 -22.010 12.182 588 1HG2 THR 83 1HG2 THR 83 5.864 -23.959 13.950 589 2HG2 THR 83 2HG2 THR 83 7.124 -23.099 14.835 590 3HG2 THR 83 3HG2 THR 83 7.519 -23.946 13.341 591 H VAL 84 H VAL 84 5.627 -22.534 10.224 592 HA VAL 84 HA VAL 84 4.270 -25.150 10.164 593 HB VAL 84 HB VAL 84 4.857 -23.354 7.808 594 1HG1 VAL 84 1HG1 VAL 84 4.771 -25.676 7.176 595 2HG1 VAL 84 2HG1 VAL 84 3.263 -25.901 8.065 596 3HG1 VAL 84 3HG1 VAL 84 3.297 -24.876 6.630 597 1HG2 VAL 84 1HG2 VAL 84 2.593 -23.467 9.685 598 2HG2 VAL 84 2HG2 VAL 84 3.154 -22.146 8.660 599 3HG2 VAL 84 3HG2 VAL 84 2.161 -23.433 7.976 600 H VAL 85 H VAL 85 5.358 -26.920 9.435 601 HA VAL 85 HA VAL 85 8.250 -26.638 9.172 602 HB VAL 85 HB VAL 85 6.630 -29.183 9.313 603 1HG1 VAL 85 1HG1 VAL 85 8.627 -29.982 8.629 604 2HG1 VAL 85 2HG1 VAL 85 9.505 -28.545 9.156 605 3HG1 VAL 85 3HG1 VAL 85 9.051 -29.782 10.328 606 1HG2 VAL 85 1HG2 VAL 85 7.180 -27.246 11.349 607 2HG2 VAL 85 2HG2 VAL 85 6.277 -28.756 11.465 608 3HG2 VAL 85 3HG2 VAL 85 8.022 -28.751 11.719 609 H GLY 86 H GLY 86 9.420 -27.242 7.388 610 1HA GLY 86 1HA GLY 86 9.232 -28.710 5.296 611 2HA GLY 86 2HA GLY 86 7.836 -27.702 4.945 612 H ASP 87 H ASP 87 11.238 -27.996 4.779 613 HA ASP 87 HA ASP 87 11.388 -25.343 3.511 614 1HB ASP 87 1HB ASP 87 13.549 -26.627 5.196 615 2HB ASP 87 2HB ASP 87 13.654 -25.065 4.389 616 H TRP 88 H TRP 88 13.371 -25.168 2.071 617 HA TRP 88 HA TRP 88 13.415 -27.514 0.351 618 1HB TRP 88 1HB TRP 88 14.877 -24.959 -0.236 619 2HB TRP 88 2HB TRP 88 14.159 -26.110 -1.360 620 HD1 TRP 88 HD1 TRP 88 13.532 -22.813 0.098 621 HE1 TRP 88 HE1 TRP 88 11.088 -22.090 -0.264 622 HE3 TRP 88 HE3 TRP 88 11.555 -27.312 -1.310 623 HZ2 TRP 88 HZ2 TRP 88 8.646 -23.271 -1.044 624 HZ3 TRP 88 HZ3 TRP 88 9.156 -27.430 -1.847 625 HH2 TRP 88 HH2 TRP 88 7.733 -25.451 -1.715 626 H LEU 89 H LEU 89 15.833 -27.359 -0.881 627 HA LEU 89 HA LEU 89 17.556 -28.568 1.073 628 1HB LEU 89 1HB LEU 89 17.207 -29.079 -1.489 629 2HB LEU 89 2HB LEU 89 18.491 -27.885 -1.671 630 HG LEU 89 HG LEU 89 19.433 -30.101 -1.718 631 1HD1 LEU 89 1HD1 LEU 89 20.178 -29.227 1.019 632 2HD1 LEU 89 2HD1 LEU 89 20.428 -28.094 -0.309 633 3HD1 LEU 89 3HD1 LEU 89 21.199 -29.680 -0.346 634 1HD2 LEU 89 1HD2 LEU 89 17.493 -30.602 0.326 635 2HD2 LEU 89 2HD2 LEU 89 19.099 -31.033 0.917 636 3HD2 LEU 89 3HD2 LEU 89 18.485 -31.749 -0.575 637 H GLY 90 H GLY 90 17.594 -25.599 -0.861 638 1HA GLY 90 1HA GLY 90 18.897 -23.710 -0.722 639 2HA GLY 90 2HA GLY 90 18.850 -24.005 1.010 640 H ASP 91 H ASP 91 20.563 -24.975 -1.945 641 HA ASP 91 HA ASP 91 23.038 -25.067 -0.363 642 1HB ASP 91 1HB ASP 91 23.778 -27.007 -1.755 643 2HB ASP 91 2HB ASP 91 22.417 -27.371 -0.697 644 H ALA 92 H ALA 92 24.156 -23.372 -1.087 645 HA ALA 92 HA ALA 92 24.572 -23.138 -3.986 646 1HB ALA 92 1HB ALA 92 23.010 -21.422 -3.570 647 2HB ALA 92 2HB ALA 92 23.831 -20.926 -2.089 648 3HB ALA 92 3HB ALA 92 24.582 -20.627 -3.657 649 H ARG 93 H ARG 93 26.443 -21.510 -4.394 650 HA ARG 93 HA ARG 93 28.561 -22.005 -2.404 651 1HB ARG 93 1HB ARG 93 30.153 -22.108 -4.316 652 2HB ARG 93 2HB ARG 93 28.974 -23.413 -4.314 653 1HG ARG 93 1HG ARG 93 27.634 -22.048 -5.954 654 2HG ARG 93 2HG ARG 93 29.036 -20.984 -6.079 655 1HD ARG 93 1HD ARG 93 30.393 -23.014 -6.673 656 2HD ARG 93 2HD ARG 93 28.878 -23.911 -6.770 657 HE ARG 93 HE ARG 93 29.905 -22.028 -8.684 658 1HH1 ARG 93 2HH1 ARG 93 27.046 -23.569 -7.431 659 2HH1 ARG 93 1HH1 ARG 93 26.130 -23.344 -8.884 660 1HH2 ARG 93 2HH2 ARG 93 28.710 -21.727 -10.603 661 2HH2 ARG 93 1HH2 ARG 93 27.077 -22.297 -10.688 662 H GLU 94 H GLU 94 30.090 -20.379 -2.083 663 HA GLU 94 HA GLU 94 30.041 -17.940 -3.585 664 1HB GLU 94 1HB GLU 94 28.039 -17.959 -1.860 665 2HB GLU 94 2HB GLU 94 29.308 -17.539 -0.718 666 1HG GLU 94 1HG GLU 94 29.810 -15.537 -1.861 667 2HG GLU 94 2HG GLU 94 28.848 -16.011 -3.260 668 H ASN 95 H ASN 95 31.694 -16.453 -2.934 669 HA ASN 95 HA ASN 95 33.851 -17.789 -1.471 670 1HB ASN 95 1HB ASN 95 35.264 -15.944 -2.494 671 2HB ASN 95 2HB ASN 95 34.551 -17.083 -3.633 672 1HD2 ASN 95 2HD2 ASN 95 35.064 -13.888 -2.973 673 2HD2 ASN 95 1HD2 ASN 95 33.865 -13.193 -4.005 674 H ASP 96 H ASP 96 34.703 -17.006 0.379 675 HA ASP 96 HA ASP 96 33.829 -14.367 1.321 676 1HB ASP 96 1HB ASP 96 33.828 -16.854 3.043 677 2HB ASP 96 2HB ASP 96 33.346 -15.233 3.537 678 H LEU 97 H LEU 97 35.103 -13.743 3.354 679 HA LEU 97 HA LEU 97 37.893 -14.640 3.046 680 1HB LEU 97 1HB LEU 97 38.511 -12.334 3.813 681 2HB LEU 97 2HB LEU 97 37.780 -12.433 2.212 682 HG LEU 97 HG LEU 97 36.038 -11.805 4.549 683 1HD1 LEU 97 1HD1 LEU 97 38.286 -10.373 4.350 684 2HD1 LEU 97 2HD1 LEU 97 36.740 -9.674 4.830 685 3HD1 LEU 97 3HD1 LEU 97 37.298 -9.519 3.164 686 1HD2 LEU 97 1HD2 LEU 97 35.239 -10.216 2.569 687 2HD2 LEU 97 2HD2 LEU 97 34.720 -11.897 2.702 688 3HD2 LEU 97 3HD2 LEU 97 36.032 -11.463 1.606 689 H GLU 98 H GLU 98 39.241 -14.158 5.031 690 HA GLU 98 HA GLU 98 37.673 -14.825 7.433 691 1HB GLU 98 1HB GLU 98 40.337 -15.717 6.437 692 2HB GLU 98 2HB GLU 98 40.107 -15.594 8.175 693 1HG GLU 98 1HG GLU 98 39.602 -17.809 7.672 694 2HG GLU 98 2HG GLU 98 38.031 -17.026 7.838 695 H HIS 99 H HIS 99 38.607 -14.073 9.503 696 HA HIS 99 HA HIS 99 39.685 -11.356 9.191 697 1HB HIS 99 1HB HIS 99 38.790 -11.010 11.519 698 2HB HIS 99 2HB HIS 99 37.563 -11.320 10.295 699 HD1 HIS 99 HD1 HIS 99 36.028 -13.263 10.685 700 HD2 HIS 99 HD2 HIS 99 39.308 -13.285 13.236 701 HE1 HIS 99 HE1 HIS 99 35.576 -15.096 12.346 702 H HIS 100 H HIS 100 41.338 -10.617 10.584 703 HA HIS 100 HA HIS 100 42.809 -12.711 12.030 704 1HB HIS 100 1HB HIS 100 43.723 -12.025 9.673 705 2HB HIS 100 2HB HIS 100 44.297 -10.591 10.519 706 HD1 HIS 100 HD1 HIS 100 44.517 -14.367 10.988 707 HD2 HIS 100 HD2 HIS 100 46.779 -10.923 11.522 708 HE1 HIS 100 HE1 HIS 100 46.762 -15.156 11.801 709 H HIS 101 H HIS 101 44.318 -11.871 13.643 710 HA HIS 101 HA HIS 101 44.320 -9.148 14.422 711 1HB HIS 101 1HB HIS 101 41.994 -9.714 15.066 712 2HB HIS 101 2HB HIS 101 42.613 -10.982 16.119 713 HD1 HIS 101 HD1 HIS 101 42.870 -10.299 18.476 714 HD2 HIS 101 HD2 HIS 101 43.129 -7.052 15.896 715 HE1 HIS 101 HE1 HIS 101 43.110 -8.281 19.957 716 H HIS 102 H HIS 102 45.625 -8.755 16.284 717 HA HIS 102 HA HIS 102 46.865 -10.994 17.630 718 1HB HIS 102 1HB HIS 102 48.253 -9.419 15.519 719 2HB HIS 102 2HB HIS 102 49.176 -9.837 16.959 720 HD1 HIS 102 HD1 HIS 102 49.250 -10.982 13.842 721 HD2 HIS 102 HD2 HIS 102 48.107 -12.919 17.336 722 HE1 HIS 102 HE1 HIS 102 49.526 -13.437 13.371 723 H HIS 103 H HIS 103 48.744 -10.058 19.075 724 HA HIS 103 HA HIS 103 48.588 -7.352 19.891 725 1HB HIS 103 1HB HIS 103 47.603 -7.851 22.185 726 2HB HIS 103 2HB HIS 103 46.468 -7.824 20.839 727 HD1 HIS 103 HD1 HIS 103 44.747 -9.491 21.501 728 HD2 HIS 103 HD2 HIS 103 48.607 -10.926 22.047 729 HE1 HIS 103 HE1 HIS 103 44.480 -11.902 22.166 730 H HIS 104 H HIS 104 49.546 -7.222 22.292 731 HA HIS 104 HA HIS 104 52.131 -8.402 22.115 732 1HB HIS 104 1HB HIS 104 51.368 -6.150 23.214 733 2HB HIS 104 2HB HIS 104 51.095 -7.153 24.636 734 HD1 HIS 104 HD1 HIS 104 53.248 -8.402 25.597 735 HD2 HIS 104 HD2 HIS 104 53.979 -5.451 22.765 736 HE1 HIS 104 HE1 HIS 104 55.696 -7.865 25.802 Start of MODEL 7 1 1H ALA 1 H ALA 1 0.320 1.540 -2.411 2 HA ALA 1 HA ALA 1 2.603 0.750 -2.643 3 1HB ALA 1 1HB ALA 1 2.203 -0.593 -0.126 4 2HB ALA 1 2HB ALA 1 3.003 0.942 -0.466 5 3HB ALA 1 3HB ALA 1 1.260 0.896 -0.202 6 H GLN 2 H GLN 2 0.800 -1.170 -3.979 7 HA GLN 2 HA GLN 2 1.199 -3.797 -3.139 8 1HB GLN 2 1HB GLN 2 -0.151 -2.651 -5.180 9 2HB GLN 2 2HB GLN 2 1.217 -3.320 -6.059 10 1HG GLN 2 1HG GLN 2 0.322 -5.334 -4.314 11 2HG GLN 2 2HG GLN 2 -1.112 -4.636 -5.065 12 1HE2 GLN 2 2HE2 GLN 2 1.774 -6.464 -5.547 13 2HE2 GLN 2 1HE2 GLN 2 1.466 -6.923 -7.184 14 H VAL 3 H VAL 3 2.936 -5.052 -3.036 15 HA VAL 3 HA VAL 3 5.193 -4.529 -4.839 16 HB VAL 3 HB VAL 3 5.493 -5.018 -1.873 17 1HG1 VAL 3 1HG1 VAL 3 7.529 -4.537 -4.044 18 2HG1 VAL 3 2HG1 VAL 3 7.887 -4.557 -2.316 19 3HG1 VAL 3 3HG1 VAL 3 7.302 -6.017 -3.113 20 1HG2 VAL 3 1HG2 VAL 3 5.160 -2.824 -1.666 21 2HG2 VAL 3 2HG2 VAL 3 6.691 -2.603 -2.514 22 3HG2 VAL 3 3HG2 VAL 3 5.174 -2.583 -3.413 23 H ASN 4 H ASN 4 5.578 -6.323 -5.943 24 HA ASN 4 HA ASN 4 5.168 -8.917 -4.605 25 1HB ASN 4 1HB ASN 4 4.741 -9.836 -6.894 26 2HB ASN 4 2HB ASN 4 3.535 -8.669 -6.359 27 1HD2 ASN 4 2HD2 ASN 4 3.636 -6.526 -7.209 28 2HD2 ASN 4 1HD2 ASN 4 4.346 -6.238 -8.757 29 H ILE 5 H ILE 5 7.010 -9.922 -4.187 30 HA ILE 5 HA ILE 5 9.248 -9.604 -6.079 31 HB ILE 5 HB ILE 5 9.447 -9.967 -3.087 32 1HG1 ILE 5 1HG1 ILE 5 10.332 -7.576 -4.694 33 2HG1 ILE 5 2HG1 ILE 5 8.713 -7.689 -4.012 34 1HG2 ILE 5 1HG2 ILE 5 11.271 -11.078 -4.187 35 2HG2 ILE 5 2HG2 ILE 5 11.567 -9.670 -5.207 36 3HG2 ILE 5 3HG2 ILE 5 11.869 -9.581 -3.472 37 1HD1 ILE 5 1HD1 ILE 5 11.217 -7.921 -2.370 38 2HD1 ILE 5 2HD1 ILE 5 10.365 -6.403 -2.652 39 3HD1 ILE 5 3HD1 ILE 5 9.561 -7.720 -1.800 40 H ALA 6 H ALA 6 10.274 -11.416 -6.756 41 HA ALA 6 HA ALA 6 9.037 -13.959 -6.093 42 1HB ALA 6 1HB ALA 6 11.330 -13.772 -7.976 43 2HB ALA 6 2HB ALA 6 9.871 -14.760 -8.063 44 3HB ALA 6 3HB ALA 6 9.796 -13.040 -8.447 45 HA PRO 7 HA PRO 7 12.155 -15.018 -3.131 46 1HB PRO 7 1HB PRO 7 11.504 -17.642 -2.886 47 2HB PRO 7 2HB PRO 7 10.549 -16.344 -2.159 48 1HG PRO 7 1HG PRO 7 10.071 -17.852 -4.700 49 2HG PRO 7 2HG PRO 7 8.912 -17.381 -3.444 50 1HD PRO 7 1HD PRO 7 9.179 -16.015 -5.767 51 2HD PRO 7 2HD PRO 7 8.735 -15.225 -4.240 52 H GLY 8 H GLY 8 13.402 -17.432 -2.941 53 1HA GLY 8 1HA GLY 8 14.695 -19.012 -4.197 54 2HA GLY 8 2HA GLY 8 14.622 -17.922 -5.573 55 H SER 9 H SER 9 15.212 -16.255 -2.709 56 HA SER 9 HA SER 9 17.946 -16.631 -2.293 57 1HB SER 9 1HB SER 9 17.251 -14.871 -4.572 58 2HB SER 9 2HB SER 9 18.464 -14.244 -3.457 59 HG SER 9 HG SER 9 19.459 -16.427 -3.746 60 H LEU 10 H LEU 10 18.006 -16.009 -0.244 61 HA LEU 10 HA LEU 10 16.227 -14.306 1.028 62 1HB LEU 10 1HB LEU 10 17.981 -15.956 1.978 63 2HB LEU 10 2HB LEU 10 19.066 -14.568 1.946 64 HG LEU 10 HG LEU 10 16.436 -14.363 3.353 65 1HD1 LEU 10 1HD1 LEU 10 18.939 -15.608 4.481 66 2HD1 LEU 10 2HD1 LEU 10 17.394 -16.414 4.213 67 3HD1 LEU 10 3HD1 LEU 10 17.521 -15.132 5.418 68 1HD2 LEU 10 1HD2 LEU 10 18.467 -12.597 2.882 69 2HD2 LEU 10 2HD2 LEU 10 18.866 -13.200 4.491 70 3HD2 LEU 10 3HD2 LEU 10 17.288 -12.469 4.189 71 H ASP 11 H ASP 11 19.595 -13.550 0.119 72 HA ASP 11 HA ASP 11 19.532 -10.844 0.762 73 1HB ASP 11 1HB ASP 11 21.573 -10.662 -0.329 74 2HB ASP 11 2HB ASP 11 21.509 -12.385 0.029 75 H LYS 12 H LYS 12 18.510 -12.510 -2.160 76 HA LYS 12 HA LYS 12 18.168 -10.263 -3.812 77 1HB LYS 12 1HB LYS 12 18.172 -12.534 -4.698 78 2HB LYS 12 2HB LYS 12 16.698 -12.906 -3.812 79 1HG LYS 12 1HG LYS 12 16.144 -12.516 -6.104 80 2HG LYS 12 2HG LYS 12 15.521 -11.176 -5.139 81 1HD LYS 12 1HD LYS 12 16.513 -9.900 -6.705 82 2HD LYS 12 2HD LYS 12 17.982 -10.242 -5.789 83 1HE LYS 12 1HE LYS 12 18.858 -11.305 -7.531 84 2HE LYS 12 2HE LYS 12 17.477 -12.398 -7.595 85 1HZ LYS 12 1HZ LYS 12 18.130 -10.665 -9.532 86 2HZ LYS 12 2HZ LYS 12 16.984 -9.764 -8.675 87 3HZ LYS 12 3HZ LYS 12 16.573 -11.283 -9.295 88 H ALA 13 H ALA 13 15.727 -12.063 -1.931 89 HA ALA 13 HA ALA 13 13.571 -10.376 -2.423 90 1HB ALA 13 1HB ALA 13 12.665 -11.288 -0.250 91 2HB ALA 13 2HB ALA 13 13.142 -12.488 -1.451 92 3HB ALA 13 3HB ALA 13 14.194 -12.151 -0.076 93 H LEU 14 H LEU 14 16.193 -10.089 -0.117 94 HA LEU 14 HA LEU 14 15.053 -8.052 1.484 95 1HB LEU 14 1HB LEU 14 16.819 -9.046 2.535 96 2HB LEU 14 2HB LEU 14 17.770 -9.169 1.057 97 HG LEU 14 HG LEU 14 18.279 -6.767 1.205 98 1HD1 LEU 14 1HD1 LEU 14 16.425 -5.855 2.331 99 2HD1 LEU 14 2HD1 LEU 14 17.787 -5.670 3.435 100 3HD1 LEU 14 3HD1 LEU 14 16.610 -6.957 3.696 101 1HD2 LEU 14 1HD2 LEU 14 19.651 -6.927 3.341 102 2HD2 LEU 14 2HD2 LEU 14 19.928 -8.170 2.120 103 3HD2 LEU 14 3HD2 LEU 14 18.949 -8.532 3.542 104 H ASN 15 H ASN 15 17.470 -7.890 -1.133 105 HA ASN 15 HA ASN 15 17.631 -5.088 -1.222 106 1HB ASN 15 1HB ASN 15 18.053 -6.932 -3.577 107 2HB ASN 15 2HB ASN 15 18.796 -5.361 -3.293 108 1HD2 ASN 15 2HD2 ASN 15 19.843 -8.164 -3.676 109 2HD2 ASN 15 1HD2 ASN 15 20.945 -8.387 -2.364 110 H GLN 16 H GLN 16 15.407 -7.351 -2.693 111 HA GLN 16 HA GLN 16 14.278 -5.707 -4.649 112 1HB GLN 16 1HB GLN 16 13.099 -7.963 -3.029 113 2HB GLN 16 2HB GLN 16 12.238 -7.177 -4.345 114 1HG GLN 16 1HG GLN 16 14.939 -8.112 -5.008 115 2HG GLN 16 2HG GLN 16 13.777 -9.378 -4.615 116 1HE2 GLN 16 2HE2 GLN 16 14.350 -9.830 -6.947 117 2HE2 GLN 16 1HE2 GLN 16 13.338 -9.105 -8.145 118 H TYR 17 H TYR 17 13.082 -6.344 -1.348 119 HA TYR 17 HA TYR 17 11.114 -4.276 -1.501 120 1HB TYR 17 1HB TYR 17 10.388 -5.024 0.542 121 2HB TYR 17 2HB TYR 17 11.268 -6.454 0.014 122 HD1 TYR 17 HD1 TYR 17 13.253 -7.170 1.139 123 HD2 TYR 17 HD2 TYR 17 11.385 -3.504 2.221 124 HE1 TYR 17 HE1 TYR 17 14.651 -7.061 3.160 125 HE2 TYR 17 HE2 TYR 17 12.778 -3.384 4.244 126 HH TYR 17 HH TYR 17 15.043 -5.984 5.072 127 H ALA 18 H ALA 18 14.382 -4.530 -0.262 128 HA ALA 18 HA ALA 18 14.497 -2.249 1.328 129 1HB ALA 18 1HB ALA 18 16.641 -3.530 -0.359 130 2HB ALA 18 2HB ALA 18 16.937 -2.271 0.841 131 3HB ALA 18 3HB ALA 18 16.294 -3.835 1.344 132 H ALA 19 H ALA 19 15.027 -2.604 -2.161 133 HA ALA 19 HA ALA 19 15.599 0.184 -2.543 134 1HB ALA 19 1HB ALA 19 15.423 -2.218 -4.245 135 2HB ALA 19 2HB ALA 19 15.068 -0.680 -5.033 136 3HB ALA 19 3HB ALA 19 16.618 -0.921 -4.226 137 H HIS 20 H HIS 20 12.761 -1.784 -2.471 138 HA HIS 20 HA HIS 20 11.086 -0.015 -3.974 139 1HB HIS 20 1HB HIS 20 10.647 -2.438 -2.277 140 2HB HIS 20 2HB HIS 20 9.267 -1.422 -2.682 141 HD1 HIS 20 HD1 HIS 20 10.011 -0.755 -5.610 142 HD2 HIS 20 HD2 HIS 20 10.199 -4.554 -3.938 143 HE1 HIS 20 HE1 HIS 20 9.850 -2.351 -7.547 144 H SER 21 H SER 21 12.101 -0.253 -0.668 145 HA SER 21 HA SER 21 10.019 1.522 0.298 146 1HB SER 21 1HB SER 21 12.413 0.280 1.672 147 2HB SER 21 2HB SER 21 11.230 1.308 2.481 148 HG SER 21 HG SER 21 10.265 -0.859 1.019 149 H GLY 22 H GLY 22 13.586 1.624 0.479 150 1HA GLY 22 1HA GLY 22 14.675 3.588 -0.593 151 2HA GLY 22 2HA GLY 22 13.393 4.553 0.124 152 H PHE 23 H PHE 23 14.702 1.946 1.968 153 HA PHE 23 HA PHE 23 16.243 3.875 3.576 154 1HB PHE 23 1HB PHE 23 15.462 2.939 5.569 155 2HB PHE 23 2HB PHE 23 14.029 2.942 4.548 156 HD1 PHE 23 HD1 PHE 23 15.934 1.031 6.744 157 HD2 PHE 23 HD2 PHE 23 13.740 0.724 3.110 158 HE1 PHE 23 HE1 PHE 23 15.678 -1.389 7.107 159 HE2 PHE 23 HE2 PHE 23 13.479 -1.696 3.468 160 HZ PHE 23 HZ PHE 23 14.448 -2.756 5.469 161 H THR 24 H THR 24 17.844 2.709 5.056 162 HA THR 24 HA THR 24 19.263 0.708 3.436 163 HB THR 24 HB THR 24 20.435 2.340 5.689 164 HG1 THR 24 HG1 THR 24 20.168 3.945 4.315 165 1HG2 THR 24 1HG2 THR 24 21.972 0.686 5.316 166 2HG2 THR 24 2HG2 THR 24 22.487 1.835 4.082 167 3HG2 THR 24 3HG2 THR 24 21.481 0.457 3.638 168 H LEU 25 H LEU 25 20.150 -1.142 4.397 169 HA LEU 25 HA LEU 25 19.349 -1.729 7.153 170 1HB LEU 25 1HB LEU 25 17.621 -2.640 5.661 171 2HB LEU 25 2HB LEU 25 18.858 -3.564 4.811 172 HG LEU 25 HG LEU 25 19.144 -4.346 7.453 173 1HD1 LEU 25 1HD1 LEU 25 16.840 -3.117 7.646 174 2HD1 LEU 25 2HD1 LEU 25 17.096 -4.675 8.430 175 3HD1 LEU 25 3HD1 LEU 25 16.227 -4.592 6.898 176 1HD2 LEU 25 1HD2 LEU 25 19.169 -5.638 5.249 177 2HD2 LEU 25 2HD2 LEU 25 17.423 -5.785 5.456 178 3HD2 LEU 25 3HD2 LEU 25 18.516 -6.461 6.666 179 H SER 26 H SER 26 20.795 -2.921 8.287 180 HA SER 26 HA SER 26 23.145 -3.922 6.814 181 1HB SER 26 1HB SER 26 22.982 -2.027 8.969 182 2HB SER 26 2HB SER 26 23.880 -3.447 9.504 183 HG SER 26 HG SER 26 25.439 -2.992 8.138 184 H VAL 27 H VAL 27 22.816 -6.067 6.704 185 HA VAL 27 HA VAL 27 22.442 -7.501 9.246 186 HB VAL 27 HB VAL 27 20.307 -7.661 8.212 187 1HG1 VAL 27 1HG1 VAL 27 21.872 -8.154 5.708 188 2HG1 VAL 27 2HG1 VAL 27 20.201 -8.706 5.847 189 3HG1 VAL 27 3HG1 VAL 27 20.581 -6.991 6.007 190 1HG2 VAL 27 1HG2 VAL 27 21.759 -10.200 7.485 191 2HG2 VAL 27 2HG2 VAL 27 21.308 -9.759 9.132 192 3HG2 VAL 27 3HG2 VAL 27 20.058 -10.023 7.916 193 H ASP 28 H ASP 28 23.680 -9.293 9.527 194 HA ASP 28 HA ASP 28 26.063 -9.608 8.182 195 1HB ASP 28 1HB ASP 28 24.442 -11.524 9.843 196 2HB ASP 28 2HB ASP 28 25.991 -11.997 9.151 197 H ALA 29 H ALA 29 26.251 -9.910 6.054 198 HA ALA 29 HA ALA 29 24.365 -11.343 4.480 199 1HB ALA 29 1HB ALA 29 27.023 -11.018 3.309 200 2HB ALA 29 2HB ALA 29 25.452 -10.456 2.736 201 3HB ALA 29 3HB ALA 29 26.335 -9.525 3.946 202 H SER 30 H SER 30 27.016 -12.307 6.394 203 HA SER 30 HA SER 30 28.059 -14.497 5.078 204 1HB SER 30 1HB SER 30 27.503 -14.266 8.046 205 2HB SER 30 2HB SER 30 28.641 -15.383 7.293 206 HG SER 30 HG SER 30 30.026 -13.823 7.467 207 H LEU 31 H LEU 31 25.208 -14.386 7.197 208 HA LEU 31 HA LEU 31 24.568 -17.152 6.645 209 1HB LEU 31 1HB LEU 31 22.647 -15.300 7.961 210 2HB LEU 31 2HB LEU 31 22.986 -16.996 8.299 211 HG LEU 31 HG LEU 31 25.327 -15.855 9.049 212 1HD1 LEU 31 1HD1 LEU 31 24.060 -13.617 8.565 213 2HD1 LEU 31 2HD1 LEU 31 25.089 -13.775 9.988 214 3HD1 LEU 31 3HD1 LEU 31 23.339 -13.924 10.145 215 1HD2 LEU 31 1HD2 LEU 31 24.011 -17.456 10.333 216 2HD2 LEU 31 2HD2 LEU 31 22.852 -16.191 10.742 217 3HD2 LEU 31 3HD2 LEU 31 24.509 -16.096 11.341 218 H THR 32 H THR 32 23.404 -13.961 5.721 219 HA THR 32 HA THR 32 21.030 -14.649 4.456 220 HB THR 32 HB THR 32 22.987 -12.487 3.651 221 HG1 THR 32 HG1 THR 32 22.329 -12.008 5.682 222 1HG2 THR 32 1HG2 THR 32 21.604 -11.989 1.978 223 2HG2 THR 32 2HG2 THR 32 20.278 -11.804 3.125 224 3HG2 THR 32 3HG2 THR 32 20.597 -13.375 2.393 225 H ARG 33 H ARG 33 24.317 -14.519 3.110 226 HA ARG 33 HA ARG 33 23.726 -15.132 0.470 227 1HB ARG 33 1HB ARG 33 26.014 -15.757 0.220 228 2HB ARG 33 2HB ARG 33 25.964 -14.456 1.403 229 1HG ARG 33 1HG ARG 33 27.277 -15.786 2.621 230 2HG ARG 33 2HG ARG 33 25.787 -16.653 2.999 231 1HD ARG 33 1HD ARG 33 27.108 -18.383 2.280 232 2HD ARG 33 2HD ARG 33 26.330 -17.919 0.767 233 HE ARG 33 HE ARG 33 28.798 -16.543 1.194 234 1HH1 ARG 33 2HH1 ARG 33 27.389 -19.529 0.091 235 2HH1 ARG 33 1HH1 ARG 33 28.726 -19.933 -0.935 236 1HH2 ARG 33 2HH2 ARG 33 30.564 -17.062 -0.154 237 2HH2 ARG 33 1HH2 ARG 33 30.531 -18.529 -1.073 238 H GLY 34 H GLY 34 23.170 -16.932 -0.616 239 1HA GLY 34 1HA GLY 34 22.948 -19.218 -1.046 240 2HA GLY 34 2HA GLY 34 23.553 -19.557 0.568 241 H LYS 35 H LYS 35 21.892 -18.392 2.259 242 HA LYS 35 HA LYS 35 19.669 -20.049 2.359 243 1HB LYS 35 1HB LYS 35 20.714 -17.822 3.874 244 2HB LYS 35 2HB LYS 35 18.961 -17.726 3.771 245 1HG LYS 35 1HG LYS 35 18.676 -19.427 5.181 246 2HG LYS 35 2HG LYS 35 19.918 -20.404 4.394 247 1HD LYS 35 1HD LYS 35 20.532 -19.914 6.702 248 2HD LYS 35 2HD LYS 35 21.654 -19.144 5.578 249 1HE LYS 35 1HE LYS 35 21.092 -17.604 7.353 250 2HE LYS 35 2HE LYS 35 20.412 -17.030 5.832 251 1HZ LYS 35 1HZ LYS 35 18.862 -16.851 7.713 252 2HZ LYS 35 2HZ LYS 35 18.894 -18.533 7.894 253 3HZ LYS 35 3HZ LYS 35 18.265 -17.846 6.482 254 H GLN 36 H GLN 36 17.382 -19.510 2.231 255 HA GLN 36 HA GLN 36 16.830 -17.513 0.135 256 1HB GLN 36 1HB GLN 36 15.357 -20.103 0.643 257 2HB GLN 36 2HB GLN 36 15.007 -18.945 -0.633 258 1HG GLN 36 1HG GLN 36 16.896 -19.505 -1.842 259 2HG GLN 36 2HG GLN 36 17.710 -20.196 -0.440 260 1HE2 GLN 36 2HE2 GLN 36 18.082 -22.235 -1.010 261 2HE2 GLN 36 1HE2 GLN 36 16.884 -23.356 -1.551 262 H SER 37 H SER 37 14.298 -17.090 0.130 263 HA SER 37 HA SER 37 13.040 -17.049 2.700 264 1HB SER 37 1HB SER 37 14.403 -15.219 3.259 265 2HB SER 37 2HB SER 37 14.336 -14.553 1.628 266 HG SER 37 HG SER 37 12.218 -13.940 1.991 267 H ASN 38 H ASN 38 10.884 -16.226 2.626 268 HA ASN 38 HA ASN 38 9.637 -16.616 0.078 269 1HB ASN 38 1HB ASN 38 8.689 -16.088 2.863 270 2HB ASN 38 2HB ASN 38 7.574 -15.812 1.528 271 1HD2 ASN 38 2HD2 ASN 38 7.109 -17.592 0.115 272 2HD2 ASN 38 1HD2 ASN 38 7.199 -19.211 0.713 273 H GLY 39 H GLY 39 9.229 -15.133 -1.421 274 1HA GLY 39 1HA GLY 39 9.990 -12.439 -1.164 275 2HA GLY 39 2HA GLY 39 8.998 -13.098 -2.456 276 H LEU 40 H LEU 40 8.037 -10.885 -2.226 277 HA LEU 40 HA LEU 40 6.041 -10.818 -0.063 278 1HB LEU 40 1HB LEU 40 7.641 -8.933 -0.136 279 2HB LEU 40 2HB LEU 40 7.059 -8.537 -1.751 280 HG LEU 40 HG LEU 40 4.869 -7.985 -0.851 281 1HD1 LEU 40 1HD1 LEU 40 5.870 -9.412 1.449 282 2HD1 LEU 40 2HD1 LEU 40 4.218 -8.957 1.036 283 3HD1 LEU 40 3HD1 LEU 40 5.255 -7.821 1.897 284 1HD2 LEU 40 1HD2 LEU 40 6.904 -6.379 -0.829 285 2HD2 LEU 40 2HD2 LEU 40 6.821 -6.573 0.923 286 3HD2 LEU 40 3HD2 LEU 40 5.437 -5.926 0.040 287 H HIS 41 H HIS 41 3.919 -9.940 -0.615 288 HA HIS 41 HA HIS 41 3.127 -9.790 -3.370 289 1HB HIS 41 1HB HIS 41 3.245 -12.331 -2.481 290 2HB HIS 41 2HB HIS 41 1.619 -11.912 -1.950 291 HD1 HIS 41 HD1 HIS 41 -0.158 -12.230 -3.642 292 HD2 HIS 41 HD2 HIS 41 3.587 -11.803 -5.389 293 HE1 HIS 41 HE1 HIS 41 -0.520 -12.591 -6.104 294 H GLY 42 H GLY 42 2.102 -7.886 -3.049 295 1HA GLY 42 1HA GLY 42 -0.282 -7.219 -2.604 296 2HA GLY 42 2HA GLY 42 -0.006 -7.828 -0.978 297 H ASP 43 H ASP 43 -0.860 -5.463 -0.773 298 HA ASP 43 HA ASP 43 1.215 -3.458 -1.066 299 1HB ASP 43 1HB ASP 43 -1.415 -3.042 0.334 300 2HB ASP 43 2HB ASP 43 -0.424 -1.862 -0.519 301 H TYR 44 H TYR 44 2.747 -3.214 0.408 302 HA TYR 44 HA TYR 44 2.061 -3.274 3.234 303 1HB TYR 44 1HB TYR 44 4.205 -5.053 2.056 304 2HB TYR 44 2HB TYR 44 3.946 -4.789 3.777 305 HD1 TYR 44 HD1 TYR 44 2.975 -6.682 0.886 306 HD2 TYR 44 HD2 TYR 44 1.735 -5.516 4.786 307 HE1 TYR 44 HE1 TYR 44 1.358 -8.534 0.919 308 HE2 TYR 44 HE2 TYR 44 0.115 -7.366 4.830 309 HH TYR 44 HH TYR 44 -1.114 -8.774 3.217 310 H ASP 45 H ASP 45 3.086 -1.710 4.307 311 HA ASP 45 HA ASP 45 4.690 0.183 3.019 312 1HB ASP 45 1HB ASP 45 4.352 -0.390 5.969 313 2HB ASP 45 2HB ASP 45 5.161 1.035 5.323 314 H VAL 46 H VAL 46 6.884 0.833 4.249 315 HA VAL 46 HA VAL 46 8.840 -0.928 3.346 316 HB VAL 46 HB VAL 46 9.426 1.359 3.684 317 1HG1 VAL 46 1HG1 VAL 46 9.034 1.005 6.648 318 2HG1 VAL 46 2HG1 VAL 46 9.380 2.497 5.772 319 3HG1 VAL 46 3HG1 VAL 46 7.816 1.704 5.582 320 1HG2 VAL 46 1HG2 VAL 46 11.172 -0.404 4.080 321 2HG2 VAL 46 2HG2 VAL 46 11.507 1.160 4.822 322 3HG2 VAL 46 3HG2 VAL 46 10.911 -0.173 5.809 323 H GLU 47 H GLU 47 7.664 -0.402 6.663 324 HA GLU 47 HA GLU 47 9.322 -2.451 7.773 325 1HB GLU 47 1HB GLU 47 7.636 -0.388 8.758 326 2HB GLU 47 2HB GLU 47 7.068 -1.903 9.447 327 1HG GLU 47 1HG GLU 47 9.780 -0.649 9.694 328 2HG GLU 47 2HG GLU 47 8.630 -1.039 10.972 329 H SER 48 H SER 48 5.833 -2.203 7.109 330 HA SER 48 HA SER 48 5.047 -4.710 7.966 331 1HB SER 48 1HB SER 48 3.939 -2.612 6.332 332 2HB SER 48 2HB SER 48 3.545 -4.184 5.636 333 HG SER 48 HG SER 48 1.972 -3.785 7.110 334 H GLY 49 H GLY 49 6.111 -3.771 4.697 335 1HA GLY 49 1HA GLY 49 5.951 -6.379 3.607 336 2HA GLY 49 2HA GLY 49 6.855 -5.033 2.928 337 H LEU 50 H LEU 50 8.550 -4.631 5.219 338 HA LEU 50 HA LEU 50 10.693 -6.275 4.565 339 1HB LEU 50 1HB LEU 50 11.398 -4.408 5.654 340 2HB LEU 50 2HB LEU 50 10.047 -4.426 6.785 341 HG LEU 50 HG LEU 50 11.139 -6.186 8.077 342 1HD1 LEU 50 1HD1 LEU 50 12.595 -6.608 5.729 343 2HD1 LEU 50 2HD1 LEU 50 12.782 -7.440 7.273 344 3HD1 LEU 50 3HD1 LEU 50 13.762 -6.018 6.913 345 1HD2 LEU 50 1HD2 LEU 50 12.087 -3.506 7.736 346 2HD2 LEU 50 2HD2 LEU 50 13.433 -4.560 8.168 347 3HD2 LEU 50 3HD2 LEU 50 12.007 -4.483 9.203 348 H GLN 51 H GLN 51 8.589 -6.466 7.438 349 HA GLN 51 HA GLN 51 9.720 -8.868 8.411 350 1HB GLN 51 1HB GLN 51 6.960 -7.753 8.938 351 2HB GLN 51 2HB GLN 51 7.802 -8.951 9.912 352 1HG GLN 51 1HG GLN 51 9.292 -6.466 9.524 353 2HG GLN 51 2HG GLN 51 7.768 -6.274 10.389 354 1HE2 GLN 51 2HE2 GLN 51 10.795 -8.072 10.348 355 2HE2 GLN 51 1HE2 GLN 51 10.850 -8.376 12.047 356 H GLN 52 H GLN 52 7.316 -8.187 6.017 357 HA GLN 52 HA GLN 52 6.073 -10.753 6.018 358 1HB GLN 52 1HB GLN 52 5.765 -8.265 4.630 359 2HB GLN 52 2HB GLN 52 5.823 -9.572 3.455 360 1HG GLN 52 1HG GLN 52 3.913 -9.257 5.753 361 2HG GLN 52 2HG GLN 52 3.549 -9.202 4.029 362 1HE2 GLN 52 2HE2 GLN 52 4.657 -11.323 2.962 363 2HE2 GLN 52 1HE2 GLN 52 4.092 -12.789 3.683 364 H LEU 53 H LEU 53 8.911 -9.406 4.535 365 HA LEU 53 HA LEU 53 9.221 -11.440 2.547 366 1HB LEU 53 1HB LEU 53 10.745 -9.117 3.515 367 2HB LEU 53 2HB LEU 53 11.717 -10.433 2.861 368 HG LEU 53 HG LEU 53 11.429 -9.121 1.002 369 1HD1 LEU 53 1HD1 LEU 53 10.448 -11.473 0.756 370 2HD1 LEU 53 2HD1 LEU 53 10.063 -10.284 -0.488 371 3HD1 LEU 53 3HD1 LEU 53 8.876 -10.674 0.757 372 1HD2 LEU 53 1HD2 LEU 53 10.015 -7.437 1.995 373 2HD2 LEU 53 2HD2 LEU 53 8.631 -8.530 1.961 374 3HD2 LEU 53 3HD2 LEU 53 9.328 -7.941 0.451 375 H LEU 54 H LEU 54 10.911 -10.748 5.610 376 HA LEU 54 HA LEU 54 12.267 -13.290 5.549 377 1HB LEU 54 1HB LEU 54 13.607 -12.420 7.115 378 2HB LEU 54 2HB LEU 54 12.843 -10.894 6.674 379 HG LEU 54 HG LEU 54 12.218 -12.643 9.046 380 1HD1 LEU 54 1HD1 LEU 54 13.157 -9.785 8.861 381 2HD1 LEU 54 2HD1 LEU 54 14.188 -11.170 9.219 382 3HD1 LEU 54 3HD1 LEU 54 12.898 -10.719 10.334 383 1HD2 LEU 54 1HD2 LEU 54 10.122 -11.900 8.888 384 2HD2 LEU 54 2HD2 LEU 54 10.538 -10.749 7.617 385 3HD2 LEU 54 3HD2 LEU 54 10.767 -10.314 9.312 386 H ASP 55 H ASP 55 9.184 -12.424 6.276 387 HA ASP 55 HA ASP 55 8.465 -13.540 8.662 388 1HB ASP 55 1HB ASP 55 6.310 -13.528 7.885 389 2HB ASP 55 2HB ASP 55 7.056 -12.525 6.643 390 H GLY 56 H GLY 56 8.297 -15.530 9.534 391 1HA GLY 56 1HA GLY 56 7.775 -17.934 8.996 392 2HA GLY 56 2HA GLY 56 9.059 -17.801 7.803 393 H SER 57 H SER 57 10.326 -15.969 10.033 394 HA SER 57 HA SER 57 11.517 -18.218 11.520 395 1HB SER 57 1HB SER 57 13.517 -16.561 11.706 396 2HB SER 57 2HB SER 57 13.268 -17.425 10.189 397 HG SER 57 HG SER 57 12.212 -14.844 10.680 398 H GLY 58 H GLY 58 10.197 -14.992 11.673 399 1HA GLY 58 1HA GLY 58 9.358 -13.812 13.463 400 2HA GLY 58 2HA GLY 58 9.587 -15.254 14.442 401 H LEU 59 H LEU 59 11.273 -12.460 13.074 402 HA LEU 59 HA LEU 59 13.176 -12.627 15.318 403 1HB LEU 59 1HB LEU 59 13.564 -12.137 12.443 404 2HB LEU 59 2HB LEU 59 14.457 -11.060 13.516 405 HG LEU 59 HG LEU 59 15.015 -13.521 14.576 406 1HD1 LEU 59 1HD1 LEU 59 13.846 -14.239 12.266 407 2HD1 LEU 59 2HD1 LEU 59 15.144 -15.157 13.030 408 3HD1 LEU 59 3HD1 LEU 59 15.510 -14.039 11.717 409 1HD2 LEU 59 1HD2 LEU 59 16.523 -11.583 14.042 410 2HD2 LEU 59 2HD2 LEU 59 16.616 -12.201 12.393 411 3HD2 LEU 59 3HD2 LEU 59 17.211 -13.178 13.736 412 H GLN 60 H GLN 60 14.272 -10.338 15.587 413 HA GLN 60 HA GLN 60 12.121 -8.325 15.599 414 1HB GLN 60 1HB GLN 60 13.350 -7.444 17.683 415 2HB GLN 60 2HB GLN 60 12.356 -8.885 17.857 416 1HG GLN 60 1HG GLN 60 14.187 -9.619 18.948 417 2HG GLN 60 2HG GLN 60 14.675 -10.065 17.314 418 1HE2 GLN 60 2HE2 GLN 60 16.785 -9.958 18.554 419 2HE2 GLN 60 1HE2 GLN 60 17.622 -8.447 18.515 420 H VAL 61 H VAL 61 12.564 -6.535 14.506 421 HA VAL 61 HA VAL 61 15.353 -5.995 13.762 422 HB VAL 61 HB VAL 61 12.906 -4.705 12.565 423 1HG1 VAL 61 1HG1 VAL 61 15.680 -5.097 11.450 424 2HG1 VAL 61 2HG1 VAL 61 14.363 -4.172 10.727 425 3HG1 VAL 61 3HG1 VAL 61 15.112 -3.619 12.225 426 1HG2 VAL 61 1HG2 VAL 61 13.762 -7.430 12.331 427 2HG2 VAL 61 2HG2 VAL 61 12.377 -6.630 11.587 428 3HG2 VAL 61 3HG2 VAL 61 13.944 -6.612 10.779 429 H LYS 62 H LYS 62 16.305 -4.006 14.097 430 HA LYS 62 HA LYS 62 14.793 -1.901 15.420 431 1HB LYS 62 1HB LYS 62 16.455 -1.720 17.254 432 2HB LYS 62 2HB LYS 62 15.532 -3.216 17.308 433 1HG LYS 62 1HG LYS 62 18.016 -3.438 15.796 434 2HG LYS 62 2HG LYS 62 18.250 -3.011 17.492 435 1HD LYS 62 1HD LYS 62 16.415 -4.967 17.748 436 2HD LYS 62 2HD LYS 62 17.235 -5.506 16.281 437 1HE LYS 62 1HE LYS 62 18.333 -6.518 18.141 438 2HE LYS 62 2HE LYS 62 19.402 -5.271 17.502 439 1HZ LYS 62 1HZ LYS 62 18.520 -5.542 20.104 440 2HZ LYS 62 2HZ LYS 62 17.706 -4.191 19.494 441 3HZ LYS 62 3HZ LYS 62 19.396 -4.249 19.452 442 HA PRO 63 HA PRO 63 17.419 0.540 12.847 443 1HB PRO 63 1HB PRO 63 16.928 2.957 13.984 444 2HB PRO 63 2HB PRO 63 15.764 2.131 12.941 445 1HG PRO 63 1HG PRO 63 15.873 2.258 15.930 446 2HG PRO 63 2HG PRO 63 14.471 2.406 14.854 447 1HD PRO 63 1HD PRO 63 15.060 0.115 16.172 448 2HD PRO 63 2HD PRO 63 14.286 0.126 14.574 449 H LEU 64 H LEU 64 19.305 1.909 12.959 450 HA LEU 64 HA LEU 64 20.768 1.630 15.502 451 1HB LEU 64 1HB LEU 64 22.183 1.982 12.905 452 2HB LEU 64 2HB LEU 64 22.719 1.172 14.375 453 HG LEU 64 HG LEU 64 20.664 0.076 12.456 454 1HD1 LEU 64 1HD1 LEU 64 22.875 0.196 11.427 455 2HD1 LEU 64 2HD1 LEU 64 22.411 -1.472 11.757 456 3HD1 LEU 64 3HD1 LEU 64 23.569 -0.655 12.807 457 1HD2 LEU 64 1HD2 LEU 64 20.153 -1.208 14.211 458 2HD2 LEU 64 2HD2 LEU 64 21.573 -0.687 15.118 459 3HD2 LEU 64 3HD2 LEU 64 21.710 -1.989 13.936 460 H GLY 65 H GLY 65 20.779 3.615 12.530 461 1HA GLY 65 1HA GLY 65 21.284 5.962 14.255 462 2HA GLY 65 2HA GLY 65 22.053 5.758 12.688 463 H ASN 66 H ASN 66 21.164 6.845 11.073 464 HA ASN 66 HA ASN 66 18.829 8.373 11.352 465 1HB ASN 66 1HB ASN 66 20.573 8.975 9.760 466 2HB ASN 66 2HB ASN 66 20.276 7.503 8.840 467 1HD2 ASN 66 2HD2 ASN 66 18.942 7.637 7.184 468 2HD2 ASN 66 1HD2 ASN 66 17.808 8.909 6.898 469 H ASN 67 H ASN 67 19.103 6.076 8.687 470 HA ASN 67 HA ASN 67 16.494 4.949 9.454 471 1HB ASN 67 1HB ASN 67 16.871 6.616 7.305 472 2HB ASN 67 2HB ASN 67 17.032 5.025 6.568 473 1HD2 ASN 67 2HD2 ASN 67 15.284 3.471 7.750 474 2HD2 ASN 67 1HD2 ASN 67 13.672 4.076 7.604 475 H SER 68 H SER 68 19.226 3.965 9.883 476 HA SER 68 HA SER 68 19.397 1.680 8.071 477 1HB SER 68 1HB SER 68 21.449 1.373 9.873 478 2HB SER 68 2HB SER 68 21.577 2.213 8.328 479 HG SER 68 HG SER 68 21.873 3.214 10.764 480 H TRP 69 H TRP 69 18.394 -0.142 8.566 481 HA TRP 69 HA TRP 69 17.887 -0.749 11.403 482 1HB TRP 69 1HB TRP 69 16.376 -1.688 8.955 483 2HB TRP 69 2HB TRP 69 16.000 -2.126 10.619 484 HD1 TRP 69 HD1 TRP 69 16.512 1.278 8.795 485 HE1 TRP 69 HE1 TRP 69 14.601 2.844 9.514 486 HE3 TRP 69 HE3 TRP 69 14.010 -1.885 11.937 487 HZ2 TRP 69 HZ2 TRP 69 12.332 2.752 11.191 488 HZ3 TRP 69 HZ3 TRP 69 11.978 -1.068 13.060 489 HH2 TRP 69 HH2 TRP 69 11.159 1.203 12.694 490 H THR 70 H THR 70 18.094 -2.929 12.110 491 HA THR 70 HA THR 70 19.642 -4.693 10.343 492 HB THR 70 HB THR 70 21.218 -3.507 11.850 493 HG1 THR 70 HG1 THR 70 21.011 -6.238 12.605 494 1HG2 THR 70 1HG2 THR 70 19.771 -3.169 13.772 495 2HG2 THR 70 2HG2 THR 70 21.204 -4.077 14.252 496 3HG2 THR 70 3HG2 THR 70 19.666 -4.910 14.027 497 H LEU 71 H LEU 71 19.516 -6.929 10.852 498 HA LEU 71 HA LEU 71 17.087 -7.616 12.345 499 1HB LEU 71 1HB LEU 71 18.474 -8.712 9.996 500 2HB LEU 71 2HB LEU 71 17.828 -9.915 11.109 501 HG LEU 71 HG LEU 71 16.288 -9.421 9.262 502 1HD1 LEU 71 1HD1 LEU 71 15.410 -8.611 12.024 503 2HD1 LEU 71 2HD1 LEU 71 15.295 -10.203 11.274 504 3HD1 LEU 71 3HD1 LEU 71 14.296 -8.875 10.682 505 1HD2 LEU 71 1HD2 LEU 71 16.811 -7.143 8.778 506 2HD2 LEU 71 2HD2 LEU 71 16.360 -6.634 10.406 507 3HD2 LEU 71 3HD2 LEU 71 15.123 -7.209 9.287 508 H GLU 72 H GLU 72 17.242 -8.527 14.279 509 HA GLU 72 HA GLU 72 19.646 -10.095 14.920 510 1HB GLU 72 1HB GLU 72 19.877 -7.895 15.963 511 2HB GLU 72 2HB GLU 72 18.301 -8.073 16.721 512 1HG GLU 72 1HG GLU 72 19.192 -10.061 17.934 513 2HG GLU 72 2HG GLU 72 20.784 -9.672 17.284 514 HA PRO 73 HA PRO 73 16.705 -13.153 16.132 515 1HB PRO 73 1HB PRO 73 18.377 -14.743 17.563 516 2HB PRO 73 2HB PRO 73 18.392 -14.676 15.797 517 1HG PRO 73 1HG PRO 73 20.193 -13.311 17.760 518 2HG PRO 73 2HG PRO 73 20.608 -14.129 16.243 519 1HD PRO 73 1HD PRO 73 20.414 -11.436 16.439 520 2HD PRO 73 2HD PRO 73 20.004 -12.317 14.953 521 H ALA 74 H ALA 74 15.207 -12.886 17.652 522 HA ALA 74 HA ALA 74 15.777 -11.597 20.149 523 1HB ALA 74 1HB ALA 74 13.581 -11.209 20.213 524 2HB ALA 74 2HB ALA 74 13.531 -11.889 18.586 525 3HB ALA 74 3HB ALA 74 13.188 -12.913 19.980 526 HA PRO 75 HA PRO 75 16.621 -15.098 22.671 527 1HB PRO 75 1HB PRO 75 15.732 -14.182 25.067 528 2HB PRO 75 2HB PRO 75 17.219 -13.601 24.308 529 1HG PRO 75 1HG PRO 75 14.498 -12.354 24.344 530 2HG PRO 75 2HG PRO 75 16.082 -11.589 24.567 531 1HD PRO 75 1HD PRO 75 14.732 -11.489 22.221 532 2HD PRO 75 2HD PRO 75 16.505 -11.517 22.302 533 H ALA 76 H ALA 76 15.598 -16.686 24.107 534 HA ALA 76 HA ALA 76 13.239 -17.725 23.125 535 1HB ALA 76 1HB ALA 76 13.991 -19.399 24.372 536 2HB ALA 76 2HB ALA 76 15.035 -18.311 25.286 537 3HB ALA 76 3HB ALA 76 13.366 -18.566 25.795 538 HA PRO 77 HA PRO 77 9.874 -15.537 24.898 539 1HB PRO 77 1HB PRO 77 8.118 -17.528 25.465 540 2HB PRO 77 2HB PRO 77 8.475 -17.003 23.816 541 1HG PRO 77 1HG PRO 77 9.549 -19.351 25.331 542 2HG PRO 77 2HG PRO 77 9.003 -19.261 23.646 543 1HD PRO 77 1HD PRO 77 11.621 -19.201 24.334 544 2HD PRO 77 2HD PRO 77 10.985 -18.335 22.921 545 H LYS 78 H LYS 78 8.495 -15.311 26.838 546 HA LYS 78 HA LYS 78 9.960 -16.167 29.237 547 1HB LYS 78 1HB LYS 78 7.882 -13.991 29.121 548 2HB LYS 78 2HB LYS 78 9.115 -14.253 30.347 549 1HG LYS 78 1HG LYS 78 10.848 -13.581 28.823 550 2HG LYS 78 2HG LYS 78 9.686 -13.463 27.499 551 1HD LYS 78 1HD LYS 78 9.622 -11.801 30.017 552 2HD LYS 78 2HD LYS 78 10.266 -11.264 28.464 553 1HE LYS 78 1HE LYS 78 8.230 -10.679 27.798 554 2HE LYS 78 2HE LYS 78 7.651 -12.324 28.057 555 1HZ LYS 78 1HZ LYS 78 7.918 -10.954 30.525 556 2HZ LYS 78 2HZ LYS 78 6.545 -11.671 29.846 557 3HZ LYS 78 3HZ LYS 78 6.935 -10.069 29.471 558 H GLU 79 H GLU 79 7.713 -17.520 27.585 559 HA GLU 79 HA GLU 79 6.483 -18.838 29.755 560 1HB GLU 79 1HB GLU 79 5.292 -16.444 29.386 561 2HB GLU 79 2HB GLU 79 4.362 -17.417 28.255 562 1HG GLU 79 1HG GLU 79 3.316 -17.280 30.466 563 2HG GLU 79 2HG GLU 79 3.725 -18.934 30.014 564 H ASP 80 H ASP 80 4.739 -20.355 28.996 565 HA ASP 80 HA ASP 80 5.602 -21.593 26.550 566 1HB ASP 80 1HB ASP 80 3.239 -22.395 28.251 567 2HB ASP 80 2HB ASP 80 4.165 -23.407 27.145 568 H ALA 81 H ALA 81 4.820 -21.213 24.594 569 HA ALA 81 HA ALA 81 2.028 -20.347 24.312 570 1HB ALA 81 1HB ALA 81 4.376 -19.049 22.933 571 2HB ALA 81 2HB ALA 81 2.676 -18.684 22.635 572 3HB ALA 81 3HB ALA 81 3.391 -18.333 24.209 573 H LEU 82 H LEU 82 1.587 -20.240 21.766 574 HA LEU 82 HA LEU 82 2.308 -22.900 20.780 575 1HB LEU 82 1HB LEU 82 0.039 -21.030 20.322 576 2HB LEU 82 2HB LEU 82 0.458 -22.170 19.045 577 HG LEU 82 HG LEU 82 -1.351 -23.036 20.407 578 1HD1 LEU 82 1HD1 LEU 82 0.906 -24.390 19.681 579 2HD1 LEU 82 2HD1 LEU 82 -0.574 -25.129 20.292 580 3HD1 LEU 82 3HD1 LEU 82 0.764 -24.795 21.392 581 1HD2 LEU 82 1HD2 LEU 82 -0.882 -21.849 22.476 582 2HD2 LEU 82 2HD2 LEU 82 0.584 -22.801 22.709 583 3HD2 LEU 82 3HD2 LEU 82 -0.995 -23.585 22.770 584 H THR 83 H THR 83 4.116 -22.872 19.599 585 HA THR 83 HA THR 83 4.303 -20.887 17.431 586 HB THR 83 HB THR 83 5.935 -20.270 19.123 587 HG1 THR 83 HG1 THR 83 7.350 -21.578 17.034 588 1HG2 THR 83 1HG2 THR 83 6.674 -23.169 18.955 589 2HG2 THR 83 2HG2 THR 83 6.394 -22.169 20.380 590 3HG2 THR 83 3HG2 THR 83 7.873 -21.971 19.441 591 H VAL 84 H VAL 84 5.605 -21.586 15.589 592 HA VAL 84 HA VAL 84 5.446 -24.504 15.215 593 HB VAL 84 HB VAL 84 5.418 -23.964 12.758 594 1HG1 VAL 84 1HG1 VAL 84 3.366 -24.593 13.728 595 2HG1 VAL 84 2HG1 VAL 84 3.200 -23.052 14.572 596 3HG1 VAL 84 3HG1 VAL 84 3.022 -23.122 12.818 597 1HG2 VAL 84 1HG2 VAL 84 4.902 -21.161 13.748 598 2HG2 VAL 84 2HG2 VAL 84 6.368 -21.704 12.932 599 3HG2 VAL 84 3HG2 VAL 84 4.829 -21.706 12.073 600 H VAL 85 H VAL 85 7.045 -25.391 13.629 601 HA VAL 85 HA VAL 85 9.684 -24.199 14.143 602 HB VAL 85 HB VAL 85 9.004 -27.038 13.360 603 1HG1 VAL 85 1HG1 VAL 85 11.607 -25.664 13.971 604 2HG1 VAL 85 2HG1 VAL 85 11.413 -27.415 14.062 605 3HG1 VAL 85 3HG1 VAL 85 11.162 -26.578 12.530 606 1HG2 VAL 85 1HG2 VAL 85 8.326 -26.274 15.677 607 2HG2 VAL 85 2HG2 VAL 85 9.410 -27.664 15.605 608 3HG2 VAL 85 3HG2 VAL 85 10.046 -26.070 16.012 609 H GLY 86 H GLY 86 7.443 -25.056 11.660 610 1HA GLY 86 1HA GLY 86 7.551 -24.132 9.479 611 2HA GLY 86 2HA GLY 86 9.290 -23.963 9.665 612 H ASP 87 H ASP 87 8.304 -24.998 7.352 613 HA ASP 87 HA ASP 87 9.175 -27.798 7.537 614 1HB ASP 87 1HB ASP 87 6.809 -26.759 5.965 615 2HB ASP 87 2HB ASP 87 7.494 -28.370 5.771 616 H TRP 88 H TRP 88 9.306 -28.570 5.018 617 HA TRP 88 HA TRP 88 10.338 -26.582 3.237 618 1HB TRP 88 1HB TRP 88 12.182 -27.127 5.024 619 2HB TRP 88 2HB TRP 88 12.399 -28.591 4.068 620 HD1 TRP 88 HD1 TRP 88 13.737 -28.386 1.842 621 HE1 TRP 88 HE1 TRP 88 14.940 -26.451 0.646 622 HE3 TRP 88 HE3 TRP 88 11.965 -24.483 4.628 623 HZ2 TRP 88 HZ2 TRP 88 15.116 -23.641 0.856 624 HZ3 TRP 88 HZ3 TRP 88 12.700 -22.203 4.066 625 HH2 TRP 88 HH2 TRP 88 14.243 -21.793 2.219 626 H LEU 89 H LEU 89 11.261 -27.613 1.233 627 HA LEU 89 HA LEU 89 10.803 -30.373 0.727 628 1HB LEU 89 1HB LEU 89 8.477 -29.626 0.800 629 2HB LEU 89 2HB LEU 89 8.826 -28.412 -0.430 630 HG LEU 89 HG LEU 89 9.302 -30.222 -2.039 631 1HD1 LEU 89 1HD1 LEU 89 8.661 -32.518 -1.477 632 2HD1 LEU 89 2HD1 LEU 89 8.372 -32.024 0.191 633 3HD1 LEU 89 3HD1 LEU 89 10.000 -31.948 -0.481 634 1HD2 LEU 89 1HD2 LEU 89 6.805 -29.405 -1.011 635 2HD2 LEU 89 2HD2 LEU 89 6.688 -31.133 -1.346 636 3HD2 LEU 89 3HD2 LEU 89 7.173 -30.018 -2.624 637 H GLY 90 H GLY 90 11.907 -31.014 -1.048 638 1HA GLY 90 1HA GLY 90 12.343 -29.441 -3.350 639 2HA GLY 90 2HA GLY 90 13.732 -29.294 -2.283 640 H ASP 91 H ASP 91 11.699 -31.667 -3.954 641 HA ASP 91 HA ASP 91 14.088 -33.369 -4.227 642 1HB ASP 91 1HB ASP 91 12.461 -34.314 -2.591 643 2HB ASP 91 2HB ASP 91 11.253 -34.363 -3.873 644 H ALA 92 H ALA 92 14.661 -33.055 -6.294 645 HA ALA 92 HA ALA 92 12.627 -33.579 -8.353 646 1HB ALA 92 1HB ALA 92 14.328 -31.853 -9.617 647 2HB ALA 92 2HB ALA 92 12.768 -31.419 -8.919 648 3HB ALA 92 3HB ALA 92 14.248 -31.175 -7.991 649 H ARG 93 H ARG 93 13.192 -35.152 -9.704 650 HA ARG 93 HA ARG 93 16.001 -35.590 -10.351 651 1HB ARG 93 1HB ARG 93 14.243 -37.835 -9.351 652 2HB ARG 93 2HB ARG 93 15.931 -37.952 -9.833 653 1HG ARG 93 1HG ARG 93 16.584 -36.552 -7.957 654 2HG ARG 93 2HG ARG 93 14.892 -36.379 -7.485 655 1HD ARG 93 1HD ARG 93 14.742 -38.541 -6.724 656 2HD ARG 93 2HD ARG 93 16.028 -39.115 -7.785 657 HE ARG 93 HE ARG 93 17.037 -37.304 -5.847 658 1HH1 ARG 93 2HH1 ARG 93 15.932 -40.580 -6.259 659 2HH1 ARG 93 1HH1 ARG 93 16.890 -41.205 -4.957 660 1HH2 ARG 93 2HH2 ARG 93 18.303 -38.115 -4.131 661 2HH2 ARG 93 1HH2 ARG 93 18.238 -39.801 -3.747 662 H GLU 94 H GLU 94 16.267 -37.151 -12.151 663 HA GLU 94 HA GLU 94 13.884 -37.573 -13.781 664 1HB GLU 94 1HB GLU 94 14.859 -36.550 -15.754 665 2HB GLU 94 2HB GLU 94 14.761 -35.368 -14.456 666 1HG GLU 94 1HG GLU 94 16.854 -34.968 -15.302 667 2HG GLU 94 2HG GLU 94 17.209 -36.071 -13.974 668 H ASN 95 H ASN 95 14.215 -39.081 -15.528 669 HA ASN 95 HA ASN 95 16.717 -40.561 -15.560 670 1HB ASN 95 1HB ASN 95 15.281 -42.731 -15.364 671 2HB ASN 95 2HB ASN 95 15.753 -41.875 -13.899 672 1HD2 ASN 95 2HD2 ASN 95 14.181 -41.835 -12.482 673 2HD2 ASN 95 1HD2 ASN 95 12.498 -41.646 -12.825 674 H ASP 96 H ASP 96 16.350 -42.554 -17.142 675 HA ASP 96 HA ASP 96 14.599 -41.792 -19.357 676 1HB ASP 96 1HB ASP 96 17.091 -40.920 -19.525 677 2HB ASP 96 2HB ASP 96 17.401 -42.577 -20.035 678 H LEU 97 H LEU 97 14.897 -43.553 -21.178 679 HA LEU 97 HA LEU 97 15.246 -46.200 -19.966 680 1HB LEU 97 1HB LEU 97 12.863 -45.394 -21.626 681 2HB LEU 97 2HB LEU 97 13.183 -47.000 -20.975 682 HG LEU 97 HG LEU 97 13.140 -45.671 -18.679 683 1HD1 LEU 97 1HD1 LEU 97 11.316 -43.968 -18.793 684 2HD1 LEU 97 2HD1 LEU 97 11.476 -43.998 -20.549 685 3HD1 LEU 97 3HD1 LEU 97 12.831 -43.474 -19.549 686 1HD2 LEU 97 1HD2 LEU 97 10.527 -46.051 -18.842 687 2HD2 LEU 97 2HD2 LEU 97 11.659 -47.403 -18.779 688 3HD2 LEU 97 3HD2 LEU 97 10.987 -46.886 -20.326 689 H GLU 98 H GLU 98 14.808 -47.892 -21.884 690 HA GLU 98 HA GLU 98 15.843 -46.958 -24.426 691 1HB GLU 98 1HB GLU 98 17.740 -48.517 -24.438 692 2HB GLU 98 2HB GLU 98 17.896 -47.319 -23.160 693 1HG GLU 98 1HG GLU 98 18.524 -49.270 -22.109 694 2HG GLU 98 2HG GLU 98 16.829 -49.115 -21.652 695 H HIS 99 H HIS 99 15.491 -48.399 -26.127 696 HA HIS 99 HA HIS 99 13.662 -50.605 -25.472 697 1HB HIS 99 1HB HIS 99 12.981 -50.412 -27.891 698 2HB HIS 99 2HB HIS 99 12.605 -49.004 -26.901 699 HD1 HIS 99 HD1 HIS 99 14.715 -50.122 -29.760 700 HD2 HIS 99 HD2 HIS 99 14.074 -46.683 -27.519 701 HE1 HIS 99 HE1 HIS 99 15.825 -48.267 -31.044 702 H HIS 100 H HIS 100 13.708 -52.315 -27.378 703 HA HIS 100 HA HIS 100 16.374 -52.879 -28.351 704 1HB HIS 100 1HB HIS 100 16.649 -54.988 -27.236 705 2HB HIS 100 2HB HIS 100 16.340 -53.767 -26.005 706 HD1 HIS 100 HD1 HIS 100 13.449 -53.626 -25.670 707 HD2 HIS 100 HD2 HIS 100 15.316 -57.228 -26.568 708 HE1 HIS 100 HE1 HIS 100 11.848 -55.417 -24.925 709 H HIS 101 H HIS 101 16.328 -55.153 -29.457 710 HA HIS 101 HA HIS 101 13.799 -56.069 -30.421 711 1HB HIS 101 1HB HIS 101 13.891 -54.087 -31.790 712 2HB HIS 101 2HB HIS 101 15.549 -54.437 -32.268 713 HD1 HIS 101 HD1 HIS 101 15.449 -54.984 -34.679 714 HD2 HIS 101 HD2 HIS 101 12.379 -56.801 -32.549 715 HE1 HIS 101 HE1 HIS 101 14.243 -56.434 -36.342 716 H HIS 102 H HIS 102 13.954 -58.097 -31.241 717 HA HIS 102 HA HIS 102 16.510 -59.105 -32.186 718 1HB HIS 102 1HB HIS 102 16.513 -61.012 -30.637 719 2HB HIS 102 2HB HIS 102 16.635 -59.485 -29.768 720 HD1 HIS 102 HD1 HIS 102 14.417 -58.677 -28.535 721 HD2 HIS 102 HD2 HIS 102 14.377 -62.586 -29.943 722 HE1 HIS 102 HE1 HIS 102 12.501 -59.797 -27.353 723 H HIS 103 H HIS 103 16.275 -60.612 -33.739 724 HA HIS 103 HA HIS 103 13.821 -62.152 -33.946 725 1HB HIS 103 1HB HIS 103 13.653 -59.853 -35.202 726 2HB HIS 103 2HB HIS 103 14.660 -60.657 -36.403 727 HD1 HIS 103 HD1 HIS 103 13.584 -63.074 -37.229 728 HD2 HIS 103 HD2 HIS 103 11.009 -60.258 -35.584 729 HE1 HIS 103 HE1 HIS 103 11.281 -63.748 -37.982 730 H HIS 104 H HIS 104 13.999 -63.978 -35.296 731 HA HIS 104 HA HIS 104 16.756 -64.599 -36.134 732 1HB HIS 104 1HB HIS 104 16.177 -65.955 -34.223 733 2HB HIS 104 2HB HIS 104 14.653 -66.430 -34.966 734 HD1 HIS 104 HD1 HIS 104 18.355 -66.718 -35.827 735 HD2 HIS 104 HD2 HIS 104 14.808 -68.862 -36.119 736 HE1 HIS 104 HE1 HIS 104 18.988 -68.930 -36.842 Start of MODEL 8 1 1H ALA 1 H ALA 1 1.114 -0.584 0.463 2 HA ALA 1 HA ALA 1 1.727 0.695 -2.112 3 1HB ALA 1 1HB ALA 1 3.341 1.694 -0.762 4 2HB ALA 1 2HB ALA 1 3.598 0.226 0.182 5 3HB ALA 1 3HB ALA 1 4.190 0.323 -1.477 6 H GLN 2 H GLN 2 0.827 -1.064 -3.207 7 HA GLN 2 HA GLN 2 1.213 -3.751 -2.730 8 1HB GLN 2 1HB GLN 2 -0.372 -3.018 -4.383 9 2HB GLN 2 2HB GLN 2 0.902 -2.294 -5.356 10 1HG GLN 2 1HG GLN 2 0.238 -4.331 -6.390 11 2HG GLN 2 2HG GLN 2 1.847 -4.560 -5.705 12 1HE2 GLN 2 2HE2 GLN 2 1.863 -6.685 -5.302 13 2HE2 GLN 2 1HE2 GLN 2 0.743 -7.505 -4.274 14 H VAL 3 H VAL 3 2.963 -4.980 -2.653 15 HA VAL 3 HA VAL 3 5.236 -4.329 -4.405 16 HB VAL 3 HB VAL 3 5.461 -5.190 -1.517 17 1HG1 VAL 3 1HG1 VAL 3 7.554 -4.579 -3.599 18 2HG1 VAL 3 2HG1 VAL 3 7.888 -4.761 -1.876 19 3HG1 VAL 3 3HG1 VAL 3 7.258 -6.124 -2.803 20 1HG2 VAL 3 1HG2 VAL 3 5.197 -3.019 -1.076 21 2HG2 VAL 3 2HG2 VAL 3 6.775 -2.781 -1.827 22 3HG2 VAL 3 3HG2 VAL 3 5.305 -2.577 -2.780 23 H ASN 4 H ASN 4 5.674 -5.977 -5.699 24 HA ASN 4 HA ASN 4 5.113 -8.707 -4.742 25 1HB ASN 4 1HB ASN 4 5.022 -9.139 -7.340 26 2HB ASN 4 2HB ASN 4 3.615 -8.508 -6.489 27 1HD2 ASN 4 2HD2 ASN 4 6.063 -7.889 -8.814 28 2HD2 ASN 4 1HD2 ASN 4 5.499 -6.336 -9.320 29 H ILE 5 H ILE 5 6.906 -9.808 -4.351 30 HA ILE 5 HA ILE 5 9.217 -9.415 -6.133 31 HB ILE 5 HB ILE 5 9.366 -9.899 -3.155 32 1HG1 ILE 5 1HG1 ILE 5 10.286 -7.423 -4.595 33 2HG1 ILE 5 2HG1 ILE 5 8.628 -7.577 -4.024 34 1HG2 ILE 5 1HG2 ILE 5 11.295 -10.863 -3.917 35 2HG2 ILE 5 2HG2 ILE 5 11.380 -9.827 -5.341 36 3HG2 ILE 5 3HG2 ILE 5 11.831 -9.190 -3.760 37 1HD1 ILE 5 1HD1 ILE 5 11.128 -7.649 -2.355 38 2HD1 ILE 5 2HD1 ILE 5 9.913 -6.371 -2.406 39 3HD1 ILE 5 3HD1 ILE 5 9.502 -7.952 -1.743 40 H ALA 6 H ALA 6 10.203 -11.223 -6.861 41 HA ALA 6 HA ALA 6 8.919 -13.763 -6.279 42 1HB ALA 6 1HB ALA 6 9.838 -14.561 -8.240 43 2HB ALA 6 2HB ALA 6 9.626 -12.849 -8.607 44 3HB ALA 6 3HB ALA 6 11.218 -13.465 -8.164 45 HA PRO 7 HA PRO 7 12.000 -14.969 -3.336 46 1HB PRO 7 1HB PRO 7 11.318 -17.592 -3.189 47 2HB PRO 7 2HB PRO 7 10.371 -16.310 -2.426 48 1HG PRO 7 1HG PRO 7 9.899 -17.722 -5.023 49 2HG PRO 7 2HG PRO 7 8.734 -17.282 -3.761 50 1HD PRO 7 1HD PRO 7 9.037 -15.838 -6.031 51 2HD PRO 7 2HD PRO 7 8.588 -15.097 -4.481 52 H GLY 8 H GLY 8 13.235 -17.382 -3.213 53 1HA GLY 8 1HA GLY 8 14.532 -18.934 -4.495 54 2HA GLY 8 2HA GLY 8 14.456 -17.820 -5.853 55 H SER 9 H SER 9 15.030 -16.041 -3.120 56 HA SER 9 HA SER 9 17.728 -16.453 -2.553 57 1HB SER 9 1HB SER 9 17.191 -14.897 -5.013 58 2HB SER 9 2HB SER 9 18.364 -14.190 -3.902 59 HG SER 9 HG SER 9 19.509 -16.173 -3.985 60 H LEU 10 H LEU 10 17.992 -15.491 -0.658 61 HA LEU 10 HA LEU 10 16.129 -13.625 0.372 62 1HB LEU 10 1HB LEU 10 17.455 -15.263 1.709 63 2HB LEU 10 2HB LEU 10 18.877 -14.258 1.435 64 HG LEU 10 HG LEU 10 16.442 -13.104 2.742 65 1HD1 LEU 10 1HD1 LEU 10 16.642 -14.719 4.306 66 2HD1 LEU 10 2HD1 LEU 10 17.965 -13.696 4.867 67 3HD1 LEU 10 3HD1 LEU 10 18.305 -15.103 3.858 68 1HD2 LEU 10 1HD2 LEU 10 19.021 -12.183 2.042 69 2HD2 LEU 10 2HD2 LEU 10 18.952 -12.269 3.802 70 3HD2 LEU 10 3HD2 LEU 10 17.753 -11.325 2.918 71 H ASP 11 H ASP 11 19.455 -13.303 -0.808 72 HA ASP 11 HA ASP 11 19.798 -10.585 -0.209 73 1HB ASP 11 1HB ASP 11 21.665 -10.633 -1.725 74 2HB ASP 11 2HB ASP 11 21.613 -12.176 -0.877 75 H LYS 12 H LYS 12 18.437 -12.200 -3.036 76 HA LYS 12 HA LYS 12 18.184 -9.940 -4.685 77 1HB LYS 12 1HB LYS 12 17.074 -12.672 -4.612 78 2HB LYS 12 2HB LYS 12 16.090 -11.490 -5.465 79 1HG LYS 12 1HG LYS 12 18.936 -11.405 -6.147 80 2HG LYS 12 2HG LYS 12 18.125 -12.917 -6.563 81 1HD LYS 12 1HD LYS 12 17.661 -11.743 -8.456 82 2HD LYS 12 2HD LYS 12 16.289 -11.219 -7.477 83 1HE LYS 12 1HE LYS 12 17.032 -9.106 -7.365 84 2HE LYS 12 2HE LYS 12 18.699 -9.609 -7.091 85 1HZ LYS 12 1HZ LYS 12 19.029 -9.900 -9.407 86 2HZ LYS 12 2HZ LYS 12 18.306 -8.384 -9.207 87 3HZ LYS 12 3HZ LYS 12 17.384 -9.695 -9.748 88 H ALA 13 H ALA 13 15.711 -11.534 -2.666 89 HA ALA 13 HA ALA 13 13.690 -9.650 -3.053 90 1HB ALA 13 1HB ALA 13 13.381 -11.897 -2.053 91 2HB ALA 13 2HB ALA 13 14.136 -11.304 -0.572 92 3HB ALA 13 3HB ALA 13 12.614 -10.606 -1.127 93 H LEU 14 H LEU 14 16.324 -9.743 -0.709 94 HA LEU 14 HA LEU 14 15.530 -7.728 1.016 95 1HB LEU 14 1HB LEU 14 17.411 -8.794 1.747 96 2HB LEU 14 2HB LEU 14 18.143 -8.831 0.144 97 HG LEU 14 HG LEU 14 18.696 -6.439 0.370 98 1HD1 LEU 14 1HD1 LEU 14 17.183 -5.468 1.801 99 2HD1 LEU 14 2HD1 LEU 14 18.587 -5.642 2.853 100 3HD1 LEU 14 3HD1 LEU 14 17.259 -6.797 2.958 101 1HD2 LEU 14 1HD2 LEU 14 20.407 -6.736 2.185 102 2HD2 LEU 14 2HD2 LEU 14 20.413 -7.981 0.935 103 3HD2 LEU 14 3HD2 LEU 14 19.685 -8.313 2.508 104 H ASN 15 H ASN 15 17.437 -7.431 -1.974 105 HA ASN 15 HA ASN 15 17.578 -4.588 -1.855 106 1HB ASN 15 1HB ASN 15 18.113 -6.587 -4.050 107 2HB ASN 15 2HB ASN 15 18.287 -4.852 -4.294 108 1HD2 ASN 15 2HD2 ASN 15 19.317 -7.466 -2.144 109 2HD2 ASN 15 1HD2 ASN 15 20.904 -6.843 -1.862 110 H GLN 16 H GLN 16 15.367 -6.887 -3.296 111 HA GLN 16 HA GLN 16 14.022 -5.176 -5.059 112 1HB GLN 16 1HB GLN 16 12.979 -7.569 -3.534 113 2HB GLN 16 2HB GLN 16 12.147 -6.795 -4.876 114 1HG GLN 16 1HG GLN 16 14.887 -7.540 -5.509 115 2HG GLN 16 2HG GLN 16 13.877 -8.911 -5.054 116 1HE2 GLN 16 2HE2 GLN 16 14.286 -9.528 -7.303 117 2HE2 GLN 16 1HE2 GLN 16 13.250 -8.899 -8.534 118 H TYR 17 H TYR 17 13.101 -6.139 -1.750 119 HA TYR 17 HA TYR 17 10.967 -4.262 -1.595 120 1HB TYR 17 1HB TYR 17 10.514 -5.193 0.439 121 2HB TYR 17 2HB TYR 17 11.548 -6.468 -0.194 122 HD1 TYR 17 HD1 TYR 17 13.790 -6.801 0.673 123 HD2 TYR 17 HD2 TYR 17 11.308 -3.692 2.183 124 HE1 TYR 17 HE1 TYR 17 15.304 -6.532 2.592 125 HE2 TYR 17 HE2 TYR 17 12.816 -3.414 4.106 126 HH TYR 17 HH TYR 17 14.478 -4.714 5.344 127 H ALA 18 H ALA 18 14.338 -4.247 -0.584 128 HA ALA 18 HA ALA 18 14.282 -1.919 0.987 129 1HB ALA 18 1HB ALA 18 16.561 -3.045 -0.636 130 2HB ALA 18 2HB ALA 18 16.703 -1.850 0.655 131 3HB ALA 18 3HB ALA 18 16.151 -3.484 1.022 132 H ALA 19 H ALA 19 14.475 -2.404 -2.472 133 HA ALA 19 HA ALA 19 15.191 0.317 -3.062 134 1HB ALA 19 1HB ALA 19 14.763 -0.329 -5.406 135 2HB ALA 19 2HB ALA 19 15.864 -1.433 -4.582 136 3HB ALA 19 3HB ALA 19 14.183 -1.897 -4.844 137 H HIS 20 H HIS 20 12.245 -1.493 -2.667 138 HA HIS 20 HA HIS 20 10.550 0.445 -3.935 139 1HB HIS 20 1HB HIS 20 8.994 -1.160 -3.770 140 2HB HIS 20 2HB HIS 20 10.258 -2.193 -3.110 141 HD1 HIS 20 HD1 HIS 20 7.536 0.165 -1.931 142 HD2 HIS 20 HD2 HIS 20 9.847 -2.993 -0.535 143 HE1 HIS 20 HE1 HIS 20 6.601 -0.403 0.333 144 H SER 21 H SER 21 11.857 -0.036 -0.764 145 HA SER 21 HA SER 21 9.979 1.787 0.492 146 1HB SER 21 1HB SER 21 10.657 -0.040 1.869 147 2HB SER 21 2HB SER 21 12.363 0.246 1.526 148 HG SER 21 HG SER 21 12.239 2.156 2.711 149 H GLY 22 H GLY 22 13.540 1.668 0.211 150 1HA GLY 22 1HA GLY 22 14.723 3.571 -0.745 151 2HA GLY 22 2HA GLY 22 13.501 4.611 -0.028 152 H PHE 23 H PHE 23 14.690 1.957 1.832 153 HA PHE 23 HA PHE 23 16.331 3.824 3.415 154 1HB PHE 23 1HB PHE 23 15.539 2.914 5.418 155 2HB PHE 23 2HB PHE 23 14.095 2.988 4.414 156 HD1 PHE 23 HD1 PHE 23 15.944 0.979 6.575 157 HD2 PHE 23 HD2 PHE 23 13.676 0.794 2.978 158 HE1 PHE 23 HE1 PHE 23 15.579 -1.427 6.934 159 HE2 PHE 23 HE2 PHE 23 13.307 -1.613 3.331 160 HZ PHE 23 HZ PHE 23 14.258 -2.726 5.311 161 H THR 24 H THR 24 17.888 2.584 4.894 162 HA THR 24 HA THR 24 19.223 0.540 3.256 163 HB THR 24 HB THR 24 20.458 2.114 5.517 164 HG1 THR 24 HG1 THR 24 20.966 2.724 2.823 165 1HG2 THR 24 1HG2 THR 24 21.907 0.375 5.141 166 2HG2 THR 24 2HG2 THR 24 22.502 1.528 3.946 167 3HG2 THR 24 3HG2 THR 24 21.442 0.209 3.449 168 H LEU 25 H LEU 25 20.141 -1.310 4.259 169 HA LEU 25 HA LEU 25 19.222 -1.907 6.977 170 1HB LEU 25 1HB LEU 25 17.572 -2.825 5.398 171 2HB LEU 25 2HB LEU 25 18.855 -3.746 4.616 172 HG LEU 25 HG LEU 25 19.043 -4.553 7.236 173 1HD1 LEU 25 1HD1 LEU 25 16.910 -3.312 7.670 174 2HD1 LEU 25 2HD1 LEU 25 16.860 -5.034 8.045 175 3HD1 LEU 25 3HD1 LEU 25 16.111 -4.432 6.567 176 1HD2 LEU 25 1HD2 LEU 25 19.178 -5.959 5.239 177 2HD2 LEU 25 2HD2 LEU 25 17.436 -5.806 5.011 178 3HD2 LEU 25 3HD2 LEU 25 18.070 -6.638 6.432 179 H SER 26 H SER 26 20.686 -2.961 8.184 180 HA SER 26 HA SER 26 23.049 -4.064 6.809 181 1HB SER 26 1HB SER 26 22.848 -2.061 8.903 182 2HB SER 26 2HB SER 26 23.853 -3.420 9.404 183 HG SER 26 HG SER 26 25.190 -3.065 7.688 184 H VAL 27 H VAL 27 22.726 -6.210 6.862 185 HA VAL 27 HA VAL 27 22.318 -7.445 9.501 186 HB VAL 27 HB VAL 27 20.199 -7.692 8.454 187 1HG1 VAL 27 1HG1 VAL 27 21.821 -8.202 6.019 188 2HG1 VAL 27 2HG1 VAL 27 20.256 -9.008 6.153 189 3HG1 VAL 27 3HG1 VAL 27 20.352 -7.247 6.223 190 1HG2 VAL 27 1HG2 VAL 27 21.659 -10.275 7.928 191 2HG2 VAL 27 2HG2 VAL 27 21.203 -9.714 9.537 192 3HG2 VAL 27 3HG2 VAL 27 19.957 -10.066 8.339 193 H ASP 28 H ASP 28 23.565 -9.194 9.943 194 HA ASP 28 HA ASP 28 25.940 -9.614 8.557 195 1HB ASP 28 1HB ASP 28 24.451 -11.176 10.636 196 2HB ASP 28 2HB ASP 28 25.875 -11.882 9.876 197 H ALA 29 H ALA 29 25.826 -10.090 6.422 198 HA ALA 29 HA ALA 29 23.984 -11.984 5.335 199 1HB ALA 29 1HB ALA 29 26.456 -11.103 3.902 200 2HB ALA 29 2HB ALA 29 24.848 -11.438 3.259 201 3HB ALA 29 3HB ALA 29 25.138 -9.966 4.186 202 H SER 30 H SER 30 26.806 -12.347 7.077 203 HA SER 30 HA SER 30 28.231 -14.364 5.856 204 1HB SER 30 1HB SER 30 29.209 -13.570 7.812 205 2HB SER 30 2HB SER 30 27.708 -13.689 8.731 206 HG SER 30 HG SER 30 29.065 -15.351 9.360 207 H LEU 31 H LEU 31 25.408 -14.696 7.990 208 HA LEU 31 HA LEU 31 25.296 -17.553 7.568 209 1HB LEU 31 1HB LEU 31 23.090 -15.970 8.812 210 2HB LEU 31 2HB LEU 31 23.634 -17.606 9.177 211 HG LEU 31 HG LEU 31 25.808 -16.174 9.927 212 1HD1 LEU 31 1HD1 LEU 31 24.199 -14.134 9.411 213 2HD1 LEU 31 2HD1 LEU 31 25.337 -14.110 10.758 214 3HD1 LEU 31 3HD1 LEU 31 23.638 -14.488 11.045 215 1HD2 LEU 31 1HD2 LEU 31 24.878 -16.388 12.244 216 2HD2 LEU 31 2HD2 LEU 31 24.833 -17.869 11.287 217 3HD2 LEU 31 3HD2 LEU 31 23.362 -16.923 11.517 218 H THR 32 H THR 32 23.596 -14.683 6.460 219 HA THR 32 HA THR 32 21.388 -15.852 5.245 220 HB THR 32 HB THR 32 22.946 -13.415 4.363 221 HG1 THR 32 HG1 THR 32 21.262 -12.335 5.516 222 1HG2 THR 32 1HG2 THR 32 21.570 -14.255 2.532 223 2HG2 THR 32 2HG2 THR 32 20.888 -12.764 3.183 224 3HG2 THR 32 3HG2 THR 32 20.168 -14.319 3.598 225 H ARG 33 H ARG 33 24.699 -15.544 4.106 226 HA ARG 33 HA ARG 33 24.349 -16.181 1.421 227 1HB ARG 33 1HB ARG 33 26.596 -16.456 3.363 228 2HB ARG 33 2HB ARG 33 26.732 -17.280 1.816 229 1HG ARG 33 1HG ARG 33 26.122 -14.348 2.064 230 2HG ARG 33 2HG ARG 33 27.760 -14.993 1.935 231 1HD ARG 33 1HD ARG 33 25.757 -15.870 -0.075 232 2HD ARG 33 2HD ARG 33 26.372 -14.221 -0.191 233 HE ARG 33 HE ARG 33 28.589 -15.829 0.083 234 1HH1 ARG 33 2HH1 ARG 33 25.942 -15.532 -2.159 235 2HH1 ARG 33 1HH1 ARG 33 26.858 -16.097 -3.517 236 1HH2 ARG 33 2HH2 ARG 33 29.805 -16.575 -1.697 237 2HH2 ARG 33 1HH2 ARG 33 29.055 -16.691 -3.253 238 H GLY 34 H GLY 34 22.987 -17.817 0.895 239 1HA GLY 34 1HA GLY 34 23.206 -20.212 0.284 240 2HA GLY 34 2HA GLY 34 23.668 -20.491 1.956 241 H LYS 35 H LYS 35 21.343 -18.166 2.015 242 HA LYS 35 HA LYS 35 19.173 -20.146 2.252 243 1HB LYS 35 1HB LYS 35 20.082 -18.030 4.127 244 2HB LYS 35 2HB LYS 35 18.345 -18.257 3.969 245 1HG LYS 35 1HG LYS 35 18.542 -20.569 4.615 246 2HG LYS 35 2HG LYS 35 20.302 -20.442 4.648 247 1HD LYS 35 1HD LYS 35 18.483 -18.778 6.380 248 2HD LYS 35 2HD LYS 35 19.169 -20.322 6.892 249 1HE LYS 35 1HE LYS 35 21.199 -18.582 5.798 250 2HE LYS 35 2HE LYS 35 20.334 -17.798 7.120 251 1HZ LYS 35 1HZ LYS 35 22.210 -19.011 7.972 252 2HZ LYS 35 2HZ LYS 35 21.691 -20.438 7.227 253 3HZ LYS 35 3HZ LYS 35 20.787 -19.766 8.490 254 H GLN 36 H GLN 36 17.002 -19.279 1.944 255 HA GLN 36 HA GLN 36 16.997 -16.980 0.101 256 1HB GLN 36 1HB GLN 36 15.296 -19.473 0.105 257 2HB GLN 36 2HB GLN 36 14.937 -18.061 -0.880 258 1HG GLN 36 1HG GLN 36 16.116 -19.181 -2.424 259 2HG GLN 36 2HG GLN 36 17.492 -18.467 -1.585 260 1HE2 GLN 36 2HE2 GLN 36 18.830 -20.160 -2.248 261 2HE2 GLN 36 1HE2 GLN 36 18.742 -21.727 -1.525 262 H SER 37 H SER 37 14.571 -16.167 -0.111 263 HA SER 37 HA SER 37 13.349 -16.002 2.549 264 1HB SER 37 1HB SER 37 14.698 -14.027 2.490 265 2HB SER 37 2HB SER 37 14.197 -13.658 0.840 266 HG SER 37 HG SER 37 12.124 -13.228 1.611 267 H ASN 38 H ASN 38 11.132 -15.425 2.549 268 HA ASN 38 HA ASN 38 9.716 -16.349 0.234 269 1HB ASN 38 1HB ASN 38 8.841 -15.300 2.922 270 2HB ASN 38 2HB ASN 38 7.685 -15.714 1.659 271 1HD2 ASN 38 2HD2 ASN 38 10.106 -16.939 3.845 272 2HD2 ASN 38 1HD2 ASN 38 9.637 -18.599 3.748 273 H GLY 39 H GLY 39 9.191 -15.145 -1.460 274 1HA GLY 39 1HA GLY 39 9.643 -12.428 -1.735 275 2HA GLY 39 2HA GLY 39 8.533 -13.352 -2.735 276 H LEU 40 H LEU 40 7.880 -10.806 -2.351 277 HA LEU 40 HA LEU 40 5.870 -10.804 -0.203 278 1HB LEU 40 1HB LEU 40 7.661 -9.014 -0.263 279 2HB LEU 40 2HB LEU 40 6.874 -8.409 -1.719 280 HG LEU 40 HG LEU 40 4.858 -7.919 -0.458 281 1HD1 LEU 40 1HD1 LEU 40 6.041 -9.697 1.447 282 2HD1 LEU 40 2HD1 LEU 40 4.408 -9.034 1.403 283 3HD1 LEU 40 3HD1 LEU 40 5.699 -8.145 2.212 284 1HD2 LEU 40 1HD2 LEU 40 7.106 -6.473 -0.434 285 2HD2 LEU 40 2HD2 LEU 40 6.927 -6.742 1.300 286 3HD2 LEU 40 3HD2 LEU 40 5.631 -5.965 0.389 287 H HIS 41 H HIS 41 3.783 -9.874 -0.663 288 HA HIS 41 HA HIS 41 2.991 -9.370 -3.373 289 1HB HIS 41 1HB HIS 41 3.020 -12.034 -2.661 290 2HB HIS 41 2HB HIS 41 1.350 -11.570 -2.352 291 HD1 HIS 41 HD1 HIS 41 -0.064 -12.078 -4.300 292 HD2 HIS 41 HD2 HIS 41 3.749 -10.891 -5.446 293 HE1 HIS 41 HE1 HIS 41 -0.072 -12.127 -6.815 294 H GLY 42 H GLY 42 1.972 -7.519 -2.828 295 1HA GLY 42 1HA GLY 42 -0.447 -6.970 -2.262 296 2HA GLY 42 2HA GLY 42 -0.060 -7.659 -0.692 297 H ASP 43 H ASP 43 -1.006 -5.254 -0.486 298 HA ASP 43 HA ASP 43 1.002 -3.203 -0.734 299 1HB ASP 43 1HB ASP 43 -0.714 -1.805 0.483 300 2HB ASP 43 2HB ASP 43 -1.261 -2.506 -1.037 301 H TYR 44 H TYR 44 2.729 -3.488 0.566 302 HA TYR 44 HA TYR 44 2.221 -3.516 3.457 303 1HB TYR 44 1HB TYR 44 4.248 -5.234 2.011 304 2HB TYR 44 2HB TYR 44 4.148 -5.057 3.760 305 HD1 TYR 44 HD1 TYR 44 3.114 -6.974 0.986 306 HD2 TYR 44 HD2 TYR 44 1.822 -5.647 4.817 307 HE1 TYR 44 HE1 TYR 44 1.491 -8.821 1.072 308 HE2 TYR 44 HE2 TYR 44 0.197 -7.491 4.914 309 HH TYR 44 HH TYR 44 0.303 -10.138 3.022 310 H ASP 45 H ASP 45 3.296 -1.981 4.513 311 HA ASP 45 HA ASP 45 4.893 -0.088 3.174 312 1HB ASP 45 1HB ASP 45 4.687 -0.593 6.151 313 2HB ASP 45 2HB ASP 45 5.292 0.875 5.387 314 H VAL 46 H VAL 46 7.075 0.521 4.557 315 HA VAL 46 HA VAL 46 9.028 -1.240 3.614 316 HB VAL 46 HB VAL 46 9.610 1.049 4.031 317 1HG1 VAL 46 1HG1 VAL 46 9.262 0.572 6.983 318 2HG1 VAL 46 2HG1 VAL 46 9.577 2.100 6.158 319 3HG1 VAL 46 3HG1 VAL 46 8.016 1.299 5.969 320 1HG2 VAL 46 1HG2 VAL 46 11.280 -0.887 4.453 321 2HG2 VAL 46 2HG2 VAL 46 11.722 0.749 4.940 322 3HG2 VAL 46 3HG2 VAL 46 11.150 -0.406 6.144 323 H GLU 47 H GLU 47 7.748 -0.806 6.900 324 HA GLU 47 HA GLU 47 9.380 -2.866 8.023 325 1HB GLU 47 1HB GLU 47 6.946 -1.407 9.050 326 2HB GLU 47 2HB GLU 47 7.805 -2.621 9.988 327 1HG GLU 47 1HG GLU 47 9.716 -1.297 10.177 328 2HG GLU 47 2HG GLU 47 9.224 -0.241 8.855 329 H SER 48 H SER 48 5.908 -2.646 7.257 330 HA SER 48 HA SER 48 5.165 -5.215 7.984 331 1HB SER 48 1HB SER 48 4.062 -3.089 6.302 332 2HB SER 48 2HB SER 48 3.584 -4.704 5.777 333 HG SER 48 HG SER 48 2.431 -3.399 7.623 334 H GLY 49 H GLY 49 6.201 -4.069 4.770 335 1HA GLY 49 1HA GLY 49 6.103 -6.598 3.521 336 2HA GLY 49 2HA GLY 49 7.009 -5.206 2.947 337 H LEU 50 H LEU 50 8.745 -4.876 5.132 338 HA LEU 50 HA LEU 50 10.824 -6.610 4.451 339 1HB LEU 50 1HB LEU 50 11.582 -4.674 5.403 340 2HB LEU 50 2HB LEU 50 10.329 -4.665 6.642 341 HG LEU 50 HG LEU 50 11.522 -6.359 7.903 342 1HD1 LEU 50 1HD1 LEU 50 12.712 -6.965 5.462 343 2HD1 LEU 50 2HD1 LEU 50 13.074 -7.686 7.030 344 3HD1 LEU 50 3HD1 LEU 50 14.016 -6.311 6.454 345 1HD2 LEU 50 1HD2 LEU 50 12.261 -3.736 7.614 346 2HD2 LEU 50 2HD2 LEU 50 13.789 -4.591 7.401 347 3HD2 LEU 50 3HD2 LEU 50 12.840 -4.833 8.868 348 H GLN 51 H GLN 51 8.797 -6.596 7.382 349 HA GLN 51 HA GLN 51 9.902 -8.919 8.517 350 1HB GLN 51 1HB GLN 51 7.116 -7.803 8.883 351 2HB GLN 51 2HB GLN 51 7.919 -8.947 9.950 352 1HG GLN 51 1HG GLN 51 9.393 -6.457 9.468 353 2HG GLN 51 2HG GLN 51 7.863 -6.273 10.324 354 1HE2 GLN 51 2HE2 GLN 51 10.744 -8.344 10.323 355 2HE2 GLN 51 1HE2 GLN 51 10.876 -8.453 12.042 356 H GLN 52 H GLN 52 7.593 -8.456 5.991 357 HA GLN 52 HA GLN 52 6.419 -11.063 6.139 358 1HB GLN 52 1HB GLN 52 6.078 -8.666 4.560 359 2HB GLN 52 2HB GLN 52 6.082 -10.092 3.532 360 1HG GLN 52 1HG GLN 52 4.259 -9.511 5.849 361 2HG GLN 52 2HG GLN 52 3.833 -9.627 4.142 362 1HE2 GLN 52 2HE2 GLN 52 4.535 -11.809 3.157 363 2HE2 GLN 52 1HE2 GLN 52 4.114 -13.205 4.083 364 H LEU 53 H LEU 53 9.226 -9.686 4.641 365 HA LEU 53 HA LEU 53 9.636 -11.755 2.718 366 1HB LEU 53 1HB LEU 53 10.971 -9.330 3.578 367 2HB LEU 53 2HB LEU 53 12.116 -10.631 3.258 368 HG LEU 53 HG LEU 53 11.593 -10.709 1.000 369 1HD1 LEU 53 1HD1 LEU 53 9.365 -10.917 0.682 370 2HD1 LEU 53 2HD1 LEU 53 9.502 -9.206 0.280 371 3HD1 LEU 53 3HD1 LEU 53 8.964 -9.693 1.887 372 1HD2 LEU 53 1HD2 LEU 53 10.992 -7.815 1.320 373 2HD2 LEU 53 2HD2 LEU 53 12.140 -8.622 0.251 374 3HD2 LEU 53 3HD2 LEU 53 12.515 -8.429 1.964 375 H LEU 54 H LEU 54 11.290 -10.973 5.781 376 HA LEU 54 HA LEU 54 12.640 -13.517 5.813 377 1HB LEU 54 1HB LEU 54 13.914 -12.659 7.468 378 2HB LEU 54 2HB LEU 54 13.299 -11.142 6.816 379 HG LEU 54 HG LEU 54 13.092 -10.874 9.113 380 1HD1 LEU 54 1HD1 LEU 54 10.927 -10.327 9.239 381 2HD1 LEU 54 2HD1 LEU 54 10.391 -11.980 8.940 382 3HD1 LEU 54 3HD1 LEU 54 10.833 -10.939 7.588 383 1HD2 LEU 54 1HD2 LEU 54 11.609 -13.240 9.876 384 2HD2 LEU 54 2HD2 LEU 54 13.071 -12.548 10.580 385 3HD2 LEU 54 3HD2 LEU 54 13.188 -13.644 9.202 386 H ASP 55 H ASP 55 9.551 -12.605 6.513 387 HA ASP 55 HA ASP 55 8.839 -13.697 8.921 388 1HB ASP 55 1HB ASP 55 6.710 -13.481 8.188 389 2HB ASP 55 2HB ASP 55 7.460 -12.710 6.794 390 H GLY 56 H GLY 56 8.621 -15.689 9.784 391 1HA GLY 56 1HA GLY 56 8.012 -18.086 9.006 392 2HA GLY 56 2HA GLY 56 9.528 -17.942 8.128 393 H SER 57 H SER 57 10.810 -16.392 10.260 394 HA SER 57 HA SER 57 11.271 -18.610 12.140 395 1HB SER 57 1HB SER 57 13.508 -17.377 12.504 396 2HB SER 57 2HB SER 57 13.292 -18.251 10.988 397 HG SER 57 HG SER 57 12.621 -15.522 11.187 398 H GLY 58 H GLY 58 10.811 -15.129 11.859 399 1HA GLY 58 1HA GLY 58 9.768 -13.739 13.417 400 2HA GLY 58 2HA GLY 58 9.826 -15.049 14.587 401 H LEU 59 H LEU 59 11.453 -12.280 13.296 402 HA LEU 59 HA LEU 59 13.391 -12.450 15.502 403 1HB LEU 59 1HB LEU 59 13.863 -11.920 12.609 404 2HB LEU 59 2HB LEU 59 14.874 -11.100 13.798 405 HG LEU 59 HG LEU 59 15.000 -13.723 14.607 406 1HD1 LEU 59 1HD1 LEU 59 13.841 -14.042 12.235 407 2HD1 LEU 59 2HD1 LEU 59 15.037 -15.175 12.865 408 3HD1 LEU 59 3HD1 LEU 59 15.518 -13.942 11.699 409 1HD2 LEU 59 1HD2 LEU 59 16.863 -12.183 14.514 410 2HD2 LEU 59 2HD2 LEU 59 16.829 -12.202 12.751 411 3HD2 LEU 59 3HD2 LEU 59 17.268 -13.661 13.641 412 H GLN 60 H GLN 60 14.481 -10.218 15.810 413 HA GLN 60 HA GLN 60 12.348 -8.192 15.755 414 1HB GLN 60 1HB GLN 60 13.227 -7.272 17.742 415 2HB GLN 60 2HB GLN 60 13.260 -9.014 17.986 416 1HG GLN 60 1HG GLN 60 15.723 -8.584 16.937 417 2HG GLN 60 2HG GLN 60 15.459 -7.086 17.827 418 1HE2 GLN 60 2HE2 GLN 60 16.335 -10.336 18.020 419 2HE2 GLN 60 1HE2 GLN 60 16.385 -10.479 19.741 420 H VAL 61 H VAL 61 12.708 -6.203 14.897 421 HA VAL 61 HA VAL 61 15.378 -5.704 13.751 422 HB VAL 61 HB VAL 61 12.814 -4.726 12.512 423 1HG1 VAL 61 1HG1 VAL 61 15.575 -5.090 11.356 424 2HG1 VAL 61 2HG1 VAL 61 14.182 -4.355 10.560 425 3HG1 VAL 61 3HG1 VAL 61 14.925 -3.563 11.950 426 1HG2 VAL 61 1HG2 VAL 61 13.951 -7.403 12.477 427 2HG2 VAL 61 2HG2 VAL 61 12.370 -6.839 11.935 428 3HG2 VAL 61 3HG2 VAL 61 13.764 -6.720 10.862 429 H LYS 62 H LYS 62 16.295 -3.797 14.208 430 HA LYS 62 HA LYS 62 14.632 -1.581 15.146 431 1HB LYS 62 1HB LYS 62 16.395 -1.191 16.970 432 2HB LYS 62 2HB LYS 62 15.221 -2.474 17.233 433 1HG LYS 62 1HG LYS 62 17.627 -3.394 15.879 434 2HG LYS 62 2HG LYS 62 17.943 -2.702 17.472 435 1HD LYS 62 1HD LYS 62 15.806 -4.766 16.980 436 2HD LYS 62 2HD LYS 62 17.466 -5.189 17.405 437 1HE LYS 62 1HE LYS 62 16.247 -3.163 19.138 438 2HE LYS 62 2HE LYS 62 15.453 -4.736 19.190 439 1HZ LYS 62 1HZ LYS 62 18.383 -4.565 19.414 440 2HZ LYS 62 2HZ LYS 62 17.335 -5.759 19.995 441 3HZ LYS 62 3HZ LYS 62 17.417 -4.256 20.769 442 HA PRO 63 HA PRO 63 17.326 0.733 12.537 443 1HB PRO 63 1HB PRO 63 16.826 3.212 13.525 444 2HB PRO 63 2HB PRO 63 15.676 2.332 12.512 445 1HG PRO 63 1HG PRO 63 15.736 2.630 15.490 446 2HG PRO 63 2HG PRO 63 14.353 2.720 14.384 447 1HD PRO 63 1HD PRO 63 14.911 0.507 15.841 448 2HD PRO 63 2HD PRO 63 14.163 0.428 14.233 449 H LEU 64 H LEU 64 19.219 2.091 12.600 450 HA LEU 64 HA LEU 64 20.640 1.951 15.177 451 1HB LEU 64 1HB LEU 64 22.104 2.172 12.595 452 2HB LEU 64 2HB LEU 64 22.601 1.421 14.110 453 HG LEU 64 HG LEU 64 20.571 0.258 12.205 454 1HD1 LEU 64 1HD1 LEU 64 22.791 0.331 11.192 455 2HD1 LEU 64 2HD1 LEU 64 22.319 -1.322 11.587 456 3HD1 LEU 64 3HD1 LEU 64 23.469 -0.465 12.613 457 1HD2 LEU 64 1HD2 LEU 64 20.038 -0.955 14.002 458 2HD2 LEU 64 2HD2 LEU 64 21.448 -0.401 14.904 459 3HD2 LEU 64 3HD2 LEU 64 21.596 -1.749 13.776 460 H GLY 65 H GLY 65 20.641 3.789 12.113 461 1HA GLY 65 1HA GLY 65 21.161 6.216 13.718 462 2HA GLY 65 2HA GLY 65 21.927 5.934 12.161 463 H ASN 66 H ASN 66 21.021 6.890 10.471 464 HA ASN 66 HA ASN 66 18.690 8.448 10.685 465 1HB ASN 66 1HB ASN 66 20.443 8.962 9.065 466 2HB ASN 66 2HB ASN 66 20.124 7.454 8.212 467 1HD2 ASN 66 2HD2 ASN 66 18.773 7.524 6.565 468 2HD2 ASN 66 1HD2 ASN 66 17.653 8.796 6.229 469 H ASN 67 H ASN 67 18.988 5.989 8.164 470 HA ASN 67 HA ASN 67 16.372 4.910 8.976 471 1HB ASN 67 1HB ASN 67 16.793 6.443 6.715 472 2HB ASN 67 2HB ASN 67 16.881 4.796 6.098 473 1HD2 ASN 67 2HD2 ASN 67 15.091 3.432 7.506 474 2HD2 ASN 67 1HD2 ASN 67 13.502 4.078 7.298 475 H SER 68 H SER 68 19.109 3.960 9.462 476 HA SER 68 HA SER 68 19.302 1.586 7.775 477 1HB SER 68 1HB SER 68 21.336 1.334 9.569 478 2HB SER 68 2HB SER 68 21.470 2.198 8.038 479 HG SER 68 HG SER 68 22.161 3.380 9.958 480 H TRP 69 H TRP 69 18.331 -0.232 8.341 481 HA TRP 69 HA TRP 69 17.754 -0.694 11.193 482 1HB TRP 69 1HB TRP 69 16.308 -1.745 8.751 483 2HB TRP 69 2HB TRP 69 15.909 -2.151 10.418 484 HD1 TRP 69 HD1 TRP 69 16.474 1.270 8.646 485 HE1 TRP 69 HE1 TRP 69 14.492 2.798 9.246 486 HE3 TRP 69 HE3 TRP 69 13.780 -1.987 11.523 487 HZ2 TRP 69 HZ2 TRP 69 12.102 2.643 10.741 488 HZ3 TRP 69 HZ3 TRP 69 11.658 -1.218 12.502 489 HH2 TRP 69 HH2 TRP 69 10.838 1.050 12.118 490 H THR 70 H THR 70 17.969 -2.829 12.019 491 HA THR 70 HA THR 70 19.563 -4.673 10.380 492 HB THR 70 HB THR 70 21.115 -3.396 11.826 493 HG1 THR 70 HG1 THR 70 22.210 -5.212 12.460 494 1HG2 THR 70 1HG2 THR 70 19.637 -2.928 13.699 495 2HG2 THR 70 2HG2 THR 70 21.066 -3.795 14.262 496 3HG2 THR 70 3HG2 THR 70 19.534 -4.647 14.075 497 H LEU 71 H LEU 71 19.514 -6.882 11.099 498 HA LEU 71 HA LEU 71 17.034 -7.512 12.532 499 1HB LEU 71 1HB LEU 71 18.466 -8.674 10.283 500 2HB LEU 71 2HB LEU 71 18.015 -9.875 11.491 501 HG LEU 71 HG LEU 71 16.351 -9.716 9.712 502 1HD1 LEU 71 1HD1 LEU 71 14.387 -9.001 11.285 503 2HD1 LEU 71 2HD1 LEU 71 15.657 -8.953 12.507 504 3HD1 LEU 71 3HD1 LEU 71 15.332 -10.449 11.631 505 1HD2 LEU 71 1HD2 LEU 71 16.133 -6.845 10.600 506 2HD2 LEU 71 2HD2 LEU 71 14.954 -7.657 9.570 507 3HD2 LEU 71 3HD2 LEU 71 16.614 -7.442 9.012 508 H GLU 72 H GLU 72 17.085 -8.365 14.504 509 HA GLU 72 HA GLU 72 19.612 -9.556 15.444 510 1HB GLU 72 1HB GLU 72 19.295 -7.446 16.562 511 2HB GLU 72 2HB GLU 72 17.631 -7.853 16.959 512 1HG GLU 72 1HG GLU 72 18.539 -9.756 18.329 513 2HG GLU 72 2HG GLU 72 20.141 -9.063 18.082 514 HA PRO 73 HA PRO 73 17.250 -13.207 16.183 515 1HB PRO 73 1HB PRO 73 18.983 -14.453 17.861 516 2HB PRO 73 2HB PRO 73 19.257 -14.325 16.120 517 1HG PRO 73 1HG PRO 73 20.396 -12.674 18.343 518 2HG PRO 73 2HG PRO 73 21.207 -13.334 16.911 519 1HD PRO 73 1HD PRO 73 20.409 -10.752 17.073 520 2HD PRO 73 2HD PRO 73 20.433 -11.649 15.541 521 H ALA 74 H ALA 74 15.520 -13.344 17.454 522 HA ALA 74 HA ALA 74 15.693 -12.356 20.215 523 1HB ALA 74 1HB ALA 74 13.045 -12.761 19.812 524 2HB ALA 74 2HB ALA 74 13.881 -11.241 19.491 525 3HB ALA 74 3HB ALA 74 13.579 -12.376 18.176 526 HA PRO 75 HA PRO 75 15.172 -16.325 22.011 527 1HB PRO 75 1HB PRO 75 13.482 -15.816 24.073 528 2HB PRO 75 2HB PRO 75 15.170 -15.291 24.063 529 1HG PRO 75 1HG PRO 75 12.697 -13.731 23.419 530 2HG PRO 75 2HG PRO 75 14.111 -13.244 24.373 531 1HD PRO 75 1HD PRO 75 13.759 -12.484 21.798 532 2HD PRO 75 2HD PRO 75 15.366 -12.762 22.500 533 H ALA 76 H ALA 76 13.936 -18.123 21.797 534 HA ALA 76 HA ALA 76 11.700 -18.137 20.131 535 1HB ALA 76 1HB ALA 76 11.576 -20.455 21.736 536 2HB ALA 76 2HB ALA 76 12.242 -20.287 20.111 537 3HB ALA 76 3HB ALA 76 13.282 -20.065 21.517 538 HA PRO 77 HA PRO 77 8.203 -17.286 22.640 539 1HB PRO 77 1HB PRO 77 6.373 -19.067 21.718 540 2HB PRO 77 2HB PRO 77 6.899 -17.661 20.785 541 1HG PRO 77 1HG PRO 77 7.787 -20.513 20.576 542 2HG PRO 77 2HG PRO 77 7.412 -19.360 19.282 543 1HD PRO 77 1HD PRO 77 9.950 -19.928 20.038 544 2HD PRO 77 2HD PRO 77 9.469 -18.329 19.434 545 H LYS 78 H LYS 78 6.641 -18.211 24.196 546 HA LYS 78 HA LYS 78 7.911 -19.901 26.055 547 1HB LYS 78 1HB LYS 78 6.029 -18.144 26.397 548 2HB LYS 78 2HB LYS 78 4.939 -19.469 26.013 549 1HG LYS 78 1HG LYS 78 7.008 -19.923 28.093 550 2HG LYS 78 2HG LYS 78 5.626 -18.901 28.495 551 1HD LYS 78 1HD LYS 78 4.144 -20.628 28.382 552 2HD LYS 78 2HD LYS 78 5.065 -21.481 27.141 553 1HE LYS 78 1HE LYS 78 5.238 -22.794 29.095 554 2HE LYS 78 2HE LYS 78 6.783 -21.961 28.934 555 1HZ LYS 78 1HZ LYS 78 6.003 -20.321 30.551 556 2HZ LYS 78 2HZ LYS 78 6.019 -21.881 31.205 557 3HZ LYS 78 3HZ LYS 78 4.555 -21.177 30.734 558 H GLU 79 H GLU 79 8.395 -21.942 25.474 559 HA GLU 79 HA GLU 79 7.037 -23.596 23.731 560 1HB GLU 79 1HB GLU 79 8.194 -25.471 24.828 561 2HB GLU 79 2HB GLU 79 9.272 -24.112 24.545 562 1HG GLU 79 1HG GLU 79 8.879 -23.429 26.925 563 2HG GLU 79 2HG GLU 79 8.037 -24.961 27.148 564 H ASP 80 H ASP 80 5.119 -24.547 23.778 565 HA ASP 80 HA ASP 80 4.031 -25.711 26.155 566 1HB ASP 80 1HB ASP 80 3.511 -23.168 26.250 567 2HB ASP 80 2HB ASP 80 2.339 -23.522 24.984 568 H ALA 81 H ALA 81 3.275 -27.563 25.392 569 HA ALA 81 HA ALA 81 2.555 -27.947 22.665 570 1HB ALA 81 1HB ALA 81 3.485 -29.641 24.410 571 2HB ALA 81 2HB ALA 81 1.783 -29.879 24.808 572 3HB ALA 81 3HB ALA 81 2.357 -30.189 23.170 573 H LEU 82 H LEU 82 0.810 -27.070 25.520 574 HA LEU 82 HA LEU 82 -1.369 -26.555 25.912 575 1HB LEU 82 1HB LEU 82 -0.805 -25.355 23.633 576 2HB LEU 82 2HB LEU 82 -1.958 -26.524 22.993 577 HG LEU 82 HG LEU 82 -2.799 -24.900 25.334 578 1HD1 LEU 82 1HD1 LEU 82 -1.599 -23.447 23.522 579 2HD1 LEU 82 2HD1 LEU 82 -3.144 -22.935 24.200 580 3HD1 LEU 82 3HD1 LEU 82 -3.090 -23.709 22.617 581 1HD2 LEU 82 1HD2 LEU 82 -4.444 -26.372 24.649 582 2HD2 LEU 82 2HD2 LEU 82 -4.048 -26.185 22.940 583 3HD2 LEU 82 3HD2 LEU 82 -4.893 -24.894 23.797 584 H THR 83 H THR 83 -1.013 -29.115 26.285 585 HA THR 83 HA THR 83 -3.031 -30.565 24.720 586 HB THR 83 HB THR 83 -0.911 -31.716 24.827 587 HG1 THR 83 HG1 THR 83 -2.638 -33.123 24.930 588 1HG2 THR 83 1HG2 THR 83 -0.957 -30.803 27.577 589 2HG2 THR 83 2HG2 THR 83 0.400 -31.367 26.602 590 3HG2 THR 83 3HG2 THR 83 -0.605 -32.527 27.470 591 H VAL 84 H VAL 84 -4.364 -28.902 26.198 592 HA VAL 84 HA VAL 84 -5.517 -30.572 28.297 593 HB VAL 84 HB VAL 84 -4.885 -27.670 28.827 594 1HG1 VAL 84 1HG1 VAL 84 -6.342 -29.802 30.240 595 2HG1 VAL 84 2HG1 VAL 84 -5.243 -28.842 31.234 596 3HG1 VAL 84 3HG1 VAL 84 -6.529 -28.050 30.321 597 1HG2 VAL 84 1HG2 VAL 84 -2.819 -29.018 28.642 598 2HG2 VAL 84 2HG2 VAL 84 -3.093 -28.402 30.271 599 3HG2 VAL 84 3HG2 VAL 84 -3.438 -30.091 29.898 600 H VAL 85 H VAL 85 -7.550 -30.797 27.637 601 HA VAL 85 HA VAL 85 -9.623 -30.348 26.803 602 HB VAL 85 HB VAL 85 -9.198 -27.556 27.860 603 1HG1 VAL 85 1HG1 VAL 85 -11.752 -28.224 28.425 604 2HG1 VAL 85 2HG1 VAL 85 -11.254 -27.391 26.951 605 3HG1 VAL 85 3HG1 VAL 85 -11.503 -29.138 26.938 606 1HG2 VAL 85 1HG2 VAL 85 -8.534 -29.112 29.591 607 2HG2 VAL 85 2HG2 VAL 85 -10.093 -28.398 30.001 608 3HG2 VAL 85 3HG2 VAL 85 -10.016 -30.040 29.364 609 H GLY 86 H GLY 86 -8.093 -30.400 24.731 610 1HA GLY 86 1HA GLY 86 -7.995 -27.886 23.303 611 2HA GLY 86 2HA GLY 86 -7.485 -29.454 22.696 612 H ASP 87 H ASP 87 -8.593 -29.989 20.947 613 HA ASP 87 HA ASP 87 -11.205 -28.901 20.423 614 1HB ASP 87 1HB ASP 87 -9.311 -30.683 18.927 615 2HB ASP 87 2HB ASP 87 -10.981 -30.527 18.390 616 H TRP 88 H TRP 88 -9.869 -31.984 21.433 617 HA TRP 88 HA TRP 88 -10.826 -33.900 22.197 618 1HB TRP 88 1HB TRP 88 -11.844 -32.612 23.908 619 2HB TRP 88 2HB TRP 88 -13.013 -31.912 22.791 620 HD1 TRP 88 HD1 TRP 88 -15.253 -33.202 22.421 621 HE1 TRP 88 HE1 TRP 88 -16.275 -35.334 23.438 622 HE3 TRP 88 HE3 TRP 88 -11.125 -35.008 24.837 623 HZ2 TRP 88 HZ2 TRP 88 -15.442 -37.495 25.052 624 HZ3 TRP 88 HZ3 TRP 88 -11.322 -37.113 26.095 625 HH2 TRP 88 HH2 TRP 88 -13.437 -38.329 26.200 626 H LEU 89 H LEU 89 -10.950 -35.141 20.377 627 HA LEU 89 HA LEU 89 -13.210 -34.826 18.567 628 1HB LEU 89 1HB LEU 89 -11.014 -35.175 17.601 629 2HB LEU 89 2HB LEU 89 -10.833 -36.680 18.500 630 HG LEU 89 HG LEU 89 -12.522 -37.747 17.172 631 1HD1 LEU 89 1HD1 LEU 89 -14.168 -36.186 16.742 632 2HD1 LEU 89 2HD1 LEU 89 -13.406 -36.365 15.162 633 3HD1 LEU 89 3HD1 LEU 89 -13.020 -34.974 16.175 634 1HD2 LEU 89 1HD2 LEU 89 -10.189 -37.551 16.283 635 2HD2 LEU 89 2HD2 LEU 89 -10.744 -36.198 15.297 636 3HD2 LEU 89 3HD2 LEU 89 -11.429 -37.806 15.055 637 H GLY 90 H GLY 90 -12.100 -36.911 21.119 638 1HA GLY 90 1HA GLY 90 -13.556 -38.293 22.371 639 2HA GLY 90 2HA GLY 90 -14.652 -38.340 20.999 640 H ASP 91 H ASP 91 -12.885 -40.287 22.790 641 HA ASP 91 HA ASP 91 -11.490 -41.783 20.754 642 1HB ASP 91 1HB ASP 91 -11.036 -43.384 22.608 643 2HB ASP 91 2HB ASP 91 -10.542 -41.734 22.978 644 H ALA 92 H ALA 92 -13.779 -41.766 19.639 645 HA ALA 92 HA ALA 92 -15.062 -44.334 20.307 646 1HB ALA 92 1HB ALA 92 -16.544 -42.058 19.030 647 2HB ALA 92 2HB ALA 92 -17.192 -43.491 19.830 648 3HB ALA 92 3HB ALA 92 -16.421 -42.222 20.782 649 H ARG 93 H ARG 93 -15.628 -45.673 18.608 650 HA ARG 93 HA ARG 93 -14.852 -44.796 15.911 651 1HB ARG 93 1HB ARG 93 -14.022 -47.306 17.352 652 2HB ARG 93 2HB ARG 93 -14.019 -47.207 15.596 653 1HG ARG 93 1HG ARG 93 -12.594 -45.053 16.024 654 2HG ARG 93 2HG ARG 93 -12.279 -45.829 17.578 655 1HD ARG 93 1HD ARG 93 -11.762 -46.996 14.845 656 2HD ARG 93 2HD ARG 93 -10.548 -46.409 15.981 657 HE ARG 93 HE ARG 93 -11.813 -48.962 15.999 658 1HH1 ARG 93 2HH1 ARG 93 -10.453 -46.501 18.052 659 2HH1 ARG 93 1HH1 ARG 93 -10.051 -47.603 19.327 660 1HH2 ARG 93 2HH2 ARG 93 -11.288 -50.423 17.670 661 2HH2 ARG 93 1HH2 ARG 93 -10.526 -49.834 19.108 662 H GLU 94 H GLU 94 -16.374 -45.155 14.435 663 HA GLU 94 HA GLU 94 -18.681 -46.784 15.173 664 1HB GLU 94 1HB GLU 94 -18.674 -44.354 14.129 665 2HB GLU 94 2HB GLU 94 -18.545 -45.245 12.619 666 1HG GLU 94 1HG GLU 94 -20.686 -45.788 14.652 667 2HG GLU 94 2HG GLU 94 -20.870 -44.614 13.351 668 H ASN 95 H ASN 95 -18.705 -48.843 14.586 669 HA ASN 95 HA ASN 95 -16.960 -49.899 12.589 670 1HB ASN 95 1HB ASN 95 -17.653 -51.186 14.589 671 2HB ASN 95 2HB ASN 95 -19.302 -51.226 13.972 672 1HD2 ASN 95 2HD2 ASN 95 -19.757 -53.157 13.227 673 2HD2 ASN 95 1HD2 ASN 95 -18.712 -54.162 12.288 674 H ASP 96 H ASP 96 -17.276 -49.814 10.475 675 HA ASP 96 HA ASP 96 -19.791 -50.506 9.294 676 1HB ASP 96 1HB ASP 96 -20.115 -48.089 9.904 677 2HB ASP 96 2HB ASP 96 -18.794 -47.694 8.808 678 H LEU 97 H LEU 97 -19.507 -51.325 7.290 679 HA LEU 97 HA LEU 97 -16.797 -51.518 6.301 680 1HB LEU 97 1HB LEU 97 -18.722 -53.317 6.367 681 2HB LEU 97 2HB LEU 97 -19.134 -52.603 4.809 682 HG LEU 97 HG LEU 97 -17.781 -54.585 4.498 683 1HD1 LEU 97 1HD1 LEU 97 -16.318 -53.720 2.931 684 2HD1 LEU 97 2HD1 LEU 97 -15.923 -52.315 3.920 685 3HD1 LEU 97 3HD1 LEU 97 -17.489 -52.414 3.115 686 1HD2 LEU 97 1HD2 LEU 97 -15.529 -54.765 5.339 687 2HD2 LEU 97 2HD2 LEU 97 -16.635 -54.506 6.688 688 3HD2 LEU 97 3HD2 LEU 97 -15.644 -53.174 6.091 689 H GLU 98 H GLU 98 -16.217 -49.543 5.471 690 HA GLU 98 HA GLU 98 -17.621 -48.752 3.015 691 1HB GLU 98 1HB GLU 98 -16.819 -46.988 5.316 692 2HB GLU 98 2HB GLU 98 -17.016 -46.341 3.693 693 1HG GLU 98 1HG GLU 98 -19.210 -47.948 4.914 694 2HG GLU 98 2HG GLU 98 -18.986 -46.265 5.386 695 H HIS 99 H HIS 99 -15.369 -50.360 3.094 696 HA HIS 99 HA HIS 99 -13.294 -48.539 2.064 697 1HB HIS 99 1HB HIS 99 -12.870 -51.176 3.486 698 2HB HIS 99 2HB HIS 99 -11.600 -50.163 2.806 699 HD1 HIS 99 HD1 HIS 99 -12.912 -50.953 5.935 700 HD2 HIS 99 HD2 HIS 99 -11.978 -47.353 4.084 701 HE1 HIS 99 HE1 HIS 99 -12.633 -49.291 7.801 702 H HIS 100 H HIS 100 -14.001 -48.704 -0.065 703 HA HIS 100 HA HIS 100 -13.697 -51.371 -1.284 704 1HB HIS 100 1HB HIS 100 -16.016 -50.191 -1.301 705 2HB HIS 100 2HB HIS 100 -15.305 -49.172 -2.549 706 HD1 HIS 100 HD1 HIS 100 -17.043 -52.307 -2.087 707 HD2 HIS 100 HD2 HIS 100 -14.336 -50.772 -4.839 708 HE1 HIS 100 HE1 HIS 100 -17.220 -53.796 -4.106 709 H HIS 101 H HIS 101 -11.894 -51.531 -2.426 710 HA HIS 101 HA HIS 101 -11.118 -49.347 -4.198 711 1HB HIS 101 1HB HIS 101 -9.898 -49.283 -1.884 712 2HB HIS 101 2HB HIS 101 -8.973 -50.630 -2.541 713 HD1 HIS 101 HD1 HIS 101 -6.820 -49.811 -3.407 714 HD2 HIS 101 HD2 HIS 101 -9.884 -47.095 -4.107 715 HE1 HIS 101 HE1 HIS 101 -5.756 -47.903 -4.652 716 H HIS 102 H HIS 102 -9.488 -50.013 -5.794 717 HA HIS 102 HA HIS 102 -9.160 -52.890 -6.140 718 1HB HIS 102 1HB HIS 102 -10.742 -51.110 -7.958 719 2HB HIS 102 2HB HIS 102 -9.846 -52.465 -8.637 720 HD1 HIS 102 HD1 HIS 102 -13.085 -51.969 -8.215 721 HD2 HIS 102 HD2 HIS 102 -10.586 -54.685 -6.308 722 HE1 HIS 102 HE1 HIS 102 -14.592 -53.807 -7.394 723 H HIS 103 H HIS 103 -7.024 -53.063 -6.310 724 HA HIS 103 HA HIS 103 -5.651 -51.461 -8.335 725 1HB HIS 103 1HB HIS 103 -3.783 -50.976 -6.834 726 2HB HIS 103 2HB HIS 103 -5.280 -50.301 -6.196 727 HD1 HIS 103 HD1 HIS 103 -2.411 -51.937 -5.034 728 HD2 HIS 103 HD2 HIS 103 -6.469 -52.425 -4.291 729 HE1 HIS 103 HE1 HIS 103 -2.551 -53.157 -2.840 730 H HIS 104 H HIS 104 -4.095 -52.550 -9.436 731 HA HIS 104 HA HIS 104 -3.839 -55.396 -8.849 732 1HB HIS 104 1HB HIS 104 -4.412 -54.850 -11.129 733 2HB HIS 104 2HB HIS 104 -3.044 -53.749 -11.256 734 HD1 HIS 104 HD1 HIS 104 -3.186 -57.376 -10.104 735 HD2 HIS 104 HD2 HIS 104 -1.307 -54.972 -12.924 736 HE1 HIS 104 HE1 HIS 104 -1.569 -58.884 -11.302 Start of MODEL 9 1 1H ALA 1 H ALA 1 0.862 0.360 0.034 2 HA ALA 1 HA ALA 1 1.402 0.552 -2.786 3 1HB ALA 1 1HB ALA 1 3.572 1.001 -2.212 4 2HB ALA 1 2HB ALA 1 2.749 1.492 -0.731 5 3HB ALA 1 3HB ALA 1 3.544 -0.080 -0.819 6 H GLN 2 H GLN 2 0.652 -1.314 -3.761 7 HA GLN 2 HA GLN 2 1.136 -3.928 -2.820 8 1HB GLN 2 1HB GLN 2 -0.578 -3.132 -4.560 9 2HB GLN 2 2HB GLN 2 0.741 -3.220 -5.719 10 1HG GLN 2 1HG GLN 2 -0.126 -5.539 -4.014 11 2HG GLN 2 2HG GLN 2 -0.755 -5.223 -5.631 12 1HE2 GLN 2 2HE2 GLN 2 0.916 -7.416 -4.432 13 2HE2 GLN 2 1HE2 GLN 2 2.272 -7.553 -5.494 14 H VAL 3 H VAL 3 2.896 -5.160 -2.884 15 HA VAL 3 HA VAL 3 4.968 -4.599 -4.884 16 HB VAL 3 HB VAL 3 5.536 -5.028 -1.948 17 1HG1 VAL 3 1HG1 VAL 3 7.328 -4.689 -4.340 18 2HG1 VAL 3 2HG1 VAL 3 7.883 -4.442 -2.683 19 3HG1 VAL 3 3HG1 VAL 3 7.287 -6.024 -3.189 20 1HG2 VAL 3 1HG2 VAL 3 4.615 -2.774 -2.599 21 2HG2 VAL 3 2HG2 VAL 3 6.205 -2.753 -1.836 22 3HG2 VAL 3 3HG2 VAL 3 6.063 -2.555 -3.582 23 H ASN 4 H ASN 4 5.359 -6.393 -5.985 24 HA ASN 4 HA ASN 4 5.090 -8.981 -4.601 25 1HB ASN 4 1HB ASN 4 3.377 -9.003 -6.194 26 2HB ASN 4 2HB ASN 4 4.345 -8.144 -7.388 27 1HD2 ASN 4 2HD2 ASN 4 4.891 -9.362 -9.029 28 2HD2 ASN 4 1HD2 ASN 4 5.252 -11.051 -8.978 29 H ILE 5 H ILE 5 7.085 -9.660 -4.135 30 HA ILE 5 HA ILE 5 9.159 -9.417 -6.215 31 HB ILE 5 HB ILE 5 9.524 -9.661 -3.227 32 1HG1 ILE 5 1HG1 ILE 5 10.391 -7.322 -4.888 33 2HG1 ILE 5 2HG1 ILE 5 8.717 -7.437 -4.359 34 1HG2 ILE 5 1HG2 ILE 5 11.333 -10.773 -4.302 35 2HG2 ILE 5 2HG2 ILE 5 11.512 -9.473 -5.479 36 3HG2 ILE 5 3HG2 ILE 5 11.923 -9.193 -3.787 37 1HD1 ILE 5 1HD1 ILE 5 11.099 -7.495 -2.524 38 2HD1 ILE 5 2HD1 ILE 5 10.123 -6.068 -2.874 39 3HD1 ILE 5 3HD1 ILE 5 9.399 -7.452 -2.056 40 H ALA 6 H ALA 6 10.268 -11.202 -6.859 41 HA ALA 6 HA ALA 6 9.152 -13.772 -6.091 42 1HB ALA 6 1HB ALA 6 10.040 -14.628 -8.041 43 2HB ALA 6 2HB ALA 6 9.720 -12.953 -8.492 44 3HB ALA 6 3HB ALA 6 11.359 -13.457 -8.080 45 HA PRO 7 HA PRO 7 12.406 -14.621 -3.208 46 1HB PRO 7 1HB PRO 7 11.866 -17.259 -2.865 47 2HB PRO 7 2HB PRO 7 10.886 -15.977 -2.143 48 1HG PRO 7 1HG PRO 7 10.382 -17.579 -4.621 49 2HG PRO 7 2HG PRO 7 9.248 -17.113 -3.340 50 1HD PRO 7 1HD PRO 7 9.384 -15.809 -5.709 51 2HD PRO 7 2HD PRO 7 8.961 -14.991 -4.191 52 H GLY 8 H GLY 8 13.750 -16.981 -2.992 53 1HA GLY 8 1HA GLY 8 15.060 -18.548 -4.248 54 2HA GLY 8 2HA GLY 8 14.901 -17.500 -5.650 55 H SER 9 H SER 9 15.514 -15.704 -2.882 56 HA SER 9 HA SER 9 18.260 -15.970 -2.501 57 1HB SER 9 1HB SER 9 17.487 -14.392 -4.880 58 2HB SER 9 2HB SER 9 18.680 -13.638 -3.822 59 HG SER 9 HG SER 9 20.053 -14.895 -4.782 60 H LEU 10 H LEU 10 18.044 -15.374 -0.427 61 HA LEU 10 HA LEU 10 16.323 -13.491 0.639 62 1HB LEU 10 1HB LEU 10 17.751 -15.212 1.841 63 2HB LEU 10 2HB LEU 10 19.066 -14.043 1.739 64 HG LEU 10 HG LEU 10 16.461 -13.317 3.033 65 1HD1 LEU 10 1HD1 LEU 10 17.870 -15.468 3.906 66 2HD1 LEU 10 2HD1 LEU 10 16.891 -14.423 4.934 67 3HD1 LEU 10 3HD1 LEU 10 18.631 -14.160 4.814 68 1HD2 LEU 10 1HD2 LEU 10 18.950 -12.028 2.541 69 2HD2 LEU 10 2HD2 LEU 10 18.756 -12.229 4.282 70 3HD2 LEU 10 3HD2 LEU 10 17.516 -11.392 3.347 71 H ASP 11 H ASP 11 19.716 -13.051 -0.331 72 HA ASP 11 HA ASP 11 19.982 -10.369 0.371 73 1HB ASP 11 1HB ASP 11 21.977 -11.452 -0.194 74 2HB ASP 11 2HB ASP 11 21.315 -12.093 -1.695 75 H LYS 12 H LYS 12 18.758 -11.833 -2.604 76 HA LYS 12 HA LYS 12 18.444 -9.399 -4.026 77 1HB LYS 12 1HB LYS 12 17.310 -12.165 -4.358 78 2HB LYS 12 2HB LYS 12 16.798 -10.843 -5.397 79 1HG LYS 12 1HG LYS 12 19.560 -10.700 -5.452 80 2HG LYS 12 2HG LYS 12 19.215 -12.431 -5.471 81 1HD LYS 12 1HD LYS 12 19.159 -11.931 -7.720 82 2HD LYS 12 2HD LYS 12 17.456 -11.766 -7.287 83 1HE LYS 12 1HE LYS 12 17.591 -9.412 -7.257 84 2HE LYS 12 2HE LYS 12 19.354 -9.435 -7.260 85 1HZ LYS 12 1HZ LYS 12 17.757 -10.497 -9.515 86 2HZ LYS 12 2HZ LYS 12 19.400 -10.094 -9.496 87 3HZ LYS 12 3HZ LYS 12 18.230 -8.874 -9.430 88 H ALA 13 H ALA 13 16.049 -11.493 -2.411 89 HA ALA 13 HA ALA 13 13.804 -9.930 -2.768 90 1HB ALA 13 1HB ALA 13 13.161 -10.958 -0.435 91 2HB ALA 13 2HB ALA 13 13.304 -11.976 -1.869 92 3HB ALA 13 3HB ALA 13 14.623 -11.909 -0.700 93 H LEU 14 H LEU 14 16.413 -9.552 -0.459 94 HA LEU 14 HA LEU 14 15.140 -7.660 1.220 95 1HB LEU 14 1HB LEU 14 16.967 -8.551 2.249 96 2HB LEU 14 2HB LEU 14 17.915 -8.600 0.764 97 HG LEU 14 HG LEU 14 18.269 -6.160 0.953 98 1HD1 LEU 14 1HD1 LEU 14 16.461 -5.332 2.158 99 2HD1 LEU 14 2HD1 LEU 14 17.796 -5.235 3.305 100 3HD1 LEU 14 3HD1 LEU 14 16.624 -6.546 3.426 101 1HD2 LEU 14 1HD2 LEU 14 19.346 -6.723 3.497 102 2HD2 LEU 14 2HD2 LEU 14 20.156 -6.793 1.931 103 3HD2 LEU 14 3HD2 LEU 14 19.368 -8.231 2.582 104 H ASN 15 H ASN 15 17.455 -7.271 -1.459 105 HA ASN 15 HA ASN 15 17.458 -4.450 -1.418 106 1HB ASN 15 1HB ASN 15 17.999 -6.194 -3.825 107 2HB ASN 15 2HB ASN 15 18.612 -4.572 -3.518 108 1HD2 ASN 15 2HD2 ASN 15 19.866 -7.294 -3.949 109 2HD2 ASN 15 1HD2 ASN 15 21.002 -7.439 -2.655 110 H GLN 16 H GLN 16 15.391 -6.807 -2.970 111 HA GLN 16 HA GLN 16 14.140 -5.172 -4.858 112 1HB GLN 16 1HB GLN 16 12.965 -7.486 -3.307 113 2HB GLN 16 2HB GLN 16 12.289 -6.796 -4.776 114 1HG GLN 16 1HG GLN 16 15.082 -7.611 -5.028 115 2HG GLN 16 2HG GLN 16 13.975 -8.932 -4.660 116 1HE2 GLN 16 2HE2 GLN 16 14.933 -9.428 -6.898 117 2HE2 GLN 16 1HE2 GLN 16 13.983 -8.910 -8.245 118 H TYR 17 H TYR 17 13.014 -6.015 -1.579 119 HA TYR 17 HA TYR 17 10.895 -4.100 -1.645 120 1HB TYR 17 1HB TYR 17 10.249 -4.972 0.372 121 2HB TYR 17 2HB TYR 17 11.244 -6.306 -0.200 122 HD1 TYR 17 HD1 TYR 17 13.312 -6.862 0.880 123 HD2 TYR 17 HD2 TYR 17 11.101 -3.441 2.108 124 HE1 TYR 17 HE1 TYR 17 14.709 -6.692 2.897 125 HE2 TYR 17 HE2 TYR 17 12.492 -3.260 4.128 126 HH TYR 17 HH TYR 17 14.882 -5.713 4.939 127 H ALA 18 H ALA 18 14.181 -4.147 -0.416 128 HA ALA 18 HA ALA 18 14.092 -1.864 1.202 129 1HB ALA 18 1HB ALA 18 15.954 -3.469 1.188 130 2HB ALA 18 2HB ALA 18 16.431 -2.883 -0.406 131 3HB ALA 18 3HB ALA 18 16.506 -1.806 0.988 132 H ALA 19 H ALA 19 14.401 -2.232 -2.267 133 HA ALA 19 HA ALA 19 15.123 0.506 -2.744 134 1HB ALA 19 1HB ALA 19 14.159 -1.639 -4.632 135 2HB ALA 19 2HB ALA 19 14.773 -0.058 -5.118 136 3HB ALA 19 3HB ALA 19 15.836 -1.202 -4.299 137 H HIS 20 H HIS 20 12.163 -1.331 -2.550 138 HA HIS 20 HA HIS 20 10.517 0.682 -3.765 139 1HB HIS 20 1HB HIS 20 8.965 -0.935 -3.770 140 2HB HIS 20 2HB HIS 20 10.200 -2.003 -3.110 141 HD1 HIS 20 HD1 HIS 20 7.375 0.238 -1.965 142 HD2 HIS 20 HD2 HIS 20 9.711 -2.902 -0.571 143 HE1 HIS 20 HE1 HIS 20 6.345 -0.446 0.225 144 H SER 21 H SER 21 11.682 -0.007 -0.574 145 HA SER 21 HA SER 21 9.740 1.677 0.748 146 1HB SER 21 1HB SER 21 12.193 0.196 1.694 147 2HB SER 21 2HB SER 21 11.279 1.271 2.751 148 HG SER 21 HG SER 21 10.417 -1.113 1.498 149 H GLY 22 H GLY 22 13.294 1.788 0.391 150 1HA GLY 22 1HA GLY 22 14.369 3.801 -0.423 151 2HA GLY 22 2HA GLY 22 13.083 4.730 0.332 152 H PHE 23 H PHE 23 14.617 2.042 1.945 153 HA PHE 23 HA PHE 23 16.119 3.922 3.635 154 1HB PHE 23 1HB PHE 23 15.353 2.954 5.629 155 2HB PHE 23 2HB PHE 23 13.902 3.066 4.638 156 HD1 PHE 23 HD1 PHE 23 15.727 0.991 6.745 157 HD2 PHE 23 HD2 PHE 23 13.483 0.909 3.129 158 HE1 PHE 23 HE1 PHE 23 15.347 -1.422 7.040 159 HE2 PHE 23 HE2 PHE 23 13.099 -1.504 3.419 160 HZ PHE 23 HZ PHE 23 14.031 -2.672 5.376 161 H THR 24 H THR 24 17.688 2.668 5.096 162 HA THR 24 HA THR 24 19.030 0.651 3.428 163 HB THR 24 HB THR 24 20.264 2.269 5.660 164 HG1 THR 24 HG1 THR 24 20.135 2.759 2.859 165 1HG2 THR 24 1HG2 THR 24 21.728 0.533 5.350 166 2HG2 THR 24 2HG2 THR 24 22.313 1.638 4.106 167 3HG2 THR 24 3HG2 THR 24 21.259 0.295 3.668 168 H LEU 25 H LEU 25 19.932 -1.210 4.390 169 HA LEU 25 HA LEU 25 19.096 -1.807 7.135 170 1HB LEU 25 1HB LEU 25 17.389 -2.709 5.615 171 2HB LEU 25 2HB LEU 25 18.636 -3.629 4.777 172 HG LEU 25 HG LEU 25 18.902 -4.444 7.400 173 1HD1 LEU 25 1HD1 LEU 25 16.597 -3.171 7.578 174 2HD1 LEU 25 2HD1 LEU 25 16.877 -4.698 8.414 175 3HD1 LEU 25 3HD1 LEU 25 15.984 -4.677 6.893 176 1HD2 LEU 25 1HD2 LEU 25 18.934 -5.750 5.244 177 2HD2 LEU 25 2HD2 LEU 25 17.173 -5.791 5.337 178 3HD2 LEU 25 3HD2 LEU 25 18.141 -6.543 6.606 179 H SER 26 H SER 26 20.537 -2.983 8.286 180 HA SER 26 HA SER 26 22.881 -4.031 6.838 181 1HB SER 26 1HB SER 26 22.890 -1.933 8.636 182 2HB SER 26 2HB SER 26 23.364 -3.308 9.633 183 HG SER 26 HG SER 26 24.602 -2.361 7.267 184 H VAL 27 H VAL 27 22.531 -6.175 6.811 185 HA VAL 27 HA VAL 27 22.160 -7.509 9.407 186 HB VAL 27 HB VAL 27 20.021 -7.692 8.383 187 1HG1 VAL 27 1HG1 VAL 27 21.577 -8.302 5.900 188 2HG1 VAL 27 2HG1 VAL 27 19.902 -8.832 6.065 189 3HG1 VAL 27 3HG1 VAL 27 20.298 -7.115 6.152 190 1HG2 VAL 27 1HG2 VAL 27 21.331 -9.815 9.244 191 2HG2 VAL 27 2HG2 VAL 27 19.724 -9.956 8.530 192 3HG2 VAL 27 3HG2 VAL 27 21.153 -10.317 7.563 193 H ASP 28 H ASP 28 23.401 -9.283 9.758 194 HA ASP 28 HA ASP 28 25.681 -9.692 8.128 195 1HB ASP 28 1HB ASP 28 24.539 -11.112 10.518 196 2HB ASP 28 2HB ASP 28 25.933 -11.769 9.665 197 H ALA 29 H ALA 29 25.180 -10.339 6.074 198 HA ALA 29 HA ALA 29 23.321 -12.440 5.518 199 1HB ALA 29 1HB ALA 29 23.732 -12.039 3.277 200 2HB ALA 29 2HB ALA 29 24.061 -10.468 4.009 201 3HB ALA 29 3HB ALA 29 25.396 -11.531 3.567 202 H SER 30 H SER 30 26.380 -12.489 6.781 203 HA SER 30 HA SER 30 27.778 -14.463 5.467 204 1HB SER 30 1HB SER 30 28.591 -15.064 7.874 205 2HB SER 30 2HB SER 30 28.942 -13.463 7.224 206 HG SER 30 HG SER 30 27.907 -13.784 9.459 207 H LEU 31 H LEU 31 25.328 -14.880 8.009 208 HA LEU 31 HA LEU 31 25.390 -17.758 7.728 209 1HB LEU 31 1HB LEU 31 23.389 -17.536 9.342 210 2HB LEU 31 2HB LEU 31 25.010 -17.151 9.919 211 HG LEU 31 HG LEU 31 24.538 -14.773 9.713 212 1HD1 LEU 31 1HD1 LEU 31 23.084 -14.494 7.942 213 2HD1 LEU 31 2HD1 LEU 31 22.034 -14.215 9.331 214 3HD1 LEU 31 3HD1 LEU 31 21.997 -15.768 8.495 215 1HD2 LEU 31 1HD2 LEU 31 22.863 -16.564 11.366 216 2HD2 LEU 31 2HD2 LEU 31 22.384 -14.868 11.295 217 3HD2 LEU 31 3HD2 LEU 31 24.001 -15.305 11.848 218 H THR 32 H THR 32 23.888 -15.220 6.136 219 HA THR 32 HA THR 32 21.375 -16.470 5.561 220 HB THR 32 HB THR 32 22.778 -14.155 4.214 221 HG1 THR 32 HG1 THR 32 20.980 -13.049 5.382 222 1HG2 THR 32 1HG2 THR 32 21.306 -14.881 2.568 223 2HG2 THR 32 2HG2 THR 32 20.332 -13.710 3.459 224 3HG2 THR 32 3HG2 THR 32 20.113 -15.437 3.741 225 H ARG 33 H ARG 33 24.470 -16.149 3.878 226 HA ARG 33 HA ARG 33 23.805 -17.169 1.401 227 1HB ARG 33 1HB ARG 33 26.248 -16.877 2.977 228 2HB ARG 33 2HB ARG 33 26.307 -18.244 1.873 229 1HG ARG 33 1HG ARG 33 25.684 -15.398 1.108 230 2HG ARG 33 2HG ARG 33 27.227 -16.220 0.868 231 1HD ARG 33 1HD ARG 33 25.968 -17.928 -0.495 232 2HD ARG 33 2HD ARG 33 24.578 -16.847 -0.415 233 HE ARG 33 HE ARG 33 25.598 -15.463 -1.939 234 1HH1 ARG 33 2HH1 ARG 33 27.897 -17.793 -0.755 235 2HH1 ARG 33 1HH1 ARG 33 29.110 -17.383 -1.921 236 1HH2 ARG 33 2HH2 ARG 33 27.187 -14.914 -3.480 237 2HH2 ARG 33 1HH2 ARG 33 28.706 -15.745 -3.470 238 H GLY 34 H GLY 34 22.730 -18.974 0.948 239 1HA GLY 34 1HA GLY 34 23.549 -21.519 1.140 240 2HA GLY 34 2HA GLY 34 22.853 -21.260 2.733 241 H LYS 35 H LYS 35 20.622 -19.894 2.370 242 HA LYS 35 HA LYS 35 19.071 -21.443 0.399 243 1HB LYS 35 1HB LYS 35 17.400 -21.893 1.926 244 2HB LYS 35 2HB LYS 35 18.825 -21.973 2.954 245 1HG LYS 35 1HG LYS 35 16.939 -19.641 2.691 246 2HG LYS 35 2HG LYS 35 17.065 -20.748 4.060 247 1HD LYS 35 1HD LYS 35 19.554 -19.985 4.100 248 2HD LYS 35 2HD LYS 35 18.958 -18.610 3.167 249 1HE LYS 35 1HE LYS 35 18.875 -17.909 5.406 250 2HE LYS 35 2HE LYS 35 17.212 -18.331 4.999 251 1HZ LYS 35 1HZ LYS 35 18.778 -19.340 7.072 252 2HZ LYS 35 2HZ LYS 35 18.515 -20.613 5.989 253 3HZ LYS 35 3HZ LYS 35 17.200 -19.781 6.652 254 H GLN 36 H GLN 36 16.776 -20.361 0.192 255 HA GLN 36 HA GLN 36 17.272 -17.517 -0.358 256 1HB GLN 36 1HB GLN 36 15.217 -17.805 -1.864 257 2HB GLN 36 2HB GLN 36 16.714 -18.571 -2.379 258 1HG GLN 36 1HG GLN 36 14.834 -20.048 -2.729 259 2HG GLN 36 2HG GLN 36 15.922 -20.709 -1.510 260 1HE2 GLN 36 2HE2 GLN 36 14.769 -21.754 -0.060 261 2HE2 GLN 36 1HE2 GLN 36 13.305 -21.199 0.670 262 H SER 37 H SER 37 15.295 -16.103 -0.231 263 HA SER 37 HA SER 37 13.741 -16.804 2.173 264 1HB SER 37 1HB SER 37 14.034 -14.705 3.002 265 2HB SER 37 2HB SER 37 15.453 -14.717 1.954 266 HG SER 37 HG SER 37 12.910 -13.580 1.445 267 H ASN 38 H ASN 38 11.561 -15.973 2.298 268 HA ASN 38 HA ASN 38 10.156 -16.300 -0.177 269 1HB ASN 38 1HB ASN 38 9.444 -16.945 2.267 270 2HB ASN 38 2HB ASN 38 8.834 -15.294 2.316 271 1HD2 ASN 38 2HD2 ASN 38 8.606 -18.372 0.657 272 2HD2 ASN 38 1HD2 ASN 38 7.019 -18.125 0.021 273 H GLY 39 H GLY 39 9.494 -14.782 -1.558 274 1HA GLY 39 1HA GLY 39 10.244 -12.060 -1.205 275 2HA GLY 39 2HA GLY 39 9.279 -12.705 -2.524 276 H LEU 40 H LEU 40 8.211 -10.558 -2.198 277 HA LEU 40 HA LEU 40 6.244 -10.659 -0.011 278 1HB LEU 40 1HB LEU 40 7.721 -8.683 -0.066 279 2HB LEU 40 2HB LEU 40 7.109 -8.297 -1.673 280 HG LEU 40 HG LEU 40 4.892 -7.891 -0.751 281 1HD1 LEU 40 1HD1 LEU 40 5.997 -9.277 1.523 282 2HD1 LEU 40 2HD1 LEU 40 4.317 -8.902 1.140 283 3HD1 LEU 40 3HD1 LEU 40 5.310 -7.723 1.997 284 1HD2 LEU 40 1HD2 LEU 40 6.827 -6.165 -0.739 285 2HD2 LEU 40 2HD2 LEU 40 6.775 -6.374 1.012 286 3HD2 LEU 40 3HD2 LEU 40 5.345 -5.807 0.148 287 H HIS 41 H HIS 41 4.065 -9.887 -0.508 288 HA HIS 41 HA HIS 41 3.211 -9.744 -3.245 289 1HB HIS 41 1HB HIS 41 3.487 -12.285 -2.404 290 2HB HIS 41 2HB HIS 41 1.856 -11.967 -1.820 291 HD1 HIS 41 HD1 HIS 41 0.058 -11.352 -3.663 292 HD2 HIS 41 HD2 HIS 41 3.708 -12.704 -5.115 293 HE1 HIS 41 HE1 HIS 41 -0.356 -11.950 -6.070 294 H GLY 42 H GLY 42 2.090 -7.904 -2.878 295 1HA GLY 42 1HA GLY 42 -0.317 -7.374 -2.378 296 2HA GLY 42 2HA GLY 42 0.023 -7.989 -0.767 297 H ASP 43 H ASP 43 -0.913 -5.731 -0.382 298 HA ASP 43 HA ASP 43 1.028 -3.589 -0.727 299 1HB ASP 43 1HB ASP 43 -0.752 -2.170 0.307 300 2HB ASP 43 2HB ASP 43 -1.270 -3.004 -1.156 301 H TYR 44 H TYR 44 2.573 -3.282 0.721 302 HA TYR 44 HA TYR 44 1.963 -3.392 3.555 303 1HB TYR 44 1HB TYR 44 4.131 -5.130 2.357 304 2HB TYR 44 2HB TYR 44 3.836 -4.904 4.077 305 HD1 TYR 44 HD1 TYR 44 2.957 -6.761 1.136 306 HD2 TYR 44 HD2 TYR 44 1.618 -5.687 5.029 307 HE1 TYR 44 HE1 TYR 44 1.374 -8.643 1.104 308 HE2 TYR 44 HE2 TYR 44 0.032 -7.567 5.008 309 HH TYR 44 HH TYR 44 -0.584 -9.445 3.934 310 H ASP 45 H ASP 45 2.969 -1.792 4.583 311 HA ASP 45 HA ASP 45 4.550 0.095 3.257 312 1HB ASP 45 1HB ASP 45 4.319 -0.417 6.231 313 2HB ASP 45 2HB ASP 45 4.976 1.042 5.496 314 H VAL 46 H VAL 46 6.726 0.761 4.623 315 HA VAL 46 HA VAL 46 8.704 -0.993 3.687 316 HB VAL 46 HB VAL 46 9.230 1.331 4.004 317 1HG1 VAL 46 1HG1 VAL 46 8.987 0.944 6.978 318 2HG1 VAL 46 2HG1 VAL 46 9.236 2.451 6.094 319 3HG1 VAL 46 3HG1 VAL 46 7.692 1.606 5.983 320 1HG2 VAL 46 1HG2 VAL 46 11.005 -0.444 4.332 321 2HG2 VAL 46 2HG2 VAL 46 11.364 1.147 5.004 322 3HG2 VAL 46 3HG2 VAL 46 10.836 -0.160 6.064 323 H GLU 47 H GLU 47 7.451 -0.456 6.968 324 HA GLU 47 HA GLU 47 9.153 -2.414 8.162 325 1HB GLU 47 1HB GLU 47 6.644 -1.063 9.167 326 2HB GLU 47 2HB GLU 47 7.648 -2.128 10.141 327 1HG GLU 47 1HG GLU 47 9.210 -0.561 10.483 328 2HG GLU 47 2HG GLU 47 9.094 0.062 8.838 329 H SER 48 H SER 48 5.662 -2.347 7.448 330 HA SER 48 HA SER 48 5.055 -4.935 8.258 331 1HB SER 48 1HB SER 48 3.736 -2.831 6.858 332 2HB SER 48 2HB SER 48 3.479 -4.325 5.958 333 HG SER 48 HG SER 48 1.886 -4.231 7.480 334 H GLY 49 H GLY 49 5.921 -3.790 4.994 335 1HA GLY 49 1HA GLY 49 5.862 -6.320 3.759 336 2HA GLY 49 2HA GLY 49 6.729 -4.912 3.163 337 H LEU 50 H LEU 50 8.544 -4.518 5.228 338 HA LEU 50 HA LEU 50 10.648 -6.158 4.526 339 1HB LEU 50 1HB LEU 50 11.368 -4.281 5.593 340 2HB LEU 50 2HB LEU 50 10.081 -4.339 6.796 341 HG LEU 50 HG LEU 50 11.272 -6.077 8.013 342 1HD1 LEU 50 1HD1 LEU 50 12.589 -6.481 5.576 343 2HD1 LEU 50 2HD1 LEU 50 12.856 -7.329 7.099 344 3HD1 LEU 50 3HD1 LEU 50 13.819 -5.905 6.702 345 1HD2 LEU 50 1HD2 LEU 50 12.330 -3.411 7.513 346 2HD2 LEU 50 2HD2 LEU 50 13.548 -4.536 8.115 347 3HD2 LEU 50 3HD2 LEU 50 12.069 -4.261 9.037 348 H GLN 51 H GLN 51 8.660 -6.388 7.477 349 HA GLN 51 HA GLN 51 9.854 -8.753 8.433 350 1HB GLN 51 1HB GLN 51 7.054 -7.743 8.958 351 2HB GLN 51 2HB GLN 51 7.940 -8.906 9.935 352 1HG GLN 51 1HG GLN 51 9.338 -6.370 9.541 353 2HG GLN 51 2HG GLN 51 7.806 -6.228 10.403 354 1HE2 GLN 51 2HE2 GLN 51 10.859 -7.999 10.363 355 2HE2 GLN 51 1HE2 GLN 51 10.934 -8.263 12.069 356 H GLN 52 H GLN 52 7.456 -8.174 6.016 357 HA GLN 52 HA GLN 52 6.341 -10.814 6.031 358 1HB GLN 52 1HB GLN 52 5.641 -8.377 4.900 359 2HB GLN 52 2HB GLN 52 6.079 -9.370 3.516 360 1HG GLN 52 1HG GLN 52 4.119 -10.215 5.635 361 2HG GLN 52 2HG GLN 52 3.666 -9.426 4.125 362 1HE2 GLN 52 2HE2 GLN 52 3.825 -12.311 5.585 363 2HE2 GLN 52 1HE2 GLN 52 4.030 -13.344 4.216 364 H LEU 53 H LEU 53 9.058 -9.268 4.532 365 HA LEU 53 HA LEU 53 9.440 -11.188 2.454 366 1HB LEU 53 1HB LEU 53 10.882 -8.866 3.539 367 2HB LEU 53 2HB LEU 53 11.899 -10.107 2.812 368 HG LEU 53 HG LEU 53 11.550 -8.702 1.030 369 1HD1 LEU 53 1HD1 LEU 53 10.675 -11.079 0.654 370 2HD1 LEU 53 2HD1 LEU 53 10.230 -9.841 -0.520 371 3HD1 LEU 53 3HD1 LEU 53 9.068 -10.354 0.704 372 1HD2 LEU 53 1HD2 LEU 53 10.103 -7.101 2.022 373 2HD2 LEU 53 2HD2 LEU 53 8.776 -8.260 2.116 374 3HD2 LEU 53 3HD2 LEU 53 9.315 -7.660 0.547 375 H LEU 54 H LEU 54 11.177 -10.585 5.512 376 HA LEU 54 HA LEU 54 12.579 -13.097 5.312 377 1HB LEU 54 1HB LEU 54 13.911 -12.323 6.962 378 2HB LEU 54 2HB LEU 54 13.241 -10.778 6.442 379 HG LEU 54 HG LEU 54 13.140 -10.677 8.763 380 1HD1 LEU 54 1HD1 LEU 54 10.443 -11.792 8.635 381 2HD1 LEU 54 2HD1 LEU 54 10.816 -10.667 7.330 382 3HD1 LEU 54 3HD1 LEU 54 10.981 -10.155 9.009 383 1HD2 LEU 54 1HD2 LEU 54 11.708 -13.112 9.407 384 2HD2 LEU 54 2HD2 LEU 54 13.184 -12.449 10.110 385 3HD2 LEU 54 3HD2 LEU 54 13.268 -13.442 8.653 386 H ASP 55 H ASP 55 9.514 -12.264 6.230 387 HA ASP 55 HA ASP 55 8.942 -13.552 8.581 388 1HB ASP 55 1HB ASP 55 7.461 -12.497 6.466 389 2HB ASP 55 2HB ASP 55 6.935 -14.175 6.575 390 H GLY 56 H GLY 56 9.367 -15.535 9.275 391 1HA GLY 56 1HA GLY 56 8.520 -17.911 8.359 392 2HA GLY 56 2HA GLY 56 9.958 -17.654 7.381 393 H SER 57 H SER 57 11.104 -16.137 9.780 394 HA SER 57 HA SER 57 11.921 -18.534 11.289 395 1HB SER 57 1HB SER 57 14.031 -17.082 11.743 396 2HB SER 57 2HB SER 57 13.860 -17.860 10.170 397 HG SER 57 HG SER 57 13.030 -15.202 10.700 398 H GLY 58 H GLY 58 11.265 -15.061 11.498 399 1HA GLY 58 1HA GLY 58 10.109 -14.009 13.250 400 2HA GLY 58 2HA GLY 58 10.353 -15.439 14.241 401 H LEU 59 H LEU 59 11.639 -12.382 13.251 402 HA LEU 59 HA LEU 59 13.594 -12.547 15.427 403 1HB LEU 59 1HB LEU 59 14.147 -11.803 12.573 404 2HB LEU 59 2HB LEU 59 15.164 -11.223 13.890 405 HG LEU 59 HG LEU 59 15.145 -13.903 14.368 406 1HD1 LEU 59 1HD1 LEU 59 13.871 -14.186 12.210 407 2HD1 LEU 59 2HD1 LEU 59 15.365 -15.113 12.349 408 3HD1 LEU 59 3HD1 LEU 59 15.328 -13.642 11.377 409 1HD2 LEU 59 1HD2 LEU 59 17.198 -12.906 14.471 410 2HD2 LEU 59 2HD2 LEU 59 16.978 -12.036 12.953 411 3HD2 LEU 59 3HD2 LEU 59 17.355 -13.760 12.936 412 H GLN 60 H GLN 60 14.607 -10.262 15.742 413 HA GLN 60 HA GLN 60 12.387 -8.331 15.679 414 1HB GLN 60 1HB GLN 60 13.186 -7.397 17.680 415 2HB GLN 60 2HB GLN 60 13.357 -9.132 17.909 416 1HG GLN 60 1HG GLN 60 15.772 -8.356 16.802 417 2HG GLN 60 2HG GLN 60 15.365 -7.054 17.918 418 1HE2 GLN 60 2HE2 GLN 60 17.098 -9.731 17.723 419 2HE2 GLN 60 1HE2 GLN 60 17.007 -10.307 19.349 420 H VAL 61 H VAL 61 12.792 -6.161 15.146 421 HA VAL 61 HA VAL 61 15.372 -5.650 13.820 422 HB VAL 61 HB VAL 61 12.862 -4.407 12.771 423 1HG1 VAL 61 1HG1 VAL 61 15.501 -5.187 11.538 424 2HG1 VAL 61 2HG1 VAL 61 14.159 -4.442 10.667 425 3HG1 VAL 61 3HG1 VAL 61 14.972 -3.559 11.959 426 1HG2 VAL 61 1HG2 VAL 61 13.647 -7.248 12.538 427 2HG2 VAL 61 2HG2 VAL 61 12.052 -6.501 12.454 428 3HG2 VAL 61 3HG2 VAL 61 13.126 -6.446 11.056 429 H LYS 62 H LYS 62 16.266 -3.660 14.119 430 HA LYS 62 HA LYS 62 14.719 -1.549 15.394 431 1HB LYS 62 1HB LYS 62 16.650 -1.262 17.074 432 2HB LYS 62 2HB LYS 62 15.474 -2.535 17.376 433 1HG LYS 62 1HG LYS 62 17.692 -3.477 15.772 434 2HG LYS 62 2HG LYS 62 18.225 -2.802 17.314 435 1HD LYS 62 1HD LYS 62 16.048 -4.870 17.016 436 2HD LYS 62 2HD LYS 62 17.731 -5.240 17.399 437 1HE LYS 62 1HE LYS 62 17.336 -3.483 19.315 438 2HE LYS 62 2HE LYS 62 15.644 -3.912 19.063 439 1HZ LYS 62 1HZ LYS 62 15.948 -5.975 19.892 440 2HZ LYS 62 2HZ LYS 62 17.222 -5.229 20.717 441 3HZ LYS 62 3HZ LYS 62 17.531 -6.118 19.312 442 HA PRO 63 HA PRO 63 17.188 0.895 12.679 443 1HB PRO 63 1HB PRO 63 16.715 3.326 13.791 444 2HB PRO 63 2HB PRO 63 15.514 2.462 12.823 445 1HG PRO 63 1HG PRO 63 15.767 2.650 15.800 446 2HG PRO 63 2HG PRO 63 14.312 2.756 14.791 447 1HD PRO 63 1HD PRO 63 15.001 0.501 16.123 448 2HD PRO 63 2HD PRO 63 14.150 0.468 14.565 449 H LEU 64 H LEU 64 19.062 2.277 12.667 450 HA LEU 64 HA LEU 64 20.595 2.221 15.182 451 1HB LEU 64 1HB LEU 64 21.959 2.080 12.534 452 2HB LEU 64 2HB LEU 64 22.515 1.526 14.112 453 HG LEU 64 HG LEU 64 20.365 0.175 12.483 454 1HD1 LEU 64 1HD1 LEU 64 22.537 0.055 11.366 455 2HD1 LEU 64 2HD1 LEU 64 22.040 -1.518 11.989 456 3HD1 LEU 64 3HD1 LEU 64 23.262 -0.578 12.844 457 1HD2 LEU 64 1HD2 LEU 64 19.904 -0.689 14.505 458 2HD2 LEU 64 2HD2 LEU 64 21.452 -0.190 15.187 459 3HD2 LEU 64 3HD2 LEU 64 21.347 -1.662 14.219 460 H GLY 65 H GLY 65 20.778 3.681 11.924 461 1HA GLY 65 1HA GLY 65 21.142 6.296 13.239 462 2HA GLY 65 2HA GLY 65 22.205 5.791 11.935 463 H ASN 66 H ASN 66 21.695 6.489 9.973 464 HA ASN 66 HA ASN 66 19.289 7.948 9.512 465 1HB ASN 66 1HB ASN 66 21.802 7.827 8.327 466 2HB ASN 66 2HB ASN 66 20.721 7.179 7.097 467 1HD2 ASN 66 2HD2 ASN 66 18.681 8.503 6.790 468 2HD2 ASN 66 1HD2 ASN 66 18.883 10.218 6.743 469 H ASN 67 H ASN 67 17.547 6.562 9.773 470 HA ASN 67 HA ASN 67 16.073 4.876 9.300 471 1HB ASN 67 1HB ASN 67 16.420 6.519 7.100 472 2HB ASN 67 2HB ASN 67 16.568 4.901 6.421 473 1HD2 ASN 67 2HD2 ASN 67 14.842 3.380 7.629 474 2HD2 ASN 67 1HD2 ASN 67 13.228 3.985 7.514 475 H SER 68 H SER 68 18.796 4.000 9.802 476 HA SER 68 HA SER 68 19.108 1.716 7.999 477 1HB SER 68 1HB SER 68 21.123 1.632 9.954 478 2HB SER 68 2HB SER 68 21.282 2.181 8.286 479 HG SER 68 HG SER 68 21.922 3.878 9.512 480 H TRP 69 H TRP 69 18.010 -0.051 8.516 481 HA TRP 69 HA TRP 69 17.545 -0.663 11.352 482 1HB TRP 69 1HB TRP 69 16.163 -1.737 8.882 483 2HB TRP 69 2HB TRP 69 15.764 -2.169 10.543 484 HD1 TRP 69 HD1 TRP 69 16.141 1.233 8.683 485 HE1 TRP 69 HE1 TRP 69 14.121 2.697 9.315 486 HE3 TRP 69 HE3 TRP 69 13.717 -2.027 11.785 487 HZ2 TRP 69 HZ2 TRP 69 11.806 2.497 10.918 488 HZ3 TRP 69 HZ3 TRP 69 11.605 -1.313 12.828 489 HH2 TRP 69 HH2 TRP 69 10.672 0.902 12.403 490 H THR 70 H THR 70 17.843 -2.814 12.119 491 HA THR 70 HA THR 70 19.538 -4.534 10.448 492 HB THR 70 HB THR 70 20.996 -3.214 11.971 493 HG1 THR 70 HG1 THR 70 22.093 -5.088 12.776 494 1HG2 THR 70 1HG2 THR 70 19.499 -2.930 13.854 495 2HG2 THR 70 2HG2 THR 70 20.954 -3.775 14.385 496 3HG2 THR 70 3HG2 THR 70 19.459 -4.672 14.123 497 H LEU 71 H LEU 71 19.516 -6.759 11.013 498 HA LEU 71 HA LEU 71 17.160 -7.526 12.602 499 1HB LEU 71 1HB LEU 71 18.278 -8.453 10.061 500 2HB LEU 71 2HB LEU 71 17.837 -9.752 11.166 501 HG LEU 71 HG LEU 71 16.030 -9.287 9.614 502 1HD1 LEU 71 1HD1 LEU 71 15.521 -9.997 11.927 503 2HD1 LEU 71 2HD1 LEU 71 14.238 -9.030 11.200 504 3HD1 LEU 71 3HD1 LEU 71 15.332 -8.302 12.376 505 1HD2 LEU 71 1HD2 LEU 71 16.587 -6.510 10.421 506 2HD2 LEU 71 2HD2 LEU 71 14.882 -6.932 10.259 507 3HD2 LEU 71 3HD2 LEU 71 15.979 -7.152 8.895 508 H GLU 72 H GLU 72 17.331 -9.025 14.210 509 HA GLU 72 HA GLU 72 19.795 -10.500 14.594 510 1HB GLU 72 1HB GLU 72 19.854 -9.633 17.035 511 2HB GLU 72 2HB GLU 72 20.549 -8.638 15.764 512 1HG GLU 72 1HG GLU 72 17.701 -8.187 16.426 513 2HG GLU 72 2HG GLU 72 18.901 -7.675 17.611 514 HA PRO 73 HA PRO 73 17.124 -13.489 16.376 515 1HB PRO 73 1HB PRO 73 18.744 -14.658 18.215 516 2HB PRO 73 2HB PRO 73 18.939 -14.895 16.474 517 1HG PRO 73 1HG PRO 73 20.426 -13.061 18.314 518 2HG PRO 73 2HG PRO 73 21.053 -14.090 17.013 519 1HD PRO 73 1HD PRO 73 20.653 -11.429 16.703 520 2HD PRO 73 2HD PRO 73 20.462 -12.585 15.369 521 H ALA 74 H ALA 74 15.480 -13.220 17.737 522 HA ALA 74 HA ALA 74 15.896 -11.663 20.188 523 1HB ALA 74 1HB ALA 74 13.148 -12.392 19.482 524 2HB ALA 74 2HB ALA 74 13.833 -10.827 19.923 525 3HB ALA 74 3HB ALA 74 13.981 -11.420 18.269 526 HA PRO 75 HA PRO 75 15.295 -15.055 22.906 527 1HB PRO 75 1HB PRO 75 13.774 -13.964 24.872 528 2HB PRO 75 2HB PRO 75 15.482 -13.569 24.648 529 1HG PRO 75 1HG PRO 75 13.055 -12.045 23.781 530 2HG PRO 75 2HG PRO 75 14.552 -11.441 24.515 531 1HD PRO 75 1HD PRO 75 14.068 -11.288 21.855 532 2HD PRO 75 2HD PRO 75 15.702 -11.497 22.518 533 H ALA 76 H ALA 76 14.052 -16.800 22.707 534 HA ALA 76 HA ALA 76 11.603 -16.902 21.423 535 1HB ALA 76 1HB ALA 76 13.324 -18.741 22.776 536 2HB ALA 76 2HB ALA 76 11.647 -19.072 23.214 537 3HB ALA 76 3HB ALA 76 12.129 -19.055 21.518 538 HA PRO 77 HA PRO 77 8.485 -15.743 24.284 539 1HB PRO 77 1HB PRO 77 6.521 -17.543 23.767 540 2HB PRO 77 2HB PRO 77 6.942 -16.236 22.655 541 1HG PRO 77 1HG PRO 77 7.746 -19.118 22.581 542 2HG PRO 77 2HG PRO 77 7.223 -18.068 21.251 543 1HD PRO 77 1HD PRO 77 9.828 -18.641 21.716 544 2HD PRO 77 2HD PRO 77 9.298 -17.086 21.042 545 H LYS 78 H LYS 78 7.127 -16.490 26.104 546 HA LYS 78 HA LYS 78 8.609 -18.344 27.752 547 1HB LYS 78 1HB LYS 78 7.468 -17.455 29.555 548 2HB LYS 78 2HB LYS 78 7.457 -16.097 28.438 549 1HG LYS 78 1HG LYS 78 5.200 -18.036 28.901 550 2HG LYS 78 2HG LYS 78 5.289 -16.372 29.482 551 1HD LYS 78 1HD LYS 78 5.312 -15.556 27.186 552 2HD LYS 78 2HD LYS 78 5.278 -17.215 26.583 553 1HE LYS 78 1HE LYS 78 3.087 -17.563 27.358 554 2HE LYS 78 2HE LYS 78 3.142 -16.145 28.404 555 1HZ LYS 78 1HZ LYS 78 3.417 -14.867 26.213 556 2HZ LYS 78 2HZ LYS 78 1.880 -15.446 26.616 557 3HZ LYS 78 3HZ LYS 78 2.821 -16.268 25.476 558 H GLU 79 H GLU 79 6.405 -18.816 25.420 559 HA GLU 79 HA GLU 79 4.639 -20.672 26.720 560 1HB GLU 79 1HB GLU 79 4.316 -19.251 24.518 561 2HB GLU 79 2HB GLU 79 5.044 -20.660 23.760 562 1HG GLU 79 1HG GLU 79 3.296 -22.078 24.677 563 2HG GLU 79 2HG GLU 79 2.576 -20.686 25.483 564 H ASP 80 H ASP 80 4.498 -22.946 26.186 565 HA ASP 80 HA ASP 80 7.154 -24.121 25.694 566 1HB ASP 80 1HB ASP 80 6.417 -24.636 27.918 567 2HB ASP 80 2HB ASP 80 4.827 -25.123 27.339 568 H ALA 81 H ALA 81 7.191 -24.585 23.564 569 HA ALA 81 HA ALA 81 5.189 -26.490 22.587 570 1HB ALA 81 1HB ALA 81 6.106 -24.161 20.914 571 2HB ALA 81 2HB ALA 81 4.844 -25.335 20.539 572 3HB ALA 81 3HB ALA 81 4.603 -24.166 21.837 573 H LEU 82 H LEU 82 5.999 -27.070 20.157 574 HA LEU 82 HA LEU 82 8.512 -28.387 20.575 575 1HB LEU 82 1HB LEU 82 6.416 -28.370 18.476 576 2HB LEU 82 2HB LEU 82 8.030 -28.902 18.010 577 HG LEU 82 HG LEU 82 7.823 -30.520 20.018 578 1HD1 LEU 82 1HD1 LEU 82 5.627 -31.139 20.678 579 2HD1 LEU 82 2HD1 LEU 82 4.896 -30.064 19.487 580 3HD1 LEU 82 3HD1 LEU 82 5.753 -29.390 20.873 581 1HD2 LEU 82 1HD2 LEU 82 6.233 -30.840 17.477 582 2HD2 LEU 82 2HD2 LEU 82 6.619 -32.157 18.585 583 3HD2 LEU 82 3HD2 LEU 82 7.914 -31.298 17.749 584 H THR 83 H THR 83 9.916 -26.567 20.820 585 HA THR 83 HA THR 83 10.739 -25.433 18.234 586 HB THR 83 HB THR 83 9.515 -23.708 19.528 587 HG1 THR 83 HG1 THR 83 11.118 -22.950 18.168 588 1HG2 THR 83 1HG2 THR 83 10.916 -24.782 21.701 589 2HG2 THR 83 2HG2 THR 83 9.852 -23.376 21.708 590 3HG2 THR 83 3HG2 THR 83 11.585 -23.169 21.461 591 H VAL 84 H VAL 84 12.993 -24.433 18.424 592 HA VAL 84 HA VAL 84 14.674 -26.210 20.070 593 HB VAL 84 HB VAL 84 16.433 -25.935 18.376 594 1HG1 VAL 84 1HG1 VAL 84 15.353 -27.893 17.937 595 2HG1 VAL 84 2HG1 VAL 84 13.787 -27.110 17.719 596 3HG1 VAL 84 3HG1 VAL 84 14.997 -27.036 16.438 597 1HG2 VAL 84 1HG2 VAL 84 14.352 -24.236 17.038 598 2HG2 VAL 84 2HG2 VAL 84 16.030 -23.840 17.406 599 3HG2 VAL 84 3HG2 VAL 84 15.657 -24.994 16.126 600 H VAL 85 H VAL 85 16.654 -25.342 20.899 601 HA VAL 85 HA VAL 85 16.372 -22.579 21.729 602 HB VAL 85 HB VAL 85 18.522 -24.571 22.460 603 1HG1 VAL 85 1HG1 VAL 85 18.793 -23.043 24.433 604 2HG1 VAL 85 2HG1 VAL 85 19.293 -22.358 22.886 605 3HG1 VAL 85 3HG1 VAL 85 17.749 -21.892 23.599 606 1HG2 VAL 85 1HG2 VAL 85 16.609 -25.556 23.306 607 2HG2 VAL 85 2HG2 VAL 85 17.132 -24.552 24.658 608 3HG2 VAL 85 3HG2 VAL 85 15.821 -24.008 23.612 609 H GLY 86 H GLY 86 18.190 -24.413 19.439 610 1HA GLY 86 1HA GLY 86 19.709 -23.779 17.839 611 2HA GLY 86 2HA GLY 86 19.200 -22.124 18.142 612 H ASP 87 H ASP 87 21.113 -21.076 18.194 613 HA ASP 87 HA ASP 87 23.173 -22.085 20.038 614 1HB ASP 87 1HB ASP 87 23.754 -21.736 17.588 615 2HB ASP 87 2HB ASP 87 23.565 -20.009 17.882 616 H TRP 88 H TRP 88 23.582 -20.997 21.847 617 HA TRP 88 HA TRP 88 22.820 -18.165 22.007 618 1HB TRP 88 1HB TRP 88 21.188 -19.916 23.110 619 2HB TRP 88 2HB TRP 88 22.399 -19.925 24.389 620 HD1 TRP 88 HD1 TRP 88 22.335 -17.973 26.094 621 HE1 TRP 88 HE1 TRP 88 20.902 -15.851 26.358 622 HE3 TRP 88 HE3 TRP 88 19.924 -18.057 21.587 623 HZ2 TRP 88 HZ2 TRP 88 19.000 -14.405 24.854 624 HZ3 TRP 88 HZ3 TRP 88 18.313 -16.268 21.077 625 HH2 TRP 88 HH2 TRP 88 17.862 -14.481 22.679 626 H LEU 89 H LEU 89 23.820 -17.072 23.920 627 HA LEU 89 HA LEU 89 26.215 -18.327 24.977 628 1HB LEU 89 1HB LEU 89 26.345 -15.784 23.364 629 2HB LEU 89 2HB LEU 89 27.682 -16.511 24.252 630 HG LEU 89 HG LEU 89 26.287 -17.854 21.942 631 1HD1 LEU 89 1HD1 LEU 89 28.057 -15.632 21.894 632 2HD1 LEU 89 2HD1 LEU 89 27.392 -16.545 20.540 633 3HD1 LEU 89 3HD1 LEU 89 28.915 -17.044 21.276 634 1HD2 LEU 89 1HD2 LEU 89 27.509 -19.273 23.597 635 2HD2 LEU 89 2HD2 LEU 89 28.980 -18.394 23.182 636 3HD2 LEU 89 3HD2 LEU 89 28.148 -19.350 21.955 637 H GLY 90 H GLY 90 27.465 -16.286 26.169 638 1HA GLY 90 1HA GLY 90 25.375 -14.888 27.716 639 2HA GLY 90 2HA GLY 90 26.694 -15.727 28.519 640 H ASP 91 H ASP 91 25.632 -12.773 27.510 641 HA ASP 91 HA ASP 91 28.377 -11.705 27.394 642 1HB ASP 91 1HB ASP 91 27.159 -9.722 26.211 643 2HB ASP 91 2HB ASP 91 27.541 -11.176 25.292 644 H ALA 92 H ALA 92 27.370 -12.123 29.852 645 HA ALA 92 HA ALA 92 26.406 -9.486 30.744 646 1HB ALA 92 1HB ALA 92 25.560 -10.605 32.740 647 2HB ALA 92 2HB ALA 92 24.885 -11.321 31.275 648 3HB ALA 92 3HB ALA 92 26.178 -12.147 32.145 649 H ARG 93 H ARG 93 27.423 -8.443 32.449 650 HA ARG 93 HA ARG 93 29.971 -9.613 33.351 651 1HB ARG 93 1HB ARG 93 29.473 -6.721 32.620 652 2HB ARG 93 2HB ARG 93 30.969 -7.364 33.282 653 1HG ARG 93 1HG ARG 93 29.888 -8.540 30.772 654 2HG ARG 93 2HG ARG 93 30.689 -6.969 30.711 655 1HD ARG 93 1HD ARG 93 32.400 -8.509 30.299 656 2HD ARG 93 2HD ARG 93 32.589 -8.090 32.001 657 HE ARG 93 HE ARG 93 30.945 -10.384 31.688 658 1HH1 ARG 93 2HH1 ARG 93 34.259 -9.320 31.603 659 2HH1 ARG 93 1HH1 ARG 93 34.904 -10.868 32.040 660 1HH2 ARG 93 2HH2 ARG 93 31.782 -12.426 32.264 661 2HH2 ARG 93 1HH2 ARG 93 33.494 -12.634 32.415 662 H GLU 94 H GLU 94 30.288 -9.607 35.490 663 HA GLU 94 HA GLU 94 28.238 -8.911 37.275 664 1HB GLU 94 1HB GLU 94 29.842 -9.404 39.047 665 2HB GLU 94 2HB GLU 94 29.930 -10.616 37.776 666 1HG GLU 94 1HG GLU 94 31.786 -8.305 37.633 667 2HG GLU 94 2HG GLU 94 32.092 -9.551 38.843 668 H ASN 95 H ASN 95 29.112 -7.557 39.370 669 HA ASN 95 HA ASN 95 29.352 -5.462 40.221 670 1HB ASN 95 1HB ASN 95 31.675 -5.960 39.084 671 2HB ASN 95 2HB ASN 95 31.163 -4.704 37.961 672 1HD2 ASN 95 2HD2 ASN 95 32.658 -3.205 38.566 673 2HD2 ASN 95 1HD2 ASN 95 32.664 -2.436 40.113 674 H ASP 96 H ASP 96 27.206 -5.911 38.395 675 HA ASP 96 HA ASP 96 26.998 -3.346 36.979 676 1HB ASP 96 1HB ASP 96 25.206 -4.329 35.701 677 2HB ASP 96 2HB ASP 96 26.567 -5.447 35.698 678 H LEU 97 H LEU 97 26.825 -3.210 39.735 679 HA LEU 97 HA LEU 97 23.971 -3.036 40.358 680 1HB LEU 97 1HB LEU 97 26.477 -3.108 41.966 681 2HB LEU 97 2HB LEU 97 25.051 -2.337 42.656 682 HG LEU 97 HG LEU 97 25.342 -4.683 43.373 683 1HD1 LEU 97 1HD1 LEU 97 23.153 -4.396 43.668 684 2HD1 LEU 97 2HD1 LEU 97 22.944 -5.294 42.165 685 3HD1 LEU 97 3HD1 LEU 97 22.976 -3.531 42.141 686 1HD2 LEU 97 1HD2 LEU 97 25.456 -6.454 41.957 687 2HD2 LEU 97 2HD2 LEU 97 26.182 -5.235 40.910 688 3HD2 LEU 97 3HD2 LEU 97 24.483 -5.668 40.714 689 H GLU 98 H GLU 98 23.795 -1.212 38.818 690 HA GLU 98 HA GLU 98 24.207 1.303 40.241 691 1HB GLU 98 1HB GLU 98 26.069 0.727 38.458 692 2HB GLU 98 2HB GLU 98 24.845 1.278 37.323 693 1HG GLU 98 1HG GLU 98 26.047 3.196 37.719 694 2HG GLU 98 2HG GLU 98 24.704 3.358 38.849 695 H HIS 99 H HIS 99 22.690 2.878 39.782 696 HA HIS 99 HA HIS 99 20.642 3.691 39.214 697 1HB HIS 99 1HB HIS 99 21.009 2.168 36.631 698 2HB HIS 99 2HB HIS 99 20.019 3.600 36.895 699 HD1 HIS 99 HD1 HIS 99 22.437 3.281 34.819 700 HD2 HIS 99 HD2 HIS 99 22.533 5.258 38.472 701 HE1 HIS 99 HE1 HIS 99 24.317 4.941 34.635 702 H HIS 100 H HIS 100 20.345 1.676 40.888 703 HA HIS 100 HA HIS 100 18.215 -0.004 39.737 704 1HB HIS 100 1HB HIS 100 20.374 -1.073 40.727 705 2HB HIS 100 2HB HIS 100 19.649 -0.689 42.285 706 HD1 HIS 100 HD1 HIS 100 18.784 -2.834 43.165 707 HD2 HIS 100 HD2 HIS 100 17.914 -2.351 39.131 708 HE1 HIS 100 HE1 HIS 100 17.361 -4.812 42.542 709 H HIS 101 H HIS 101 17.700 2.621 40.585 710 HA HIS 101 HA HIS 101 16.756 2.753 43.250 711 1HB HIS 101 1HB HIS 101 16.235 4.390 40.780 712 2HB HIS 101 2HB HIS 101 15.385 4.718 42.287 713 HD1 HIS 101 HD1 HIS 101 18.962 4.468 41.028 714 HD2 HIS 101 HD2 HIS 101 16.725 6.376 43.963 715 HE1 HIS 101 HE1 HIS 101 20.554 6.049 42.165 716 H HIS 102 H HIS 102 15.381 1.571 40.284 717 HA HIS 102 HA HIS 102 12.952 0.821 41.763 718 1HB HIS 102 1HB HIS 102 12.646 2.765 40.118 719 2HB HIS 102 2HB HIS 102 12.900 1.575 38.846 720 HD1 HIS 102 HD1 HIS 102 11.225 -0.557 40.816 721 HD2 HIS 102 HD2 HIS 102 9.983 3.001 39.066 722 HE1 HIS 102 HE1 HIS 102 8.718 -0.708 40.691 723 H HIS 103 H HIS 103 14.637 0.238 38.671 724 HA HIS 103 HA HIS 103 14.766 -2.593 39.223 725 1HB HIS 103 1HB HIS 103 12.861 -1.441 37.233 726 2HB HIS 103 2HB HIS 103 13.677 -2.949 36.832 727 HD1 HIS 103 HD1 HIS 103 10.558 -2.133 37.840 728 HD2 HIS 103 HD2 HIS 103 13.434 -4.543 39.625 729 HE1 HIS 103 HE1 HIS 103 9.290 -3.669 39.375 730 H HIS 104 H HIS 104 15.699 -3.742 37.173 731 HA HIS 104 HA HIS 104 17.952 -2.095 36.282 732 1HB HIS 104 1HB HIS 104 18.481 -4.217 37.414 733 2HB HIS 104 2HB HIS 104 17.580 -5.097 36.183 734 HD1 HIS 104 HD1 HIS 104 19.051 -6.103 34.485 735 HD2 HIS 104 HD2 HIS 104 20.658 -2.590 36.016 736 HE1 HIS 104 HE1 HIS 104 21.263 -5.814 33.325 Start of MODEL 10 1 1H ALA 1 H ALA 1 0.909 1.421 -2.450 2 HA ALA 1 HA ALA 1 3.067 0.758 -2.164 3 1HB ALA 1 1HB ALA 1 3.752 0.704 -0.031 4 2HB ALA 1 2HB ALA 1 2.063 1.042 0.349 5 3HB ALA 1 3HB ALA 1 2.661 -0.616 0.390 6 H GLN 2 H GLN 2 1.311 -0.979 -3.570 7 HA GLN 2 HA GLN 2 1.607 -3.677 -2.772 8 1HB GLN 2 1HB GLN 2 0.140 -2.392 -4.673 9 2HB GLN 2 2HB GLN 2 1.377 -3.155 -5.663 10 1HG GLN 2 1HG GLN 2 -0.358 -4.605 -3.678 11 2HG GLN 2 2HG GLN 2 -0.672 -4.509 -5.410 12 1HE2 GLN 2 2HE2 GLN 2 0.385 -5.842 -6.770 13 2HE2 GLN 2 1HE2 GLN 2 1.540 -7.026 -6.273 14 H VAL 3 H VAL 3 3.305 -4.986 -2.881 15 HA VAL 3 HA VAL 3 5.397 -4.462 -4.871 16 HB VAL 3 HB VAL 3 5.907 -4.952 -1.933 17 1HG1 VAL 3 1HG1 VAL 3 7.738 -4.936 -4.313 18 2HG1 VAL 3 2HG1 VAL 3 8.326 -4.598 -2.683 19 3HG1 VAL 3 3HG1 VAL 3 7.581 -6.155 -3.048 20 1HG2 VAL 3 1HG2 VAL 3 5.302 -2.652 -2.401 21 2HG2 VAL 3 2HG2 VAL 3 7.022 -2.755 -2.027 22 3HG2 VAL 3 3HG2 VAL 3 6.492 -2.576 -3.699 23 H ASN 4 H ASN 4 5.850 -6.238 -5.984 24 HA ASN 4 HA ASN 4 5.328 -8.853 -4.728 25 1HB ASN 4 1HB ASN 4 5.107 -9.552 -7.256 26 2HB ASN 4 2HB ASN 4 3.746 -8.820 -6.413 27 1HD2 ASN 4 2HD2 ASN 4 6.209 -8.383 -8.808 28 2HD2 ASN 4 1HD2 ASN 4 5.579 -6.923 -9.486 29 H ILE 5 H ILE 5 7.250 -9.654 -4.154 30 HA ILE 5 HA ILE 5 9.446 -9.520 -6.117 31 HB ILE 5 HB ILE 5 9.663 -9.719 -3.111 32 1HG1 ILE 5 1HG1 ILE 5 10.606 -7.447 -4.849 33 2HG1 ILE 5 2HG1 ILE 5 8.973 -7.486 -4.191 34 1HG2 ILE 5 1HG2 ILE 5 11.468 -10.924 -4.095 35 2HG2 ILE 5 2HG2 ILE 5 11.756 -9.645 -5.273 36 3HG2 ILE 5 3HG2 ILE 5 12.100 -9.364 -3.567 37 1HD1 ILE 5 1HD1 ILE 5 11.306 -7.824 -2.367 38 2HD1 ILE 5 2HD1 ILE 5 10.854 -6.217 -2.938 39 3HD1 ILE 5 3HD1 ILE 5 9.695 -7.189 -2.031 40 H ALA 6 H ALA 6 10.341 -11.379 -6.792 41 HA ALA 6 HA ALA 6 9.127 -13.868 -5.940 42 1HB ALA 6 1HB ALA 6 11.353 -13.720 -7.927 43 2HB ALA 6 2HB ALA 6 9.967 -14.810 -7.871 44 3HB ALA 6 3HB ALA 6 9.747 -13.130 -8.358 45 HA PRO 7 HA PRO 7 12.317 -14.862 -3.041 46 1HB PRO 7 1HB PRO 7 11.697 -17.486 -2.727 47 2HB PRO 7 2HB PRO 7 10.744 -16.181 -2.011 48 1HG PRO 7 1HG PRO 7 10.232 -17.749 -4.508 49 2HG PRO 7 2HG PRO 7 9.092 -17.261 -3.241 50 1HD PRO 7 1HD PRO 7 9.302 -15.944 -5.597 51 2HD PRO 7 2HD PRO 7 8.879 -15.125 -4.080 52 H GLY 8 H GLY 8 13.576 -17.277 -2.829 53 1HA GLY 8 1HA GLY 8 14.853 -18.871 -4.090 54 2HA GLY 8 2HA GLY 8 14.768 -17.788 -5.472 55 H SER 9 H SER 9 15.369 -16.007 -2.720 56 HA SER 9 HA SER 9 18.081 -16.398 -2.216 57 1HB SER 9 1HB SER 9 17.580 -15.133 -4.747 58 2HB SER 9 2HB SER 9 18.378 -13.988 -3.670 59 HG SER 9 HG SER 9 19.533 -15.863 -5.024 60 H LEU 10 H LEU 10 18.080 -15.631 -0.214 61 HA LEU 10 HA LEU 10 16.321 -13.670 0.764 62 1HB LEU 10 1HB LEU 10 17.508 -15.425 2.100 63 2HB LEU 10 2HB LEU 10 18.975 -14.459 1.952 64 HG LEU 10 HG LEU 10 16.517 -13.246 3.146 65 1HD1 LEU 10 1HD1 LEU 10 18.229 -15.357 4.337 66 2HD1 LEU 10 2HD1 LEU 10 16.518 -15.011 4.584 67 3HD1 LEU 10 3HD1 LEU 10 17.742 -14.009 5.363 68 1HD2 LEU 10 1HD2 LEU 10 19.129 -12.395 2.643 69 2HD2 LEU 10 2HD2 LEU 10 19.054 -12.670 4.383 70 3HD2 LEU 10 3HD2 LEU 10 17.905 -11.575 3.612 71 H ASP 11 H ASP 11 19.686 -13.485 -0.307 72 HA ASP 11 HA ASP 11 20.244 -10.864 0.448 73 1HB ASP 11 1HB ASP 11 22.099 -12.064 -0.288 74 2HB ASP 11 2HB ASP 11 21.273 -12.650 -1.729 75 H LYS 12 H LYS 12 18.974 -12.059 -2.656 76 HA LYS 12 HA LYS 12 18.641 -9.491 -3.800 77 1HB LYS 12 1HB LYS 12 18.431 -10.834 -5.574 78 2HB LYS 12 2HB LYS 12 18.147 -12.233 -4.547 79 1HG LYS 12 1HG LYS 12 15.800 -11.800 -4.486 80 2HG LYS 12 2HG LYS 12 16.013 -10.250 -5.302 81 1HD LYS 12 1HD LYS 12 15.214 -11.870 -6.894 82 2HD LYS 12 2HD LYS 12 16.890 -11.468 -7.279 83 1HE LYS 12 1HE LYS 12 16.785 -13.799 -7.474 84 2HE LYS 12 2HE LYS 12 17.512 -13.522 -5.892 85 1HZ LYS 12 1HZ LYS 12 15.459 -13.997 -4.830 86 2HZ LYS 12 2HZ LYS 12 15.741 -15.246 -5.935 87 3HZ LYS 12 3HZ LYS 12 14.619 -14.033 -6.298 88 H ALA 13 H ALA 13 16.396 -11.697 -2.161 89 HA ALA 13 HA ALA 13 14.040 -10.278 -2.483 90 1HB ALA 13 1HB ALA 13 14.183 -12.536 -1.519 91 2HB ALA 13 2HB ALA 13 14.866 -11.849 -0.045 92 3HB ALA 13 3HB ALA 13 13.218 -11.445 -0.525 93 H LEU 14 H LEU 14 16.734 -9.659 -0.355 94 HA LEU 14 HA LEU 14 15.373 -7.810 1.343 95 1HB LEU 14 1HB LEU 14 17.214 -8.591 2.415 96 2HB LEU 14 2HB LEU 14 18.159 -8.714 0.932 97 HG LEU 14 HG LEU 14 18.517 -6.278 0.983 98 1HD1 LEU 14 1HD1 LEU 14 16.676 -5.385 2.097 99 2HD1 LEU 14 2HD1 LEU 14 17.999 -5.184 3.245 100 3HD1 LEU 14 3HD1 LEU 14 16.839 -6.495 3.458 101 1HD2 LEU 14 1HD2 LEU 14 19.336 -7.225 3.681 102 2HD2 LEU 14 2HD2 LEU 14 20.275 -6.398 2.439 103 3HD2 LEU 14 3HD2 LEU 14 19.906 -8.115 2.269 104 H ASN 15 H ASN 15 17.807 -7.364 -1.229 105 HA ASN 15 HA ASN 15 17.688 -4.567 -1.290 106 1HB ASN 15 1HB ASN 15 19.250 -4.768 -2.899 107 2HB ASN 15 2HB ASN 15 19.171 -6.497 -2.576 108 1HD2 ASN 15 2HD2 ASN 15 17.754 -7.783 -3.896 109 2HD2 ASN 15 1HD2 ASN 15 17.417 -7.294 -5.518 110 H GLN 16 H GLN 16 15.690 -7.006 -2.800 111 HA GLN 16 HA GLN 16 14.419 -5.435 -4.735 112 1HB GLN 16 1HB GLN 16 13.468 -7.840 -3.181 113 2HB GLN 16 2HB GLN 16 12.533 -7.110 -4.479 114 1HG GLN 16 1HG GLN 16 15.295 -7.703 -5.210 115 2HG GLN 16 2HG GLN 16 14.349 -9.123 -4.768 116 1HE2 GLN 16 2HE2 GLN 16 14.547 -9.801 -6.956 117 2HE2 GLN 16 1HE2 GLN 16 13.528 -9.130 -8.179 118 H TYR 17 H TYR 17 13.273 -6.274 -1.462 119 HA TYR 17 HA TYR 17 11.105 -4.417 -1.576 120 1HB TYR 17 1HB TYR 17 10.452 -5.294 0.434 121 2HB TYR 17 2HB TYR 17 11.508 -6.598 -0.097 122 HD1 TYR 17 HD1 TYR 17 13.558 -7.074 1.043 123 HD2 TYR 17 HD2 TYR 17 11.224 -3.693 2.152 124 HE1 TYR 17 HE1 TYR 17 14.905 -6.821 3.086 125 HE2 TYR 17 HE2 TYR 17 12.565 -3.430 4.196 126 HH TYR 17 HH TYR 17 15.247 -4.303 4.763 127 H ALA 18 H ALA 18 14.384 -4.347 -0.347 128 HA ALA 18 HA ALA 18 14.227 -2.071 1.272 129 1HB ALA 18 1HB ALA 18 16.153 -3.534 1.317 130 2HB ALA 18 2HB ALA 18 16.555 -3.100 -0.344 131 3HB ALA 18 3HB ALA 18 16.660 -1.889 0.933 132 H ALA 19 H ALA 19 14.753 -2.407 -2.204 133 HA ALA 19 HA ALA 19 15.203 0.398 -2.619 134 1HB ALA 19 1HB ALA 19 14.471 -1.621 -4.725 135 2HB ALA 19 2HB ALA 19 15.368 -0.114 -4.920 136 3HB ALA 19 3HB ALA 19 16.100 -1.471 -4.064 137 H HIS 20 H HIS 20 12.448 -1.680 -2.457 138 HA HIS 20 HA HIS 20 10.665 0.012 -3.925 139 1HB HIS 20 1HB HIS 20 10.376 -2.427 -2.223 140 2HB HIS 20 2HB HIS 20 8.942 -1.466 -2.571 141 HD1 HIS 20 HD1 HIS 20 9.036 -0.841 -5.422 142 HD2 HIS 20 HD2 HIS 20 10.470 -4.464 -3.979 143 HE1 HIS 20 HE1 HIS 20 8.999 -2.410 -7.387 144 H SER 21 H SER 21 11.774 -0.173 -0.646 145 HA SER 21 HA SER 21 9.657 1.566 0.336 146 1HB SER 21 1HB SER 21 12.018 0.258 1.699 147 2HB SER 21 2HB SER 21 10.894 1.338 2.524 148 HG SER 21 HG SER 21 9.238 -0.204 1.632 149 H GLY 22 H GLY 22 13.229 1.641 0.408 150 1HA GLY 22 1HA GLY 22 14.333 3.609 -0.582 151 2HA GLY 22 2HA GLY 22 13.046 4.577 0.123 152 H PHE 23 H PHE 23 14.409 1.945 1.923 153 HA PHE 23 HA PHE 23 15.921 3.868 3.563 154 1HB PHE 23 1HB PHE 23 15.118 2.942 5.555 155 2HB PHE 23 2HB PHE 23 13.690 2.975 4.526 156 HD1 PHE 23 HD1 PHE 23 15.549 1.024 6.729 157 HD2 PHE 23 HD2 PHE 23 13.363 0.765 3.086 158 HE1 PHE 23 HE1 PHE 23 15.244 -1.391 7.088 159 HE2 PHE 23 HE2 PHE 23 13.053 -1.650 3.440 160 HZ PHE 23 HZ PHE 23 13.993 -2.731 5.443 161 H THR 24 H THR 24 17.482 2.667 5.073 162 HA THR 24 HA THR 24 18.894 0.652 3.464 163 HB THR 24 HB THR 24 20.008 2.364 5.692 164 HG1 THR 24 HG1 THR 24 20.203 3.853 4.213 165 1HG2 THR 24 1HG2 THR 24 21.474 0.596 5.584 166 2HG2 THR 24 2HG2 THR 24 22.160 1.651 4.349 167 3HG2 THR 24 3HG2 THR 24 21.145 0.288 3.879 168 H LEU 25 H LEU 25 19.732 -1.217 4.426 169 HA LEU 25 HA LEU 25 18.897 -1.793 7.175 170 1HB LEU 25 1HB LEU 25 17.159 -2.682 5.708 171 2HB LEU 25 2HB LEU 25 18.375 -3.583 4.804 172 HG LEU 25 HG LEU 25 18.747 -4.495 7.365 173 1HD1 LEU 25 1HD1 LEU 25 16.716 -3.270 8.078 174 2HD1 LEU 25 2HD1 LEU 25 16.589 -5.016 8.286 175 3HD1 LEU 25 3HD1 LEU 25 15.776 -4.228 6.934 176 1HD2 LEU 25 1HD2 LEU 25 18.671 -5.799 5.276 177 2HD2 LEU 25 2HD2 LEU 25 16.913 -5.654 5.269 178 3HD2 LEU 25 3HD2 LEU 25 17.720 -6.536 6.566 179 H SER 26 H SER 26 20.343 -2.952 8.326 180 HA SER 26 HA SER 26 22.674 -4.020 6.871 181 1HB SER 26 1HB SER 26 22.625 -2.003 8.811 182 2HB SER 26 2HB SER 26 23.215 -3.432 9.658 183 HG SER 26 HG SER 26 24.257 -2.428 7.215 184 H VAL 27 H VAL 27 22.309 -6.160 6.781 185 HA VAL 27 HA VAL 27 21.901 -7.562 9.335 186 HB VAL 27 HB VAL 27 19.771 -7.702 8.288 187 1HG1 VAL 27 1HG1 VAL 27 21.363 -8.148 5.809 188 2HG1 VAL 27 2HG1 VAL 27 19.740 -8.832 5.919 189 3HG1 VAL 27 3HG1 VAL 27 19.978 -7.092 6.086 190 1HG2 VAL 27 1HG2 VAL 27 21.189 -10.269 7.597 191 2HG2 VAL 27 2HG2 VAL 27 20.736 -9.804 9.237 192 3HG2 VAL 27 3HG2 VAL 27 19.489 -10.062 8.016 193 H ASP 28 H ASP 28 23.126 -9.353 9.650 194 HA ASP 28 HA ASP 28 25.453 -9.724 8.122 195 1HB ASP 28 1HB ASP 28 24.114 -11.274 10.309 196 2HB ASP 28 2HB ASP 28 25.484 -11.982 9.457 197 H ALA 29 H ALA 29 25.405 -10.368 6.064 198 HA ALA 29 HA ALA 29 23.407 -12.152 5.042 199 1HB ALA 29 1HB ALA 29 24.262 -11.706 2.947 200 2HB ALA 29 2HB ALA 29 24.694 -10.241 3.830 201 3HB ALA 29 3HB ALA 29 25.907 -11.490 3.547 202 H SER 30 H SER 30 25.937 -12.768 6.968 203 HA SER 30 HA SER 30 27.463 -14.766 5.864 204 1HB SER 30 1HB SER 30 26.463 -15.188 8.645 205 2HB SER 30 2HB SER 30 28.106 -15.300 8.012 206 HG SER 30 HG SER 30 27.860 -12.910 7.732 207 H LEU 31 H LEU 31 24.296 -15.116 7.439 208 HA LEU 31 HA LEU 31 24.163 -17.922 6.723 209 1HB LEU 31 1HB LEU 31 21.792 -17.607 7.720 210 2HB LEU 31 2HB LEU 31 23.198 -17.590 8.782 211 HG LEU 31 HG LEU 31 23.100 -15.167 8.913 212 1HD1 LEU 31 1HD1 LEU 31 22.306 -14.287 6.968 213 2HD1 LEU 31 2HD1 LEU 31 20.836 -14.213 7.939 214 3HD1 LEU 31 3HD1 LEU 31 21.063 -15.525 6.783 215 1HD2 LEU 31 1HD2 LEU 31 21.687 -16.683 10.389 216 2HD2 LEU 31 2HD2 LEU 31 20.319 -16.201 9.386 217 3HD2 LEU 31 3HD2 LEU 31 21.213 -14.986 10.302 218 H THR 32 H THR 32 23.427 -14.985 5.261 219 HA THR 32 HA THR 32 21.079 -15.684 3.828 220 HB THR 32 HB THR 32 23.203 -13.608 3.283 221 HG1 THR 32 HG1 THR 32 20.775 -13.698 4.658 222 1HG2 THR 32 1HG2 THR 32 21.049 -14.572 1.580 223 2HG2 THR 32 2HG2 THR 32 22.393 -13.495 1.199 224 3HG2 THR 32 3HG2 THR 32 20.920 -12.848 1.921 225 H ARG 33 H ARG 33 24.533 -15.883 3.076 226 HA ARG 33 HA ARG 33 24.432 -16.586 0.412 227 1HB ARG 33 1HB ARG 33 26.317 -17.164 2.643 228 2HB ARG 33 2HB ARG 33 26.503 -18.089 1.159 229 1HG ARG 33 1HG ARG 33 27.890 -15.985 1.378 230 2HG ARG 33 2HG ARG 33 26.959 -16.168 -0.110 231 1HD ARG 33 1HD ARG 33 25.403 -14.560 0.519 232 2HD ARG 33 2HD ARG 33 25.817 -14.690 2.228 233 HE ARG 33 HE ARG 33 27.025 -12.974 0.305 234 1HH1 ARG 33 2HH1 ARG 33 27.668 -14.840 3.173 235 2HH1 ARG 33 1HH1 ARG 33 28.995 -13.848 3.679 236 1HH2 ARG 33 2HH2 ARG 33 28.771 -11.660 0.961 237 2HH2 ARG 33 1HH2 ARG 33 29.621 -12.039 2.420 238 H GLY 34 H GLY 34 23.315 -18.132 -0.571 239 1HA GLY 34 1HA GLY 34 22.832 -20.369 -1.102 240 2HA GLY 34 2HA GLY 34 23.386 -20.845 0.497 241 H LYS 35 H LYS 35 21.844 -19.190 2.097 242 HA LYS 35 HA LYS 35 19.411 -20.628 2.188 243 1HB LYS 35 1HB LYS 35 20.760 -19.334 4.051 244 2HB LYS 35 2HB LYS 35 19.711 -18.002 3.584 245 1HG LYS 35 1HG LYS 35 17.750 -19.427 4.038 246 2HG LYS 35 2HG LYS 35 18.837 -20.704 4.587 247 1HD LYS 35 1HD LYS 35 17.960 -19.462 6.484 248 2HD LYS 35 2HD LYS 35 19.700 -19.203 6.330 249 1HE LYS 35 1HE LYS 35 19.460 -17.016 5.748 250 2HE LYS 35 2HE LYS 35 17.913 -17.285 4.947 251 1HZ LYS 35 1HZ LYS 35 18.137 -16.063 7.282 252 2HZ LYS 35 2HZ LYS 35 17.957 -17.652 7.833 253 3HZ LYS 35 3HZ LYS 35 16.769 -16.960 6.847 254 H GLN 36 H GLN 36 17.237 -19.647 2.171 255 HA GLN 36 HA GLN 36 17.019 -17.455 0.218 256 1HB GLN 36 1HB GLN 36 15.134 -18.557 -0.823 257 2HB GLN 36 2HB GLN 36 16.518 -19.642 -0.830 258 1HG GLN 36 1HG GLN 36 15.268 -20.310 1.507 259 2HG GLN 36 2HG GLN 36 13.913 -19.926 0.447 260 1HE2 GLN 36 2HE2 GLN 36 13.112 -21.724 -0.354 261 2HE2 GLN 36 1HE2 GLN 36 14.017 -23.060 -0.968 262 H SER 37 H SER 37 14.546 -16.752 0.178 263 HA SER 37 HA SER 37 13.314 -16.789 2.797 264 1HB SER 37 1HB SER 37 14.658 -14.972 3.339 265 2HB SER 37 2HB SER 37 14.688 -14.369 1.682 266 HG SER 37 HG SER 37 12.607 -13.620 1.933 267 H ASN 38 H ASN 38 11.155 -16.098 2.786 268 HA ASN 38 HA ASN 38 9.798 -16.450 0.317 269 1HB ASN 38 1HB ASN 38 8.784 -15.472 2.996 270 2HB ASN 38 2HB ASN 38 7.758 -15.906 1.632 271 1HD2 ASN 38 2HD2 ASN 38 7.294 -17.180 3.906 272 2HD2 ASN 38 1HD2 ASN 38 7.867 -18.809 3.850 273 H GLY 39 H GLY 39 9.430 -15.004 -1.224 274 1HA GLY 39 1HA GLY 39 10.211 -12.303 -1.032 275 2HA GLY 39 2HA GLY 39 9.240 -12.997 -2.322 276 H LEU 40 H LEU 40 8.439 -10.638 -1.985 277 HA LEU 40 HA LEU 40 6.347 -10.571 0.075 278 1HB LEU 40 1HB LEU 40 7.994 -8.711 -0.016 279 2HB LEU 40 2HB LEU 40 7.395 -8.314 -1.626 280 HG LEU 40 HG LEU 40 5.258 -7.674 -0.735 281 1HD1 LEU 40 1HD1 LEU 40 6.138 -9.235 1.540 282 2HD1 LEU 40 2HD1 LEU 40 4.512 -8.746 1.064 283 3HD1 LEU 40 3HD1 LEU 40 5.516 -7.656 2.019 284 1HD2 LEU 40 1HD2 LEU 40 7.488 -6.515 0.933 285 2HD2 LEU 40 2HD2 LEU 40 5.910 -5.778 0.656 286 3HD2 LEU 40 3HD2 LEU 40 7.031 -5.994 -0.689 287 H HIS 41 H HIS 41 4.219 -9.895 -0.472 288 HA HIS 41 HA HIS 41 3.448 -9.612 -3.228 289 1HB HIS 41 1HB HIS 41 3.650 -12.202 -2.379 290 2HB HIS 41 2HB HIS 41 1.964 -11.846 -2.014 291 HD1 HIS 41 HD1 HIS 41 0.351 -11.803 -3.944 292 HD2 HIS 41 HD2 HIS 41 4.318 -11.946 -5.170 293 HE1 HIS 41 HE1 HIS 41 0.274 -12.196 -6.427 294 H GLY 42 H GLY 42 2.361 -7.760 -2.779 295 1HA GLY 42 1HA GLY 42 -0.064 -7.230 -2.343 296 2HA GLY 42 2HA GLY 42 0.217 -7.927 -0.754 297 H ASP 43 H ASP 43 -0.791 -5.437 -0.851 298 HA ASP 43 HA ASP 43 1.207 -3.399 -0.853 299 1HB ASP 43 1HB ASP 43 -0.947 -2.609 -1.315 300 2HB ASP 43 2HB ASP 43 -1.669 -3.527 0.004 301 H TYR 44 H TYR 44 2.713 -3.137 0.644 302 HA TYR 44 HA TYR 44 2.021 -3.316 3.457 303 1HB TYR 44 1HB TYR 44 4.216 -5.019 2.259 304 2HB TYR 44 2HB TYR 44 3.908 -4.822 3.981 305 HD1 TYR 44 HD1 TYR 44 3.090 -6.661 1.024 306 HD2 TYR 44 HD2 TYR 44 1.649 -5.594 4.882 307 HE1 TYR 44 HE1 TYR 44 1.510 -8.545 0.949 308 HE2 TYR 44 HE2 TYR 44 0.067 -7.476 4.818 309 HH TYR 44 HH TYR 44 -0.708 -9.131 2.032 310 H ASP 45 H ASP 45 2.992 -1.743 4.561 311 HA ASP 45 HA ASP 45 4.575 0.205 3.344 312 1HB ASP 45 1HB ASP 45 4.544 -0.372 6.308 313 2HB ASP 45 2HB ASP 45 4.827 1.175 5.514 314 H VAL 46 H VAL 46 6.746 0.845 4.675 315 HA VAL 46 HA VAL 46 8.736 -0.867 3.703 316 HB VAL 46 HB VAL 46 9.238 1.454 4.086 317 1HG1 VAL 46 1HG1 VAL 46 9.027 0.980 7.050 318 2HG1 VAL 46 2HG1 VAL 46 9.234 2.514 6.202 319 3HG1 VAL 46 3HG1 VAL 46 7.706 1.640 6.086 320 1HG2 VAL 46 1HG2 VAL 46 11.101 -0.121 4.238 321 2HG2 VAL 46 2HG2 VAL 46 11.350 1.264 5.302 322 3HG2 VAL 46 3HG2 VAL 46 10.830 -0.281 5.974 323 H GLU 47 H GLU 47 7.492 -0.433 7.002 324 HA GLU 47 HA GLU 47 9.210 -2.424 8.124 325 1HB GLU 47 1HB GLU 47 6.732 -1.066 9.191 326 2HB GLU 47 2HB GLU 47 7.709 -2.191 10.124 327 1HG GLU 47 1HG GLU 47 9.302 -0.674 10.528 328 2HG GLU 47 2HG GLU 47 9.222 -0.006 8.899 329 H SER 48 H SER 48 5.715 -2.321 7.437 330 HA SER 48 HA SER 48 5.079 -4.909 8.201 331 1HB SER 48 1HB SER 48 3.717 -2.797 7.045 332 2HB SER 48 2HB SER 48 3.635 -4.050 5.807 333 HG SER 48 HG SER 48 2.754 -4.186 8.495 334 H GLY 49 H GLY 49 5.993 -3.743 4.959 335 1HA GLY 49 1HA GLY 49 5.911 -6.243 3.680 336 2HA GLY 49 2HA GLY 49 6.834 -4.851 3.134 337 H LEU 50 H LEU 50 8.601 -4.555 5.263 338 HA LEU 50 HA LEU 50 10.667 -6.263 4.577 339 1HB LEU 50 1HB LEU 50 11.430 -4.409 5.658 340 2HB LEU 50 2HB LEU 50 10.125 -4.429 6.842 341 HG LEU 50 HG LEU 50 11.240 -6.209 8.070 342 1HD1 LEU 50 1HD1 LEU 50 12.551 -6.686 5.661 343 2HD1 LEU 50 2HD1 LEU 50 12.829 -7.494 7.204 344 3HD1 LEU 50 3HD1 LEU 50 13.803 -6.094 6.753 345 1HD2 LEU 50 1HD2 LEU 50 12.406 -3.581 7.586 346 2HD2 LEU 50 2HD2 LEU 50 13.562 -4.751 8.223 347 3HD2 LEU 50 3HD2 LEU 50 12.072 -4.412 9.105 348 H GLN 51 H GLN 51 8.608 -6.424 7.483 349 HA GLN 51 HA GLN 51 9.698 -8.810 8.490 350 1HB GLN 51 1HB GLN 51 6.896 -7.745 8.881 351 2HB GLN 51 2HB GLN 51 7.712 -8.922 9.901 352 1HG GLN 51 1HG GLN 51 9.173 -6.412 9.564 353 2HG GLN 51 2HG GLN 51 7.610 -6.245 10.362 354 1HE2 GLN 51 2HE2 GLN 51 10.641 -8.046 10.451 355 2HE2 GLN 51 1HE2 GLN 51 10.639 -8.318 12.157 356 H GLN 52 H GLN 52 7.408 -8.202 5.972 357 HA GLN 52 HA GLN 52 6.219 -10.797 5.944 358 1HB GLN 52 1HB GLN 52 6.063 -8.343 4.354 359 2HB GLN 52 2HB GLN 52 5.894 -9.808 3.396 360 1HG GLN 52 1HG GLN 52 4.215 -8.966 5.744 361 2HG GLN 52 2HG GLN 52 3.724 -9.064 4.053 362 1HE2 GLN 52 2HE2 GLN 52 3.899 -11.252 3.064 363 2HE2 GLN 52 1HE2 GLN 52 3.458 -12.606 4.040 364 H LEU 53 H LEU 53 9.087 -9.392 4.583 365 HA LEU 53 HA LEU 53 9.531 -11.428 2.621 366 1HB LEU 53 1HB LEU 53 11.000 -9.090 3.673 367 2HB LEU 53 2HB LEU 53 11.977 -10.378 2.972 368 HG LEU 53 HG LEU 53 11.690 -9.047 1.141 369 1HD1 LEU 53 1HD1 LEU 53 10.630 -11.342 0.824 370 2HD1 LEU 53 2HD1 LEU 53 10.221 -10.095 -0.353 371 3HD1 LEU 53 3HD1 LEU 53 9.078 -10.510 0.924 372 1HD2 LEU 53 1HD2 LEU 53 10.375 -7.327 2.184 373 2HD2 LEU 53 2HD2 LEU 53 8.947 -8.362 2.188 374 3HD2 LEU 53 3HD2 LEU 53 9.612 -7.781 0.661 375 H LEU 54 H LEU 54 11.076 -10.673 5.745 376 HA LEU 54 HA LEU 54 12.511 -13.168 5.763 377 1HB LEU 54 1HB LEU 54 13.727 -12.256 7.403 378 2HB LEU 54 2HB LEU 54 12.933 -10.757 6.923 379 HG LEU 54 HG LEU 54 12.231 -12.539 9.250 380 1HD1 LEU 54 1HD1 LEU 54 13.104 -9.657 9.132 381 2HD1 LEU 54 2HD1 LEU 54 14.146 -11.017 9.546 382 3HD1 LEU 54 3HD1 LEU 54 12.782 -10.604 10.584 383 1HD2 LEU 54 1HD2 LEU 54 10.129 -11.849 8.981 384 2HD2 LEU 54 2HD2 LEU 54 10.583 -10.686 7.736 385 3HD2 LEU 54 3HD2 LEU 54 10.707 -10.247 9.440 386 H ASP 55 H ASP 55 9.361 -12.400 6.342 387 HA ASP 55 HA ASP 55 8.571 -13.576 8.679 388 1HB ASP 55 1HB ASP 55 6.451 -13.603 7.811 389 2HB ASP 55 2HB ASP 55 7.222 -12.553 6.625 390 H GLY 56 H GLY 56 8.420 -15.587 9.505 391 1HA GLY 56 1HA GLY 56 8.020 -17.981 9.065 392 2HA GLY 56 2HA GLY 56 9.142 -17.831 7.721 393 H SER 57 H SER 57 10.627 -15.958 9.787 394 HA SER 57 HA SER 57 12.106 -18.180 11.034 395 1HB SER 57 1HB SER 57 13.955 -16.322 11.143 396 2HB SER 57 2HB SER 57 13.659 -17.174 9.627 397 HG SER 57 HG SER 57 12.718 -14.606 10.378 398 H GLY 58 H GLY 58 11.056 -14.821 11.538 399 1HA GLY 58 1HA GLY 58 10.165 -13.920 13.499 400 2HA GLY 58 2HA GLY 58 10.595 -15.398 14.346 401 H LEU 59 H LEU 59 11.603 -12.219 13.437 402 HA LEU 59 HA LEU 59 13.788 -12.390 15.364 403 1HB LEU 59 1HB LEU 59 14.084 -11.545 12.494 404 2HB LEU 59 2HB LEU 59 15.236 -11.083 13.745 405 HG LEU 59 HG LEU 59 15.036 -13.848 13.974 406 1HD1 LEU 59 1HD1 LEU 59 13.886 -13.554 11.652 407 2HD1 LEU 59 2HD1 LEU 59 15.097 -14.813 11.888 408 3HD1 LEU 59 3HD1 LEU 59 15.537 -13.308 11.083 409 1HD2 LEU 59 1HD2 LEU 59 17.097 -12.817 14.316 410 2HD2 LEU 59 2HD2 LEU 59 17.038 -11.968 12.771 411 3HD2 LEU 59 3HD2 LEU 59 17.324 -13.709 12.811 412 H GLN 60 H GLN 60 14.795 -10.090 15.602 413 HA GLN 60 HA GLN 60 12.551 -8.194 15.757 414 1HB GLN 60 1HB GLN 60 13.523 -7.255 17.680 415 2HB GLN 60 2HB GLN 60 13.730 -8.989 17.883 416 1HG GLN 60 1HG GLN 60 16.034 -8.286 16.601 417 2HG GLN 60 2HG GLN 60 15.722 -6.876 17.612 418 1HE2 GLN 60 2HE2 GLN 60 16.108 -10.372 17.653 419 2HE2 GLN 60 1HE2 GLN 60 16.653 -10.478 19.289 420 H VAL 61 H VAL 61 12.795 -6.083 15.068 421 HA VAL 61 HA VAL 61 15.281 -5.471 13.608 422 HB VAL 61 HB VAL 61 12.574 -4.520 12.697 423 1HG1 VAL 61 1HG1 VAL 61 14.726 -4.935 10.763 424 2HG1 VAL 61 2HG1 VAL 61 13.664 -3.546 10.999 425 3HG1 VAL 61 3HG1 VAL 61 15.102 -3.739 12.003 426 1HG2 VAL 61 1HG2 VAL 61 13.733 -7.180 12.455 427 2HG2 VAL 61 2HG2 VAL 61 12.090 -6.627 12.130 428 3HG2 VAL 61 3HG2 VAL 61 13.338 -6.456 10.896 429 H LYS 62 H LYS 62 16.264 -3.758 14.431 430 HA LYS 62 HA LYS 62 14.626 -1.555 15.490 431 1HB LYS 62 1HB LYS 62 16.540 -1.227 17.167 432 2HB LYS 62 2HB LYS 62 15.419 -2.550 17.461 433 1HG LYS 62 1HG LYS 62 17.782 -3.246 15.860 434 2HG LYS 62 2HG LYS 62 18.106 -2.781 17.532 435 1HD LYS 62 1HD LYS 62 15.884 -4.688 17.031 436 2HD LYS 62 2HD LYS 62 17.535 -5.284 16.845 437 1HE LYS 62 1HE LYS 62 16.425 -3.915 19.294 438 2HE LYS 62 2HE LYS 62 16.667 -5.651 19.113 439 1HZ LYS 62 1HZ LYS 62 19.095 -4.809 18.534 440 2HZ LYS 62 2HZ LYS 62 18.606 -5.129 20.122 441 3HZ LYS 62 3HZ LYS 62 18.627 -3.538 19.548 442 HA PRO 63 HA PRO 63 17.027 0.960 12.784 443 1HB PRO 63 1HB PRO 63 16.569 3.369 13.948 444 2HB PRO 63 2HB PRO 63 15.350 2.516 12.993 445 1HG PRO 63 1HG PRO 63 15.672 2.655 15.966 446 2HG PRO 63 2HG PRO 63 14.193 2.771 14.995 447 1HD PRO 63 1HD PRO 63 14.923 0.497 16.271 448 2HD PRO 63 2HD PRO 63 14.036 0.486 14.733 449 H LEU 64 H LEU 64 18.888 2.365 12.755 450 HA LEU 64 HA LEU 64 20.489 2.251 15.227 451 1HB LEU 64 1HB LEU 64 21.796 2.228 12.551 452 2HB LEU 64 2HB LEU 64 22.377 1.596 14.090 453 HG LEU 64 HG LEU 64 20.195 0.324 12.441 454 1HD1 LEU 64 1HD1 LEU 64 22.309 0.258 11.241 455 2HD1 LEU 64 2HD1 LEU 64 21.878 -1.344 11.838 456 3HD1 LEU 64 3HD1 LEU 64 23.114 -0.398 12.667 457 1HD2 LEU 64 1HD2 LEU 64 19.795 -0.751 14.354 458 2HD2 LEU 64 2HD2 LEU 64 21.256 -0.118 15.111 459 3HD2 LEU 64 3HD2 LEU 64 21.341 -1.559 14.097 460 H GLY 65 H GLY 65 20.629 3.810 12.013 461 1HA GLY 65 1HA GLY 65 20.890 6.401 13.391 462 2HA GLY 65 2HA GLY 65 22.040 5.949 12.142 463 H ASN 66 H ASN 66 21.617 6.621 10.148 464 HA ASN 66 HA ASN 66 19.300 8.128 9.552 465 1HB ASN 66 1HB ASN 66 21.813 7.678 8.365 466 2HB ASN 66 2HB ASN 66 20.620 7.187 7.166 467 1HD2 ASN 66 2HD2 ASN 66 18.583 8.908 7.582 468 2HD2 ASN 66 1HD2 ASN 66 19.091 10.529 7.266 469 H ASN 67 H ASN 67 17.488 6.837 9.918 470 HA ASN 67 HA ASN 67 15.967 5.145 9.569 471 1HB ASN 67 1HB ASN 67 15.270 5.038 7.154 472 2HB ASN 67 2HB ASN 67 15.347 6.666 7.822 473 1HD2 ASN 67 2HD2 ASN 67 17.126 4.312 5.899 474 2HD2 ASN 67 1HD2 ASN 67 18.000 5.469 4.960 475 H SER 68 H SER 68 18.545 4.082 9.984 476 HA SER 68 HA SER 68 18.697 1.874 8.051 477 1HB SER 68 1HB SER 68 20.787 2.161 10.137 478 2HB SER 68 2HB SER 68 20.946 1.757 8.428 479 HG SER 68 HG SER 68 21.355 3.774 8.052 480 H TRP 69 H TRP 69 17.767 0.031 8.607 481 HA TRP 69 HA TRP 69 17.387 -0.563 11.461 482 1HB TRP 69 1HB TRP 69 15.955 -1.727 9.063 483 2HB TRP 69 2HB TRP 69 15.592 -2.070 10.752 484 HD1 TRP 69 HD1 TRP 69 15.894 1.214 8.678 485 HE1 TRP 69 HE1 TRP 69 13.884 2.705 9.280 486 HE3 TRP 69 HE3 TRP 69 13.592 -1.853 12.059 487 HZ2 TRP 69 HZ2 TRP 69 11.622 2.596 10.965 488 HZ3 TRP 69 HZ3 TRP 69 11.509 -1.085 13.121 489 HH2 TRP 69 HH2 TRP 69 10.547 1.094 12.584 490 H THR 70 H THR 70 17.724 -2.724 12.215 491 HA THR 70 HA THR 70 19.416 -4.405 10.503 492 HB THR 70 HB THR 70 20.880 -3.058 12.000 493 HG1 THR 70 HG1 THR 70 21.855 -5.077 12.987 494 1HG2 THR 70 1HG2 THR 70 19.419 -2.822 13.919 495 2HG2 THR 70 2HG2 THR 70 20.907 -3.632 14.410 496 3HG2 THR 70 3HG2 THR 70 19.429 -4.566 14.178 497 H LEU 71 H LEU 71 19.381 -6.624 10.984 498 HA LEU 71 HA LEU 71 17.075 -7.442 12.609 499 1HB LEU 71 1HB LEU 71 18.275 -8.385 10.107 500 2HB LEU 71 2HB LEU 71 17.824 -9.670 11.226 501 HG LEU 71 HG LEU 71 16.074 -9.203 9.566 502 1HD1 LEU 71 1HD1 LEU 71 15.234 -10.153 11.516 503 2HD1 LEU 71 2HD1 LEU 71 14.229 -8.723 11.288 504 3HD1 LEU 71 3HD1 LEU 71 15.537 -8.701 12.470 505 1HD2 LEU 71 1HD2 LEU 71 15.973 -6.489 10.878 506 2HD2 LEU 71 2HD2 LEU 71 14.805 -7.106 9.710 507 3HD2 LEU 71 3HD2 LEU 71 16.479 -6.833 9.223 508 H GLU 72 H GLU 72 17.249 -9.011 14.180 509 HA GLU 72 HA GLU 72 19.814 -10.286 14.665 510 1HB GLU 72 1HB GLU 72 18.645 -8.166 16.414 511 2HB GLU 72 2HB GLU 72 19.492 -9.508 17.169 512 1HG GLU 72 1HG GLU 72 20.681 -7.766 15.027 513 2HG GLU 72 2HG GLU 72 20.888 -7.491 16.756 514 HA PRO 73 HA PRO 73 17.344 -13.597 16.142 515 1HB PRO 73 1HB PRO 73 18.937 -14.673 18.060 516 2HB PRO 73 2HB PRO 73 19.282 -14.817 16.332 517 1HG PRO 73 1HG PRO 73 20.434 -12.921 18.341 518 2HG PRO 73 2HG PRO 73 21.256 -13.827 17.058 519 1HD PRO 73 1HD PRO 73 20.609 -11.210 16.807 520 2HD PRO 73 2HD PRO 73 20.636 -12.324 15.425 521 H ALA 74 H ALA 74 15.615 -13.652 17.427 522 HA ALA 74 HA ALA 74 15.576 -12.005 19.836 523 1HB ALA 74 1HB ALA 74 13.576 -11.520 18.973 524 2HB ALA 74 2HB ALA 74 13.596 -12.929 17.912 525 3HB ALA 74 3HB ALA 74 13.063 -13.092 19.585 526 HA PRO 75 HA PRO 75 15.769 -15.291 22.738 527 1HB PRO 75 1HB PRO 75 13.975 -14.508 24.618 528 2HB PRO 75 2HB PRO 75 15.538 -13.713 24.392 529 1HG PRO 75 1HG PRO 75 12.833 -12.889 23.408 530 2HG PRO 75 2HG PRO 75 14.115 -11.894 24.123 531 1HD PRO 75 1HD PRO 75 13.678 -12.009 21.453 532 2HD PRO 75 2HD PRO 75 15.295 -11.770 22.147 533 H ALA 76 H ALA 76 14.696 -17.136 23.563 534 HA ALA 76 HA ALA 76 13.221 -18.869 23.529 535 1HB ALA 76 1HB ALA 76 10.742 -17.908 22.909 536 2HB ALA 76 2HB ALA 76 11.439 -17.956 24.529 537 3HB ALA 76 3HB ALA 76 11.538 -16.479 23.571 538 HA PRO 77 HA PRO 77 12.789 -20.236 19.382 539 1HB PRO 77 1HB PRO 77 10.724 -21.989 19.559 540 2HB PRO 77 2HB PRO 77 12.328 -22.325 20.220 541 1HG PRO 77 1HG PRO 77 9.865 -21.362 21.623 542 2HG PRO 77 2HG PRO 77 11.037 -22.591 22.135 543 1HD PRO 77 1HD PRO 77 11.066 -20.059 23.096 544 2HD PRO 77 2HD PRO 77 12.545 -21.019 22.889 545 H LYS 78 H LYS 78 11.290 -20.408 17.527 546 HA LYS 78 HA LYS 78 9.310 -18.248 17.626 547 1HB LYS 78 1HB LYS 78 11.058 -18.019 15.937 548 2HB LYS 78 2HB LYS 78 10.645 -19.593 15.270 549 1HG LYS 78 1HG LYS 78 9.765 -17.711 13.946 550 2HG LYS 78 2HG LYS 78 8.500 -18.785 14.549 551 1HD LYS 78 1HD LYS 78 8.111 -17.204 16.417 552 2HD LYS 78 2HD LYS 78 9.300 -16.113 15.702 553 1HE LYS 78 1HE LYS 78 7.763 -16.434 13.569 554 2HE LYS 78 2HE LYS 78 6.551 -16.798 14.797 555 1HZ LYS 78 1HZ LYS 78 8.095 -14.452 15.390 556 2HZ LYS 78 2HZ LYS 78 6.418 -14.668 15.385 557 3HZ LYS 78 3HZ LYS 78 7.230 -14.319 13.942 558 H GLU 79 H GLU 79 9.486 -21.590 17.691 559 HA GLU 79 HA GLU 79 7.923 -23.239 17.570 560 1HB GLU 79 1HB GLU 79 6.581 -21.496 18.833 561 2HB GLU 79 2HB GLU 79 5.858 -21.057 17.291 562 1HG GLU 79 1HG GLU 79 4.796 -23.137 17.072 563 2HG GLU 79 2HG GLU 79 5.781 -23.865 18.339 564 H ASP 80 H ASP 80 9.209 -22.906 15.284 565 HA ASP 80 HA ASP 80 7.292 -23.741 13.323 566 1HB ASP 80 1HB ASP 80 7.599 -21.049 13.391 567 2HB ASP 80 2HB ASP 80 8.887 -21.484 12.271 568 H ALA 81 H ALA 81 8.732 -23.567 11.029 569 HA ALA 81 HA ALA 81 10.523 -25.670 11.187 570 1HB ALA 81 1HB ALA 81 11.383 -24.253 8.980 571 2HB ALA 81 2HB ALA 81 10.101 -25.464 9.008 572 3HB ALA 81 3HB ALA 81 9.701 -23.754 9.166 573 H LEU 82 H LEU 82 11.384 -22.238 10.696 574 HA LEU 82 HA LEU 82 14.127 -22.801 11.468 575 1HB LEU 82 1HB LEU 82 13.299 -21.225 9.581 576 2HB LEU 82 2HB LEU 82 13.042 -20.072 10.889 577 HG LEU 82 HG LEU 82 15.425 -20.178 11.446 578 1HD1 LEU 82 1HD1 LEU 82 16.338 -22.174 10.886 579 2HD1 LEU 82 2HD1 LEU 82 16.781 -21.279 9.433 580 3HD1 LEU 82 3HD1 LEU 82 15.369 -22.335 9.421 581 1HD2 LEU 82 1HD2 LEU 82 15.354 -18.406 10.086 582 2HD2 LEU 82 2HD2 LEU 82 14.343 -19.237 8.903 583 3HD2 LEU 82 3HD2 LEU 82 16.092 -19.467 8.886 584 H THR 83 H THR 83 14.829 -22.643 13.483 585 HA THR 83 HA THR 83 13.572 -20.699 15.290 586 HB THR 83 HB THR 83 12.610 -22.932 15.771 587 HG1 THR 83 HG1 THR 83 13.091 -21.297 17.448 588 1HG2 THR 83 1HG2 THR 83 15.248 -23.805 15.377 589 2HG2 THR 83 2HG2 THR 83 13.858 -24.777 15.862 590 3HG2 THR 83 3HG2 THR 83 14.906 -24.061 17.087 591 H VAL 84 H VAL 84 14.904 -20.280 17.244 592 HA VAL 84 HA VAL 84 17.764 -20.802 16.836 593 HB VAL 84 HB VAL 84 18.247 -18.442 17.533 594 1HG1 VAL 84 1HG1 VAL 84 17.848 -17.486 15.313 595 2HG1 VAL 84 2HG1 VAL 84 18.441 -19.145 15.208 596 3HG1 VAL 84 3HG1 VAL 84 16.730 -18.800 14.951 597 1HG2 VAL 84 1HG2 VAL 84 15.340 -17.984 16.874 598 2HG2 VAL 84 2HG2 VAL 84 16.010 -17.997 18.505 599 3HG2 VAL 84 3HG2 VAL 84 16.524 -16.766 17.351 600 H VAL 85 H VAL 85 19.041 -20.727 18.725 601 HA VAL 85 HA VAL 85 17.480 -20.996 21.206 602 HB VAL 85 HB VAL 85 19.330 -22.329 22.084 603 1HG1 VAL 85 1HG1 VAL 85 19.026 -23.755 19.569 604 2HG1 VAL 85 2HG1 VAL 85 18.461 -24.179 21.187 605 3HG1 VAL 85 3HG1 VAL 85 17.502 -23.103 20.170 606 1HG2 VAL 85 1HG2 VAL 85 20.886 -23.011 19.915 607 2HG2 VAL 85 2HG2 VAL 85 20.688 -21.267 19.738 608 3HG2 VAL 85 3HG2 VAL 85 21.356 -21.932 21.229 609 H GLY 86 H GLY 86 19.250 -20.699 23.152 610 1HA GLY 86 1HA GLY 86 21.075 -19.241 23.869 611 2HA GLY 86 2HA GLY 86 20.503 -18.063 22.697 612 H ASP 87 H ASP 87 20.864 -18.183 25.758 613 HA ASP 87 HA ASP 87 18.267 -16.940 26.360 614 1HB ASP 87 1HB ASP 87 18.628 -19.292 27.359 615 2HB ASP 87 2HB ASP 87 19.791 -18.510 28.426 616 H TRP 88 H TRP 88 18.782 -14.840 26.460 617 HA TRP 88 HA TRP 88 21.245 -14.037 27.829 618 1HB TRP 88 1HB TRP 88 19.411 -12.137 26.401 619 2HB TRP 88 2HB TRP 88 21.148 -12.015 26.663 620 HD1 TRP 88 HD1 TRP 88 18.743 -12.803 24.028 621 HE1 TRP 88 HE1 TRP 88 19.886 -13.992 22.051 622 HE3 TRP 88 HE3 TRP 88 23.175 -14.021 26.266 623 HZ2 TRP 88 HZ2 TRP 88 22.341 -15.276 21.513 624 HZ3 TRP 88 HZ3 TRP 88 24.867 -15.230 24.951 625 HH2 TRP 88 HH2 TRP 88 24.457 -15.844 22.624 626 H LEU 89 H LEU 89 20.631 -11.522 28.676 627 HA LEU 89 HA LEU 89 19.135 -12.074 31.068 628 1HB LEU 89 1HB LEU 89 20.713 -9.769 30.022 629 2HB LEU 89 2HB LEU 89 19.612 -9.516 31.374 630 HG LEU 89 HG LEU 89 21.875 -9.864 32.169 631 1HD1 LEU 89 1HD1 LEU 89 19.926 -10.729 33.461 632 2HD1 LEU 89 2HD1 LEU 89 21.443 -11.568 33.786 633 3HD1 LEU 89 3HD1 LEU 89 20.226 -12.316 32.752 634 1HD2 LEU 89 1HD2 LEU 89 22.413 -11.353 30.111 635 2HD2 LEU 89 2HD2 LEU 89 21.845 -12.670 31.138 636 3HD2 LEU 89 3HD2 LEU 89 23.210 -11.677 31.650 637 H GLY 90 H GLY 90 18.709 -10.028 28.206 638 1HA GLY 90 1HA GLY 90 16.879 -8.887 27.412 639 2HA GLY 90 2HA GLY 90 15.961 -10.238 28.059 640 H ASP 91 H ASP 91 14.672 -9.920 29.784 641 HA ASP 91 HA ASP 91 15.070 -7.681 31.565 642 1HB ASP 91 1HB ASP 91 13.706 -6.983 29.400 643 2HB ASP 91 2HB ASP 91 12.377 -7.737 30.278 644 H ALA 92 H ALA 92 14.299 -8.112 33.552 645 HA ALA 92 HA ALA 92 12.224 -10.145 33.884 646 1HB ALA 92 1HB ALA 92 13.796 -11.678 34.343 647 2HB ALA 92 2HB ALA 92 15.045 -10.462 34.619 648 3HB ALA 92 3HB ALA 92 13.899 -10.857 35.900 649 H ARG 93 H ARG 93 11.609 -10.309 36.281 650 HA ARG 93 HA ARG 93 10.619 -9.266 38.047 651 1HB ARG 93 1HB ARG 93 13.299 -7.904 37.922 652 2HB ARG 93 2HB ARG 93 12.125 -7.504 39.168 653 1HG ARG 93 1HG ARG 93 12.197 -9.689 40.070 654 2HG ARG 93 2HG ARG 93 13.091 -10.305 38.678 655 1HD ARG 93 1HD ARG 93 14.124 -8.246 40.624 656 2HD ARG 93 2HD ARG 93 14.508 -9.966 40.679 657 HE ARG 93 HE ARG 93 15.690 -8.013 38.988 658 1HH1 ARG 93 2HH1 ARG 93 14.704 -11.350 39.106 659 2HH1 ARG 93 1HH1 ARG 93 15.864 -11.870 37.929 660 1HH2 ARG 93 2HH2 ARG 93 17.221 -8.686 37.436 661 2HH2 ARG 93 1HH2 ARG 93 17.296 -10.355 36.980 662 H GLU 94 H GLU 94 9.549 -8.388 35.744 663 HA GLU 94 HA GLU 94 8.758 -5.693 36.433 664 1HB GLU 94 1HB GLU 94 10.659 -5.207 35.021 665 2HB GLU 94 2HB GLU 94 10.076 -6.315 33.787 666 1HG GLU 94 1HG GLU 94 9.619 -4.087 33.078 667 2HG GLU 94 2HG GLU 94 8.091 -4.862 33.491 668 H ASN 95 H ASN 95 6.636 -5.507 36.156 669 HA ASN 95 HA ASN 95 5.308 -7.368 34.297 670 1HB ASN 95 1HB ASN 95 3.297 -7.080 35.790 671 2HB ASN 95 2HB ASN 95 4.658 -7.914 36.535 672 1HD2 ASN 95 2HD2 ASN 95 3.767 -7.367 38.572 673 2HD2 ASN 95 1HD2 ASN 95 3.976 -5.783 39.230 674 H ASP 96 H ASP 96 3.389 -6.597 33.224 675 HA ASP 96 HA ASP 96 3.377 -3.670 32.876 676 1HB ASP 96 1HB ASP 96 4.212 -5.099 30.926 677 2HB ASP 96 2HB ASP 96 2.548 -5.653 30.762 678 H LEU 97 H LEU 97 1.285 -2.779 32.121 679 HA LEU 97 HA LEU 97 -0.830 -3.692 33.806 680 1HB LEU 97 1HB LEU 97 -0.526 -1.499 31.795 681 2HB LEU 97 2HB LEU 97 -2.116 -1.891 32.445 682 HG LEU 97 HG LEU 97 -1.091 -1.514 34.747 683 1HD1 LEU 97 1HD1 LEU 97 1.104 -1.197 34.831 684 2HD1 LEU 97 2HD1 LEU 97 0.845 0.365 34.057 685 3HD1 LEU 97 3HD1 LEU 97 1.212 -1.054 33.077 686 1HD2 LEU 97 1HD2 LEU 97 -1.928 0.580 34.715 687 2HD2 LEU 97 2HD2 LEU 97 -2.438 0.123 33.089 688 3HD2 LEU 97 3HD2 LEU 97 -0.962 1.062 33.319 689 H GLU 98 H GLU 98 -3.127 -3.809 32.805 690 HA GLU 98 HA GLU 98 -3.076 -5.366 30.314 691 1HB GLU 98 1HB GLU 98 -4.749 -6.924 31.326 692 2HB GLU 98 2HB GLU 98 -3.148 -7.021 32.047 693 1HG GLU 98 1HG GLU 98 -5.262 -5.293 33.262 694 2HG GLU 98 2HG GLU 98 -5.221 -7.027 33.575 695 H HIS 99 H HIS 99 -5.201 -5.555 29.282 696 HA HIS 99 HA HIS 99 -7.280 -3.737 30.140 697 1HB HIS 99 1HB HIS 99 -7.271 -2.545 27.907 698 2HB HIS 99 2HB HIS 99 -5.947 -2.131 28.992 699 HD1 HIS 99 HD1 HIS 99 -6.483 -4.676 26.202 700 HD2 HIS 99 HD2 HIS 99 -3.602 -2.068 27.671 701 HE1 HIS 99 HE1 HIS 99 -4.519 -4.898 24.647 702 H HIS 100 H HIS 100 -8.956 -3.625 28.149 703 HA HIS 100 HA HIS 100 -9.122 -5.995 26.562 704 1HB HIS 100 1HB HIS 100 -11.233 -6.833 27.654 705 2HB HIS 100 2HB HIS 100 -9.766 -7.073 28.597 706 HD1 HIS 100 HD1 HIS 100 -12.864 -4.932 28.485 707 HD2 HIS 100 HD2 HIS 100 -9.731 -5.836 31.060 708 HE1 HIS 100 HE1 HIS 100 -13.490 -3.903 30.693 709 H HIS 101 H HIS 101 -10.646 -5.823 24.953 710 HA HIS 101 HA HIS 101 -12.742 -3.855 25.065 711 1HB HIS 101 1HB HIS 101 -10.219 -3.352 23.563 712 2HB HIS 101 2HB HIS 101 -11.734 -2.877 22.801 713 HD1 HIS 101 HD1 HIS 101 -9.262 -1.768 25.232 714 HD2 HIS 101 HD2 HIS 101 -13.260 -0.979 24.422 715 HE1 HIS 101 HE1 HIS 101 -9.779 0.381 26.431 716 H HIS 102 H HIS 102 -13.868 -3.730 22.849 717 HA HIS 102 HA HIS 102 -13.542 -6.089 21.197 718 1HB HIS 102 1HB HIS 102 -15.019 -6.737 23.164 719 2HB HIS 102 2HB HIS 102 -16.212 -5.612 22.520 720 HD1 HIS 102 HD1 HIS 102 -17.939 -6.795 21.228 721 HD2 HIS 102 HD2 HIS 102 -14.227 -8.624 20.854 722 HE1 HIS 102 HE1 HIS 102 -18.310 -8.765 19.709 723 H HIS 103 H HIS 103 -14.005 -5.636 19.136 724 HA HIS 103 HA HIS 103 -15.913 -3.514 18.508 725 1HB HIS 103 1HB HIS 103 -13.651 -2.471 18.609 726 2HB HIS 103 2HB HIS 103 -13.122 -3.575 17.343 727 HD1 HIS 103 HD1 HIS 103 -16.234 -1.391 17.592 728 HD2 HIS 103 HD2 HIS 103 -12.989 -2.090 15.093 729 HE1 HIS 103 HE1 HIS 103 -16.598 0.085 15.589 730 H HIS 104 H HIS 104 -16.681 -3.566 16.322 731 HA HIS 104 HA HIS 104 -16.166 -6.120 14.946 732 1HB HIS 104 1HB HIS 104 -18.452 -5.757 16.188 733 2HB HIS 104 2HB HIS 104 -18.841 -4.782 14.774 734 HD1 HIS 104 HD1 HIS 104 -20.675 -6.927 14.794 735 HD2 HIS 104 HD2 HIS 104 -16.798 -7.605 13.465 736 HE1 HIS 104 HE1 HIS 104 -20.796 -9.022 13.409 Start of MODEL 11 1 1H ALA 1 H ALA 1 1.537 0.677 0.336 2 HA ALA 1 HA ALA 1 1.612 0.544 -2.322 3 1HB ALA 1 1HB ALA 1 4.089 0.492 -2.222 4 2HB ALA 1 2HB ALA 1 3.366 1.638 -1.093 5 3HB ALA 1 3HB ALA 1 3.977 0.090 -0.509 6 H GLN 2 H GLN 2 0.865 -1.171 -3.452 7 HA GLN 2 HA GLN 2 1.255 -3.865 -2.880 8 1HB GLN 2 1HB GLN 2 -0.442 -3.161 -4.444 9 2HB GLN 2 2HB GLN 2 0.772 -2.498 -5.530 10 1HG GLN 2 1HG GLN 2 0.012 -4.570 -6.424 11 2HG GLN 2 2HG GLN 2 1.664 -4.788 -5.848 12 1HE2 GLN 2 2HE2 GLN 2 1.748 -6.858 -5.277 13 2HE2 GLN 2 1HE2 GLN 2 0.677 -7.633 -4.165 14 H VAL 3 H VAL 3 3.014 -5.084 -2.892 15 HA VAL 3 HA VAL 3 5.122 -4.537 -4.860 16 HB VAL 3 HB VAL 3 5.622 -5.031 -1.921 17 1HG1 VAL 3 1HG1 VAL 3 7.516 -4.733 -4.246 18 2HG1 VAL 3 2HG1 VAL 3 8.008 -4.654 -2.553 19 3HG1 VAL 3 3HG1 VAL 3 7.312 -6.139 -3.202 20 1HG2 VAL 3 1HG2 VAL 3 5.189 -2.628 -3.396 21 2HG2 VAL 3 2HG2 VAL 3 5.555 -2.824 -1.682 22 3HG2 VAL 3 3HG2 VAL 3 6.866 -2.671 -2.851 23 H ASN 4 H ASN 4 5.572 -6.312 -5.973 24 HA ASN 4 HA ASN 4 5.126 -8.927 -4.690 25 1HB ASN 4 1HB ASN 4 4.899 -9.654 -7.209 26 2HB ASN 4 2HB ASN 4 3.529 -8.942 -6.361 27 1HD2 ASN 4 2HD2 ASN 4 5.605 -8.719 -9.008 28 2HD2 ASN 4 1HD2 ASN 4 5.078 -7.186 -9.607 29 H ILE 5 H ILE 5 7.049 -9.735 -4.154 30 HA ILE 5 HA ILE 5 9.233 -9.546 -6.126 31 HB ILE 5 HB ILE 5 9.462 -9.702 -3.118 32 1HG1 ILE 5 1HG1 ILE 5 10.493 -7.471 -4.838 33 2HG1 ILE 5 2HG1 ILE 5 8.801 -7.494 -4.353 34 1HG2 ILE 5 1HG2 ILE 5 11.256 -10.941 -4.121 35 2HG2 ILE 5 2HG2 ILE 5 11.579 -9.636 -5.261 36 3HG2 ILE 5 3HG2 ILE 5 11.892 -9.402 -3.541 37 1HD1 ILE 5 1HD1 ILE 5 11.041 -7.692 -2.371 38 2HD1 ILE 5 2HD1 ILE 5 10.380 -6.150 -2.915 39 3HD1 ILE 5 3HD1 ILE 5 9.346 -7.307 -2.078 40 H ALA 6 H ALA 6 10.244 -11.385 -6.736 41 HA ALA 6 HA ALA 6 9.060 -13.897 -5.884 42 1HB ALA 6 1HB ALA 6 9.434 -13.394 -8.284 43 2HB ALA 6 2HB ALA 6 11.172 -13.429 -7.983 44 3HB ALA 6 3HB ALA 6 10.207 -14.887 -7.749 45 HA PRO 7 HA PRO 7 12.294 -14.803 -3.007 46 1HB PRO 7 1HB PRO 7 11.751 -17.444 -2.687 47 2HB PRO 7 2HB PRO 7 10.765 -16.166 -1.966 48 1HG PRO 7 1HG PRO 7 10.285 -17.751 -4.460 49 2HG PRO 7 2HG PRO 7 9.138 -17.294 -3.187 50 1HD PRO 7 1HD PRO 7 9.297 -15.974 -5.546 51 2HD PRO 7 2HD PRO 7 8.859 -15.166 -4.027 52 H GLY 8 H GLY 8 13.636 -17.165 -2.794 53 1HA GLY 8 1HA GLY 8 14.961 -18.723 -4.044 54 2HA GLY 8 2HA GLY 8 14.812 -17.670 -5.444 55 H SER 9 H SER 9 15.414 -15.946 -2.603 56 HA SER 9 HA SER 9 18.176 -16.198 -2.285 57 1HB SER 9 1HB SER 9 17.321 -14.483 -4.540 58 2HB SER 9 2HB SER 9 18.533 -13.786 -3.466 59 HG SER 9 HG SER 9 19.905 -15.437 -3.934 60 H LEU 10 H LEU 10 18.099 -15.683 -0.192 61 HA LEU 10 HA LEU 10 16.337 -13.863 0.997 62 1HB LEU 10 1HB LEU 10 17.580 -15.675 2.162 63 2HB LEU 10 2HB LEU 10 19.044 -14.704 2.022 64 HG LEU 10 HG LEU 10 16.676 -13.520 3.388 65 1HD1 LEU 10 1HD1 LEU 10 16.647 -15.555 4.526 66 2HD1 LEU 10 2HD1 LEU 10 17.663 -14.521 5.530 67 3HD1 LEU 10 3HD1 LEU 10 18.403 -15.720 4.469 68 1HD2 LEU 10 1HD2 LEU 10 19.216 -12.663 2.875 69 2HD2 LEU 10 2HD2 LEU 10 19.365 -13.289 4.518 70 3HD2 LEU 10 3HD2 LEU 10 18.173 -12.041 4.154 71 H ASP 11 H ASP 11 19.599 -13.452 -0.261 72 HA ASP 11 HA ASP 11 20.006 -10.831 0.741 73 1HB ASP 11 1HB ASP 11 21.971 -11.935 0.114 74 2HB ASP 11 2HB ASP 11 21.292 -12.472 -1.420 75 H LYS 12 H LYS 12 19.049 -12.017 -2.478 76 HA LYS 12 HA LYS 12 18.678 -9.485 -3.641 77 1HB LYS 12 1HB LYS 12 17.334 -12.103 -4.336 78 2HB LYS 12 2HB LYS 12 17.385 -10.677 -5.363 79 1HG LYS 12 1HG LYS 12 20.038 -11.126 -4.799 80 2HG LYS 12 2HG LYS 12 19.374 -12.754 -4.952 81 1HD LYS 12 1HD LYS 12 20.042 -12.166 -7.126 82 2HD LYS 12 2HD LYS 12 18.293 -11.929 -7.110 83 1HE LYS 12 1HE LYS 12 18.738 -9.506 -6.595 84 2HE LYS 12 2HE LYS 12 20.443 -9.828 -6.909 85 1HZ LYS 12 1HZ LYS 12 18.207 -10.153 -8.836 86 2HZ LYS 12 2HZ LYS 12 19.816 -10.571 -9.148 87 3HZ LYS 12 3HZ LYS 12 19.400 -8.955 -8.874 88 H ALA 13 H ALA 13 16.339 -11.722 -2.164 89 HA ALA 13 HA ALA 13 14.013 -10.295 -2.557 90 1HB ALA 13 1HB ALA 13 14.915 -12.189 -0.437 91 2HB ALA 13 2HB ALA 13 13.374 -11.350 -0.251 92 3HB ALA 13 3HB ALA 13 13.654 -12.379 -1.656 93 H LEU 14 H LEU 14 16.441 -9.889 -0.017 94 HA LEU 14 HA LEU 14 15.015 -7.947 1.469 95 1HB LEU 14 1HB LEU 14 16.775 -7.995 2.854 96 2HB LEU 14 2HB LEU 14 17.260 -9.388 1.890 97 HG LEU 14 HG LEU 14 18.521 -7.573 0.472 98 1HD1 LEU 14 1HD1 LEU 14 18.094 -5.528 1.331 99 2HD1 LEU 14 2HD1 LEU 14 19.425 -5.957 2.404 100 3HD1 LEU 14 3HD1 LEU 14 17.759 -6.152 2.946 101 1HD2 LEU 14 1HD2 LEU 14 20.063 -7.867 2.882 102 2HD2 LEU 14 2HD2 LEU 14 20.286 -8.630 1.307 103 3HD2 LEU 14 3HD2 LEU 14 19.217 -9.367 2.501 104 H ASN 15 H ASN 15 17.222 -7.761 -1.254 105 HA ASN 15 HA ASN 15 17.504 -4.912 -1.155 106 1HB ASN 15 1HB ASN 15 18.280 -7.060 -3.094 107 2HB ASN 15 2HB ASN 15 18.332 -5.375 -3.604 108 1HD2 ASN 15 2HD2 ASN 15 19.520 -7.646 -1.194 109 2HD2 ASN 15 1HD2 ASN 15 20.985 -6.796 -0.850 110 H GLN 16 H GLN 16 15.384 -7.178 -2.783 111 HA GLN 16 HA GLN 16 14.281 -5.482 -4.709 112 1HB GLN 16 1HB GLN 16 12.842 -7.686 -3.226 113 2HB GLN 16 2HB GLN 16 12.428 -7.035 -4.807 114 1HG GLN 16 1HG GLN 16 15.152 -7.959 -4.769 115 2HG GLN 16 2HG GLN 16 14.048 -9.230 -4.245 116 1HE2 GLN 16 2HE2 GLN 16 15.486 -9.471 -6.564 117 2HE2 GLN 16 1HE2 GLN 16 14.418 -9.388 -7.920 118 H TYR 17 H TYR 17 12.985 -6.291 -1.485 119 HA TYR 17 HA TYR 17 10.925 -4.337 -1.604 120 1HB TYR 17 1HB TYR 17 10.266 -5.134 0.440 121 2HB TYR 17 2HB TYR 17 11.256 -6.493 -0.080 122 HD1 TYR 17 HD1 TYR 17 13.350 -6.992 1.000 123 HD2 TYR 17 HD2 TYR 17 11.086 -3.578 2.151 124 HE1 TYR 17 HE1 TYR 17 14.740 -6.757 3.016 125 HE2 TYR 17 HE2 TYR 17 12.470 -3.334 4.169 126 HH TYR 17 HH TYR 17 15.231 -4.357 4.642 127 H ALA 18 H ALA 18 14.195 -4.372 -0.315 128 HA ALA 18 HA ALA 18 14.115 -2.029 1.204 129 1HB ALA 18 1HB ALA 18 15.975 -3.546 1.365 130 2HB ALA 18 2HB ALA 18 16.410 -3.253 -0.320 131 3HB ALA 18 3HB ALA 18 16.568 -1.961 0.870 132 H ALA 19 H ALA 19 14.581 -2.522 -2.250 133 HA ALA 19 HA ALA 19 15.295 0.182 -2.821 134 1HB ALA 19 1HB ALA 19 14.931 -0.456 -5.174 135 2HB ALA 19 2HB ALA 19 15.967 -1.597 -4.315 136 3HB ALA 19 3HB ALA 19 14.282 -2.005 -4.634 137 H HIS 20 H HIS 20 12.290 -1.595 -2.614 138 HA HIS 20 HA HIS 20 10.702 0.441 -3.869 139 1HB HIS 20 1HB HIS 20 9.130 -1.154 -3.894 140 2HB HIS 20 2HB HIS 20 10.321 -2.234 -3.175 141 HD1 HIS 20 HD1 HIS 20 7.512 0.089 -2.165 142 HD2 HIS 20 HD2 HIS 20 9.744 -3.061 -0.631 143 HE1 HIS 20 HE1 HIS 20 6.406 -0.523 0.009 144 H SER 21 H SER 21 11.807 -0.250 -0.656 145 HA SER 21 HA SER 21 9.881 1.457 0.644 146 1HB SER 21 1HB SER 21 12.339 -0.013 1.588 147 2HB SER 21 2HB SER 21 11.455 1.093 2.640 148 HG SER 21 HG SER 21 9.566 -0.309 1.815 149 H GLY 22 H GLY 22 13.429 1.592 0.249 150 1HA GLY 22 1HA GLY 22 14.496 3.594 -0.581 151 2HA GLY 22 2HA GLY 22 13.197 4.529 0.145 152 H PHE 23 H PHE 23 14.767 1.888 1.811 153 HA PHE 23 HA PHE 23 16.248 3.812 3.465 154 1HB PHE 23 1HB PHE 23 15.458 2.923 5.482 155 2HB PHE 23 2HB PHE 23 14.016 2.991 4.475 156 HD1 PHE 23 HD1 PHE 23 15.840 1.004 6.670 157 HD2 PHE 23 HD2 PHE 23 13.608 0.779 3.053 158 HE1 PHE 23 HE1 PHE 23 15.466 -1.398 7.054 159 HE2 PHE 23 HE2 PHE 23 13.230 -1.623 3.432 160 HZ PHE 23 HZ PHE 23 14.159 -2.714 5.434 161 H THR 24 H THR 24 17.803 2.598 4.970 162 HA THR 24 HA THR 24 19.151 0.535 3.368 163 HB THR 24 HB THR 24 20.344 2.208 5.585 164 HG1 THR 24 HG1 THR 24 21.179 3.491 3.931 165 1HG2 THR 24 1HG2 THR 24 21.739 0.373 5.368 166 2HG2 THR 24 2HG2 THR 24 22.455 1.505 4.221 167 3HG2 THR 24 3HG2 THR 24 21.417 0.202 3.643 168 H LEU 25 H LEU 25 20.005 -1.325 4.365 169 HA LEU 25 HA LEU 25 19.144 -1.867 7.112 170 1HB LEU 25 1HB LEU 25 17.418 -2.769 5.637 171 2HB LEU 25 2HB LEU 25 18.641 -3.685 4.760 172 HG LEU 25 HG LEU 25 18.967 -4.545 7.356 173 1HD1 LEU 25 1HD1 LEU 25 16.681 -3.239 7.617 174 2HD1 LEU 25 2HD1 LEU 25 16.980 -4.769 8.442 175 3HD1 LEU 25 3HD1 LEU 25 16.034 -4.740 6.954 176 1HD2 LEU 25 1HD2 LEU 25 18.975 -5.882 5.282 177 2HD2 LEU 25 2HD2 LEU 25 17.216 -5.773 5.229 178 3HD2 LEU 25 3HD2 LEU 25 18.008 -6.616 6.561 179 H SER 26 H SER 26 20.585 -2.997 8.291 180 HA SER 26 HA SER 26 22.918 -4.105 6.870 181 1HB SER 26 1HB SER 26 22.941 -2.007 8.650 182 2HB SER 26 2HB SER 26 23.344 -3.380 9.681 183 HG SER 26 HG SER 26 25.267 -3.216 8.874 184 H VAL 27 H VAL 27 22.578 -6.247 6.837 185 HA VAL 27 HA VAL 27 22.120 -7.581 9.419 186 HB VAL 27 HB VAL 27 20.021 -7.782 8.337 187 1HG1 VAL 27 1HG1 VAL 27 21.664 -8.219 5.892 188 2HG1 VAL 27 2HG1 VAL 27 20.054 -8.937 5.977 189 3HG1 VAL 27 3HG1 VAL 27 20.251 -7.191 6.134 190 1HG2 VAL 27 1HG2 VAL 27 21.299 -9.909 9.200 191 2HG2 VAL 27 2HG2 VAL 27 19.737 -10.059 8.396 192 3HG2 VAL 27 3HG2 VAL 27 21.223 -10.377 7.501 193 H ASP 28 H ASP 28 23.349 -9.354 9.816 194 HA ASP 28 HA ASP 28 25.759 -9.738 8.520 195 1HB ASP 28 1HB ASP 28 24.851 -10.628 10.819 196 2HB ASP 28 2HB ASP 28 24.433 -12.056 9.875 197 H ALA 29 H ALA 29 25.842 -10.085 6.374 198 HA ALA 29 HA ALA 29 24.009 -11.789 4.990 199 1HB ALA 29 1HB ALA 29 24.791 -10.742 3.193 200 2HB ALA 29 2HB ALA 29 25.827 -9.805 4.270 201 3HB ALA 29 3HB ALA 29 26.439 -11.280 3.522 202 H SER 30 H SER 30 26.615 -12.450 6.948 203 HA SER 30 HA SER 30 28.075 -14.425 5.704 204 1HB SER 30 1HB SER 30 28.427 -13.476 8.030 205 2HB SER 30 2HB SER 30 27.178 -14.590 8.585 206 HG SER 30 HG SER 30 29.766 -15.116 7.674 207 H LEU 31 H LEU 31 25.019 -14.792 7.482 208 HA LEU 31 HA LEU 31 24.832 -17.593 6.808 209 1HB LEU 31 1HB LEU 31 22.523 -16.045 7.871 210 2HB LEU 31 2HB LEU 31 23.033 -17.693 8.231 211 HG LEU 31 HG LEU 31 25.084 -16.279 9.302 212 1HD1 LEU 31 1HD1 LEU 31 23.603 -14.213 8.686 213 2HD1 LEU 31 2HD1 LEU 31 24.447 -14.282 10.233 214 3HD1 LEU 31 3HD1 LEU 31 22.727 -14.664 10.149 215 1HD2 LEU 31 1HD2 LEU 31 23.739 -16.531 11.476 216 2HD2 LEU 31 2HD2 LEU 31 24.100 -17.986 10.547 217 3HD2 LEU 31 3HD2 LEU 31 22.496 -17.257 10.457 218 H THR 32 H THR 32 23.566 -14.561 5.632 219 HA THR 32 HA THR 32 21.398 -15.432 4.128 220 HB THR 32 HB THR 32 23.336 -13.184 3.557 221 HG1 THR 32 HG1 THR 32 21.748 -13.333 5.483 222 1HG2 THR 32 1HG2 THR 32 22.384 -13.319 1.491 223 2HG2 THR 32 2HG2 THR 32 21.112 -12.404 2.301 224 3HG2 THR 32 3HG2 THR 32 20.946 -14.146 2.087 225 H ARG 33 H ARG 33 24.823 -15.663 3.485 226 HA ARG 33 HA ARG 33 24.798 -16.134 0.740 227 1HB ARG 33 1HB ARG 33 26.628 -16.784 2.981 228 2HB ARG 33 2HB ARG 33 26.840 -17.710 1.501 229 1HG ARG 33 1HG ARG 33 26.865 -14.704 1.686 230 2HG ARG 33 2HG ARG 33 28.293 -15.737 1.599 231 1HD ARG 33 1HD ARG 33 26.373 -16.305 -0.508 232 2HD ARG 33 2HD ARG 33 26.932 -14.633 -0.538 233 HE ARG 33 HE ARG 33 29.229 -16.023 -0.293 234 1HH1 ARG 33 2HH1 ARG 33 26.523 -16.286 -2.468 235 2HH1 ARG 33 1HH1 ARG 33 27.472 -16.896 -3.783 236 1HH2 ARG 33 2HH2 ARG 33 30.489 -16.825 -2.017 237 2HH2 ARG 33 1HH2 ARG 33 29.727 -17.203 -3.525 238 H GLY 34 H GLY 34 23.336 -17.495 -0.134 239 1HA GLY 34 1HA GLY 34 22.896 -19.703 -0.895 240 2HA GLY 34 2HA GLY 34 23.560 -20.324 0.609 241 H LYS 35 H LYS 35 21.929 -18.223 2.073 242 HA LYS 35 HA LYS 35 19.639 -19.892 2.516 243 1HB LYS 35 1HB LYS 35 21.006 -17.808 3.910 244 2HB LYS 35 2HB LYS 35 19.309 -17.362 3.778 245 1HG LYS 35 1HG LYS 35 18.600 -19.255 4.954 246 2HG LYS 35 2HG LYS 35 20.150 -20.073 4.743 247 1HD LYS 35 1HD LYS 35 19.893 -19.250 7.028 248 2HD LYS 35 2HD LYS 35 21.220 -18.429 6.204 249 1HE LYS 35 1HE LYS 35 20.199 -16.428 6.293 250 2HE LYS 35 2HE LYS 35 18.614 -17.111 5.932 251 1HZ LYS 35 1HZ LYS 35 19.650 -16.311 8.419 252 2HZ LYS 35 2HZ LYS 35 19.335 -17.972 8.480 253 3HZ LYS 35 3HZ LYS 35 18.102 -16.893 8.059 254 H GLN 36 H GLN 36 17.442 -19.297 2.271 255 HA GLN 36 HA GLN 36 16.988 -17.213 0.237 256 1HB GLN 36 1HB GLN 36 15.277 -18.544 -0.747 257 2HB GLN 36 2HB GLN 36 16.675 -19.590 -0.538 258 1HG GLN 36 1HG GLN 36 15.116 -19.803 1.805 259 2HG GLN 36 2HG GLN 36 14.022 -19.929 0.428 260 1HE2 GLN 36 2HE2 GLN 36 14.304 -21.614 -1.056 261 2HE2 GLN 36 1HE2 GLN 36 15.207 -23.031 -0.657 262 H SER 37 H SER 37 14.459 -16.739 0.199 263 HA SER 37 HA SER 37 13.185 -16.739 2.770 264 1HB SER 37 1HB SER 37 14.550 -14.915 3.341 265 2HB SER 37 2HB SER 37 14.487 -14.239 1.714 266 HG SER 37 HG SER 37 12.369 -13.624 2.079 267 H ASN 38 H ASN 38 11.014 -16.154 2.668 268 HA ASN 38 HA ASN 38 9.789 -16.430 0.118 269 1HB ASN 38 1HB ASN 38 8.704 -15.776 2.857 270 2HB ASN 38 2HB ASN 38 7.670 -15.898 1.436 271 1HD2 ASN 38 2HD2 ASN 38 7.243 -17.522 3.566 272 2HD2 ASN 38 1HD2 ASN 38 7.672 -19.148 3.169 273 H GLY 39 H GLY 39 9.448 -14.913 -1.359 274 1HA GLY 39 1HA GLY 39 10.118 -12.213 -1.023 275 2HA GLY 39 2HA GLY 39 9.161 -12.862 -2.347 276 H LEU 40 H LEU 40 8.187 -10.642 -2.039 277 HA LEU 40 HA LEU 40 6.156 -10.666 0.089 278 1HB LEU 40 1HB LEU 40 7.698 -8.738 0.044 279 2HB LEU 40 2HB LEU 40 7.132 -8.352 -1.580 280 HG LEU 40 HG LEU 40 4.912 -7.864 -0.710 281 1HD1 LEU 40 1HD1 LEU 40 5.924 -9.257 1.604 282 2HD1 LEU 40 2HD1 LEU 40 4.265 -8.843 1.174 283 3HD1 LEU 40 3HD1 LEU 40 5.266 -7.680 2.042 284 1HD2 LEU 40 1HD2 LEU 40 6.985 -6.239 -0.609 285 2HD2 LEU 40 2HD2 LEU 40 6.707 -6.364 1.129 286 3HD2 LEU 40 3HD2 LEU 40 5.424 -5.777 0.069 287 H HIS 41 H HIS 41 4.009 -9.881 -0.453 288 HA HIS 41 HA HIS 41 3.214 -9.706 -3.206 289 1HB HIS 41 1HB HIS 41 3.415 -12.263 -2.314 290 2HB HIS 41 2HB HIS 41 1.751 -11.896 -1.870 291 HD1 HIS 41 HD1 HIS 41 2.353 -13.985 -4.032 292 HD2 HIS 41 HD2 HIS 41 1.610 -9.974 -4.820 293 HE1 HIS 41 HE1 HIS 41 1.557 -13.904 -6.416 294 H GLY 42 H GLY 42 2.113 -7.851 -2.851 295 1HA GLY 42 1HA GLY 42 -0.310 -7.314 -2.386 296 2HA GLY 42 2HA GLY 42 0.025 -7.901 -0.763 297 H ASP 43 H ASP 43 -0.877 -5.662 -0.351 298 HA ASP 43 HA ASP 43 1.065 -3.523 -0.753 299 1HB ASP 43 1HB ASP 43 -1.594 -3.302 0.653 300 2HB ASP 43 2HB ASP 43 -0.644 -2.013 -0.081 301 H TYR 44 H TYR 44 2.619 -3.240 0.691 302 HA TYR 44 HA TYR 44 1.998 -3.272 3.524 303 1HB TYR 44 1HB TYR 44 4.148 -5.073 2.388 304 2HB TYR 44 2HB TYR 44 3.811 -4.821 4.097 305 HD1 TYR 44 HD1 TYR 44 2.951 -6.674 1.139 306 HD2 TYR 44 HD2 TYR 44 1.582 -5.578 5.015 307 HE1 TYR 44 HE1 TYR 44 1.337 -8.529 1.086 308 HE2 TYR 44 HE2 TYR 44 -0.036 -7.430 4.973 309 HH TYR 44 HH TYR 44 -1.112 -8.903 3.543 310 H ASP 45 H ASP 45 3.045 -1.681 4.528 311 HA ASP 45 HA ASP 45 4.669 0.144 3.165 312 1HB ASP 45 1HB ASP 45 4.622 -0.237 6.161 313 2HB ASP 45 2HB ASP 45 4.974 1.242 5.270 314 H VAL 46 H VAL 46 6.857 0.788 4.524 315 HA VAL 46 HA VAL 46 8.796 -1.029 3.630 316 HB VAL 46 HB VAL 46 9.375 1.288 3.902 317 1HG1 VAL 46 1HG1 VAL 46 9.118 0.969 6.884 318 2HG1 VAL 46 2HG1 VAL 46 9.396 2.451 5.967 319 3HG1 VAL 46 3HG1 VAL 46 7.836 1.634 5.872 320 1HG2 VAL 46 1HG2 VAL 46 11.101 -0.534 4.285 321 2HG2 VAL 46 2HG2 VAL 46 11.503 1.071 4.896 322 3HG2 VAL 46 3HG2 VAL 46 10.944 -0.180 6.006 323 H GLU 47 H GLU 47 7.549 -0.397 6.896 324 HA GLU 47 HA GLU 47 9.201 -2.373 8.132 325 1HB GLU 47 1HB GLU 47 6.731 -0.932 9.105 326 2HB GLU 47 2HB GLU 47 7.697 -2.010 10.102 327 1HG GLU 47 1HG GLU 47 9.332 -0.498 10.394 328 2HG GLU 47 2HG GLU 47 9.187 0.135 8.756 329 H SER 48 H SER 48 5.714 -2.230 7.412 330 HA SER 48 HA SER 48 5.039 -4.784 8.274 331 1HB SER 48 1HB SER 48 3.774 -2.675 6.835 332 2HB SER 48 2HB SER 48 3.481 -4.177 5.959 333 HG SER 48 HG SER 48 1.968 -4.406 7.411 334 H GLY 49 H GLY 49 5.931 -3.728 4.987 335 1HA GLY 49 1HA GLY 49 5.803 -6.273 3.796 336 2HA GLY 49 2HA GLY 49 6.722 -4.906 3.183 337 H LEU 50 H LEU 50 8.535 -4.542 5.258 338 HA LEU 50 HA LEU 50 10.587 -6.263 4.595 339 1HB LEU 50 1HB LEU 50 11.344 -4.380 5.638 340 2HB LEU 50 2HB LEU 50 10.068 -4.409 6.853 341 HG LEU 50 HG LEU 50 11.233 -6.162 8.068 342 1HD1 LEU 50 1HD1 LEU 50 12.492 -6.640 5.626 343 2HD1 LEU 50 2HD1 LEU 50 12.795 -7.450 7.162 344 3HD1 LEU 50 3HD1 LEU 50 13.762 -6.051 6.698 345 1HD2 LEU 50 1HD2 LEU 50 12.341 -3.525 7.543 346 2HD2 LEU 50 2HD2 LEU 50 13.550 -4.672 8.119 347 3HD2 LEU 50 3HD2 LEU 50 12.098 -4.368 9.073 348 H GLN 51 H GLN 51 8.575 -6.380 7.537 349 HA GLN 51 HA GLN 51 9.679 -8.763 8.545 350 1HB GLN 51 1HB GLN 51 6.896 -7.678 9.008 351 2HB GLN 51 2HB GLN 51 7.747 -8.835 10.023 352 1HG GLN 51 1HG GLN 51 9.196 -6.333 9.590 353 2HG GLN 51 2HG GLN 51 7.658 -6.147 10.431 354 1HE2 GLN 51 2HE2 GLN 51 10.658 -8.012 10.458 355 2HE2 GLN 51 1HE2 GLN 51 10.719 -8.224 12.172 356 H GLN 52 H GLN 52 7.321 -8.159 6.090 357 HA GLN 52 HA GLN 52 6.143 -10.769 6.127 358 1HB GLN 52 1HB GLN 52 5.661 -8.294 4.813 359 2HB GLN 52 2HB GLN 52 5.845 -9.528 3.573 360 1HG GLN 52 1HG GLN 52 3.906 -9.558 5.873 361 2HG GLN 52 2HG GLN 52 3.529 -9.316 4.168 362 1HE2 GLN 52 2HE2 GLN 52 4.288 -11.141 2.726 363 2HE2 GLN 52 1HE2 GLN 52 4.015 -12.745 3.306 364 H LEU 53 H LEU 53 8.918 -9.317 4.642 365 HA LEU 53 HA LEU 53 9.278 -11.271 2.595 366 1HB LEU 53 1HB LEU 53 10.775 -8.984 3.683 367 2HB LEU 53 2HB LEU 53 11.762 -10.262 2.976 368 HG LEU 53 HG LEU 53 11.478 -8.860 1.180 369 1HD1 LEU 53 1HD1 LEU 53 10.521 -11.215 0.823 370 2HD1 LEU 53 2HD1 LEU 53 10.158 -9.976 -0.378 371 3HD1 LEU 53 3HD1 LEU 53 8.946 -10.421 0.823 372 1HD2 LEU 53 1HD2 LEU 53 10.063 -7.214 2.165 373 2HD2 LEU 53 2HD2 LEU 53 8.697 -8.328 2.209 374 3HD2 LEU 53 3HD2 LEU 53 9.302 -7.736 0.662 375 H LEU 54 H LEU 54 10.990 -10.686 5.669 376 HA LEU 54 HA LEU 54 12.309 -13.247 5.519 377 1HB LEU 54 1HB LEU 54 13.651 -12.499 7.175 378 2HB LEU 54 2HB LEU 54 13.049 -10.940 6.615 379 HG LEU 54 HG LEU 54 12.923 -10.783 8.930 380 1HD1 LEU 54 1HD1 LEU 54 10.187 -11.804 8.784 381 2HD1 LEU 54 2HD1 LEU 54 10.620 -10.710 7.470 382 3HD1 LEU 54 3HD1 LEU 54 10.779 -10.182 9.145 383 1HD2 LEU 54 1HD2 LEU 54 11.394 -13.150 9.608 384 2HD2 LEU 54 2HD2 LEU 54 12.883 -12.524 10.317 385 3HD2 LEU 54 3HD2 LEU 54 12.952 -13.551 8.884 386 H ASP 55 H ASP 55 9.265 -12.303 6.383 387 HA ASP 55 HA ASP 55 8.619 -13.517 8.751 388 1HB ASP 55 1HB ASP 55 7.199 -12.448 6.626 389 2HB ASP 55 2HB ASP 55 6.650 -14.120 6.682 390 H GLY 56 H GLY 56 9.014 -15.487 9.498 391 1HA GLY 56 1HA GLY 56 8.108 -17.867 8.653 392 2HA GLY 56 2HA GLY 56 9.548 -17.673 7.664 393 H SER 57 H SER 57 10.735 -16.115 10.018 394 HA SER 57 HA SER 57 11.464 -18.478 11.624 395 1HB SER 57 1HB SER 57 13.673 -17.172 11.957 396 2HB SER 57 2HB SER 57 13.410 -17.973 10.409 397 HG SER 57 HG SER 57 12.768 -15.254 10.881 398 H GLY 58 H GLY 58 10.993 -14.972 11.632 399 1HA GLY 58 1HA GLY 58 9.941 -13.753 13.339 400 2HA GLY 58 2HA GLY 58 10.131 -15.132 14.412 401 H LEU 59 H LEU 59 11.531 -12.200 13.237 402 HA LEU 59 HA LEU 59 13.586 -12.396 15.325 403 1HB LEU 59 1HB LEU 59 13.964 -11.661 12.442 404 2HB LEU 59 2HB LEU 59 15.068 -11.078 13.686 405 HG LEU 59 HG LEU 59 15.051 -13.761 14.179 406 1HD1 LEU 59 1HD1 LEU 59 13.682 -13.838 11.951 407 2HD1 LEU 59 2HD1 LEU 59 14.950 -15.022 12.266 408 3HD1 LEU 59 3HD1 LEU 59 15.271 -13.647 11.210 409 1HD2 LEU 59 1HD2 LEU 59 17.142 -12.916 14.164 410 2HD2 LEU 59 2HD2 LEU 59 16.819 -11.847 12.799 411 3HD2 LEU 59 3HD2 LEU 59 17.161 -13.555 12.520 412 H GLN 60 H GLN 60 14.661 -10.130 15.584 413 HA GLN 60 HA GLN 60 12.478 -8.160 15.677 414 1HB GLN 60 1HB GLN 60 13.445 -7.237 17.617 415 2HB GLN 60 2HB GLN 60 13.553 -8.979 17.838 416 1HG GLN 60 1HG GLN 60 15.928 -8.363 16.602 417 2HG GLN 60 2HG GLN 60 15.656 -6.983 17.664 418 1HE2 GLN 60 2HE2 GLN 60 16.403 -10.333 17.462 419 2HE2 GLN 60 1HE2 GLN 60 16.697 -10.594 19.144 420 H VAL 61 H VAL 61 12.824 -6.047 15.017 421 HA VAL 61 HA VAL 61 15.370 -5.514 13.635 422 HB VAL 61 HB VAL 61 12.753 -4.476 12.586 423 1HG1 VAL 61 1HG1 VAL 61 15.007 -5.107 10.805 424 2HG1 VAL 61 2HG1 VAL 61 13.953 -3.692 10.849 425 3HG1 VAL 61 3HG1 VAL 61 15.306 -3.821 11.974 426 1HG2 VAL 61 1HG2 VAL 61 13.812 -7.207 12.415 427 2HG2 VAL 61 2HG2 VAL 61 12.174 -6.606 12.155 428 3HG2 VAL 61 3HG2 VAL 61 13.372 -6.488 10.866 429 H LYS 62 H LYS 62 16.324 -3.682 14.231 430 HA LYS 62 HA LYS 62 14.691 -1.484 15.279 431 1HB LYS 62 1HB LYS 62 16.573 -1.149 17.008 432 2HB LYS 62 2HB LYS 62 15.389 -2.414 17.306 433 1HG LYS 62 1HG LYS 62 17.801 -3.230 15.823 434 2HG LYS 62 2HG LYS 62 18.038 -2.772 17.511 435 1HD LYS 62 1HD LYS 62 15.794 -4.610 16.836 436 2HD LYS 62 2HD LYS 62 17.439 -5.251 16.828 437 1HE LYS 62 1HE LYS 62 16.895 -5.630 19.011 438 2HE LYS 62 2HE LYS 62 17.551 -4.000 19.155 439 1HZ LYS 62 1HZ LYS 62 14.746 -4.050 18.538 440 2HZ LYS 62 2HZ LYS 62 15.573 -3.189 19.736 441 3HZ LYS 62 3HZ LYS 62 15.109 -4.792 20.015 442 HA PRO 63 HA PRO 63 17.228 0.930 12.603 443 1HB PRO 63 1HB PRO 63 16.754 3.374 13.686 444 2HB PRO 63 2HB PRO 63 15.563 2.511 12.706 445 1HG PRO 63 1HG PRO 63 15.769 2.723 15.685 446 2HG PRO 63 2HG PRO 63 14.331 2.830 14.652 447 1HD PRO 63 1HD PRO 63 14.982 0.582 16.014 448 2HD PRO 63 2HD PRO 63 14.156 0.542 14.443 449 H LEU 64 H LEU 64 19.110 2.303 12.611 450 HA LEU 64 HA LEU 64 20.598 2.268 15.153 451 1HB LEU 64 1HB LEU 64 22.016 2.064 12.538 452 2HB LEU 64 2HB LEU 64 22.528 1.525 14.136 453 HG LEU 64 HG LEU 64 20.387 0.181 12.489 454 1HD1 LEU 64 1HD1 LEU 64 22.561 0.019 11.389 455 2HD1 LEU 64 2HD1 LEU 64 22.053 -1.539 12.040 456 3HD1 LEU 64 3HD1 LEU 64 23.276 -0.589 12.883 457 1HD2 LEU 64 1HD2 LEU 64 19.897 -0.653 14.517 458 2HD2 LEU 64 2HD2 LEU 64 21.447 -0.169 15.207 459 3HD2 LEU 64 3HD2 LEU 64 21.329 -1.649 14.253 460 H GLY 65 H GLY 65 20.810 3.673 11.873 461 1HA GLY 65 1HA GLY 65 21.198 6.305 13.145 462 2HA GLY 65 2HA GLY 65 22.276 5.766 11.866 463 H ASN 66 H ASN 66 21.801 6.421 9.881 464 HA ASN 66 HA ASN 66 19.416 7.898 9.358 465 1HB ASN 66 1HB ASN 66 21.913 7.875 8.263 466 2HB ASN 66 2HB ASN 66 20.999 6.999 7.039 467 1HD2 ASN 66 2HD2 ASN 66 18.946 8.055 6.347 468 2HD2 ASN 66 1HD2 ASN 66 18.960 9.774 6.168 469 H ASN 67 H ASN 67 17.657 6.534 9.617 470 HA ASN 67 HA ASN 67 16.178 4.848 9.155 471 1HB ASN 67 1HB ASN 67 16.600 6.443 6.913 472 2HB ASN 67 2HB ASN 67 16.671 4.798 6.288 473 1HD2 ASN 67 2HD2 ASN 67 14.879 3.365 7.329 474 2HD2 ASN 67 1HD2 ASN 67 13.295 4.053 7.283 475 H SER 68 H SER 68 18.885 3.957 9.706 476 HA SER 68 HA SER 68 19.196 1.643 7.940 477 1HB SER 68 1HB SER 68 21.171 1.675 9.998 478 2HB SER 68 2HB SER 68 21.385 1.972 8.273 479 HG SER 68 HG SER 68 21.782 3.696 10.114 480 H TRP 69 H TRP 69 18.086 -0.109 8.481 481 HA TRP 69 HA TRP 69 17.611 -0.672 11.326 482 1HB TRP 69 1HB TRP 69 16.205 -1.767 8.880 483 2HB TRP 69 2HB TRP 69 15.800 -2.151 10.551 484 HD1 TRP 69 HD1 TRP 69 16.241 1.198 8.611 485 HE1 TRP 69 HE1 TRP 69 14.248 2.714 9.207 486 HE3 TRP 69 HE3 TRP 69 13.754 -1.942 11.787 487 HZ2 TRP 69 HZ2 TRP 69 11.929 2.595 10.812 488 HZ3 TRP 69 HZ3 TRP 69 11.656 -1.165 12.811 489 HH2 TRP 69 HH2 TRP 69 10.764 1.057 12.333 490 H THR 70 H THR 70 17.911 -2.796 12.136 491 HA THR 70 HA THR 70 19.562 -4.570 10.475 492 HB THR 70 HB THR 70 21.035 -3.236 11.985 493 HG1 THR 70 HG1 THR 70 20.876 -6.026 12.560 494 1HG2 THR 70 1HG2 THR 70 19.524 -2.971 13.875 495 2HG2 THR 70 2HG2 THR 70 21.010 -3.768 14.393 496 3HG2 THR 70 3HG2 THR 70 19.540 -4.712 14.155 497 H LEU 71 H LEU 71 19.456 -6.780 11.002 498 HA LEU 71 HA LEU 71 17.073 -7.499 12.556 499 1HB LEU 71 1HB LEU 71 18.365 -8.536 10.147 500 2HB LEU 71 2HB LEU 71 17.888 -9.789 11.291 501 HG LEU 71 HG LEU 71 16.177 -9.427 9.591 502 1HD1 LEU 71 1HD1 LEU 71 14.271 -9.104 11.084 503 2HD1 LEU 71 2HD1 LEU 71 15.348 -8.469 12.327 504 3HD1 LEU 71 3HD1 LEU 71 15.491 -10.149 11.813 505 1HD2 LEU 71 1HD2 LEU 71 16.311 -6.599 10.584 506 2HD2 LEU 71 2HD2 LEU 71 14.872 -7.234 9.785 507 3HD2 LEU 71 3HD2 LEU 71 16.414 -7.197 8.928 508 H GLU 72 H GLU 72 17.130 -9.055 14.163 509 HA GLU 72 HA GLU 72 19.704 -10.231 14.876 510 1HB GLU 72 1HB GLU 72 18.300 -8.132 16.409 511 2HB GLU 72 2HB GLU 72 18.866 -9.504 17.350 512 1HG GLU 72 1HG GLU 72 20.786 -8.386 17.475 513 2HG GLU 72 2HG GLU 72 21.050 -8.944 15.824 514 HA PRO 73 HA PRO 73 17.314 -13.738 15.989 515 1HB PRO 73 1HB PRO 73 18.767 -14.770 18.037 516 2HB PRO 73 2HB PRO 73 19.298 -14.838 16.353 517 1HG PRO 73 1HG PRO 73 20.107 -12.937 18.519 518 2HG PRO 73 2HG PRO 73 21.117 -13.748 17.308 519 1HD PRO 73 1HD PRO 73 20.326 -11.171 17.055 520 2HD PRO 73 2HD PRO 73 20.571 -12.236 15.656 521 H ALA 74 H ALA 74 15.408 -13.725 16.987 522 HA ALA 74 HA ALA 74 15.171 -12.420 19.606 523 1HB ALA 74 1HB ALA 74 13.378 -12.751 17.299 524 2HB ALA 74 2HB ALA 74 12.614 -12.919 18.881 525 3HB ALA 74 3HB ALA 74 13.489 -11.442 18.477 526 HA PRO 75 HA PRO 75 14.402 -16.148 21.790 527 1HB PRO 75 1HB PRO 75 12.423 -15.424 23.501 528 2HB PRO 75 2HB PRO 75 14.092 -14.868 23.673 529 1HG PRO 75 1HG PRO 75 11.738 -13.453 22.483 530 2HG PRO 75 2HG PRO 75 12.993 -12.822 23.565 531 1HD PRO 75 1HD PRO 75 13.025 -12.394 20.892 532 2HD PRO 75 2HD PRO 75 14.510 -12.548 21.851 533 H ALA 76 H ALA 76 13.177 -17.979 21.703 534 HA ALA 76 HA ALA 76 10.401 -18.062 21.217 535 1HB ALA 76 1HB ALA 76 10.909 -19.259 18.858 536 2HB ALA 76 2HB ALA 76 10.457 -17.561 19.019 537 3HB ALA 76 3HB ALA 76 12.154 -18.009 18.850 538 HA PRO 77 HA PRO 77 10.950 -22.218 22.512 539 1HB PRO 77 1HB PRO 77 8.916 -23.495 21.247 540 2HB PRO 77 2HB PRO 77 8.661 -22.390 22.603 541 1HG PRO 77 1HG PRO 77 8.375 -21.882 19.666 542 2HG PRO 77 2HG PRO 77 7.317 -21.378 20.997 543 1HD PRO 77 1HD PRO 77 9.109 -19.706 19.847 544 2HD PRO 77 2HD PRO 77 8.667 -19.598 21.563 545 H LYS 78 H LYS 78 11.309 -24.463 21.773 546 HA LYS 78 HA LYS 78 13.205 -24.588 19.707 547 1HB LYS 78 1HB LYS 78 11.665 -26.759 21.132 548 2HB LYS 78 2HB LYS 78 12.952 -27.088 19.979 549 1HG LYS 78 1HG LYS 78 13.472 -25.291 22.303 550 2HG LYS 78 2HG LYS 78 13.462 -27.042 22.524 551 1HD LYS 78 1HD LYS 78 15.099 -25.696 20.389 552 2HD LYS 78 2HD LYS 78 15.710 -25.956 22.025 553 1HE LYS 78 1HE LYS 78 14.623 -28.162 20.287 554 2HE LYS 78 2HE LYS 78 16.328 -27.720 20.337 555 1HZ LYS 78 1HZ LYS 78 14.733 -29.156 22.281 556 2HZ LYS 78 2HZ LYS 78 15.787 -28.006 22.935 557 3HZ LYS 78 3HZ LYS 78 16.392 -29.248 21.959 558 H GLU 79 H GLU 79 10.248 -26.559 19.733 559 HA GLU 79 HA GLU 79 9.360 -25.593 17.189 560 1HB GLU 79 1HB GLU 79 11.348 -27.218 16.760 561 2HB GLU 79 2HB GLU 79 10.192 -28.476 17.172 562 1HG GLU 79 1HG GLU 79 10.012 -28.388 14.885 563 2HG GLU 79 2HG GLU 79 8.693 -27.337 15.396 564 H ASP 80 H ASP 80 7.232 -25.962 16.944 565 HA ASP 80 HA ASP 80 5.649 -26.878 19.017 566 1HB ASP 80 1HB ASP 80 5.006 -26.767 16.063 567 2HB ASP 80 2HB ASP 80 3.811 -26.985 17.339 568 H ALA 81 H ALA 81 6.405 -28.610 15.992 569 HA ALA 81 HA ALA 81 5.180 -31.033 16.802 570 1HB ALA 81 1HB ALA 81 7.326 -30.677 14.715 571 2HB ALA 81 2HB ALA 81 6.171 -32.005 14.843 572 3HB ALA 81 3HB ALA 81 5.608 -30.382 14.442 573 H LEU 82 H LEU 82 6.790 -33.097 16.488 574 HA LEU 82 HA LEU 82 8.878 -32.744 18.536 575 1HB LEU 82 1HB LEU 82 7.065 -35.079 17.974 576 2HB LEU 82 2HB LEU 82 8.489 -35.192 19.006 577 HG LEU 82 HG LEU 82 6.391 -33.157 19.622 578 1HD1 LEU 82 1HD1 LEU 82 5.807 -35.383 21.187 579 2HD1 LEU 82 2HD1 LEU 82 5.954 -36.007 19.545 580 3HD1 LEU 82 3HD1 LEU 82 4.820 -34.702 19.893 581 1HD2 LEU 82 1HD2 LEU 82 7.146 -33.593 21.909 582 2HD2 LEU 82 2HD2 LEU 82 8.487 -33.128 20.861 583 3HD2 LEU 82 3HD2 LEU 82 8.261 -34.820 21.307 584 H THR 83 H THR 83 9.847 -32.171 16.204 585 HA THR 83 HA THR 83 11.301 -34.590 15.368 586 HB THR 83 HB THR 83 9.659 -34.051 13.626 587 HG1 THR 83 HG1 THR 83 11.111 -34.410 12.090 588 1HG2 THR 83 1HG2 THR 83 10.355 -31.383 14.238 589 2HG2 THR 83 2HG2 THR 83 9.171 -31.952 13.062 590 3HG2 THR 83 3HG2 THR 83 10.840 -31.670 12.568 591 H VAL 84 H VAL 84 13.358 -34.053 14.206 592 HA VAL 84 HA VAL 84 14.626 -31.730 15.493 593 HB VAL 84 HB VAL 84 15.982 -34.184 14.370 594 1HG1 VAL 84 1HG1 VAL 84 17.967 -33.384 15.391 595 2HG1 VAL 84 2HG1 VAL 84 17.284 -32.028 14.491 596 3HG1 VAL 84 3HG1 VAL 84 17.097 -32.109 16.243 597 1HG2 VAL 84 1HG2 VAL 84 15.174 -35.212 16.187 598 2HG2 VAL 84 2HG2 VAL 84 16.342 -34.244 17.087 599 3HG2 VAL 84 3HG2 VAL 84 14.672 -33.696 16.935 600 H VAL 85 H VAL 85 13.936 -30.272 13.846 601 HA VAL 85 HA VAL 85 15.203 -30.667 11.221 602 HB VAL 85 HB VAL 85 13.686 -28.814 10.465 603 1HG1 VAL 85 1HG1 VAL 85 11.555 -30.404 10.943 604 2HG1 VAL 85 2HG1 VAL 85 12.780 -30.737 9.717 605 3HG1 VAL 85 3HG1 VAL 85 12.875 -31.519 11.295 606 1HG2 VAL 85 1HG2 VAL 85 11.797 -29.202 12.644 607 2HG2 VAL 85 2HG2 VAL 85 13.290 -28.420 13.165 608 3HG2 VAL 85 3HG2 VAL 85 12.332 -27.715 11.863 609 H GLY 86 H GLY 86 15.215 -28.720 14.071 610 1HA GLY 86 1HA GLY 86 17.442 -27.172 12.966 611 2HA GLY 86 2HA GLY 86 16.066 -26.281 13.600 612 H ASP 87 H ASP 87 18.052 -25.485 14.888 613 HA ASP 87 HA ASP 87 17.829 -26.612 17.518 614 1HB ASP 87 1HB ASP 87 19.523 -28.115 16.624 615 2HB ASP 87 2HB ASP 87 20.487 -26.745 16.080 616 H TRP 88 H TRP 88 18.530 -25.208 19.134 617 HA TRP 88 HA TRP 88 19.626 -22.631 18.241 618 1HB TRP 88 1HB TRP 88 17.129 -22.521 18.571 619 2HB TRP 88 2HB TRP 88 17.402 -22.892 20.271 620 HD1 TRP 88 HD1 TRP 88 17.145 -20.748 21.630 621 HE1 TRP 88 HE1 TRP 88 17.860 -18.290 21.364 622 HE3 TRP 88 HE3 TRP 88 19.319 -21.030 17.011 623 HZ2 TRP 88 HZ2 TRP 88 19.172 -16.683 19.450 624 HZ3 TRP 88 HZ3 TRP 88 20.280 -18.987 16.033 625 HH2 TRP 88 HH2 TRP 88 20.207 -16.860 17.229 626 H LEU 89 H LEU 89 21.352 -22.036 19.372 627 HA LEU 89 HA LEU 89 21.893 -23.397 21.915 628 1HB LEU 89 1HB LEU 89 23.487 -23.288 19.816 629 2HB LEU 89 2HB LEU 89 23.928 -21.733 20.518 630 HG LEU 89 HG LEU 89 25.508 -23.448 21.179 631 1HD1 LEU 89 1HD1 LEU 89 23.929 -22.995 23.662 632 2HD1 LEU 89 2HD1 LEU 89 24.554 -21.602 22.781 633 3HD1 LEU 89 3HD1 LEU 89 25.663 -22.835 23.379 634 1HD2 LEU 89 1HD2 LEU 89 23.385 -25.156 21.170 635 2HD2 LEU 89 2HD2 LEU 89 23.649 -24.921 22.898 636 3HD2 LEU 89 3HD2 LEU 89 24.963 -25.507 21.877 637 H GLY 90 H GLY 90 20.742 -22.144 23.361 638 1HA GLY 90 1HA GLY 90 21.029 -19.264 23.368 639 2HA GLY 90 2HA GLY 90 20.102 -20.226 24.510 640 H ASP 91 H ASP 91 21.004 -20.821 26.429 641 HA ASP 91 HA ASP 91 22.419 -20.755 28.209 642 1HB ASP 91 1HB ASP 91 23.798 -22.158 26.637 643 2HB ASP 91 2HB ASP 91 24.646 -20.687 26.168 644 H ALA 92 H ALA 92 21.419 -18.283 27.127 645 HA ALA 92 HA ALA 92 23.632 -16.421 27.642 646 1HB ALA 92 1HB ALA 92 22.490 -14.797 26.433 647 2HB ALA 92 2HB ALA 92 22.137 -16.282 25.548 648 3HB ALA 92 3HB ALA 92 20.932 -15.598 26.640 649 H ARG 93 H ARG 93 22.978 -17.539 29.929 650 HA ARG 93 HA ARG 93 21.357 -15.498 31.294 651 1HB ARG 93 1HB ARG 93 20.475 -17.200 32.804 652 2HB ARG 93 2HB ARG 93 20.060 -17.576 31.137 653 1HG ARG 93 1HG ARG 93 21.682 -19.300 31.028 654 2HG ARG 93 2HG ARG 93 22.406 -18.801 32.558 655 1HD ARG 93 1HD ARG 93 20.037 -19.271 33.523 656 2HD ARG 93 2HD ARG 93 19.825 -20.224 32.055 657 HE ARG 93 HE ARG 93 22.244 -20.946 33.294 658 1HH1 ARG 93 2HH1 ARG 93 18.802 -21.215 33.741 659 2HH1 ARG 93 1HH1 ARG 93 18.902 -22.695 34.635 660 1HH2 ARG 93 2HH2 ARG 93 22.389 -22.895 34.471 661 2HH2 ARG 93 1HH2 ARG 93 20.943 -23.649 35.051 662 H GLU 94 H GLU 94 21.901 -15.183 33.555 663 HA GLU 94 HA GLU 94 24.681 -15.000 33.979 664 1HB GLU 94 1HB GLU 94 22.303 -14.660 35.793 665 2HB GLU 94 2HB GLU 94 23.948 -14.483 36.386 666 1HG GLU 94 1HG GLU 94 23.062 -12.321 35.868 667 2HG GLU 94 2HG GLU 94 24.328 -12.716 34.708 668 H ASN 95 H ASN 95 25.998 -16.656 34.326 669 HA ASN 95 HA ASN 95 25.005 -19.015 35.750 670 1HB ASN 95 1HB ASN 95 26.237 -19.097 33.470 671 2HB ASN 95 2HB ASN 95 27.694 -18.815 34.419 672 1HD2 ASN 95 2HD2 ASN 95 24.974 -20.983 33.954 673 2HD2 ASN 95 1HD2 ASN 95 25.744 -22.388 34.600 674 H ASP 96 H ASP 96 27.215 -16.362 36.041 675 HA ASP 96 HA ASP 96 28.415 -17.529 38.449 676 1HB ASP 96 1HB ASP 96 29.188 -14.998 36.983 677 2HB ASP 96 2HB ASP 96 30.084 -15.769 38.289 678 H LEU 97 H LEU 97 27.926 -16.824 40.434 679 HA LEU 97 HA LEU 97 26.797 -14.192 40.858 680 1HB LEU 97 1HB LEU 97 24.768 -14.917 41.878 681 2HB LEU 97 2HB LEU 97 24.860 -15.624 40.266 682 HG LEU 97 HG LEU 97 25.663 -17.180 42.706 683 1HD1 LEU 97 1HD1 LEU 97 23.331 -18.166 42.532 684 2HD1 LEU 97 2HD1 LEU 97 22.908 -16.734 41.594 685 3HD1 LEU 97 3HD1 LEU 97 23.463 -16.565 43.259 686 1HD2 LEU 97 1HD2 LEU 97 26.211 -18.633 41.111 687 2HD2 LEU 97 2HD2 LEU 97 25.436 -17.663 39.859 688 3HD2 LEU 97 3HD2 LEU 97 24.484 -18.812 40.801 689 H GLU 98 H GLU 98 27.143 -13.428 42.904 690 HA GLU 98 HA GLU 98 28.760 -15.144 44.641 691 1HB GLU 98 1HB GLU 98 28.461 -12.173 44.346 692 2HB GLU 98 2HB GLU 98 29.125 -12.853 45.825 693 1HG GLU 98 1HG GLU 98 30.939 -12.257 44.411 694 2HG GLU 98 2HG GLU 98 30.837 -14.016 44.448 695 H HIS 99 H HIS 99 28.227 -15.587 46.740 696 HA HIS 99 HA HIS 99 25.506 -15.642 47.444 697 1HB HIS 99 1HB HIS 99 28.070 -16.265 48.819 698 2HB HIS 99 2HB HIS 99 26.645 -16.041 49.829 699 HD1 HIS 99 HD1 HIS 99 28.305 -18.763 49.102 700 HD2 HIS 99 HD2 HIS 99 24.527 -17.628 47.798 701 HE1 HIS 99 HE1 HIS 99 27.141 -20.901 48.472 702 H HIS 100 H HIS 100 24.397 -13.792 47.678 703 HA HIS 100 HA HIS 100 24.961 -12.111 49.928 704 1HB HIS 100 1HB HIS 100 26.376 -11.307 47.839 705 2HB HIS 100 2HB HIS 100 24.843 -10.579 47.366 706 HD1 HIS 100 HD1 HIS 100 27.255 -10.553 50.297 707 HD2 HIS 100 HD2 HIS 100 24.340 -8.176 48.533 708 HE1 HIS 100 HE1 HIS 100 27.333 -8.365 51.534 709 H HIS 101 H HIS 101 23.328 -10.235 49.988 710 HA HIS 101 HA HIS 101 20.747 -11.280 49.039 711 1HB HIS 101 1HB HIS 101 21.429 -9.510 51.391 712 2HB HIS 101 2HB HIS 101 19.780 -9.848 50.873 713 HD1 HIS 101 HD1 HIS 101 18.754 -11.584 52.282 714 HD2 HIS 101 HD2 HIS 101 22.824 -12.242 51.764 715 HE1 HIS 101 HE1 HIS 101 19.263 -13.688 53.563 716 H HIS 102 H HIS 102 19.418 -10.055 47.809 717 HA HIS 102 HA HIS 102 20.478 -7.475 46.898 718 1HB HIS 102 1HB HIS 102 19.963 -9.334 45.247 719 2HB HIS 102 2HB HIS 102 18.261 -9.080 45.622 720 HD1 HIS 102 HD1 HIS 102 17.117 -7.521 44.090 721 HD2 HIS 102 HD2 HIS 102 21.194 -6.749 44.308 722 HE1 HIS 102 HE1 HIS 102 17.536 -5.653 42.460 723 H HIS 103 H HIS 103 17.473 -9.010 47.993 724 HA HIS 103 HA HIS 103 16.372 -6.327 48.505 725 1HB HIS 103 1HB HIS 103 14.153 -7.343 48.392 726 2HB HIS 103 2HB HIS 103 15.056 -7.677 46.918 727 HD1 HIS 103 HD1 HIS 103 14.128 -9.399 50.171 728 HD2 HIS 103 HD2 HIS 103 15.180 -10.311 46.257 729 HE1 HIS 103 HE1 HIS 103 13.851 -11.890 49.963 730 H HIS 104 H HIS 104 14.933 -6.164 50.415 731 HA HIS 104 HA HIS 104 16.252 -6.901 52.760 732 1HB HIS 104 1HB HIS 104 14.269 -6.100 53.942 733 2HB HIS 104 2HB HIS 104 14.677 -5.013 52.618 734 HD1 HIS 104 HD1 HIS 104 11.870 -6.645 54.085 735 HD2 HIS 104 HD2 HIS 104 13.002 -5.696 50.202 736 HE1 HIS 104 HE1 HIS 104 9.755 -6.731 52.728 Start of MODEL 12 1 1H ALA 1 H ALA 1 1.605 0.631 0.661 2 HA ALA 1 HA ALA 1 1.629 0.686 -2.072 3 1HB ALA 1 1HB ALA 1 3.935 0.186 -0.198 4 2HB ALA 1 2HB ALA 1 4.113 0.570 -1.911 5 3HB ALA 1 3HB ALA 1 3.374 1.739 -0.817 6 H GLN 2 H GLN 2 0.978 -0.961 -3.326 7 HA GLN 2 HA GLN 2 1.285 -3.686 -2.771 8 1HB GLN 2 1HB GLN 2 -0.365 -2.929 -4.362 9 2HB GLN 2 2HB GLN 2 0.884 -2.258 -5.402 10 1HG GLN 2 1HG GLN 2 0.113 -4.306 -6.352 11 2HG GLN 2 2HG GLN 2 1.755 -4.545 -5.758 12 1HE2 GLN 2 2HE2 GLN 2 1.754 -6.665 -5.321 13 2HE2 GLN 2 1HE2 GLN 2 0.689 -7.442 -4.204 14 H VAL 3 H VAL 3 3.026 -4.932 -2.776 15 HA VAL 3 HA VAL 3 5.193 -4.357 -4.670 16 HB VAL 3 HB VAL 3 5.604 -4.942 -1.734 17 1HG1 VAL 3 1HG1 VAL 3 8.020 -4.177 -2.829 18 2HG1 VAL 3 2HG1 VAL 3 7.544 -5.822 -2.400 19 3HG1 VAL 3 3HG1 VAL 3 7.329 -5.242 -4.053 20 1HG2 VAL 3 1HG2 VAL 3 5.200 -2.710 -1.662 21 2HG2 VAL 3 2HG2 VAL 3 6.897 -2.641 -2.137 22 3HG2 VAL 3 3HG2 VAL 3 5.633 -2.463 -3.354 23 H ASN 4 H ASN 4 5.603 -6.103 -5.841 24 HA ASN 4 HA ASN 4 5.121 -8.750 -4.637 25 1HB ASN 4 1HB ASN 4 4.907 -9.398 -7.180 26 2HB ASN 4 2HB ASN 4 3.538 -8.699 -6.321 27 1HD2 ASN 4 2HD2 ASN 4 5.804 -8.320 -8.848 28 2HD2 ASN 4 1HD2 ASN 4 5.232 -6.801 -9.440 29 H ILE 5 H ILE 5 7.000 -9.672 -4.156 30 HA ILE 5 HA ILE 5 9.221 -9.403 -6.076 31 HB ILE 5 HB ILE 5 9.439 -9.781 -3.087 32 1HG1 ILE 5 1HG1 ILE 5 10.255 -7.371 -4.711 33 2HG1 ILE 5 2HG1 ILE 5 8.684 -7.501 -3.927 34 1HG2 ILE 5 1HG2 ILE 5 11.250 -10.876 -4.247 35 2HG2 ILE 5 2HG2 ILE 5 11.549 -9.431 -5.211 36 3HG2 ILE 5 3HG2 ILE 5 11.851 -9.409 -3.474 37 1HD1 ILE 5 1HD1 ILE 5 11.218 -7.836 -2.373 38 2HD1 ILE 5 2HD1 ILE 5 10.553 -6.239 -2.720 39 3HD1 ILE 5 3HD1 ILE 5 9.607 -7.407 -1.798 40 H ALA 6 H ALA 6 10.192 -11.224 -6.786 41 HA ALA 6 HA ALA 6 8.953 -13.756 -6.086 42 1HB ALA 6 1HB ALA 6 11.193 -13.565 -8.039 43 2HB ALA 6 2HB ALA 6 9.748 -14.577 -8.071 44 3HB ALA 6 3HB ALA 6 9.631 -12.861 -8.462 45 HA PRO 7 HA PRO 7 12.144 -14.839 -3.212 46 1HB PRO 7 1HB PRO 7 11.485 -17.460 -2.952 47 2HB PRO 7 2HB PRO 7 10.558 -16.156 -2.198 48 1HG PRO 7 1HG PRO 7 10.002 -17.660 -4.727 49 2HG PRO 7 2HG PRO 7 8.880 -17.182 -3.439 50 1HD PRO 7 1HD PRO 7 9.092 -15.816 -5.767 51 2HD PRO 7 2HD PRO 7 8.694 -15.025 -4.228 52 H GLY 8 H GLY 8 13.386 -17.256 -3.057 53 1HA GLY 8 1HA GLY 8 14.639 -18.843 -4.342 54 2HA GLY 8 2HA GLY 8 14.525 -17.760 -5.722 55 H SER 9 H SER 9 15.213 -16.102 -2.866 56 HA SER 9 HA SER 9 17.955 -16.473 -2.542 57 1HB SER 9 1HB SER 9 17.198 -14.743 -4.817 58 2HB SER 9 2HB SER 9 18.424 -14.081 -3.736 59 HG SER 9 HG SER 9 19.054 -15.540 -5.605 60 H LEU 10 H LEU 10 18.026 -15.872 -0.484 61 HA LEU 10 HA LEU 10 16.312 -14.164 0.838 62 1HB LEU 10 1HB LEU 10 18.059 -15.784 1.771 63 2HB LEU 10 2HB LEU 10 19.200 -14.451 1.608 64 HG LEU 10 HG LEU 10 16.675 -14.227 3.230 65 1HD1 LEU 10 1HD1 LEU 10 18.866 -15.901 3.792 66 2HD1 LEU 10 2HD1 LEU 10 17.539 -15.450 4.862 67 3HD1 LEU 10 3HD1 LEU 10 19.020 -14.492 4.842 68 1HD2 LEU 10 1HD2 LEU 10 18.951 -12.509 2.592 69 2HD2 LEU 10 2HD2 LEU 10 18.605 -12.619 4.318 70 3HD2 LEU 10 3HD2 LEU 10 17.347 -12.093 3.198 71 H ASP 11 H ASP 11 19.636 -13.371 -0.196 72 HA ASP 11 HA ASP 11 19.565 -10.664 0.434 73 1HB ASP 11 1HB ASP 11 21.487 -10.411 -0.978 74 2HB ASP 11 2HB ASP 11 21.596 -11.995 -0.215 75 H LYS 12 H LYS 12 18.536 -12.338 -2.497 76 HA LYS 12 HA LYS 12 18.072 -10.101 -4.113 77 1HB LYS 12 1HB LYS 12 18.092 -12.368 -5.008 78 2HB LYS 12 2HB LYS 12 16.658 -12.773 -4.075 79 1HG LYS 12 1HG LYS 12 16.019 -12.390 -6.346 80 2HG LYS 12 2HG LYS 12 15.399 -11.067 -5.356 81 1HD LYS 12 1HD LYS 12 16.313 -9.760 -6.943 82 2HD LYS 12 2HD LYS 12 17.822 -10.082 -6.086 83 1HE LYS 12 1HE LYS 12 18.648 -11.105 -7.875 84 2HE LYS 12 2HE LYS 12 17.297 -12.238 -7.880 85 1HZ LYS 12 1HZ LYS 12 16.024 -10.427 -9.063 86 2HZ LYS 12 2HZ LYS 12 17.248 -11.180 -9.953 87 3HZ LYS 12 3HZ LYS 12 17.507 -9.645 -9.291 88 H ALA 13 H ALA 13 15.723 -11.951 -2.165 89 HA ALA 13 HA ALA 13 13.536 -10.269 -2.586 90 1HB ALA 13 1HB ALA 13 12.710 -11.252 -0.385 91 2HB ALA 13 2HB ALA 13 13.085 -12.387 -1.682 92 3HB ALA 13 3HB ALA 13 14.223 -12.158 -0.355 93 H LEU 14 H LEU 14 16.202 -10.041 -0.327 94 HA LEU 14 HA LEU 14 15.076 -8.063 1.360 95 1HB LEU 14 1HB LEU 14 16.855 -9.076 2.366 96 2HB LEU 14 2HB LEU 14 17.781 -9.177 0.870 97 HG LEU 14 HG LEU 14 18.307 -6.779 1.057 98 1HD1 LEU 14 1HD1 LEU 14 16.505 -5.857 2.238 99 2HD1 LEU 14 2HD1 LEU 14 17.871 -5.754 3.349 100 3HD1 LEU 14 3HD1 LEU 14 16.660 -7.019 3.556 101 1HD2 LEU 14 1HD2 LEU 14 19.107 -7.814 3.703 102 2HD2 LEU 14 2HD2 LEU 14 20.090 -7.166 2.389 103 3HD2 LEU 14 3HD2 LEU 14 19.502 -8.828 2.315 104 H ASN 15 H ASN 15 17.453 -7.818 -1.287 105 HA ASN 15 HA ASN 15 17.619 -5.016 -1.286 106 1HB ASN 15 1HB ASN 15 18.003 -6.793 -3.698 107 2HB ASN 15 2HB ASN 15 18.741 -5.224 -3.392 108 1HD2 ASN 15 2HD2 ASN 15 19.803 -8.004 -3.864 109 2HD2 ASN 15 1HD2 ASN 15 20.930 -8.251 -2.577 110 H GLN 16 H GLN 16 15.372 -7.227 -2.803 111 HA GLN 16 HA GLN 16 14.214 -5.509 -4.678 112 1HB GLN 16 1HB GLN 16 13.072 -7.836 -3.136 113 2HB GLN 16 2HB GLN 16 12.178 -6.996 -4.396 114 1HG GLN 16 1HG GLN 16 14.876 -7.917 -5.131 115 2HG GLN 16 2HG GLN 16 13.683 -9.177 -4.822 116 1HE2 GLN 16 2HE2 GLN 16 14.300 -9.455 -7.190 117 2HE2 GLN 16 1HE2 GLN 16 13.292 -8.645 -8.336 118 H TYR 17 H TYR 17 13.067 -6.281 -1.389 119 HA TYR 17 HA TYR 17 11.087 -4.221 -1.428 120 1HB TYR 17 1HB TYR 17 10.400 -5.054 0.592 121 2HB TYR 17 2HB TYR 17 11.294 -6.453 0.006 122 HD1 TYR 17 HD1 TYR 17 13.297 -7.180 1.087 123 HD2 TYR 17 HD2 TYR 17 11.403 -3.569 2.302 124 HE1 TYR 17 HE1 TYR 17 14.720 -7.115 3.092 125 HE2 TYR 17 HE2 TYR 17 12.822 -3.493 4.309 126 HH TYR 17 HH TYR 17 15.289 -4.548 4.861 127 H ALA 18 H ALA 18 14.378 -4.496 -0.256 128 HA ALA 18 HA ALA 18 14.504 -2.269 1.409 129 1HB ALA 18 1HB ALA 18 16.704 -3.287 -0.384 130 2HB ALA 18 2HB ALA 18 16.892 -2.323 1.081 131 3HB ALA 18 3HB ALA 18 16.281 -3.974 1.185 132 H ALA 19 H ALA 19 14.966 -2.505 -2.098 133 HA ALA 19 HA ALA 19 15.529 0.294 -2.398 134 1HB ALA 19 1HB ALA 19 14.903 -0.536 -4.904 135 2HB ALA 19 2HB ALA 19 16.497 -0.694 -4.167 136 3HB ALA 19 3HB ALA 19 15.378 -2.057 -4.148 137 H HIS 20 H HIS 20 12.694 -1.678 -2.331 138 HA HIS 20 HA HIS 20 10.975 0.089 -3.763 139 1HB HIS 20 1HB HIS 20 10.641 -2.348 -2.095 140 2HB HIS 20 2HB HIS 20 9.233 -1.306 -2.278 141 HD1 HIS 20 HD1 HIS 20 9.351 -0.521 -5.174 142 HD2 HIS 20 HD2 HIS 20 10.237 -4.359 -3.853 143 HE1 HIS 20 HE1 HIS 20 9.002 -2.016 -7.167 144 H SER 21 H SER 21 12.106 -0.098 -0.491 145 HA SER 21 HA SER 21 10.099 1.807 0.442 146 1HB SER 21 1HB SER 21 12.140 0.071 1.786 147 2HB SER 21 2HB SER 21 11.500 1.477 2.638 148 HG SER 21 HG SER 21 9.743 -0.338 1.406 149 H GLY 22 H GLY 22 13.556 1.569 -0.183 150 1HA GLY 22 1HA GLY 22 14.952 3.343 -0.809 151 2HA GLY 22 2HA GLY 22 13.709 4.473 -0.294 152 H PHE 23 H PHE 23 14.635 1.913 1.840 153 HA PHE 23 HA PHE 23 16.071 3.875 3.505 154 1HB PHE 23 1HB PHE 23 15.134 2.962 5.432 155 2HB PHE 23 2HB PHE 23 13.801 2.869 4.286 156 HD1 PHE 23 HD1 PHE 23 15.630 1.103 6.679 157 HD2 PHE 23 HD2 PHE 23 13.700 0.611 2.918 158 HE1 PHE 23 HE1 PHE 23 15.454 -1.316 7.090 159 HE2 PHE 23 HE2 PHE 23 13.519 -1.809 3.323 160 HZ PHE 23 HZ PHE 23 14.396 -2.776 5.412 161 H THR 24 H THR 24 17.567 2.760 5.131 162 HA THR 24 HA THR 24 19.194 0.818 3.646 163 HB THR 24 HB THR 24 20.011 2.511 6.014 164 HG1 THR 24 HG1 THR 24 21.096 3.759 4.388 165 1HG2 THR 24 1HG2 THR 24 21.580 0.842 6.013 166 2HG2 THR 24 2HG2 THR 24 22.308 1.924 4.826 167 3HG2 THR 24 3HG2 THR 24 21.391 0.516 4.291 168 H LEU 25 H LEU 25 20.045 -1.024 4.667 169 HA LEU 25 HA LEU 25 18.941 -1.715 7.292 170 1HB LEU 25 1HB LEU 25 17.461 -2.644 5.542 171 2HB LEU 25 2HB LEU 25 18.836 -3.531 4.888 172 HG LEU 25 HG LEU 25 18.802 -4.362 7.497 173 1HD1 LEU 25 1HD1 LEU 25 16.479 -3.074 7.430 174 2HD1 LEU 25 2HD1 LEU 25 16.704 -4.567 8.339 175 3HD1 LEU 25 3HD1 LEU 25 15.946 -4.610 6.747 176 1HD2 LEU 25 1HD2 LEU 25 18.993 -5.635 5.305 177 2HD2 LEU 25 2HD2 LEU 25 17.231 -5.714 5.320 178 3HD2 LEU 25 3HD2 LEU 25 18.159 -6.450 6.628 179 H SER 26 H SER 26 20.188 -3.121 8.508 180 HA SER 26 HA SER 26 22.790 -3.868 7.343 181 1HB SER 26 1HB SER 26 23.886 -3.331 9.424 182 2HB SER 26 2HB SER 26 22.935 -1.930 8.932 183 HG SER 26 HG SER 26 21.266 -2.809 10.368 184 H VAL 27 H VAL 27 22.535 -6.008 7.029 185 HA VAL 27 HA VAL 27 21.921 -7.639 9.397 186 HB VAL 27 HB VAL 27 19.912 -7.780 8.148 187 1HG1 VAL 27 1HG1 VAL 27 21.724 -7.997 5.773 188 2HG1 VAL 27 2HG1 VAL 27 20.063 -8.590 5.699 189 3HG1 VAL 27 3HG1 VAL 27 20.380 -6.891 6.053 190 1HG2 VAL 27 1HG2 VAL 27 21.248 -9.955 8.839 191 2HG2 VAL 27 2HG2 VAL 27 19.714 -10.050 7.974 192 3HG2 VAL 27 3HG2 VAL 27 21.233 -10.227 7.097 193 H ASP 28 H ASP 28 23.185 -9.409 9.683 194 HA ASP 28 HA ASP 28 25.604 -9.583 8.170 195 1HB ASP 28 1HB ASP 28 24.531 -11.467 10.282 196 2HB ASP 28 2HB ASP 28 26.190 -11.402 9.693 197 H ALA 29 H ALA 29 25.207 -10.193 6.080 198 HA ALA 29 HA ALA 29 23.509 -12.412 5.427 199 1HB ALA 29 1HB ALA 29 23.970 -10.378 3.973 200 2HB ALA 29 2HB ALA 29 25.512 -11.140 3.585 201 3HB ALA 29 3HB ALA 29 24.001 -11.951 3.175 202 H SER 30 H SER 30 26.417 -12.360 6.868 203 HA SER 30 HA SER 30 28.122 -14.036 5.507 204 1HB SER 30 1HB SER 30 28.914 -13.089 7.527 205 2HB SER 30 2HB SER 30 27.571 -13.751 8.459 206 HG SER 30 HG SER 30 29.957 -14.887 7.803 207 H LEU 31 H LEU 31 25.566 -15.012 7.790 208 HA LEU 31 HA LEU 31 25.894 -17.798 7.072 209 1HB LEU 31 1HB LEU 31 24.431 -18.294 8.817 210 2HB LEU 31 2HB LEU 31 25.345 -16.901 9.392 211 HG LEU 31 HG LEU 31 23.103 -16.564 10.059 212 1HD1 LEU 31 1HD1 LEU 31 23.546 -14.955 7.549 213 2HD1 LEU 31 2HD1 LEU 31 24.229 -14.591 9.133 214 3HD1 LEU 31 3HD1 LEU 31 22.483 -14.532 8.893 215 1HD2 LEU 31 1HD2 LEU 31 21.917 -16.628 7.363 216 2HD2 LEU 31 2HD2 LEU 31 21.257 -17.159 8.910 217 3HD2 LEU 31 3HD2 LEU 31 22.387 -18.190 8.033 218 H THR 32 H THR 32 24.263 -15.184 5.795 219 HA THR 32 HA THR 32 21.848 -16.476 4.971 220 HB THR 32 HB THR 32 23.174 -13.951 3.965 221 HG1 THR 32 HG1 THR 32 22.362 -13.944 6.156 222 1HG2 THR 32 1HG2 THR 32 21.807 -14.404 2.185 223 2HG2 THR 32 2HG2 THR 32 20.647 -13.601 3.244 224 3HG2 THR 32 3HG2 THR 32 20.684 -15.361 3.151 225 H ARG 33 H ARG 33 25.061 -16.134 3.655 226 HA ARG 33 HA ARG 33 24.651 -16.650 0.974 227 1HB ARG 33 1HB ARG 33 26.886 -17.267 2.866 228 2HB ARG 33 2HB ARG 33 26.943 -17.911 1.231 229 1HG ARG 33 1HG ARG 33 26.564 -14.991 1.834 230 2HG ARG 33 2HG ARG 33 28.145 -15.739 1.593 231 1HD ARG 33 1HD ARG 33 25.902 -15.882 -0.413 232 2HD ARG 33 2HD ARG 33 27.156 -14.643 -0.439 233 HE ARG 33 HE ARG 33 27.403 -17.362 -1.293 234 1HH1 ARG 33 2HH1 ARG 33 29.135 -14.639 0.013 235 2HH1 ARG 33 1HH1 ARG 33 30.668 -15.148 -0.613 236 1HH2 ARG 33 2HH2 ARG 33 29.416 -18.042 -2.123 237 2HH2 ARG 33 1HH2 ARG 33 30.827 -17.083 -1.828 238 H GLY 34 H GLY 34 23.317 -18.179 0.218 239 1HA GLY 34 1HA GLY 34 23.143 -20.469 -0.491 240 2HA GLY 34 2HA GLY 34 23.844 -20.956 1.045 241 H LYS 35 H LYS 35 21.547 -18.492 1.370 242 HA LYS 35 HA LYS 35 19.453 -20.456 2.034 243 1HB LYS 35 1HB LYS 35 20.291 -19.669 4.117 244 2HB LYS 35 2HB LYS 35 20.327 -18.003 3.554 245 1HG LYS 35 1HG LYS 35 18.060 -17.723 3.808 246 2HG LYS 35 2HG LYS 35 17.724 -19.451 3.670 247 1HD LYS 35 1HD LYS 35 17.396 -18.650 5.961 248 2HD LYS 35 2HD LYS 35 18.707 -19.829 5.870 249 1HE LYS 35 1HE LYS 35 20.289 -18.307 6.416 250 2HE LYS 35 2HE LYS 35 19.482 -17.000 5.552 251 1HZ LYS 35 1HZ LYS 35 18.887 -18.031 8.263 252 2HZ LYS 35 2HZ LYS 35 17.807 -17.042 7.416 253 3HZ LYS 35 3HZ LYS 35 19.345 -16.463 7.819 254 H GLN 36 H GLN 36 17.272 -19.734 1.817 255 HA GLN 36 HA GLN 36 16.978 -17.439 -0.008 256 1HB GLN 36 1HB GLN 36 15.117 -18.602 -1.060 257 2HB GLN 36 2HB GLN 36 16.566 -19.597 -1.120 258 1HG GLN 36 1HG GLN 36 14.716 -19.998 1.160 259 2HG GLN 36 2HG GLN 36 14.205 -20.568 -0.428 260 1HE2 GLN 36 2HE2 GLN 36 15.122 -21.882 2.156 261 2HE2 GLN 36 1HE2 GLN 36 16.302 -23.032 1.637 262 H SER 37 H SER 37 14.481 -16.830 -0.063 263 HA SER 37 HA SER 37 13.214 -16.962 2.534 264 1HB SER 37 1HB SER 37 14.579 -15.127 3.084 265 2HB SER 37 2HB SER 37 14.444 -14.428 1.470 266 HG SER 37 HG SER 37 12.330 -13.860 1.919 267 H ASN 38 H ASN 38 11.061 -16.041 2.534 268 HA ASN 38 HA ASN 38 9.746 -16.447 0.010 269 1HB ASN 38 1HB ASN 38 8.873 -15.972 2.827 270 2HB ASN 38 2HB ASN 38 7.722 -15.659 1.531 271 1HD2 ASN 38 2HD2 ASN 38 8.854 -17.934 3.623 272 2HD2 ASN 38 1HD2 ASN 38 8.315 -19.361 2.812 273 H GLY 39 H GLY 39 9.251 -14.947 -1.449 274 1HA GLY 39 1HA GLY 39 10.019 -12.248 -1.164 275 2HA GLY 39 2HA GLY 39 9.019 -12.898 -2.456 276 H LEU 40 H LEU 40 8.063 -10.677 -2.155 277 HA LEU 40 HA LEU 40 6.069 -10.686 0.011 278 1HB LEU 40 1HB LEU 40 7.667 -8.795 -0.003 279 2HB LEU 40 2HB LEU 40 7.076 -8.346 -1.602 280 HG LEU 40 HG LEU 40 4.892 -7.827 -0.677 281 1HD1 LEU 40 1HD1 LEU 40 5.898 -9.338 1.569 282 2HD1 LEU 40 2HD1 LEU 40 4.244 -8.878 1.169 283 3HD1 LEU 40 3HD1 LEU 40 5.272 -7.768 2.074 284 1HD2 LEU 40 1HD2 LEU 40 7.075 -6.300 -0.476 285 2HD2 LEU 40 2HD2 LEU 40 6.667 -6.430 1.235 286 3HD2 LEU 40 3HD2 LEU 40 5.489 -5.781 0.093 287 H HIS 41 H HIS 41 3.940 -9.828 -0.503 288 HA HIS 41 HA HIS 41 3.140 -9.563 -3.246 289 1HB HIS 41 1HB HIS 41 3.282 -12.147 -2.425 290 2HB HIS 41 2HB HIS 41 1.629 -11.753 -1.961 291 HD1 HIS 41 HD1 HIS 41 0.241 -12.817 -3.723 292 HD2 HIS 41 HD2 HIS 41 3.459 -10.730 -5.320 293 HE1 HIS 41 HE1 HIS 41 -0.075 -12.901 -6.216 294 H GLY 42 H GLY 42 2.089 -7.690 -2.834 295 1HA GLY 42 1HA GLY 42 -0.314 -7.097 -2.349 296 2HA GLY 42 2HA GLY 42 -0.002 -7.751 -0.748 297 H ASP 43 H ASP 43 -0.852 -5.489 -0.289 298 HA ASP 43 HA ASP 43 1.148 -3.394 -0.606 299 1HB ASP 43 1HB ASP 43 -0.613 -1.984 0.553 300 2HB ASP 43 2HB ASP 43 -1.077 -2.655 -1.009 301 H TYR 44 H TYR 44 2.701 -3.145 0.843 302 HA TYR 44 HA TYR 44 2.104 -3.316 3.676 303 1HB TYR 44 1HB TYR 44 4.224 -5.068 2.416 304 2HB TYR 44 2HB TYR 44 3.957 -4.873 4.144 305 HD1 TYR 44 HD1 TYR 44 2.974 -6.624 1.163 306 HD2 TYR 44 HD2 TYR 44 1.762 -5.654 5.124 307 HE1 TYR 44 HE1 TYR 44 1.350 -8.471 1.112 308 HE2 TYR 44 HE2 TYR 44 0.137 -7.499 5.085 309 HH TYR 44 HH TYR 44 -0.108 -9.711 3.819 310 H ASP 45 H ASP 45 3.125 -1.741 4.722 311 HA ASP 45 HA ASP 45 4.745 0.138 3.439 312 1HB ASP 45 1HB ASP 45 4.768 -0.345 6.416 313 2HB ASP 45 2HB ASP 45 5.007 1.175 5.559 314 H VAL 46 H VAL 46 6.942 0.743 4.765 315 HA VAL 46 HA VAL 46 8.881 -1.030 3.803 316 HB VAL 46 HB VAL 46 9.457 1.273 4.167 317 1HG1 VAL 46 1HG1 VAL 46 9.197 0.837 7.133 318 2HG1 VAL 46 2HG1 VAL 46 9.480 2.354 6.278 319 3HG1 VAL 46 3HG1 VAL 46 7.919 1.544 6.145 320 1HG2 VAL 46 1HG2 VAL 46 11.248 -0.414 4.383 321 2HG2 VAL 46 2HG2 VAL 46 11.565 1.040 5.330 322 3HG2 VAL 46 3HG2 VAL 46 10.995 -0.426 6.129 323 H GLU 47 H GLU 47 7.661 -0.538 7.104 324 HA GLU 47 HA GLU 47 9.327 -2.563 8.239 325 1HB GLU 47 1HB GLU 47 6.918 -1.067 9.261 326 2HB GLU 47 2HB GLU 47 7.732 -2.302 10.211 327 1HG GLU 47 1HG GLU 47 9.805 -1.017 10.112 328 2HG GLU 47 2HG GLU 47 8.991 0.221 9.157 329 H SER 48 H SER 48 5.835 -2.391 7.552 330 HA SER 48 HA SER 48 5.150 -4.965 8.323 331 1HB SER 48 1HB SER 48 3.914 -2.817 6.888 332 2HB SER 48 2HB SER 48 3.590 -4.327 6.036 333 HG SER 48 HG SER 48 2.132 -4.624 7.511 334 H GLY 49 H GLY 49 6.088 -3.820 5.081 335 1HA GLY 49 1HA GLY 49 5.959 -6.336 3.821 336 2HA GLY 49 2HA GLY 49 6.876 -4.952 3.246 337 H LEU 50 H LEU 50 8.679 -4.636 5.338 338 HA LEU 50 HA LEU 50 10.740 -6.332 4.641 339 1HB LEU 50 1HB LEU 50 11.516 -4.501 5.742 340 2HB LEU 50 2HB LEU 50 10.201 -4.515 6.916 341 HG LEU 50 HG LEU 50 11.297 -6.320 8.138 342 1HD1 LEU 50 1HD1 LEU 50 12.665 -6.731 5.736 343 2HD1 LEU 50 2HD1 LEU 50 12.884 -7.594 7.258 344 3HD1 LEU 50 3HD1 LEU 50 13.883 -6.188 6.891 345 1HD2 LEU 50 1HD2 LEU 50 12.440 -3.675 7.716 346 2HD2 LEU 50 2HD2 LEU 50 13.610 -4.842 8.332 347 3HD2 LEU 50 3HD2 LEU 50 12.113 -4.544 9.216 348 H GLN 51 H GLN 51 8.709 -6.538 7.564 349 HA GLN 51 HA GLN 51 9.818 -8.959 8.491 350 1HB GLN 51 1HB GLN 51 7.057 -7.854 9.031 351 2HB GLN 51 2HB GLN 51 7.904 -9.059 9.993 352 1HG GLN 51 1HG GLN 51 9.421 -6.600 9.646 353 2HG GLN 51 2HG GLN 51 7.872 -6.360 10.453 354 1HE2 GLN 51 2HE2 GLN 51 10.855 -8.228 10.542 355 2HE2 GLN 51 1HE2 GLN 51 10.839 -8.516 12.245 356 H GLN 52 H GLN 52 7.424 -8.248 6.099 357 HA GLN 52 HA GLN 52 6.194 -10.826 6.068 358 1HB GLN 52 1HB GLN 52 5.859 -8.310 4.720 359 2HB GLN 52 2HB GLN 52 5.881 -9.612 3.538 360 1HG GLN 52 1HG GLN 52 4.028 -9.283 5.879 361 2HG GLN 52 2HG GLN 52 3.625 -9.249 4.163 362 1HE2 GLN 52 2HE2 GLN 52 4.337 -11.321 2.990 363 2HE2 GLN 52 1HE2 GLN 52 3.930 -12.801 3.783 364 H LEU 53 H LEU 53 8.999 -9.413 4.586 365 HA LEU 53 HA LEU 53 9.309 -11.390 2.544 366 1HB LEU 53 1HB LEU 53 10.853 -9.102 3.584 367 2HB LEU 53 2HB LEU 53 11.794 -10.386 2.827 368 HG LEU 53 HG LEU 53 11.448 -8.959 1.059 369 1HD1 LEU 53 1HD1 LEU 53 10.486 -11.301 0.700 370 2HD1 LEU 53 2HD1 LEU 53 10.040 -10.045 -0.455 371 3HD1 LEU 53 3HD1 LEU 53 8.904 -10.527 0.805 372 1HD2 LEU 53 1HD2 LEU 53 10.072 -7.325 2.132 373 2HD2 LEU 53 2HD2 LEU 53 8.702 -8.434 2.184 374 3HD2 LEU 53 3HD2 LEU 53 9.273 -7.810 0.636 375 H LEU 54 H LEU 54 11.011 -10.774 5.615 376 HA LEU 54 HA LEU 54 12.391 -13.302 5.470 377 1HB LEU 54 1HB LEU 54 13.729 -12.472 7.060 378 2HB LEU 54 2HB LEU 54 12.960 -10.938 6.656 379 HG LEU 54 HG LEU 54 12.340 -12.744 8.987 380 1HD1 LEU 54 1HD1 LEU 54 13.283 -9.884 8.867 381 2HD1 LEU 54 2HD1 LEU 54 14.310 -11.279 9.198 382 3HD1 LEU 54 3HD1 LEU 54 13.019 -10.849 10.320 383 1HD2 LEU 54 1HD2 LEU 54 10.243 -11.999 8.840 384 2HD2 LEU 54 2HD2 LEU 54 10.663 -10.807 7.609 385 3HD2 LEU 54 3HD2 LEU 54 10.888 -10.428 9.317 386 H ASP 55 H ASP 55 9.305 -12.478 6.248 387 HA ASP 55 HA ASP 55 8.617 -13.679 8.603 388 1HB ASP 55 1HB ASP 55 6.862 -12.648 7.450 389 2HB ASP 55 2HB ASP 55 7.199 -13.526 5.960 390 H GLY 56 H GLY 56 9.107 -15.603 9.413 391 1HA GLY 56 1HA GLY 56 8.380 -18.044 8.806 392 2HA GLY 56 2HA GLY 56 9.626 -17.835 7.584 393 H SER 57 H SER 57 10.900 -16.041 9.842 394 HA SER 57 HA SER 57 12.161 -18.299 11.258 395 1HB SER 57 1HB SER 57 14.197 -16.729 11.356 396 2HB SER 57 2HB SER 57 13.831 -17.482 9.804 397 HG SER 57 HG SER 57 13.003 -14.877 10.573 398 H GLY 58 H GLY 58 11.250 -14.882 11.439 399 1HA GLY 58 1HA GLY 58 10.309 -13.792 13.277 400 2HA GLY 58 2HA GLY 58 10.668 -15.200 14.266 401 H LEU 59 H LEU 59 11.728 -12.103 13.222 402 HA LEU 59 HA LEU 59 13.935 -12.240 15.140 403 1HB LEU 59 1HB LEU 59 14.130 -11.395 12.265 404 2HB LEU 59 2HB LEU 59 15.282 -10.842 13.479 405 HG LEU 59 HG LEU 59 15.313 -13.571 13.812 406 1HD1 LEU 59 1HD1 LEU 59 13.973 -13.374 11.504 407 2HD1 LEU 59 2HD1 LEU 59 15.087 -14.691 11.864 408 3HD1 LEU 59 3HD1 LEU 59 15.624 -13.326 10.886 409 1HD2 LEU 59 1HD2 LEU 59 17.381 -12.658 13.865 410 2HD2 LEU 59 2HD2 LEU 59 17.037 -11.527 12.556 411 3HD2 LEU 59 3HD2 LEU 59 17.417 -13.210 12.191 412 H GLN 60 H GLN 60 14.896 -9.921 15.386 413 HA GLN 60 HA GLN 60 12.614 -8.080 15.630 414 1HB GLN 60 1HB GLN 60 13.622 -7.142 17.538 415 2HB GLN 60 2HB GLN 60 13.862 -8.876 17.713 416 1HG GLN 60 1HG GLN 60 16.116 -8.078 16.364 417 2HG GLN 60 2HG GLN 60 15.809 -6.733 17.462 418 1HE2 GLN 60 2HE2 GLN 60 16.487 -10.146 17.227 419 2HE2 GLN 60 1HE2 GLN 60 17.001 -10.358 18.863 420 H VAL 61 H VAL 61 12.810 -5.937 15.001 421 HA VAL 61 HA VAL 61 15.229 -5.258 13.461 422 HB VAL 61 HB VAL 61 12.493 -4.300 12.665 423 1HG1 VAL 61 1HG1 VAL 61 14.472 -4.711 10.590 424 2HG1 VAL 61 2HG1 VAL 61 13.557 -3.260 11.006 425 3HG1 VAL 61 3HG1 VAL 61 15.059 -3.632 11.855 426 1HG2 VAL 61 1HG2 VAL 61 13.645 -6.966 12.320 427 2HG2 VAL 61 2HG2 VAL 61 11.976 -6.421 12.153 428 3HG2 VAL 61 3HG2 VAL 61 13.109 -6.216 10.817 429 H LYS 62 H LYS 62 16.214 -3.536 14.261 430 HA LYS 62 HA LYS 62 14.590 -1.366 15.400 431 1HB LYS 62 1HB LYS 62 16.504 -1.073 17.082 432 2HB LYS 62 2HB LYS 62 15.382 -2.400 17.352 433 1HG LYS 62 1HG LYS 62 17.661 -3.170 15.718 434 2HG LYS 62 2HG LYS 62 18.122 -2.575 17.315 435 1HD LYS 62 1HD LYS 62 16.060 -4.178 17.983 436 2HD LYS 62 2HD LYS 62 16.652 -5.017 16.547 437 1HE LYS 62 1HE LYS 62 17.882 -5.998 18.245 438 2HE LYS 62 2HE LYS 62 18.979 -4.752 17.652 439 1HZ LYS 62 1HZ LYS 62 18.266 -5.095 20.232 440 2HZ LYS 62 2HZ LYS 62 17.225 -3.852 19.749 441 3HZ LYS 62 3HZ LYS 62 18.898 -3.665 19.584 442 HA PRO 63 HA PRO 63 16.999 1.182 12.731 443 1HB PRO 63 1HB PRO 63 16.548 3.575 13.933 444 2HB PRO 63 2HB PRO 63 15.326 2.740 12.965 445 1HG PRO 63 1HG PRO 63 15.647 2.832 15.940 446 2HG PRO 63 2HG PRO 63 14.169 2.967 14.969 447 1HD PRO 63 1HD PRO 63 14.893 0.672 16.210 448 2HD PRO 63 2HD PRO 63 14.006 0.687 14.672 449 H LEU 64 H LEU 64 18.864 2.584 12.727 450 HA LEU 64 HA LEU 64 20.444 2.484 15.209 451 1HB LEU 64 1HB LEU 64 21.766 2.312 12.541 452 2HB LEU 64 2HB LEU 64 22.344 1.767 14.114 453 HG LEU 64 HG LEU 64 20.129 0.418 12.577 454 1HD1 LEU 64 1HD1 LEU 64 22.269 0.337 11.353 455 2HD1 LEU 64 2HD1 LEU 64 21.748 -1.247 11.926 456 3HD1 LEU 64 3HD1 LEU 64 23.029 -0.380 12.774 457 1HD2 LEU 64 1HD2 LEU 64 19.806 -0.395 14.659 458 2HD2 LEU 64 2HD2 LEU 64 21.440 0.005 15.189 459 3HD2 LEU 64 3HD2 LEU 64 21.156 -1.441 14.219 460 H GLY 65 H GLY 65 20.507 3.947 11.948 461 1HA GLY 65 1HA GLY 65 20.917 6.562 13.238 462 2HA GLY 65 2HA GLY 65 22.001 6.043 11.957 463 H ASN 66 H ASN 66 21.513 6.662 9.960 464 HA ASN 66 HA ASN 66 19.183 8.194 9.429 465 1HB ASN 66 1HB ASN 66 21.598 8.130 8.291 466 2HB ASN 66 2HB ASN 66 20.761 7.056 7.174 467 1HD2 ASN 66 2HD2 ASN 66 18.483 7.973 6.592 468 2HD2 ASN 66 1HD2 ASN 66 18.486 9.625 6.085 469 H ASN 67 H ASN 67 17.437 6.808 9.927 470 HA ASN 67 HA ASN 67 15.882 5.164 9.582 471 1HB ASN 67 1HB ASN 67 16.002 6.820 7.420 472 2HB ASN 67 2HB ASN 67 16.221 5.249 6.654 473 1HD2 ASN 67 2HD2 ASN 67 14.647 3.544 7.637 474 2HD2 ASN 67 1HD2 ASN 67 12.997 4.052 7.712 475 H SER 68 H SER 68 18.617 4.216 9.858 476 HA SER 68 HA SER 68 18.710 1.919 8.048 477 1HB SER 68 1HB SER 68 20.773 3.278 8.430 478 2HB SER 68 2HB SER 68 20.743 2.775 10.121 479 HG SER 68 HG SER 68 22.071 1.359 9.078 480 H TRP 69 H TRP 69 17.717 0.125 8.659 481 HA TRP 69 HA TRP 69 17.382 -0.415 11.526 482 1HB TRP 69 1HB TRP 69 15.952 -1.654 9.164 483 2HB TRP 69 2HB TRP 69 15.593 -1.947 10.864 484 HD1 TRP 69 HD1 TRP 69 15.851 1.252 8.656 485 HE1 TRP 69 HE1 TRP 69 13.845 2.759 9.228 486 HE3 TRP 69 HE3 TRP 69 13.629 -1.670 12.214 487 HZ2 TRP 69 HZ2 TRP 69 11.616 2.716 10.959 488 HZ3 TRP 69 HZ3 TRP 69 11.563 -0.864 13.280 489 HH2 TRP 69 HH2 TRP 69 10.579 1.284 12.664 490 H THR 70 H THR 70 17.744 -2.545 12.341 491 HA THR 70 HA THR 70 19.538 -4.195 10.688 492 HB THR 70 HB THR 70 20.842 -2.903 12.362 493 HG1 THR 70 HG1 THR 70 21.857 -4.760 11.909 494 1HG2 THR 70 1HG2 THR 70 19.215 -2.716 14.139 495 2HG2 THR 70 2HG2 THR 70 20.637 -3.565 14.747 496 3HG2 THR 70 3HG2 THR 70 19.178 -4.467 14.337 497 H LEU 71 H LEU 71 19.329 -6.395 10.882 498 HA LEU 71 HA LEU 71 16.993 -7.313 12.405 499 1HB LEU 71 1HB LEU 71 18.155 -7.986 9.818 500 2HB LEU 71 2HB LEU 71 17.775 -9.404 10.793 501 HG LEU 71 HG LEU 71 15.945 -8.885 9.291 502 1HD1 LEU 71 1HD1 LEU 71 14.143 -8.824 10.893 503 2HD1 LEU 71 2HD1 LEU 71 15.221 -8.177 12.130 504 3HD1 LEU 71 3HD1 LEU 71 15.459 -9.816 11.523 505 1HD2 LEU 71 1HD2 LEU 71 16.009 -6.187 10.628 506 2HD2 LEU 71 2HD2 LEU 71 14.648 -6.770 9.669 507 3HD2 LEU 71 3HD2 LEU 71 16.229 -6.553 8.916 508 H GLU 72 H GLU 72 17.268 -8.513 14.162 509 HA GLU 72 HA GLU 72 19.743 -10.074 14.443 510 1HB GLU 72 1HB GLU 72 18.590 -8.056 16.318 511 2HB GLU 72 2HB GLU 72 19.400 -9.463 16.993 512 1HG GLU 72 1HG GLU 72 20.806 -7.946 14.870 513 2HG GLU 72 2HG GLU 72 20.683 -7.215 16.469 514 HA PRO 73 HA PRO 73 17.229 -13.443 15.696 515 1HB PRO 73 1HB PRO 73 18.755 -14.622 17.607 516 2HB PRO 73 2HB PRO 73 19.155 -14.681 15.887 517 1HG PRO 73 1HG PRO 73 20.248 -12.895 18.026 518 2HG PRO 73 2HG PRO 73 21.109 -13.740 16.726 519 1HD PRO 73 1HD PRO 73 20.479 -11.110 16.588 520 2HD PRO 73 2HD PRO 73 20.547 -12.152 15.152 521 H ALA 74 H ALA 74 15.408 -13.335 16.836 522 HA ALA 74 HA ALA 74 15.512 -12.241 19.570 523 1HB ALA 74 1HB ALA 74 14.007 -11.346 17.472 524 2HB ALA 74 2HB ALA 74 12.873 -12.394 18.325 525 3HB ALA 74 3HB ALA 74 13.652 -11.061 19.176 526 HA PRO 75 HA PRO 75 14.067 -16.009 21.291 527 1HB PRO 75 1HB PRO 75 12.330 -15.155 23.194 528 2HB PRO 75 2HB PRO 75 14.081 -14.969 23.340 529 1HG PRO 75 1HG PRO 75 12.029 -12.966 22.483 530 2HG PRO 75 2HG PRO 75 13.418 -12.751 23.563 531 1HD PRO 75 1HD PRO 75 13.454 -11.970 20.971 532 2HD PRO 75 2HD PRO 75 14.906 -12.546 21.815 533 H ALA 76 H ALA 76 12.143 -17.351 21.715 534 HA ALA 76 HA ALA 76 10.424 -17.517 19.562 535 1HB ALA 76 1HB ALA 76 10.179 -19.473 20.597 536 2HB ALA 76 2HB ALA 76 10.674 -18.799 22.150 537 3HB ALA 76 3HB ALA 76 8.994 -18.673 21.629 538 HA PRO 77 HA PRO 77 7.183 -14.612 20.113 539 1HB PRO 77 1HB PRO 77 4.996 -16.023 19.342 540 2HB PRO 77 2HB PRO 77 6.226 -15.460 18.204 541 1HG PRO 77 1HG PRO 77 5.876 -18.170 19.428 542 2HG PRO 77 2HG PRO 77 6.270 -17.741 17.753 543 1HD PRO 77 1HD PRO 77 8.146 -18.552 19.529 544 2HD PRO 77 2HD PRO 77 8.496 -17.389 18.234 545 H LYS 78 H LYS 78 5.110 -14.183 21.225 546 HA LYS 78 HA LYS 78 4.660 -15.955 23.531 547 1HB LYS 78 1HB LYS 78 4.324 -13.937 24.938 548 2HB LYS 78 2HB LYS 78 5.971 -14.094 24.340 549 1HG LYS 78 1HG LYS 78 5.671 -11.902 23.894 550 2HG LYS 78 2HG LYS 78 4.980 -12.552 22.405 551 1HD LYS 78 1HD LYS 78 2.988 -12.465 24.479 552 2HD LYS 78 2HD LYS 78 3.736 -10.878 24.280 553 1HE LYS 78 1HE LYS 78 3.023 -10.670 22.097 554 2HE LYS 78 2HE LYS 78 2.889 -12.413 21.864 555 1HZ LYS 78 1HZ LYS 78 0.706 -11.893 22.054 556 2HZ LYS 78 2HZ LYS 78 0.977 -10.543 23.036 557 3HZ LYS 78 3HZ LYS 78 1.041 -12.098 23.700 558 H GLU 79 H GLU 79 3.279 -15.374 20.889 559 HA GLU 79 HA GLU 79 0.836 -14.048 21.513 560 1HB GLU 79 1HB GLU 79 1.993 -14.595 19.197 561 2HB GLU 79 2HB GLU 79 1.004 -16.044 19.300 562 1HG GLU 79 1HG GLU 79 -0.989 -14.834 19.236 563 2HG GLU 79 2HG GLU 79 -0.187 -13.319 19.645 564 H ASP 80 H ASP 80 -1.304 -15.254 21.125 565 HA ASP 80 HA ASP 80 -1.518 -17.997 21.760 566 1HB ASP 80 1HB ASP 80 -0.799 -17.385 23.975 567 2HB ASP 80 2HB ASP 80 -1.952 -16.055 24.035 568 H ALA 81 H ALA 81 -3.381 -18.623 20.903 569 HA ALA 81 HA ALA 81 -5.519 -18.621 20.122 570 1HB ALA 81 1HB ALA 81 -5.783 -17.772 22.614 571 2HB ALA 81 2HB ALA 81 -6.303 -16.298 21.797 572 3HB ALA 81 3HB ALA 81 -7.148 -17.817 21.498 573 H LEU 82 H LEU 82 -3.451 -16.915 18.918 574 HA LEU 82 HA LEU 82 -5.249 -15.128 17.440 575 1HB LEU 82 1HB LEU 82 -3.652 -14.039 19.223 576 2HB LEU 82 2HB LEU 82 -2.445 -14.260 17.958 577 HG LEU 82 HG LEU 82 -5.016 -12.760 17.511 578 1HD1 LEU 82 1HD1 LEU 82 -2.348 -11.728 18.451 579 2HD1 LEU 82 2HD1 LEU 82 -3.902 -11.596 19.273 580 3HD1 LEU 82 3HD1 LEU 82 -3.621 -10.712 17.774 581 1HD2 LEU 82 1HD2 LEU 82 -2.927 -11.810 15.914 582 2HD2 LEU 82 2HD2 LEU 82 -4.307 -12.785 15.406 583 3HD2 LEU 82 3HD2 LEU 82 -2.796 -13.569 15.869 584 H THR 83 H THR 83 -5.269 -15.826 15.416 585 HA THR 83 HA THR 83 -2.792 -16.941 14.277 586 HB THR 83 HB THR 83 -4.668 -18.535 14.344 587 HG1 THR 83 HG1 THR 83 -3.456 -19.034 12.636 588 1HG2 THR 83 1HG2 THR 83 -6.132 -16.254 13.358 589 2HG2 THR 83 2HG2 THR 83 -6.739 -17.785 13.991 590 3HG2 THR 83 3HG2 THR 83 -6.333 -17.636 12.282 591 H VAL 84 H VAL 84 -2.636 -16.655 11.850 592 HA VAL 84 HA VAL 84 -3.516 -13.940 11.106 593 HB VAL 84 HB VAL 84 -1.450 -13.864 9.665 594 1HG1 VAL 84 1HG1 VAL 84 -0.176 -14.039 12.222 595 2HG1 VAL 84 2HG1 VAL 84 -0.637 -12.605 11.304 596 3HG1 VAL 84 3HG1 VAL 84 -1.789 -13.352 12.412 597 1HG2 VAL 84 1HG2 VAL 84 -0.624 -16.219 11.360 598 2HG2 VAL 84 2HG2 VAL 84 -1.019 -16.287 9.643 599 3HG2 VAL 84 3HG2 VAL 84 0.383 -15.367 10.189 600 H VAL 85 H VAL 85 -3.075 -13.725 8.556 601 HA VAL 85 HA VAL 85 -4.808 -15.739 7.360 602 HB VAL 85 HB VAL 85 -3.749 -13.201 6.114 603 1HG1 VAL 85 1HG1 VAL 85 -5.622 -15.329 5.254 604 2HG1 VAL 85 2HG1 VAL 85 -6.045 -13.665 4.846 605 3HG1 VAL 85 3HG1 VAL 85 -4.510 -14.344 4.304 606 1HG2 VAL 85 1HG2 VAL 85 -6.064 -13.720 7.908 607 2HG2 VAL 85 2HG2 VAL 85 -5.006 -12.313 7.808 608 3HG2 VAL 85 3HG2 VAL 85 -6.263 -12.558 6.596 609 H GLY 86 H GLY 86 -1.490 -14.792 7.390 610 1HA GLY 86 1HA GLY 86 0.314 -16.016 6.570 611 2HA GLY 86 2HA GLY 86 -0.813 -17.045 5.700 612 H ASP 87 H ASP 87 0.406 -16.972 3.803 613 HA ASP 87 HA ASP 87 -0.111 -14.644 2.165 614 1HB ASP 87 1HB ASP 87 2.214 -14.305 1.501 615 2HB ASP 87 2HB ASP 87 2.034 -14.071 3.237 616 H TRP 88 H TRP 88 0.363 -15.025 -0.111 617 HA TRP 88 HA TRP 88 0.383 -17.902 -0.756 618 1HB TRP 88 1HB TRP 88 -1.736 -16.392 -1.175 619 2HB TRP 88 2HB TRP 88 -0.834 -15.885 -2.601 620 HD1 TRP 88 HD1 TRP 88 -0.999 -17.412 -4.671 621 HE1 TRP 88 HE1 TRP 88 -1.987 -19.740 -5.145 622 HE3 TRP 88 HE3 TRP 88 -2.128 -18.805 0.117 623 HZ2 TRP 88 HZ2 TRP 88 -3.099 -21.884 -3.683 624 HZ3 TRP 88 HZ3 TRP 88 -3.152 -21.010 0.493 625 HH2 TRP 88 HH2 TRP 88 -3.628 -22.516 -1.369 626 H LEU 89 H LEU 89 1.035 -18.275 -3.125 627 HA LEU 89 HA LEU 89 2.766 -16.424 -4.396 628 1HB LEU 89 1HB LEU 89 4.292 -16.903 -2.630 629 2HB LEU 89 2HB LEU 89 4.013 -18.637 -2.782 630 HG LEU 89 HG LEU 89 5.063 -18.447 -5.092 631 1HD1 LEU 89 1HD1 LEU 89 5.082 -15.696 -4.336 632 2HD1 LEU 89 2HD1 LEU 89 5.584 -16.435 -5.857 633 3HD1 LEU 89 3HD1 LEU 89 6.743 -16.253 -4.541 634 1HD2 LEU 89 1HD2 LEU 89 6.217 -19.467 -3.222 635 2HD2 LEU 89 2HD2 LEU 89 6.727 -17.882 -2.640 636 3HD2 LEU 89 3HD2 LEU 89 7.344 -18.500 -4.173 637 H GLY 90 H GLY 90 3.336 -17.081 -6.454 638 1HA GLY 90 1HA GLY 90 3.007 -19.844 -7.256 639 2HA GLY 90 2HA GLY 90 1.786 -18.752 -7.892 640 H ASP 91 H ASP 91 5.033 -17.640 -7.347 641 HA ASP 91 HA ASP 91 5.932 -18.149 -10.030 642 1HB ASP 91 1HB ASP 91 4.482 -16.275 -10.515 643 2HB ASP 91 2HB ASP 91 5.189 -15.338 -9.202 644 H ALA 92 H ALA 92 8.062 -18.402 -9.956 645 HA ALA 92 HA ALA 92 9.637 -16.810 -8.064 646 1HB ALA 92 1HB ALA 92 10.946 -18.882 -7.492 647 2HB ALA 92 2HB ALA 92 9.307 -18.817 -6.843 648 3HB ALA 92 3HB ALA 92 9.658 -19.813 -8.255 649 H ARG 93 H ARG 93 12.085 -17.363 -8.466 650 HA ARG 93 HA ARG 93 12.604 -17.814 -11.310 651 1HB ARG 93 1HB ARG 93 13.685 -15.419 -9.817 652 2HB ARG 93 2HB ARG 93 13.966 -15.820 -11.506 653 1HG ARG 93 1HG ARG 93 11.338 -15.694 -11.622 654 2HG ARG 93 2HG ARG 93 11.560 -14.670 -10.202 655 1HD ARG 93 1HD ARG 93 12.979 -14.266 -12.830 656 2HD ARG 93 2HD ARG 93 11.500 -13.427 -12.362 657 HE ARG 93 HE ARG 93 13.348 -13.016 -10.332 658 1HH1 ARG 93 2HH1 ARG 93 13.000 -12.263 -13.713 659 2HH1 ARG 93 1HH1 ARG 93 13.929 -10.803 -13.617 660 1HH2 ARG 93 2HH2 ARG 93 14.573 -11.097 -10.193 661 2HH2 ARG 93 1HH2 ARG 93 14.823 -10.141 -11.615 662 H GLU 94 H GLU 94 14.330 -19.067 -11.623 663 HA GLU 94 HA GLU 94 15.908 -19.881 -9.340 664 1HB GLU 94 1HB GLU 94 16.001 -20.759 -12.232 665 2HB GLU 94 2HB GLU 94 16.928 -21.488 -10.928 666 1HG GLU 94 1HG GLU 94 13.947 -21.498 -11.296 667 2HG GLU 94 2HG GLU 94 15.050 -22.873 -11.331 668 H ASN 95 H ASN 95 17.372 -18.380 -8.739 669 HA ASN 95 HA ASN 95 19.262 -17.447 -10.799 670 1HB ASN 95 1HB ASN 95 18.261 -16.000 -8.341 671 2HB ASN 95 2HB ASN 95 19.604 -15.438 -9.331 672 1HD2 ASN 95 2HD2 ASN 95 19.080 -15.238 -11.701 673 2HD2 ASN 95 1HD2 ASN 95 17.544 -14.554 -12.100 674 H ASP 96 H ASP 96 20.496 -19.379 -10.327 675 HA ASP 96 HA ASP 96 21.952 -19.229 -7.769 676 1HB ASP 96 1HB ASP 96 22.448 -21.618 -8.060 677 2HB ASP 96 2HB ASP 96 20.711 -21.323 -8.046 678 H LEU 97 H LEU 97 24.203 -19.438 -7.769 679 HA LEU 97 HA LEU 97 25.568 -19.464 -10.352 680 1HB LEU 97 1HB LEU 97 26.704 -17.459 -10.050 681 2HB LEU 97 2HB LEU 97 25.048 -17.087 -9.574 682 HG LEU 97 HG LEU 97 27.284 -17.680 -7.638 683 1HD1 LEU 97 1HD1 LEU 97 27.331 -15.291 -7.203 684 2HD1 LEU 97 2HD1 LEU 97 26.115 -15.023 -8.452 685 3HD1 LEU 97 3HD1 LEU 97 27.715 -15.621 -8.893 686 1HD2 LEU 97 1HD2 LEU 97 25.580 -16.453 -6.124 687 2HD2 LEU 97 2HD2 LEU 97 25.317 -18.153 -6.510 688 3HD2 LEU 97 3HD2 LEU 97 24.407 -16.904 -7.362 689 H GLU 98 H GLU 98 27.985 -19.579 -10.050 690 HA GLU 98 HA GLU 98 28.596 -21.198 -7.665 691 1HB GLU 98 1HB GLU 98 29.868 -21.353 -10.403 692 2HB GLU 98 2HB GLU 98 30.261 -22.370 -9.024 693 1HG GLU 98 1HG GLU 98 28.115 -23.405 -9.082 694 2HG GLU 98 2HG GLU 98 27.538 -22.262 -10.293 695 H HIS 99 H HIS 99 29.961 -18.892 -9.990 696 HA HIS 99 HA HIS 99 31.642 -17.367 -9.827 697 1HB HIS 99 1HB HIS 99 30.112 -16.691 -7.884 698 2HB HIS 99 2HB HIS 99 31.283 -17.486 -6.836 699 HD1 HIS 99 HD1 HIS 99 32.997 -15.964 -5.932 700 HD2 HIS 99 HD2 HIS 99 31.522 -14.624 -9.577 701 HE1 HIS 99 HE1 HIS 99 34.148 -13.769 -6.357 702 H HIS 100 H HIS 100 32.375 -20.120 -9.869 703 HA HIS 100 HA HIS 100 34.639 -20.323 -8.036 704 1HB HIS 100 1HB HIS 100 32.971 -22.238 -8.652 705 2HB HIS 100 2HB HIS 100 33.958 -22.389 -10.103 706 HD1 HIS 100 HD1 HIS 100 34.916 -24.669 -9.471 707 HD2 HIS 100 HD2 HIS 100 35.633 -21.725 -6.628 708 HE1 HIS 100 HE1 HIS 100 36.597 -25.661 -7.885 709 H HIS 101 H HIS 101 35.215 -18.284 -9.557 710 HA HIS 101 HA HIS 101 36.312 -18.715 -12.089 711 1HB HIS 101 1HB HIS 101 37.045 -16.691 -9.967 712 2HB HIS 101 2HB HIS 101 37.646 -16.642 -11.622 713 HD1 HIS 101 HD1 HIS 101 36.116 -15.682 -13.392 714 HD2 HIS 101 HD2 HIS 101 34.248 -16.152 -9.710 715 HE1 HIS 101 HE1 HIS 101 33.907 -14.497 -13.602 716 H HIS 102 H HIS 102 38.666 -18.544 -12.637 717 HA HIS 102 HA HIS 102 40.096 -20.624 -11.246 718 1HB HIS 102 1HB HIS 102 40.474 -19.081 -13.768 719 2HB HIS 102 2HB HIS 102 41.895 -19.826 -13.041 720 HD1 HIS 102 HD1 HIS 102 41.635 -22.506 -12.612 721 HD2 HIS 102 HD2 HIS 102 38.997 -20.762 -15.306 722 HE1 HIS 102 HE1 HIS 102 40.701 -24.408 -13.966 723 H HIS 103 H HIS 103 42.060 -20.438 -10.171 724 HA HIS 103 HA HIS 103 42.440 -18.011 -8.722 725 1HB HIS 103 1HB HIS 103 44.200 -19.169 -7.565 726 2HB HIS 103 2HB HIS 103 42.873 -20.303 -7.805 727 HD1 HIS 103 HD1 HIS 103 46.444 -19.882 -8.383 728 HD2 HIS 103 HD2 HIS 103 43.378 -22.180 -9.988 729 HE1 HIS 103 HE1 HIS 103 47.583 -21.734 -9.646 730 H HIS 104 H HIS 104 44.619 -16.967 -8.535 731 HA HIS 104 HA HIS 104 45.506 -16.195 -11.170 732 1HB HIS 104 1HB HIS 104 45.187 -14.573 -9.277 733 2HB HIS 104 2HB HIS 104 46.590 -15.294 -8.495 734 HD1 HIS 104 HD1 HIS 104 47.918 -13.087 -8.638 735 HD2 HIS 104 HD2 HIS 104 46.747 -14.599 -12.326 736 HE1 HIS 104 HE1 HIS 104 49.225 -11.782 -10.345 Start of MODEL 13 1 1H ALA 1 H ALA 1 0.403 0.949 -1.040 2 HA ALA 1 HA ALA 1 2.956 0.706 -2.085 3 1HB ALA 1 1HB ALA 1 2.174 -0.757 0.407 4 2HB ALA 1 2HB ALA 1 3.661 0.120 0.047 5 3HB ALA 1 3HB ALA 1 2.169 1.006 0.357 6 H GLN 2 H GLN 2 0.997 -0.998 -3.487 7 HA GLN 2 HA GLN 2 1.337 -3.711 -2.972 8 1HB GLN 2 1HB GLN 2 -0.338 -2.952 -4.530 9 2HB GLN 2 2HB GLN 2 0.890 -2.270 -5.589 10 1HG GLN 2 1HG GLN 2 0.136 -4.300 -6.560 11 2HG GLN 2 2HG GLN 2 1.765 -4.572 -5.944 12 1HE2 GLN 2 2HE2 GLN 2 1.791 -6.657 -5.427 13 2HE2 GLN 2 1HE2 GLN 2 0.670 -7.441 -4.372 14 H VAL 3 H VAL 3 3.078 -4.955 -2.997 15 HA VAL 3 HA VAL 3 5.207 -4.401 -4.941 16 HB VAL 3 HB VAL 3 5.675 -4.951 -2.007 17 1HG1 VAL 3 1HG1 VAL 3 7.558 -4.750 -4.343 18 2HG1 VAL 3 2HG1 VAL 3 8.086 -4.549 -2.671 19 3HG1 VAL 3 3HG1 VAL 3 7.377 -6.076 -3.196 20 1HG2 VAL 3 1HG2 VAL 3 5.283 -2.525 -3.431 21 2HG2 VAL 3 2HG2 VAL 3 5.693 -2.748 -1.730 22 3HG2 VAL 3 3HG2 VAL 3 6.973 -2.605 -2.935 23 H ASN 4 H ASN 4 5.630 -6.160 -6.089 24 HA ASN 4 HA ASN 4 5.133 -8.793 -4.862 25 1HB ASN 4 1HB ASN 4 4.920 -9.467 -7.395 26 2HB ASN 4 2HB ASN 4 3.554 -8.744 -6.551 27 1HD2 ASN 4 2HD2 ASN 4 3.100 -6.521 -6.900 28 2HD2 ASN 4 1HD2 ASN 4 3.604 -5.740 -8.356 29 H ILE 5 H ILE 5 7.023 -9.678 -4.341 30 HA ILE 5 HA ILE 5 9.233 -9.484 -6.284 31 HB ILE 5 HB ILE 5 9.466 -9.713 -3.281 32 1HG1 ILE 5 1HG1 ILE 5 10.415 -7.400 -4.947 33 2HG1 ILE 5 2HG1 ILE 5 8.747 -7.471 -4.388 34 1HG2 ILE 5 1HG2 ILE 5 11.277 -10.877 -4.313 35 2HG2 ILE 5 2HG2 ILE 5 11.547 -9.558 -5.452 36 3HG2 ILE 5 3HG2 ILE 5 11.892 -9.328 -3.738 37 1HD1 ILE 5 1HD1 ILE 5 11.088 -7.691 -2.525 38 2HD1 ILE 5 2HD1 ILE 5 10.353 -6.150 -2.969 39 3HD1 ILE 5 3HD1 ILE 5 9.400 -7.373 -2.130 40 H ALA 6 H ALA 6 10.222 -11.332 -6.901 41 HA ALA 6 HA ALA 6 8.986 -13.833 -6.089 42 1HB ALA 6 1HB ALA 6 10.415 -14.797 -7.908 43 2HB ALA 6 2HB ALA 6 9.275 -13.558 -8.436 44 3HB ALA 6 3HB ALA 6 10.982 -13.160 -8.241 45 HA PRO 7 HA PRO 7 12.169 -14.818 -3.180 46 1HB PRO 7 1HB PRO 7 11.570 -17.449 -2.883 47 2HB PRO 7 2HB PRO 7 10.601 -16.156 -2.165 48 1HG PRO 7 1HG PRO 7 10.117 -17.715 -4.674 49 2HG PRO 7 2HG PRO 7 8.966 -17.244 -3.410 50 1HD PRO 7 1HD PRO 7 9.177 -15.912 -5.758 51 2HD PRO 7 2HD PRO 7 8.739 -15.105 -4.239 52 H GLY 8 H GLY 8 13.465 -17.203 -2.966 53 1HA GLY 8 1HA GLY 8 14.773 -18.780 -4.209 54 2HA GLY 8 2HA GLY 8 14.655 -17.720 -5.607 55 H SER 9 H SER 9 15.254 -15.973 -2.796 56 HA SER 9 HA SER 9 17.989 -16.281 -2.384 57 1HB SER 9 1HB SER 9 17.281 -14.690 -4.765 58 2HB SER 9 2HB SER 9 18.435 -13.924 -3.675 59 HG SER 9 HG SER 9 19.894 -15.354 -4.209 60 H LEU 10 H LEU 10 17.882 -15.649 -0.328 61 HA LEU 10 HA LEU 10 16.132 -13.772 0.752 62 1HB LEU 10 1HB LEU 10 17.555 -15.537 1.929 63 2HB LEU 10 2HB LEU 10 18.853 -14.346 1.887 64 HG LEU 10 HG LEU 10 16.194 -13.776 3.171 65 1HD1 LEU 10 1HD1 LEU 10 18.498 -15.341 4.188 66 2HD1 LEU 10 2HD1 LEU 10 16.778 -15.488 4.547 67 3HD1 LEU 10 3HD1 LEU 10 17.727 -14.201 5.290 68 1HD2 LEU 10 1HD2 LEU 10 18.633 -12.315 2.709 69 2HD2 LEU 10 2HD2 LEU 10 18.297 -12.444 4.436 70 3HD2 LEU 10 3HD2 LEU 10 17.090 -11.751 3.351 71 H ASP 11 H ASP 11 19.557 -13.378 -0.133 72 HA ASP 11 HA ASP 11 19.843 -10.705 0.578 73 1HB ASP 11 1HB ASP 11 21.844 -11.773 0.054 74 2HB ASP 11 2HB ASP 11 21.202 -12.463 -1.435 75 H LYS 12 H LYS 12 18.624 -12.141 -2.407 76 HA LYS 12 HA LYS 12 18.391 -9.697 -3.836 77 1HB LYS 12 1HB LYS 12 17.174 -12.428 -4.196 78 2HB LYS 12 2HB LYS 12 16.771 -11.088 -5.261 79 1HG LYS 12 1HG LYS 12 19.533 -11.072 -5.206 80 2HG LYS 12 2HG LYS 12 19.116 -12.788 -5.217 81 1HD LYS 12 1HD LYS 12 19.258 -12.192 -7.483 82 2HD LYS 12 2HD LYS 12 17.527 -12.210 -7.133 83 1HE LYS 12 1HE LYS 12 17.457 -9.832 -6.992 84 2HE LYS 12 2HE LYS 12 19.215 -9.717 -7.036 85 1HZ LYS 12 1HZ LYS 12 17.455 -9.654 -9.183 86 2HZ LYS 12 2HZ LYS 12 18.305 -11.111 -9.309 87 3HZ LYS 12 3HZ LYS 12 19.146 -9.645 -9.234 88 H ALA 13 H ALA 13 15.920 -11.756 -2.291 89 HA ALA 13 HA ALA 13 13.715 -10.148 -2.675 90 1HB ALA 13 1HB ALA 13 13.249 -12.242 -1.803 91 2HB ALA 13 2HB ALA 13 14.445 -12.086 -0.516 92 3HB ALA 13 3HB ALA 13 12.936 -11.177 -0.432 93 H LEU 14 H LEU 14 16.360 -9.727 -0.458 94 HA LEU 14 HA LEU 14 15.080 -7.859 1.269 95 1HB LEU 14 1HB LEU 14 16.903 -8.734 2.304 96 2HB LEU 14 2HB LEU 14 17.837 -8.834 0.813 97 HG LEU 14 HG LEU 14 18.265 -6.414 0.941 98 1HD1 LEU 14 1HD1 LEU 14 16.444 -5.510 2.085 99 2HD1 LEU 14 2HD1 LEU 14 17.779 -5.368 3.227 100 3HD1 LEU 14 3HD1 LEU 14 16.591 -6.657 3.417 101 1HD2 LEU 14 1HD2 LEU 14 19.277 -6.921 3.529 102 2HD2 LEU 14 2HD2 LEU 14 20.117 -7.045 1.983 103 3HD2 LEU 14 3HD2 LEU 14 19.288 -8.451 2.652 104 H ASN 15 H ASN 15 17.511 -7.429 -1.308 105 HA ASN 15 HA ASN 15 17.475 -4.627 -1.300 106 1HB ASN 15 1HB ASN 15 19.003 -4.814 -2.952 107 2HB ASN 15 2HB ASN 15 18.930 -6.540 -2.606 108 1HD2 ASN 15 2HD2 ASN 15 17.749 -7.893 -3.972 109 2HD2 ASN 15 1HD2 ASN 15 17.302 -7.406 -5.568 110 H GLN 16 H GLN 16 15.402 -6.972 -2.854 111 HA GLN 16 HA GLN 16 14.176 -5.331 -4.758 112 1HB GLN 16 1HB GLN 16 12.967 -7.635 -3.218 113 2HB GLN 16 2HB GLN 16 12.326 -6.949 -4.704 114 1HG GLN 16 1HG GLN 16 15.120 -7.797 -4.877 115 2HG GLN 16 2HG GLN 16 13.977 -9.100 -4.555 116 1HE2 GLN 16 2HE2 GLN 16 14.997 -9.603 -6.762 117 2HE2 GLN 16 1HE2 GLN 16 14.105 -9.058 -8.137 118 H TYR 17 H TYR 17 13.023 -6.172 -1.488 119 HA TYR 17 HA TYR 17 10.912 -4.249 -1.568 120 1HB TYR 17 1HB TYR 17 10.253 -5.113 0.451 121 2HB TYR 17 2HB TYR 17 11.235 -6.456 -0.124 122 HD1 TYR 17 HD1 TYR 17 13.264 -7.064 0.980 123 HD2 TYR 17 HD2 TYR 17 11.149 -3.569 2.169 124 HE1 TYR 17 HE1 TYR 17 14.659 -6.915 3.000 125 HE2 TYR 17 HE2 TYR 17 12.539 -3.409 4.192 126 HH TYR 17 HH TYR 17 15.291 -4.633 4.635 127 H ALA 18 H ALA 18 14.175 -4.324 -0.260 128 HA ALA 18 HA ALA 18 14.056 -2.004 1.311 129 1HB ALA 18 1HB ALA 18 15.882 -3.738 1.295 130 2HB ALA 18 2HB ALA 18 16.496 -2.963 -0.166 131 3HB ALA 18 3HB ALA 18 16.425 -2.060 1.348 132 H ALA 19 H ALA 19 14.508 -2.467 -2.129 133 HA ALA 19 HA ALA 19 15.311 0.247 -2.636 134 1HB ALA 19 1HB ALA 19 15.066 -0.373 -5.011 135 2HB ALA 19 2HB ALA 19 16.075 -1.506 -4.111 136 3HB ALA 19 3HB ALA 19 14.412 -1.934 -4.514 137 H HIS 20 H HIS 20 12.315 -1.524 -2.508 138 HA HIS 20 HA HIS 20 10.760 0.458 -3.882 139 1HB HIS 20 1HB HIS 20 9.176 -1.128 -3.874 140 2HB HIS 20 2HB HIS 20 10.362 -2.186 -3.116 141 HD1 HIS 20 HD1 HIS 20 7.561 0.179 -2.172 142 HD2 HIS 20 HD2 HIS 20 9.737 -2.981 -0.578 143 HE1 HIS 20 HE1 HIS 20 6.428 -0.389 -0.001 144 H SER 21 H SER 21 11.785 -0.093 -0.619 145 HA SER 21 HA SER 21 9.824 1.689 0.539 146 1HB SER 21 1HB SER 21 10.460 -0.059 1.989 147 2HB SER 21 2HB SER 21 12.175 0.159 1.639 148 HG SER 21 HG SER 21 12.142 2.068 2.809 149 H GLY 22 H GLY 22 13.397 1.714 0.529 150 1HA GLY 22 1HA GLY 22 14.523 3.687 -0.423 151 2HA GLY 22 2HA GLY 22 13.251 4.657 0.305 152 H PHE 23 H PHE 23 14.548 1.980 2.074 153 HA PHE 23 HA PHE 23 16.067 3.860 3.760 154 1HB PHE 23 1HB PHE 23 15.292 2.832 5.713 155 2HB PHE 23 2HB PHE 23 13.860 2.879 4.690 156 HD1 PHE 23 HD1 PHE 23 15.768 0.875 6.802 157 HD2 PHE 23 HD2 PHE 23 13.572 0.726 3.159 158 HE1 PHE 23 HE1 PHE 23 15.513 -1.558 7.059 159 HE2 PHE 23 HE2 PHE 23 13.313 -1.707 3.410 160 HZ PHE 23 HZ PHE 23 14.284 -2.853 5.363 161 H THR 24 H THR 24 17.666 2.643 5.208 162 HA THR 24 HA THR 24 19.112 0.720 3.517 163 HB THR 24 HB THR 24 20.240 2.308 5.826 164 HG1 THR 24 HG1 THR 24 20.971 3.763 4.273 165 1HG2 THR 24 1HG2 THR 24 21.766 0.627 5.472 166 2HG2 THR 24 2HG2 THR 24 22.343 1.819 4.307 167 3HG2 THR 24 3HG2 THR 24 21.353 0.464 3.766 168 H LEU 25 H LEU 25 20.048 -1.142 4.433 169 HA LEU 25 HA LEU 25 19.204 -1.848 7.149 170 1HB LEU 25 1HB LEU 25 17.532 -2.741 5.577 171 2HB LEU 25 2HB LEU 25 18.812 -3.616 4.738 172 HG LEU 25 HG LEU 25 19.052 -4.481 7.349 173 1HD1 LEU 25 1HD1 LEU 25 16.701 -3.267 7.488 174 2HD1 LEU 25 2HD1 LEU 25 17.023 -4.782 8.330 175 3HD1 LEU 25 3HD1 LEU 25 16.156 -4.794 6.795 176 1HD2 LEU 25 1HD2 LEU 25 19.122 -5.714 5.126 177 2HD2 LEU 25 2HD2 LEU 25 17.369 -5.851 5.270 178 3HD2 LEU 25 3HD2 LEU 25 18.415 -6.576 6.493 179 H SER 26 H SER 26 20.638 -3.086 8.263 180 HA SER 26 HA SER 26 23.019 -4.024 6.801 181 1HB SER 26 1HB SER 26 22.851 -2.086 8.916 182 2HB SER 26 2HB SER 26 23.764 -3.486 9.478 183 HG SER 26 HG SER 26 24.584 -1.544 7.881 184 H VAL 27 H VAL 27 22.706 -6.173 6.733 185 HA VAL 27 HA VAL 27 22.374 -7.562 9.306 186 HB VAL 27 HB VAL 27 20.229 -7.766 8.306 187 1HG1 VAL 27 1HG1 VAL 27 21.760 -8.278 5.785 188 2HG1 VAL 27 2HG1 VAL 27 20.095 -8.838 5.958 189 3HG1 VAL 27 3HG1 VAL 27 20.467 -7.118 6.089 190 1HG2 VAL 27 1HG2 VAL 27 21.614 -9.894 9.068 191 2HG2 VAL 27 2HG2 VAL 27 19.979 -10.030 8.420 192 3HG2 VAL 27 3HG2 VAL 27 21.369 -10.347 7.382 193 H ASP 28 H ASP 28 23.645 -9.323 9.611 194 HA ASP 28 HA ASP 28 25.988 -9.644 8.160 195 1HB ASP 28 1HB ASP 28 24.561 -11.634 9.936 196 2HB ASP 28 2HB ASP 28 26.218 -11.815 9.367 197 H ALA 29 H ALA 29 25.887 -9.987 6.006 198 HA ALA 29 HA ALA 29 24.016 -11.768 4.786 199 1HB ALA 29 1HB ALA 29 26.287 -11.203 3.111 200 2HB ALA 29 2HB ALA 29 24.608 -10.691 2.936 201 3HB ALA 29 3HB ALA 29 25.724 -9.737 3.913 202 H SER 30 H SER 30 27.000 -12.203 6.347 203 HA SER 30 HA SER 30 28.222 -14.259 4.969 204 1HB SER 30 1HB SER 30 28.016 -13.780 7.947 205 2HB SER 30 2HB SER 30 29.067 -15.003 7.233 206 HG SER 30 HG SER 30 29.196 -12.338 6.344 207 H LEU 31 H LEU 31 25.651 -14.489 7.408 208 HA LEU 31 HA LEU 31 25.425 -17.349 7.057 209 1HB LEU 31 1HB LEU 31 23.357 -15.760 8.485 210 2HB LEU 31 2HB LEU 31 24.027 -17.344 8.871 211 HG LEU 31 HG LEU 31 26.189 -15.766 9.293 212 1HD1 LEU 31 1HD1 LEU 31 24.502 -13.819 8.840 213 2HD1 LEU 31 2HD1 LEU 31 25.679 -13.699 10.147 214 3HD1 LEU 31 3HD1 LEU 31 24.008 -14.135 10.503 215 1HD2 LEU 31 1HD2 LEU 31 25.702 -17.287 10.942 216 2HD2 LEU 31 2HD2 LEU 31 24.011 -16.798 11.048 217 3HD2 LEU 31 3HD2 LEU 31 25.270 -15.779 11.747 218 H THR 32 H THR 32 23.650 -14.454 6.124 219 HA THR 32 HA THR 32 21.314 -15.603 5.156 220 HB THR 32 HB THR 32 22.796 -13.175 4.132 221 HG1 THR 32 HG1 THR 32 22.105 -12.657 6.117 222 1HG2 THR 32 1HG2 THR 32 20.685 -12.513 3.095 223 2HG2 THR 32 2HG2 THR 32 19.945 -14.029 3.610 224 3HG2 THR 32 3HG2 THR 32 21.255 -14.042 2.429 225 H ARG 33 H ARG 33 24.353 -14.956 3.423 226 HA ARG 33 HA ARG 33 23.544 -15.935 0.926 227 1HB ARG 33 1HB ARG 33 26.219 -15.591 2.244 228 2HB ARG 33 2HB ARG 33 26.095 -16.350 0.663 229 1HG ARG 33 1HG ARG 33 25.081 -13.598 1.344 230 2HG ARG 33 2HG ARG 33 26.607 -13.952 0.533 231 1HD ARG 33 1HD ARG 33 25.300 -15.111 -1.251 232 2HD ARG 33 2HD ARG 33 23.827 -14.537 -0.471 233 HE ARG 33 HE ARG 33 24.226 -12.441 -1.318 234 1HH1 ARG 33 2HH1 ARG 33 27.074 -14.409 -1.687 235 2HH1 ARG 33 1HH1 ARG 33 27.896 -13.261 -2.692 236 1HH2 ARG 33 2HH2 ARG 33 25.298 -10.922 -2.641 237 2HH2 ARG 33 1HH2 ARG 33 26.885 -11.278 -3.233 238 H GLY 34 H GLY 34 22.476 -17.877 1.003 239 1HA GLY 34 1HA GLY 34 23.703 -20.240 0.625 240 2HA GLY 34 2HA GLY 34 23.647 -20.145 2.379 241 H LYS 35 H LYS 35 21.070 -18.643 2.243 242 HA LYS 35 HA LYS 35 19.315 -20.890 1.498 243 1HB LYS 35 1HB LYS 35 17.947 -20.476 3.420 244 2HB LYS 35 2HB LYS 35 19.612 -20.609 3.970 245 1HG LYS 35 1HG LYS 35 18.494 -17.916 3.361 246 2HG LYS 35 2HG LYS 35 18.058 -18.718 4.872 247 1HD LYS 35 1HD LYS 35 20.923 -18.774 4.234 248 2HD LYS 35 2HD LYS 35 20.263 -17.162 4.518 249 1HE LYS 35 1HE LYS 35 20.484 -17.572 6.696 250 2HE LYS 35 2HE LYS 35 19.158 -18.722 6.529 251 1HZ LYS 35 1HZ LYS 35 21.769 -19.733 5.790 252 2HZ LYS 35 2HZ LYS 35 20.538 -20.465 6.690 253 3HZ LYS 35 3HZ LYS 35 21.586 -19.364 7.431 254 H GLN 36 H GLN 36 16.912 -20.029 1.514 255 HA GLN 36 HA GLN 36 16.894 -17.544 -0.069 256 1HB GLN 36 1HB GLN 36 14.851 -18.497 -1.169 257 2HB GLN 36 2HB GLN 36 16.336 -19.378 -1.498 258 1HG GLN 36 1HG GLN 36 14.570 -20.250 0.740 259 2HG GLN 36 2HG GLN 36 14.148 -20.657 -0.922 260 1HE2 GLN 36 2HE2 GLN 36 15.806 -21.637 1.772 261 2HE2 GLN 36 1HE2 GLN 36 16.844 -22.812 1.047 262 H SER 37 H SER 37 14.461 -16.718 -0.172 263 HA SER 37 HA SER 37 13.158 -16.912 2.426 264 1HB SER 37 1HB SER 37 14.616 -15.093 2.896 265 2HB SER 37 2HB SER 37 14.335 -14.363 1.315 266 HG SER 37 HG SER 37 12.233 -13.876 1.958 267 H ASN 38 H ASN 38 11.005 -16.054 2.444 268 HA ASN 38 HA ASN 38 9.660 -16.427 -0.058 269 1HB ASN 38 1HB ASN 38 8.793 -15.846 2.754 270 2HB ASN 38 2HB ASN 38 7.643 -15.669 1.432 271 1HD2 ASN 38 2HD2 ASN 38 7.187 -17.523 0.127 272 2HD2 ASN 38 1HD2 ASN 38 7.353 -19.110 0.790 273 H GLY 39 H GLY 39 9.274 -14.928 -1.543 274 1HA GLY 39 1HA GLY 39 10.020 -12.229 -1.250 275 2HA GLY 39 2HA GLY 39 9.050 -12.883 -2.561 276 H LEU 40 H LEU 40 8.141 -10.615 -2.233 277 HA LEU 40 HA LEU 40 6.090 -10.620 -0.125 278 1HB LEU 40 1HB LEU 40 7.688 -8.727 -0.155 279 2HB LEU 40 2HB LEU 40 7.107 -8.303 -1.765 280 HG LEU 40 HG LEU 40 4.913 -7.780 -0.861 281 1HD1 LEU 40 1HD1 LEU 40 5.905 -9.257 1.407 282 2HD1 LEU 40 2HD1 LEU 40 4.255 -8.782 1.007 283 3HD1 LEU 40 3HD1 LEU 40 5.300 -7.674 1.894 284 1HD2 LEU 40 1HD2 LEU 40 7.039 -6.214 -0.724 285 2HD2 LEU 40 2HD2 LEU 40 6.737 -6.360 1.007 286 3HD2 LEU 40 3HD2 LEU 40 5.482 -5.723 -0.057 287 H HIS 41 H HIS 41 3.966 -9.772 -0.679 288 HA HIS 41 HA HIS 41 3.200 -9.557 -3.437 289 1HB HIS 41 1HB HIS 41 3.327 -12.126 -2.555 290 2HB HIS 41 2HB HIS 41 1.665 -11.718 -2.138 291 HD1 HIS 41 HD1 HIS 41 0.066 -12.251 -3.933 292 HD2 HIS 41 HD2 HIS 41 3.825 -11.343 -5.451 293 HE1 HIS 41 HE1 HIS 41 -0.129 -12.532 -6.424 294 H GLY 42 H GLY 42 2.142 -7.678 -3.075 295 1HA GLY 42 1HA GLY 42 -0.253 -7.054 -2.639 296 2HA GLY 42 2HA GLY 42 0.009 -7.711 -1.030 297 H ASP 43 H ASP 43 -0.837 -5.433 -0.610 298 HA ASP 43 HA ASP 43 1.198 -3.364 -0.861 299 1HB ASP 43 1HB ASP 43 -0.558 -1.900 0.167 300 2HB ASP 43 2HB ASP 43 -1.049 -2.661 -1.343 301 H TYR 44 H TYR 44 2.698 -3.116 0.644 302 HA TYR 44 HA TYR 44 2.001 -3.286 3.454 303 1HB TYR 44 1HB TYR 44 4.153 -5.049 2.265 304 2HB TYR 44 2HB TYR 44 3.833 -4.851 3.985 305 HD1 TYR 44 HD1 TYR 44 2.939 -6.606 0.979 306 HD2 TYR 44 HD2 TYR 44 1.598 -5.612 4.893 307 HE1 TYR 44 HE1 TYR 44 1.308 -8.444 0.881 308 HE2 TYR 44 HE2 TYR 44 -0.036 -7.448 4.806 309 HH TYR 44 HH TYR 44 -0.113 -9.778 3.394 310 H ASP 45 H ASP 45 3.042 -1.770 4.581 311 HA ASP 45 HA ASP 45 4.689 0.131 3.352 312 1HB ASP 45 1HB ASP 45 4.545 -0.435 6.318 313 2HB ASP 45 2HB ASP 45 4.983 1.085 5.544 314 H VAL 46 H VAL 46 6.850 0.694 4.786 315 HA VAL 46 HA VAL 46 8.807 -1.069 3.827 316 HB VAL 46 HB VAL 46 9.379 1.228 4.249 317 1HG1 VAL 46 1HG1 VAL 46 9.068 0.731 7.200 318 2HG1 VAL 46 2HG1 VAL 46 9.358 2.266 6.378 319 3HG1 VAL 46 3HG1 VAL 46 7.802 1.452 6.207 320 1HG2 VAL 46 1HG2 VAL 46 11.131 -0.539 4.501 321 2HG2 VAL 46 2HG2 VAL 46 11.475 0.959 5.366 322 3HG2 VAL 46 3HG2 VAL 46 10.887 -0.452 6.246 323 H GLU 47 H GLU 47 7.503 -0.628 7.103 324 HA GLU 47 HA GLU 47 9.128 -2.680 8.247 325 1HB GLU 47 1HB GLU 47 6.645 -1.289 9.261 326 2HB GLU 47 2HB GLU 47 7.590 -2.429 10.208 327 1HG GLU 47 1HG GLU 47 9.270 -0.960 10.566 328 2HG GLU 47 2HG GLU 47 9.058 -0.166 9.006 329 H SER 48 H SER 48 5.655 -2.482 7.473 330 HA SER 48 HA SER 48 4.949 -5.073 8.174 331 1HB SER 48 1HB SER 48 3.583 -2.954 7.203 332 2HB SER 48 2HB SER 48 3.633 -3.965 5.760 333 HG SER 48 HG SER 48 2.757 -4.850 8.310 334 H GLY 49 H GLY 49 5.950 -3.852 4.979 335 1HA GLY 49 1HA GLY 49 5.847 -6.346 3.666 336 2HA GLY 49 2HA GLY 49 6.757 -4.943 3.127 337 H LEU 50 H LEU 50 8.540 -4.643 5.230 338 HA LEU 50 HA LEU 50 10.618 -6.319 4.528 339 1HB LEU 50 1HB LEU 50 11.351 -4.471 5.645 340 2HB LEU 50 2HB LEU 50 10.056 -4.544 6.838 341 HG LEU 50 HG LEU 50 11.211 -6.326 8.018 342 1HD1 LEU 50 1HD1 LEU 50 12.525 -6.705 5.575 343 2HD1 LEU 50 2HD1 LEU 50 12.770 -7.591 7.079 344 3HD1 LEU 50 3HD1 LEU 50 13.764 -6.181 6.715 345 1HD2 LEU 50 1HD2 LEU 50 12.305 -3.669 7.593 346 2HD2 LEU 50 2HD2 LEU 50 13.524 -4.823 8.134 347 3HD2 LEU 50 3HD2 LEU 50 12.064 -4.568 9.091 348 H GLN 51 H GLN 51 8.578 -6.558 7.443 349 HA GLN 51 HA GLN 51 9.697 -8.974 8.364 350 1HB GLN 51 1HB GLN 51 6.932 -7.864 8.875 351 2HB GLN 51 2HB GLN 51 7.730 -9.114 9.820 352 1HG GLN 51 1HG GLN 51 9.322 -6.696 9.586 353 2HG GLN 51 2HG GLN 51 7.752 -6.416 10.338 354 1HE2 GLN 51 2HE2 GLN 51 10.789 -8.103 10.577 355 2HE2 GLN 51 1HE2 GLN 51 10.648 -8.533 12.244 356 H GLN 52 H GLN 52 7.319 -8.276 5.950 357 HA GLN 52 HA GLN 52 6.120 -10.868 5.890 358 1HB GLN 52 1HB GLN 52 5.741 -8.351 4.587 359 2HB GLN 52 2HB GLN 52 5.854 -9.607 3.360 360 1HG GLN 52 1HG GLN 52 3.916 -9.452 5.652 361 2HG GLN 52 2HG GLN 52 3.563 -9.334 3.928 362 1HE2 GLN 52 2HE2 GLN 52 4.501 -11.330 2.694 363 2HE2 GLN 52 1HE2 GLN 52 4.076 -12.858 3.379 364 H LEU 53 H LEU 53 8.929 -9.418 4.453 365 HA LEU 53 HA LEU 53 9.285 -11.374 2.399 366 1HB LEU 53 1HB LEU 53 10.792 -9.082 3.480 367 2HB LEU 53 2HB LEU 53 11.759 -10.352 2.733 368 HG LEU 53 HG LEU 53 11.435 -8.939 0.958 369 1HD1 LEU 53 1HD1 LEU 53 10.446 -11.273 0.593 370 2HD1 LEU 53 2HD1 LEU 53 10.038 -10.013 -0.571 371 3HD1 LEU 53 3HD1 LEU 53 8.875 -10.474 0.671 372 1HD2 LEU 53 1HD2 LEU 53 10.062 -7.297 2.030 373 2HD2 LEU 53 2HD2 LEU 53 8.678 -8.390 2.046 374 3HD2 LEU 53 3HD2 LEU 53 9.287 -7.759 0.515 375 H LEU 54 H LEU 54 10.953 -10.770 5.492 376 HA LEU 54 HA LEU 54 12.349 -13.286 5.346 377 1HB LEU 54 1HB LEU 54 13.658 -12.463 6.965 378 2HB LEU 54 2HB LEU 54 12.887 -10.931 6.559 379 HG LEU 54 HG LEU 54 12.238 -12.755 8.868 380 1HD1 LEU 54 1HD1 LEU 54 13.156 -9.886 8.799 381 2HD1 LEU 54 2HD1 LEU 54 14.204 -11.272 9.100 382 3HD1 LEU 54 3HD1 LEU 54 12.905 -10.887 10.229 383 1HD2 LEU 54 1HD2 LEU 54 10.143 -12.012 8.705 384 2HD2 LEU 54 2HD2 LEU 54 10.572 -10.825 7.474 385 3HD2 LEU 54 3HD2 LEU 54 10.777 -10.437 9.183 386 H ASP 55 H ASP 55 9.248 -12.485 6.102 387 HA ASP 55 HA ASP 55 8.543 -13.720 8.434 388 1HB ASP 55 1HB ASP 55 7.150 -12.666 6.365 389 2HB ASP 55 2HB ASP 55 6.795 -14.377 6.139 390 H GLY 56 H GLY 56 9.039 -15.651 9.222 391 1HA GLY 56 1HA GLY 56 8.337 -18.087 8.615 392 2HA GLY 56 2HA GLY 56 9.547 -17.863 7.360 393 H SER 57 H SER 57 10.897 -16.081 9.568 394 HA SER 57 HA SER 57 12.356 -18.336 10.764 395 1HB SER 57 1HB SER 57 14.011 -16.291 11.236 396 2HB SER 57 2HB SER 57 14.009 -17.155 9.698 397 HG SER 57 HG SER 57 13.112 -14.595 10.308 398 H GLY 58 H GLY 58 11.115 -15.090 11.532 399 1HA GLY 58 1HA GLY 58 9.962 -14.513 13.499 400 2HA GLY 58 2HA GLY 58 10.520 -16.006 14.238 401 H LEU 59 H LEU 59 11.637 -12.821 13.149 402 HA LEU 59 HA LEU 59 13.461 -12.775 15.449 403 1HB LEU 59 1HB LEU 59 14.108 -12.361 12.576 404 2HB LEU 59 2HB LEU 59 14.948 -11.376 13.773 405 HG LEU 59 HG LEU 59 15.281 -13.884 14.793 406 1HD1 LEU 59 1HD1 LEU 59 14.242 -14.534 12.432 407 2HD1 LEU 59 2HD1 LEU 59 15.504 -15.491 13.208 408 3HD1 LEU 59 3HD1 LEU 59 15.924 -14.342 11.939 409 1HD2 LEU 59 1HD2 LEU 59 17.317 -13.003 14.763 410 2HD2 LEU 59 2HD2 LEU 59 16.850 -11.856 13.507 411 3HD2 LEU 59 3HD2 LEU 59 17.449 -13.455 13.063 412 H GLN 60 H GLN 60 14.407 -10.418 15.614 413 HA GLN 60 HA GLN 60 12.148 -8.557 15.272 414 1HB GLN 60 1HB GLN 60 13.372 -7.374 17.273 415 2HB GLN 60 2HB GLN 60 12.282 -8.723 17.565 416 1HG GLN 60 1HG GLN 60 14.090 -9.260 18.878 417 2HG GLN 60 2HG GLN 60 14.416 -10.171 17.405 418 1HE2 GLN 60 2HE2 GLN 60 16.559 -9.950 18.722 419 2HE2 GLN 60 1HE2 GLN 60 17.596 -8.674 18.194 420 H VAL 61 H VAL 61 12.593 -6.419 14.690 421 HA VAL 61 HA VAL 61 15.341 -5.898 13.765 422 HB VAL 61 HB VAL 61 13.136 -4.635 12.248 423 1HG1 VAL 61 1HG1 VAL 61 15.794 -5.873 11.553 424 2HG1 VAL 61 2HG1 VAL 61 14.688 -5.181 10.364 425 3HG1 VAL 61 3HG1 VAL 61 15.390 -4.157 11.617 426 1HG2 VAL 61 1HG2 VAL 61 13.617 -7.582 12.293 427 2HG2 VAL 61 2HG2 VAL 61 12.096 -6.695 12.191 428 3HG2 VAL 61 3HG2 VAL 61 13.155 -6.794 10.784 429 H LYS 62 H LYS 62 16.123 -3.845 14.047 430 HA LYS 62 HA LYS 62 14.356 -1.740 14.998 431 1HB LYS 62 1HB LYS 62 15.369 -1.402 17.076 432 2HB LYS 62 2HB LYS 62 15.220 -3.152 16.976 433 1HG LYS 62 1HG LYS 62 17.730 -1.692 16.209 434 2HG LYS 62 2HG LYS 62 17.410 -2.256 17.851 435 1HD LYS 62 1HD LYS 62 17.163 -4.549 16.994 436 2HD LYS 62 2HD LYS 62 17.532 -3.970 15.368 437 1HE LYS 62 1HE LYS 62 19.544 -4.868 16.233 438 2HE LYS 62 2HE LYS 62 19.714 -3.115 16.297 439 1HZ LYS 62 1HZ LYS 62 18.674 -4.500 18.660 440 2HZ LYS 62 2HZ LYS 62 19.606 -3.093 18.560 441 3HZ LYS 62 3HZ LYS 62 20.331 -4.605 18.339 442 HA PRO 63 HA PRO 63 17.111 0.727 12.611 443 1HB PRO 63 1HB PRO 63 16.558 3.159 13.684 444 2HB PRO 63 2HB PRO 63 15.446 2.311 12.602 445 1HG PRO 63 1HG PRO 63 15.416 2.487 15.590 446 2HG PRO 63 2HG PRO 63 14.065 2.611 14.448 447 1HD PRO 63 1HD PRO 63 14.602 0.345 15.830 448 2HD PRO 63 2HD PRO 63 13.903 0.325 14.198 449 H LEU 64 H LEU 64 18.992 2.086 12.782 450 HA LEU 64 HA LEU 64 20.266 2.044 15.437 451 1HB LEU 64 1HB LEU 64 21.913 1.803 12.969 452 2HB LEU 64 2HB LEU 64 22.253 1.246 14.605 453 HG LEU 64 HG LEU 64 20.239 -0.043 12.768 454 1HD1 LEU 64 1HD1 LEU 64 22.371 -0.329 11.749 455 2HD1 LEU 64 2HD1 LEU 64 21.973 -1.836 12.573 456 3HD1 LEU 64 3HD1 LEU 64 23.126 -0.715 13.295 457 1HD2 LEU 64 1HD2 LEU 64 19.586 -0.952 14.704 458 2HD2 LEU 64 2HD2 LEU 64 21.029 -0.404 15.557 459 3HD2 LEU 64 3HD2 LEU 64 21.077 -1.889 14.606 460 H GLY 65 H GLY 65 20.874 3.385 12.180 461 1HA GLY 65 1HA GLY 65 21.271 6.012 13.475 462 2HA GLY 65 2HA GLY 65 22.293 5.445 12.162 463 H ASN 66 H ASN 66 21.801 6.156 10.201 464 HA ASN 66 HA ASN 66 19.409 7.685 9.773 465 1HB ASN 66 1HB ASN 66 21.929 7.723 8.683 466 2HB ASN 66 2HB ASN 66 20.983 6.978 7.397 467 1HD2 ASN 66 2HD2 ASN 66 19.086 8.131 6.652 468 2HD2 ASN 66 1HD2 ASN 66 19.077 9.858 6.699 469 H ASN 67 H ASN 67 17.664 6.294 9.918 470 HA ASN 67 HA ASN 67 16.195 4.645 9.327 471 1HB ASN 67 1HB ASN 67 16.738 6.297 7.134 472 2HB ASN 67 2HB ASN 67 16.769 4.660 6.485 473 1HD2 ASN 67 2HD2 ASN 67 14.899 3.327 7.769 474 2HD2 ASN 67 1HD2 ASN 67 13.342 4.050 7.571 475 H SER 68 H SER 68 18.935 3.773 9.901 476 HA SER 68 HA SER 68 19.287 1.499 8.097 477 1HB SER 68 1HB SER 68 21.266 1.313 10.021 478 2HB SER 68 2HB SER 68 21.437 2.076 8.440 479 HG SER 68 HG SER 68 21.927 3.310 10.516 480 H TRP 69 H TRP 69 18.200 -0.288 8.559 481 HA TRP 69 HA TRP 69 17.657 -0.932 11.377 482 1HB TRP 69 1HB TRP 69 16.278 -1.889 8.860 483 2HB TRP 69 2HB TRP 69 15.871 -2.412 10.492 484 HD1 TRP 69 HD1 TRP 69 16.301 1.100 8.862 485 HE1 TRP 69 HE1 TRP 69 14.281 2.537 9.559 486 HE3 TRP 69 HE3 TRP 69 13.792 -2.342 11.689 487 HZ2 TRP 69 HZ2 TRP 69 11.936 2.248 11.102 488 HZ3 TRP 69 HZ3 TRP 69 11.668 -1.682 12.741 489 HH2 TRP 69 HH2 TRP 69 10.761 0.566 12.453 490 H THR 70 H THR 70 17.982 -3.054 12.141 491 HA THR 70 HA THR 70 19.592 -4.817 10.431 492 HB THR 70 HB THR 70 21.108 -3.488 11.910 493 HG1 THR 70 HG1 THR 70 22.294 -5.316 12.513 494 1HG2 THR 70 1HG2 THR 70 19.618 -3.281 13.845 495 2HG2 THR 70 2HG2 THR 70 21.159 -4.008 14.302 496 3HG2 THR 70 3HG2 THR 70 19.726 -5.020 14.117 497 H LEU 71 H LEU 71 19.505 -7.030 10.966 498 HA LEU 71 HA LEU 71 17.153 -7.749 12.565 499 1HB LEU 71 1HB LEU 71 18.341 -8.731 10.111 500 2HB LEU 71 2HB LEU 71 18.054 -10.031 11.266 501 HG LEU 71 HG LEU 71 16.165 -9.901 9.820 502 1HD1 LEU 71 1HD1 LEU 71 14.398 -9.617 11.378 503 2HD1 LEU 71 2HD1 LEU 71 15.354 -8.509 12.361 504 3HD1 LEU 71 3HD1 LEU 71 15.788 -10.216 12.283 505 1HD2 LEU 71 1HD2 LEU 71 16.574 -7.015 10.127 506 2HD2 LEU 71 2HD2 LEU 71 14.886 -7.524 10.165 507 3HD2 LEU 71 3HD2 LEU 71 15.900 -7.932 8.780 508 H GLU 72 H GLU 72 17.243 -9.243 14.211 509 HA GLU 72 HA GLU 72 19.656 -10.676 14.826 510 1HB GLU 72 1HB GLU 72 19.475 -9.486 17.240 511 2HB GLU 72 2HB GLU 72 20.573 -8.955 15.975 512 1HG GLU 72 1HG GLU 72 19.267 -7.132 15.421 513 2HG GLU 72 2HG GLU 72 17.813 -7.829 16.133 514 HA PRO 73 HA PRO 73 16.841 -13.370 16.841 515 1HB PRO 73 1HB PRO 73 18.387 -14.422 18.810 516 2HB PRO 73 2HB PRO 73 18.595 -14.832 17.103 517 1HG PRO 73 1HG PRO 73 20.132 -12.891 18.786 518 2HG PRO 73 2HG PRO 73 20.733 -14.064 17.599 519 1HD PRO 73 1HD PRO 73 20.447 -11.432 17.031 520 2HD PRO 73 2HD PRO 73 20.227 -12.701 15.810 521 H ALA 74 H ALA 74 15.206 -12.988 18.189 522 HA ALA 74 HA ALA 74 15.470 -10.991 20.268 523 1HB ALA 74 1HB ALA 74 13.445 -11.587 18.596 524 2HB ALA 74 2HB ALA 74 12.942 -12.487 20.028 525 3HB ALA 74 3HB ALA 74 13.232 -10.750 20.134 526 HA PRO 75 HA PRO 75 16.003 -13.684 23.696 527 1HB PRO 75 1HB PRO 75 14.703 -12.299 25.635 528 2HB PRO 75 2HB PRO 75 16.264 -11.795 24.977 529 1HG PRO 75 1HG PRO 75 13.519 -10.805 24.311 530 2HG PRO 75 2HG PRO 75 15.011 -9.881 24.560 531 1HD PRO 75 1HD PRO 75 14.049 -10.457 22.095 532 2HD PRO 75 2HD PRO 75 15.786 -10.318 22.434 533 H ALA 76 H ALA 76 14.947 -15.202 25.014 534 HA ALA 76 HA ALA 76 12.667 -16.404 24.031 535 1HB ALA 76 1HB ALA 76 12.649 -17.104 26.701 536 2HB ALA 76 2HB ALA 76 13.540 -17.918 25.414 537 3HB ALA 76 3HB ALA 76 14.334 -16.684 26.392 538 HA PRO 77 HA PRO 77 9.159 -14.206 25.485 539 1HB PRO 77 1HB PRO 77 7.450 -16.209 26.150 540 2HB PRO 77 2HB PRO 77 7.857 -15.808 24.477 541 1HG PRO 77 1HG PRO 77 8.947 -17.982 26.223 542 2HG PRO 77 2HG PRO 77 8.468 -18.051 24.517 543 1HD PRO 77 1HD PRO 77 11.052 -17.837 25.297 544 2HD PRO 77 2HD PRO 77 10.446 -17.114 23.793 545 H LYS 78 H LYS 78 7.694 -13.874 27.345 546 HA LYS 78 HA LYS 78 9.119 -14.388 29.853 547 1HB LYS 78 1HB LYS 78 8.556 -12.040 29.216 548 2HB LYS 78 2HB LYS 78 6.851 -12.460 29.324 549 1HG LYS 78 1HG LYS 78 7.408 -11.390 31.348 550 2HG LYS 78 2HG LYS 78 7.278 -13.111 31.718 551 1HD LYS 78 1HD LYS 78 9.860 -13.078 31.215 552 2HD LYS 78 2HD LYS 78 9.693 -11.364 31.599 553 1HE LYS 78 1HE LYS 78 8.723 -13.583 33.391 554 2HE LYS 78 2HE LYS 78 10.314 -12.839 33.534 555 1HZ LYS 78 1HZ LYS 78 8.988 -11.695 35.046 556 2HZ LYS 78 2HZ LYS 78 7.666 -11.612 33.995 557 3HZ LYS 78 3HZ LYS 78 9.036 -10.662 33.707 558 H GLU 79 H GLU 79 8.428 -16.522 30.210 559 HA GLU 79 HA GLU 79 5.835 -17.489 30.088 560 1HB GLU 79 1HB GLU 79 7.992 -18.781 30.506 561 2HB GLU 79 2HB GLU 79 7.822 -18.323 32.195 562 1HG GLU 79 1HG GLU 79 5.860 -19.575 32.456 563 2HG GLU 79 2HG GLU 79 5.634 -19.738 30.715 564 H ASP 80 H ASP 80 4.077 -16.717 31.037 565 HA ASP 80 HA ASP 80 4.196 -16.034 33.886 566 1HB ASP 80 1HB ASP 80 3.337 -14.268 31.641 567 2HB ASP 80 2HB ASP 80 2.442 -14.177 33.155 568 H ALA 81 H ALA 81 1.973 -15.864 34.846 569 HA ALA 81 HA ALA 81 0.219 -17.882 33.609 570 1HB ALA 81 1HB ALA 81 0.019 -17.198 36.500 571 2HB ALA 81 2HB ALA 81 -0.297 -18.725 35.676 572 3HB ALA 81 3HB ALA 81 1.364 -18.199 35.951 573 H LEU 82 H LEU 82 -1.271 -16.754 32.483 574 HA LEU 82 HA LEU 82 -2.540 -14.431 33.739 575 1HB LEU 82 1HB LEU 82 -2.244 -15.405 30.944 576 2HB LEU 82 2HB LEU 82 -3.647 -14.415 31.341 577 HG LEU 82 HG LEU 82 -1.880 -13.054 30.391 578 1HD1 LEU 82 1HD1 LEU 82 -1.532 -12.024 33.046 579 2HD1 LEU 82 2HD1 LEU 82 -3.187 -12.589 32.824 580 3HD1 LEU 82 3HD1 LEU 82 -2.508 -11.394 31.719 581 1HD2 LEU 82 1HD2 LEU 82 -0.085 -14.679 31.373 582 2HD2 LEU 82 2HD2 LEU 82 -0.123 -13.574 32.747 583 3HD2 LEU 82 3HD2 LEU 82 0.293 -12.971 31.141 584 H THR 83 H THR 83 -4.771 -14.276 34.001 585 HA THR 83 HA THR 83 -6.118 -16.580 34.812 586 HB THR 83 HB THR 83 -8.144 -14.786 34.178 587 HG1 THR 83 HG1 THR 83 -7.266 -12.873 34.045 588 1HG2 THR 83 1HG2 THR 83 -6.492 -14.972 36.700 589 2HG2 THR 83 2HG2 THR 83 -7.881 -15.980 36.293 590 3HG2 THR 83 3HG2 THR 83 -8.096 -14.252 36.574 591 H VAL 84 H VAL 84 -8.339 -17.209 33.917 592 HA VAL 84 HA VAL 84 -8.287 -17.283 30.975 593 HB VAL 84 HB VAL 84 -9.177 -19.632 31.123 594 1HG1 VAL 84 1HG1 VAL 84 -6.418 -19.344 32.292 595 2HG1 VAL 84 2HG1 VAL 84 -7.025 -20.629 31.245 596 3HG1 VAL 84 3HG1 VAL 84 -6.796 -19.002 30.604 597 1HG2 VAL 84 1HG2 VAL 84 -9.212 -19.038 33.877 598 2HG2 VAL 84 2HG2 VAL 84 -9.647 -20.554 33.089 599 3HG2 VAL 84 3HG2 VAL 84 -7.994 -20.292 33.642 600 H VAL 85 H VAL 85 -10.268 -17.263 29.947 601 HA VAL 85 HA VAL 85 -12.553 -16.586 31.668 602 HB VAL 85 HB VAL 85 -13.547 -15.559 29.657 603 1HG1 VAL 85 1HG1 VAL 85 -10.758 -14.514 30.099 604 2HG1 VAL 85 2HG1 VAL 85 -12.199 -13.601 29.646 605 3HG1 VAL 85 3HG1 VAL 85 -12.069 -14.303 31.259 606 1HG2 VAL 85 1HG2 VAL 85 -10.901 -16.116 28.324 607 2HG2 VAL 85 2HG2 VAL 85 -12.379 -17.029 28.021 608 3HG2 VAL 85 3HG2 VAL 85 -12.304 -15.314 27.618 609 H GLY 86 H GLY 86 -14.735 -17.123 30.533 610 1HA GLY 86 1HA GLY 86 -14.859 -19.433 28.875 611 2HA GLY 86 2HA GLY 86 -15.107 -19.867 30.560 612 H ASP 87 H ASP 87 -17.182 -20.542 29.311 613 HA ASP 87 HA ASP 87 -19.169 -18.482 29.889 614 1HB ASP 87 1HB ASP 87 -19.091 -19.986 27.264 615 2HB ASP 87 2HB ASP 87 -20.352 -18.867 27.775 616 H TRP 88 H TRP 88 -21.440 -19.453 29.707 617 HA TRP 88 HA TRP 88 -21.544 -22.318 30.194 618 1HB TRP 88 1HB TRP 88 -21.090 -21.389 32.418 619 2HB TRP 88 2HB TRP 88 -22.473 -20.309 32.258 620 HD1 TRP 88 HD1 TRP 88 -24.466 -21.153 33.601 621 HE1 TRP 88 HE1 TRP 88 -25.437 -23.450 34.238 622 HE3 TRP 88 HE3 TRP 88 -21.045 -24.154 31.271 623 HZ2 TRP 88 HZ2 TRP 88 -24.832 -26.174 33.810 624 HZ3 TRP 88 HZ3 TRP 88 -21.313 -26.594 31.434 625 HH2 TRP 88 HH2 TRP 88 -23.168 -27.582 32.678 626 H LEU 89 H LEU 89 -23.648 -23.201 30.024 627 HA LEU 89 HA LEU 89 -25.745 -21.360 29.115 628 1HB LEU 89 1HB LEU 89 -24.354 -22.659 27.288 629 2HB LEU 89 2HB LEU 89 -25.431 -23.980 27.736 630 HG LEU 89 HG LEU 89 -26.306 -22.881 25.791 631 1HD1 LEU 89 1HD1 LEU 89 -27.801 -23.559 27.803 632 2HD1 LEU 89 2HD1 LEU 89 -28.492 -22.620 26.480 633 3HD1 LEU 89 3HD1 LEU 89 -28.035 -21.820 27.984 634 1HD2 LEU 89 1HD2 LEU 89 -25.172 -20.727 26.082 635 2HD2 LEU 89 2HD2 LEU 89 -26.264 -20.335 27.410 636 3HD2 LEU 89 3HD2 LEU 89 -26.897 -20.523 25.774 637 H GLY 90 H GLY 90 -27.290 -21.595 30.602 638 1HA GLY 90 1HA GLY 90 -27.785 -24.240 31.761 639 2HA GLY 90 2HA GLY 90 -28.400 -22.711 32.372 640 H ASP 91 H ASP 91 -29.732 -25.300 31.672 641 HA ASP 91 HA ASP 91 -31.533 -24.411 29.536 642 1HB ASP 91 1HB ASP 91 -31.374 -27.118 30.876 643 2HB ASP 91 2HB ASP 91 -32.317 -26.710 29.445 644 H ALA 92 H ALA 92 -31.894 -22.915 31.727 645 HA ALA 92 HA ALA 92 -33.973 -24.065 33.396 646 1HB ALA 92 1HB ALA 92 -33.211 -21.179 33.474 647 2HB ALA 92 2HB ALA 92 -33.720 -22.243 34.786 648 3HB ALA 92 3HB ALA 92 -32.101 -22.398 34.102 649 H ARG 93 H ARG 93 -36.060 -23.027 33.661 650 HA ARG 93 HA ARG 93 -38.062 -22.330 32.834 651 1HB ARG 93 1HB ARG 93 -36.156 -20.375 31.579 652 2HB ARG 93 2HB ARG 93 -37.879 -20.300 31.236 653 1HG ARG 93 1HG ARG 93 -38.338 -20.036 33.627 654 2HG ARG 93 2HG ARG 93 -36.605 -20.088 33.956 655 1HD ARG 93 1HD ARG 93 -37.888 -18.069 32.128 656 2HD ARG 93 2HD ARG 93 -37.626 -17.789 33.849 657 HE ARG 93 HE ARG 93 -35.173 -18.500 32.946 658 1HH1 ARG 93 2HH1 ARG 93 -37.505 -16.114 31.952 659 2HH1 ARG 93 1HH1 ARG 93 -36.312 -15.005 31.361 660 1HH2 ARG 93 2HH2 ARG 93 -33.593 -17.048 32.172 661 2HH2 ARG 93 1HH2 ARG 93 -34.087 -15.538 31.486 662 H GLU 94 H GLU 94 -37.021 -24.580 31.589 663 HA GLU 94 HA GLU 94 -37.262 -24.275 28.726 664 1HB GLU 94 1HB GLU 94 -35.771 -25.951 30.057 665 2HB GLU 94 2HB GLU 94 -37.235 -26.921 30.136 666 1HG GLU 94 1HG GLU 94 -37.326 -27.164 27.798 667 2HG GLU 94 2HG GLU 94 -36.130 -25.894 27.543 668 H ASN 95 H ASN 95 -38.807 -25.488 27.445 669 HA ASN 95 HA ASN 95 -41.452 -25.026 28.159 670 1HB ASN 95 1HB ASN 95 -41.998 -26.615 26.266 671 2HB ASN 95 2HB ASN 95 -40.921 -25.285 25.849 672 1HD2 ASN 95 2HD2 ASN 95 -39.186 -25.800 24.740 673 2HD2 ASN 95 1HD2 ASN 95 -38.442 -27.358 24.677 674 H ASP 96 H ASP 96 -43.104 -26.293 28.952 675 HA ASP 96 HA ASP 96 -42.265 -28.816 30.223 676 1HB ASP 96 1HB ASP 96 -42.990 -26.779 31.660 677 2HB ASP 96 2HB ASP 96 -44.622 -27.192 31.140 678 H LEU 97 H LEU 97 -44.134 -30.349 30.610 679 HA LEU 97 HA LEU 97 -45.689 -30.537 28.131 680 1HB LEU 97 1HB LEU 97 -44.724 -32.537 30.136 681 2HB LEU 97 2HB LEU 97 -46.076 -32.925 29.074 682 HG LEU 97 HG LEU 97 -44.365 -32.183 27.202 683 1HD1 LEU 97 1HD1 LEU 97 -42.197 -32.102 27.735 684 2HD1 LEU 97 2HD1 LEU 97 -42.316 -33.487 28.820 685 3HD1 LEU 97 3HD1 LEU 97 -42.755 -31.878 29.393 686 1HD2 LEU 97 1HD2 LEU 97 -43.965 -34.863 28.491 687 2HD2 LEU 97 2HD2 LEU 97 -43.964 -34.446 26.777 688 3HD2 LEU 97 3HD2 LEU 97 -45.476 -34.439 27.686 689 H GLU 98 H GLU 98 -47.864 -31.675 28.410 690 HA GLU 98 HA GLU 98 -49.250 -30.501 30.731 691 1HB GLU 98 1HB GLU 98 -49.743 -29.638 28.342 692 2HB GLU 98 2HB GLU 98 -50.599 -31.158 28.128 693 1HG GLU 98 1HG GLU 98 -52.117 -29.370 28.751 694 2HG GLU 98 2HG GLU 98 -52.061 -30.619 29.993 695 H HIS 99 H HIS 99 -51.144 -31.659 31.505 696 HA HIS 99 HA HIS 99 -50.721 -34.552 31.372 697 1HB HIS 99 1HB HIS 99 -52.266 -32.820 33.307 698 2HB HIS 99 2HB HIS 99 -52.259 -34.581 33.367 699 HD1 HIS 99 HD1 HIS 99 -50.722 -31.869 34.967 700 HD2 HIS 99 HD2 HIS 99 -49.300 -35.460 33.435 701 HE1 HIS 99 HE1 HIS 99 -48.524 -32.269 36.121 702 H HIS 100 H HIS 100 -52.899 -35.809 31.739 703 HA HIS 100 HA HIS 100 -54.661 -34.997 29.542 704 1HB HIS 100 1HB HIS 100 -54.155 -37.646 30.890 705 2HB HIS 100 2HB HIS 100 -55.504 -37.398 29.785 706 HD1 HIS 100 HD1 HIS 100 -53.881 -35.614 27.731 707 HD2 HIS 100 HD2 HIS 100 -52.702 -39.305 29.232 708 HE1 HIS 100 HE1 HIS 100 -52.271 -36.545 26.038 709 H HIS 101 H HIS 101 -56.943 -35.090 29.761 710 HA HIS 101 HA HIS 101 -57.839 -34.469 32.474 711 1HB HIS 101 1HB HIS 101 -58.849 -33.849 29.731 712 2HB HIS 101 2HB HIS 101 -59.998 -33.874 31.066 713 HD1 HIS 101 HD1 HIS 101 -58.614 -31.408 29.286 714 HD2 HIS 101 HD2 HIS 101 -58.225 -32.319 33.320 715 HE1 HIS 101 HE1 HIS 101 -57.917 -29.261 30.396 716 H HIS 102 H HIS 102 -60.319 -35.107 32.733 717 HA HIS 102 HA HIS 102 -60.636 -37.921 31.938 718 1HB HIS 102 1HB HIS 102 -60.645 -36.737 34.671 719 2HB HIS 102 2HB HIS 102 -61.796 -38.027 34.337 720 HD1 HIS 102 HD1 HIS 102 -58.782 -37.766 35.923 721 HD2 HIS 102 HD2 HIS 102 -60.029 -40.159 32.764 722 HE1 HIS 102 HE1 HIS 102 -57.197 -39.718 35.892 723 H HIS 103 H HIS 103 -62.809 -38.681 31.846 724 HA HIS 103 HA HIS 103 -64.720 -36.527 31.300 725 1HB HIS 103 1HB HIS 103 -64.112 -38.479 29.661 726 2HB HIS 103 2HB HIS 103 -65.233 -39.409 30.652 727 HD1 HIS 103 HD1 HIS 103 -67.463 -39.475 29.615 728 HD2 HIS 103 HD2 HIS 103 -65.562 -35.847 28.923 729 HE1 HIS 103 HE1 HIS 103 -69.086 -38.113 28.260 730 H HIS 104 H HIS 104 -64.406 -39.554 33.108 731 HA HIS 104 HA HIS 104 -66.984 -39.622 34.201 732 1HB HIS 104 1HB HIS 104 -64.407 -40.645 35.415 733 2HB HIS 104 2HB HIS 104 -66.032 -41.120 35.901 734 HD1 HIS 104 HD1 HIS 104 -67.074 -43.024 34.659 735 HD2 HIS 104 HD2 HIS 104 -63.712 -41.525 32.734 736 HE1 HIS 104 HE1 HIS 104 -66.619 -44.615 32.765 Start of MODEL 14 1 1H ALA 1 H ALA 1 0.107 0.449 -0.271 2 HA ALA 1 HA ALA 1 2.765 0.669 -1.354 3 1HB ALA 1 1HB ALA 1 2.154 -0.906 1.105 4 2HB ALA 1 2HB ALA 1 3.532 0.136 0.748 5 3HB ALA 1 3HB ALA 1 1.963 0.847 1.127 6 H GLN 2 H GLN 2 0.809 -1.081 -2.728 7 HA GLN 2 HA GLN 2 1.227 -3.784 -2.297 8 1HB GLN 2 1HB GLN 2 -0.351 -2.589 -3.957 9 2HB GLN 2 2HB GLN 2 1.012 -2.636 -5.067 10 1HG GLN 2 1HG GLN 2 0.177 -5.157 -3.732 11 2HG GLN 2 2HG GLN 2 -0.808 -4.525 -5.051 12 1HE2 GLN 2 2HE2 GLN 2 1.183 -6.843 -4.608 13 2HE2 GLN 2 1HE2 GLN 2 2.160 -6.792 -6.032 14 H VAL 3 H VAL 3 2.993 -4.991 -2.337 15 HA VAL 3 HA VAL 3 5.152 -4.291 -4.209 16 HB VAL 3 HB VAL 3 5.536 -5.138 -1.334 17 1HG1 VAL 3 1HG1 VAL 3 7.518 -4.617 -3.543 18 2HG1 VAL 3 2HG1 VAL 3 7.950 -4.738 -1.836 19 3HG1 VAL 3 3HG1 VAL 3 7.254 -6.127 -2.671 20 1HG2 VAL 3 1HG2 VAL 3 5.336 -2.549 -2.624 21 2HG2 VAL 3 2HG2 VAL 3 5.348 -2.957 -0.908 22 3HG2 VAL 3 3HG2 VAL 3 6.869 -2.752 -1.776 23 H ASN 4 H ASN 4 5.515 -5.923 -5.546 24 HA ASN 4 HA ASN 4 5.063 -8.669 -4.573 25 1HB ASN 4 1HB ASN 4 4.797 -9.092 -7.157 26 2HB ASN 4 2HB ASN 4 3.445 -8.472 -6.213 27 1HD2 ASN 4 2HD2 ASN 4 5.496 -7.955 -8.840 28 2HD2 ASN 4 1HD2 ASN 4 4.977 -6.359 -9.249 29 H ILE 5 H ILE 5 6.936 -9.658 -4.242 30 HA ILE 5 HA ILE 5 9.107 -9.234 -6.190 31 HB ILE 5 HB ILE 5 9.444 -9.768 -3.236 32 1HG1 ILE 5 1HG1 ILE 5 10.245 -7.251 -4.674 33 2HG1 ILE 5 2HG1 ILE 5 8.618 -7.442 -4.030 34 1HG2 ILE 5 1HG2 ILE 5 11.345 -10.676 -4.112 35 2HG2 ILE 5 2HG2 ILE 5 11.315 -9.642 -5.539 36 3HG2 ILE 5 3HG2 ILE 5 11.855 -8.992 -3.992 37 1HD1 ILE 5 1HD1 ILE 5 11.156 -7.628 -2.426 38 2HD1 ILE 5 2HD1 ILE 5 10.085 -6.229 -2.501 39 3HD1 ILE 5 3HD1 ILE 5 9.512 -7.742 -1.801 40 H ALA 6 H ALA 6 10.061 -11.009 -7.023 41 HA ALA 6 HA ALA 6 8.870 -13.584 -6.400 42 1HB ALA 6 1HB ALA 6 9.651 -14.325 -8.438 43 2HB ALA 6 2HB ALA 6 9.401 -12.608 -8.754 44 3HB ALA 6 3HB ALA 6 11.024 -13.218 -8.435 45 HA PRO 7 HA PRO 7 12.179 -14.756 -3.697 46 1HB PRO 7 1HB PRO 7 11.529 -17.385 -3.503 47 2HB PRO 7 2HB PRO 7 10.637 -16.111 -2.664 48 1HG PRO 7 1HG PRO 7 9.971 -17.522 -5.218 49 2HG PRO 7 2HG PRO 7 8.906 -17.093 -3.867 50 1HD PRO 7 1HD PRO 7 9.019 -15.643 -6.151 51 2HD PRO 7 2HD PRO 7 8.688 -14.908 -4.569 52 H GLY 8 H GLY 8 13.430 -17.170 -3.681 53 1HA GLY 8 1HA GLY 8 14.626 -18.709 -5.074 54 2HA GLY 8 2HA GLY 8 14.449 -17.581 -6.410 55 H SER 9 H SER 9 15.222 -15.832 -3.706 56 HA SER 9 HA SER 9 17.952 -16.245 -3.336 57 1HB SER 9 1HB SER 9 18.458 -13.956 -4.728 58 2HB SER 9 2HB SER 9 18.744 -15.579 -5.354 59 HG SER 9 HG SER 9 17.266 -15.212 -6.786 60 H LEU 10 H LEU 10 17.692 -15.621 -1.261 61 HA LEU 10 HA LEU 10 16.123 -13.577 -0.268 62 1HB LEU 10 1HB LEU 10 17.169 -13.899 1.753 63 2HB LEU 10 2HB LEU 10 17.487 -15.426 0.932 64 HG LEU 10 HG LEU 10 19.471 -14.762 2.085 65 1HD1 LEU 10 1HD1 LEU 10 19.372 -15.308 -0.614 66 2HD1 LEU 10 2HD1 LEU 10 20.809 -15.357 0.407 67 3HD1 LEU 10 3HD1 LEU 10 20.434 -13.903 -0.518 68 1HD2 LEU 10 1HD2 LEU 10 20.011 -12.314 0.590 69 2HD2 LEU 10 2HD2 LEU 10 20.199 -12.660 2.310 70 3HD2 LEU 10 3HD2 LEU 10 18.623 -12.189 1.671 71 H ASP 11 H ASP 11 19.161 -13.395 -1.899 72 HA ASP 11 HA ASP 11 19.944 -10.819 -0.977 73 1HB ASP 11 1HB ASP 11 21.459 -10.859 -2.979 74 2HB ASP 11 2HB ASP 11 21.620 -12.256 -1.918 75 H LYS 12 H LYS 12 18.354 -11.943 -3.955 76 HA LYS 12 HA LYS 12 18.047 -9.436 -5.160 77 1HB LYS 12 1HB LYS 12 16.602 -12.052 -5.419 78 2HB LYS 12 2HB LYS 12 16.018 -10.634 -6.278 79 1HG LYS 12 1HG LYS 12 18.755 -10.723 -6.800 80 2HG LYS 12 2HG LYS 12 18.201 -12.395 -6.916 81 1HD LYS 12 1HD LYS 12 16.894 -10.067 -8.321 82 2HD LYS 12 2HD LYS 12 18.086 -11.137 -9.064 83 1HE LYS 12 1HE LYS 12 16.329 -12.944 -8.081 84 2HE LYS 12 2HE LYS 12 15.245 -11.599 -8.436 85 1HZ LYS 12 1HZ LYS 12 15.587 -11.785 -10.651 86 2HZ LYS 12 2HZ LYS 12 15.897 -13.396 -10.240 87 3HZ LYS 12 3HZ LYS 12 17.182 -12.326 -10.493 88 H ALA 13 H ALA 13 15.695 -11.301 -3.236 89 HA ALA 13 HA ALA 13 13.615 -9.483 -3.223 90 1HB ALA 13 1HB ALA 13 13.585 -11.818 -2.310 91 2HB ALA 13 2HB ALA 13 14.374 -11.190 -0.862 92 3HB ALA 13 3HB ALA 13 12.768 -10.616 -1.310 93 H LEU 14 H LEU 14 16.384 -9.672 -1.010 94 HA LEU 14 HA LEU 14 15.686 -7.703 0.794 95 1HB LEU 14 1HB LEU 14 17.586 -8.813 1.408 96 2HB LEU 14 2HB LEU 14 18.259 -8.784 -0.221 97 HG LEU 14 HG LEU 14 18.837 -6.410 0.083 98 1HD1 LEU 14 1HD1 LEU 14 17.370 -5.488 1.595 99 2HD1 LEU 14 2HD1 LEU 14 18.807 -5.703 2.595 100 3HD1 LEU 14 3HD1 LEU 14 17.478 -6.858 2.702 101 1HD2 LEU 14 1HD2 LEU 14 20.097 -7.519 2.467 102 2HD2 LEU 14 2HD2 LEU 14 20.814 -6.997 0.942 103 3HD2 LEU 14 3HD2 LEU 14 20.126 -8.615 1.085 104 H ASN 15 H ASN 15 17.497 -7.312 -2.246 105 HA ASN 15 HA ASN 15 17.646 -4.475 -2.037 106 1HB ASN 15 1HB ASN 15 17.904 -6.097 -4.571 107 2HB ASN 15 2HB ASN 15 18.610 -4.521 -4.223 108 1HD2 ASN 15 2HD2 ASN 15 19.475 -7.517 -4.725 109 2HD2 ASN 15 1HD2 ASN 15 20.806 -7.684 -3.637 110 H GLN 16 H GLN 16 15.394 -6.724 -3.497 111 HA GLN 16 HA GLN 16 14.000 -4.951 -5.158 112 1HB GLN 16 1HB GLN 16 13.061 -7.429 -3.709 113 2HB GLN 16 2HB GLN 16 12.108 -6.581 -4.920 114 1HG GLN 16 1HG GLN 16 14.804 -7.250 -5.811 115 2HG GLN 16 2HG GLN 16 13.819 -8.654 -5.400 116 1HE2 GLN 16 2HE2 GLN 16 14.099 -9.059 -7.729 117 2HE2 GLN 16 1HE2 GLN 16 12.972 -8.342 -8.824 118 H TYR 17 H TYR 17 13.158 -6.044 -1.868 119 HA TYR 17 HA TYR 17 11.029 -4.185 -1.582 120 1HB TYR 17 1HB TYR 17 10.646 -5.185 0.432 121 2HB TYR 17 2HB TYR 17 11.674 -6.429 -0.270 122 HD1 TYR 17 HD1 TYR 17 13.934 -6.775 0.530 123 HD2 TYR 17 HD2 TYR 17 11.484 -3.717 2.189 124 HE1 TYR 17 HE1 TYR 17 15.502 -6.548 2.412 125 HE2 TYR 17 HE2 TYR 17 13.046 -3.481 4.075 126 HH TYR 17 HH TYR 17 14.759 -4.611 5.198 127 H ALA 18 H ALA 18 14.431 -4.171 -0.684 128 HA ALA 18 HA ALA 18 14.418 -1.906 0.972 129 1HB ALA 18 1HB ALA 18 16.831 -1.771 0.475 130 2HB ALA 18 2HB ALA 18 16.314 -3.403 0.901 131 3HB ALA 18 3HB ALA 18 16.618 -2.986 -0.785 132 H ALA 19 H ALA 19 14.724 -2.238 -2.531 133 HA ALA 19 HA ALA 19 15.217 0.553 -2.970 134 1HB ALA 19 1HB ALA 19 14.708 -1.806 -4.729 135 2HB ALA 19 2HB ALA 19 14.614 -0.176 -5.397 136 3HB ALA 19 3HB ALA 19 16.111 -0.741 -4.656 137 H HIS 20 H HIS 20 12.418 -1.445 -2.628 138 HA HIS 20 HA HIS 20 10.596 0.335 -3.947 139 1HB HIS 20 1HB HIS 20 10.300 -2.115 -2.242 140 2HB HIS 20 2HB HIS 20 8.892 -1.124 -2.611 141 HD1 HIS 20 HD1 HIS 20 9.448 -0.477 -5.556 142 HD2 HIS 20 HD2 HIS 20 9.911 -4.250 -3.880 143 HE1 HIS 20 HE1 HIS 20 9.267 -2.092 -7.475 144 H SER 21 H SER 21 11.906 0.019 -0.755 145 HA SER 21 HA SER 21 9.906 1.786 0.409 146 1HB SER 21 1HB SER 21 10.657 -0.096 1.764 147 2HB SER 21 2HB SER 21 12.331 0.442 1.627 148 HG SER 21 HG SER 21 10.468 2.258 2.628 149 H GLY 22 H GLY 22 13.479 1.748 0.379 150 1HA GLY 22 1HA GLY 22 14.638 3.679 -0.611 151 2HA GLY 22 2HA GLY 22 13.383 4.688 0.093 152 H PHE 23 H PHE 23 14.584 2.045 1.957 153 HA PHE 23 HA PHE 23 16.158 3.932 3.584 154 1HB PHE 23 1HB PHE 23 15.341 2.999 5.562 155 2HB PHE 23 2HB PHE 23 13.918 3.017 4.525 156 HD1 PHE 23 HD1 PHE 23 15.799 1.082 6.728 157 HD2 PHE 23 HD2 PHE 23 13.613 0.809 3.086 158 HE1 PHE 23 HE1 PHE 23 15.519 -1.337 7.081 159 HE2 PHE 23 HE2 PHE 23 13.329 -1.610 3.434 160 HZ PHE 23 HZ PHE 23 14.281 -2.686 5.434 161 H THR 24 H THR 24 17.724 2.722 5.071 162 HA THR 24 HA THR 24 19.143 0.737 3.436 163 HB THR 24 HB THR 24 20.273 2.292 5.765 164 HG1 THR 24 HG1 THR 24 20.865 3.845 4.356 165 1HG2 THR 24 1HG2 THR 24 21.617 0.398 5.284 166 2HG2 THR 24 2HG2 THR 24 22.421 1.771 4.524 167 3HG2 THR 24 3HG2 THR 24 21.476 0.649 3.545 168 H LEU 25 H LEU 25 20.016 -1.141 4.381 169 HA LEU 25 HA LEU 25 19.092 -1.812 7.080 170 1HB LEU 25 1HB LEU 25 17.434 -2.693 5.514 171 2HB LEU 25 2HB LEU 25 18.706 -3.552 4.648 172 HG LEU 25 HG LEU 25 18.993 -4.527 7.186 173 1HD1 LEU 25 1HD1 LEU 25 16.972 -3.363 7.933 174 2HD1 LEU 25 2HD1 LEU 25 16.777 -5.114 7.988 175 3HD1 LEU 25 3HD1 LEU 25 16.039 -4.187 6.682 176 1HD2 LEU 25 1HD2 LEU 25 19.061 -5.928 5.280 177 2HD2 LEU 25 2HD2 LEU 25 17.399 -5.534 4.840 178 3HD2 LEU 25 3HD2 LEU 25 17.725 -6.509 6.274 179 H SER 26 H SER 26 20.542 -2.923 8.259 180 HA SER 26 HA SER 26 22.877 -4.049 6.858 181 1HB SER 26 1HB SER 26 22.759 -2.000 8.935 182 2HB SER 26 2HB SER 26 23.809 -3.347 9.374 183 HG SER 26 HG SER 26 24.000 -1.577 7.194 184 H VAL 27 H VAL 27 22.501 -6.185 6.990 185 HA VAL 27 HA VAL 27 22.169 -7.325 9.682 186 HB VAL 27 HB VAL 27 20.004 -7.541 8.709 187 1HG1 VAL 27 1HG1 VAL 27 21.524 -8.301 6.259 188 2HG1 VAL 27 2HG1 VAL 27 19.890 -8.927 6.488 189 3HG1 VAL 27 3HG1 VAL 27 20.170 -7.186 6.444 190 1HG2 VAL 27 1HG2 VAL 27 21.336 -9.623 9.692 191 2HG2 VAL 27 2HG2 VAL 27 19.680 -9.759 9.102 192 3HG2 VAL 27 3HG2 VAL 27 21.025 -10.251 8.074 193 H ASP 28 H ASP 28 23.398 -9.084 10.132 194 HA ASP 28 HA ASP 28 25.692 -9.611 8.636 195 1HB ASP 28 1HB ASP 28 24.301 -11.132 10.830 196 2HB ASP 28 2HB ASP 28 25.776 -11.741 10.085 197 H ALA 29 H ALA 29 25.413 -10.184 6.535 198 HA ALA 29 HA ALA 29 23.485 -12.107 5.676 199 1HB ALA 29 1HB ALA 29 25.803 -11.531 3.937 200 2HB ALA 29 2HB ALA 29 24.077 -11.529 3.571 201 3HB ALA 29 3HB ALA 29 24.804 -10.154 4.402 202 H SER 30 H SER 30 26.447 -12.407 7.214 203 HA SER 30 HA SER 30 27.664 -14.582 5.984 204 1HB SER 30 1HB SER 30 28.744 -13.323 7.779 205 2HB SER 30 2HB SER 30 27.549 -13.910 8.935 206 HG SER 30 HG SER 30 29.775 -15.153 7.924 207 H LEU 31 H LEU 31 25.209 -14.560 8.555 208 HA LEU 31 HA LEU 31 24.966 -17.440 8.479 209 1HB LEU 31 1HB LEU 31 23.047 -15.641 9.894 210 2HB LEU 31 2HB LEU 31 23.595 -17.257 10.336 211 HG LEU 31 HG LEU 31 25.907 -15.869 10.563 212 1HD1 LEU 31 1HD1 LEU 31 24.281 -13.815 10.102 213 2HD1 LEU 31 2HD1 LEU 31 25.660 -13.706 11.195 214 3HD1 LEU 31 3HD1 LEU 31 24.039 -13.961 11.843 215 1HD2 LEU 31 1HD2 LEU 31 23.801 -16.801 12.380 216 2HD2 LEU 31 2HD2 LEU 31 24.878 -15.582 13.061 217 3HD2 LEU 31 3HD2 LEU 31 25.541 -17.084 12.415 218 H THR 32 H THR 32 23.049 -14.629 7.516 219 HA THR 32 HA THR 32 20.711 -15.914 6.741 220 HB THR 32 HB THR 32 21.984 -13.480 5.474 221 HG1 THR 32 HG1 THR 32 20.062 -13.750 7.566 222 1HG2 THR 32 1HG2 THR 32 20.343 -13.783 3.956 223 2HG2 THR 32 2HG2 THR 32 19.296 -13.154 5.229 224 3HG2 THR 32 3HG2 THR 32 19.451 -14.895 4.993 225 H ARG 33 H ARG 33 23.623 -15.224 4.822 226 HA ARG 33 HA ARG 33 22.799 -16.158 2.362 227 1HB ARG 33 1HB ARG 33 25.097 -16.391 1.789 228 2HB ARG 33 2HB ARG 33 24.994 -15.048 2.921 229 1HG ARG 33 1HG ARG 33 26.688 -16.067 3.959 230 2HG ARG 33 2HG ARG 33 25.442 -17.139 4.601 231 1HD ARG 33 1HD ARG 33 26.904 -18.678 3.747 232 2HD ARG 33 2HD ARG 33 25.855 -18.432 2.351 233 HE ARG 33 HE ARG 33 27.913 -16.598 2.123 234 1HH1 ARG 33 2HH1 ARG 33 27.560 -20.060 2.222 235 2HH1 ARG 33 1HH1 ARG 33 28.949 -20.361 1.231 236 1HH2 ARG 33 2HH2 ARG 33 29.744 -16.981 0.817 237 2HH2 ARG 33 1HH2 ARG 33 30.191 -18.608 0.433 238 H GLY 34 H GLY 34 22.471 -18.107 1.439 239 1HA GLY 34 1HA GLY 34 23.393 -20.514 1.581 240 2HA GLY 34 2HA GLY 34 22.712 -20.452 3.200 241 H LYS 35 H LYS 35 20.346 -19.080 2.693 242 HA LYS 35 HA LYS 35 18.933 -20.922 0.877 243 1HB LYS 35 1HB LYS 35 17.116 -21.086 2.394 244 2HB LYS 35 2HB LYS 35 18.571 -21.344 3.347 245 1HG LYS 35 1HG LYS 35 18.209 -18.638 3.551 246 2HG LYS 35 2HG LYS 35 16.554 -19.250 3.533 247 1HD LYS 35 1HD LYS 35 16.776 -20.290 5.535 248 2HD LYS 35 2HD LYS 35 18.467 -20.707 5.250 249 1HE LYS 35 1HE LYS 35 19.178 -18.497 5.811 250 2HE LYS 35 2HE LYS 35 17.515 -17.914 5.857 251 1HZ LYS 35 1HZ LYS 35 17.901 -18.234 8.063 252 2HZ LYS 35 2HZ LYS 35 18.978 -19.516 7.823 253 3HZ LYS 35 3HZ LYS 35 17.313 -19.772 7.674 254 H GLN 36 H GLN 36 16.615 -20.005 0.446 255 HA GLN 36 HA GLN 36 17.008 -17.293 -0.563 256 1HB GLN 36 1HB GLN 36 14.867 -19.344 -1.149 257 2HB GLN 36 2HB GLN 36 14.955 -17.752 -1.889 258 1HG GLN 36 1HG GLN 36 15.899 -19.149 -3.476 259 2HG GLN 36 2HG GLN 36 17.295 -18.450 -2.658 260 1HE2 GLN 36 2HE2 GLN 36 18.826 -19.926 -2.576 261 2HE2 GLN 36 1HE2 GLN 36 18.623 -21.578 -2.112 262 H SER 37 H SER 37 14.776 -16.044 -0.670 263 HA SER 37 HA SER 37 13.619 -16.103 2.041 264 1HB SER 37 1HB SER 37 15.065 -14.153 1.792 265 2HB SER 37 2HB SER 37 14.220 -13.687 0.317 266 HG SER 37 HG SER 37 12.329 -13.423 1.593 267 H ASN 38 H ASN 38 11.421 -15.500 2.248 268 HA ASN 38 HA ASN 38 9.790 -16.358 0.058 269 1HB ASN 38 1HB ASN 38 9.412 -16.570 2.657 270 2HB ASN 38 2HB ASN 38 8.646 -14.996 2.466 271 1HD2 ASN 38 2HD2 ASN 38 8.363 -18.365 2.017 272 2HD2 ASN 38 1HD2 ASN 38 6.782 -18.372 1.321 273 H GLY 39 H GLY 39 9.366 -15.094 -1.627 274 1HA GLY 39 1HA GLY 39 9.746 -12.351 -1.794 275 2HA GLY 39 2HA GLY 39 8.697 -13.276 -2.858 276 H LEU 40 H LEU 40 8.178 -10.629 -2.095 277 HA LEU 40 HA LEU 40 6.064 -10.801 -0.085 278 1HB LEU 40 1HB LEU 40 7.803 -8.940 -0.173 279 2HB LEU 40 2HB LEU 40 6.928 -8.342 -1.581 280 HG LEU 40 HG LEU 40 4.957 -7.949 -0.236 281 1HD1 LEU 40 1HD1 LEU 40 6.272 -9.743 1.581 282 2HD1 LEU 40 2HD1 LEU 40 4.602 -9.180 1.574 283 3HD1 LEU 40 3HD1 LEU 40 5.845 -8.240 2.400 284 1HD2 LEU 40 1HD2 LEU 40 7.330 -6.845 1.251 285 2HD2 LEU 40 2HD2 LEU 40 5.739 -6.113 1.047 286 3HD2 LEU 40 3HD2 LEU 40 6.825 -6.264 -0.336 287 H HIS 41 H HIS 41 3.938 -9.963 -0.518 288 HA HIS 41 HA HIS 41 3.105 -9.450 -3.214 289 1HB HIS 41 1HB HIS 41 3.221 -12.131 -2.480 290 2HB HIS 41 2HB HIS 41 1.526 -11.704 -2.269 291 HD1 HIS 41 HD1 HIS 41 0.136 -11.372 -4.358 292 HD2 HIS 41 HD2 HIS 41 4.182 -11.868 -5.159 293 HE1 HIS 41 HE1 HIS 41 0.298 -11.655 -6.851 294 H GLY 42 H GLY 42 2.026 -7.645 -2.618 295 1HA GLY 42 1HA GLY 42 -0.409 -7.201 -2.034 296 2HA GLY 42 2HA GLY 42 0.007 -7.909 -0.481 297 H ASP 43 H ASP 43 -1.001 -5.594 -0.116 298 HA ASP 43 HA ASP 43 0.904 -3.438 -0.364 299 1HB ASP 43 1HB ASP 43 -1.666 -3.425 1.220 300 2HB ASP 43 2HB ASP 43 -0.790 -2.039 0.577 301 H TYR 44 H TYR 44 2.663 -3.643 0.897 302 HA TYR 44 HA TYR 44 2.220 -3.795 3.793 303 1HB TYR 44 1HB TYR 44 4.295 -5.383 2.268 304 2HB TYR 44 2HB TYR 44 4.198 -5.272 4.022 305 HD1 TYR 44 HD1 TYR 44 3.235 -7.139 1.193 306 HD2 TYR 44 HD2 TYR 44 1.898 -5.988 5.065 307 HE1 TYR 44 HE1 TYR 44 1.690 -9.053 1.222 308 HE2 TYR 44 HE2 TYR 44 0.350 -7.899 5.105 309 HH TYR 44 HH TYR 44 -0.434 -9.657 4.007 310 H ASP 45 H ASP 45 3.259 -2.252 4.873 311 HA ASP 45 HA ASP 45 4.730 -0.244 3.571 312 1HB ASP 45 1HB ASP 45 4.634 -0.905 6.523 313 2HB ASP 45 2HB ASP 45 5.209 0.609 5.830 314 H VAL 46 H VAL 46 6.944 0.403 4.865 315 HA VAL 46 HA VAL 46 8.923 -1.240 3.773 316 HB VAL 46 HB VAL 46 9.417 1.063 4.247 317 1HG1 VAL 46 1HG1 VAL 46 9.265 0.460 7.191 318 2HG1 VAL 46 2HG1 VAL 46 9.454 2.031 6.410 319 3HG1 VAL 46 3HG1 VAL 46 7.926 1.158 6.281 320 1HG2 VAL 46 1HG2 VAL 46 11.221 -0.730 4.427 321 2HG2 VAL 46 2HG2 VAL 46 11.583 0.846 5.131 322 3HG2 VAL 46 3HG2 VAL 46 11.115 -0.498 6.172 323 H GLU 47 H GLU 47 7.777 -0.970 7.126 324 HA GLU 47 HA GLU 47 9.546 -2.998 8.098 325 1HB GLU 47 1HB GLU 47 7.119 -1.662 9.294 326 2HB GLU 47 2HB GLU 47 8.064 -2.875 10.147 327 1HG GLU 47 1HG GLU 47 10.016 -1.473 10.082 328 2HG GLU 47 2HG GLU 47 9.172 -0.286 9.088 329 H SER 48 H SER 48 6.033 -2.885 7.516 330 HA SER 48 HA SER 48 5.418 -5.499 8.194 331 1HB SER 48 1HB SER 48 3.978 -3.398 7.272 332 2HB SER 48 2HB SER 48 3.989 -4.422 5.837 333 HG SER 48 HG SER 48 2.337 -4.671 7.732 334 H GLY 49 H GLY 49 6.258 -4.225 4.972 335 1HA GLY 49 1HA GLY 49 6.181 -6.707 3.640 336 2HA GLY 49 2HA GLY 49 7.038 -5.276 3.086 337 H LEU 50 H LEU 50 8.862 -4.974 5.183 338 HA LEU 50 HA LEU 50 10.927 -6.675 4.376 339 1HB LEU 50 1HB LEU 50 11.734 -4.754 5.301 340 2HB LEU 50 2HB LEU 50 10.520 -4.730 6.578 341 HG LEU 50 HG LEU 50 11.753 -6.463 7.787 342 1HD1 LEU 50 1HD1 LEU 50 12.873 -7.062 5.361 343 2HD1 LEU 50 2HD1 LEU 50 13.429 -7.659 6.925 344 3HD1 LEU 50 3HD1 LEU 50 14.191 -6.243 6.200 345 1HD2 LEU 50 1HD2 LEU 50 12.373 -3.820 7.608 346 2HD2 LEU 50 2HD2 LEU 50 13.933 -4.571 7.270 347 3HD2 LEU 50 3HD2 LEU 50 13.079 -4.944 8.769 348 H GLN 51 H GLN 51 8.902 -6.762 7.293 349 HA GLN 51 HA GLN 51 10.132 -9.030 8.440 350 1HB GLN 51 1HB GLN 51 7.303 -8.036 8.824 351 2HB GLN 51 2HB GLN 51 8.169 -9.136 9.889 352 1HG GLN 51 1HG GLN 51 9.540 -6.597 9.395 353 2HG GLN 51 2HG GLN 51 7.993 -6.450 10.226 354 1HE2 GLN 51 2HE2 GLN 51 10.865 -8.539 10.300 355 2HE2 GLN 51 1HE2 GLN 51 11.004 -8.574 12.021 356 H GLN 52 H GLN 52 7.790 -8.651 5.929 357 HA GLN 52 HA GLN 52 6.735 -11.313 6.076 358 1HB GLN 52 1HB GLN 52 6.337 -8.933 4.417 359 2HB GLN 52 2HB GLN 52 6.216 -10.439 3.518 360 1HG GLN 52 1HG GLN 52 4.611 -9.630 5.929 361 2HG GLN 52 2HG GLN 52 4.038 -9.801 4.271 362 1HE2 GLN 52 2HE2 GLN 52 4.846 -12.112 3.399 363 2HE2 GLN 52 1HE2 GLN 52 4.329 -13.422 4.400 364 H LEU 53 H LEU 53 9.450 -9.789 4.554 365 HA LEU 53 HA LEU 53 9.925 -11.813 2.597 366 1HB LEU 53 1HB LEU 53 11.142 -9.331 3.450 367 2HB LEU 53 2HB LEU 53 12.357 -10.568 3.131 368 HG LEU 53 HG LEU 53 11.818 -10.692 0.873 369 1HD1 LEU 53 1HD1 LEU 53 9.599 -10.973 0.560 370 2HD1 LEU 53 2HD1 LEU 53 9.672 -9.256 0.166 371 3HD1 LEU 53 3HD1 LEU 53 9.161 -9.770 1.773 372 1HD2 LEU 53 1HD2 LEU 53 11.147 -7.809 1.280 373 2HD2 LEU 53 2HD2 LEU 53 12.206 -8.559 0.085 374 3HD2 LEU 53 3HD2 LEU 53 12.729 -8.421 1.764 375 H LEU 54 H LEU 54 11.576 -10.993 5.652 376 HA LEU 54 HA LEU 54 13.061 -13.459 5.628 377 1HB LEU 54 1HB LEU 54 14.295 -12.566 7.296 378 2HB LEU 54 2HB LEU 54 13.594 -11.072 6.674 379 HG LEU 54 HG LEU 54 13.387 -10.860 8.979 380 1HD1 LEU 54 1HD1 LEU 54 11.129 -11.008 7.459 381 2HD1 LEU 54 2HD1 LEU 54 11.198 -10.427 9.123 382 3HD1 LEU 54 3HD1 LEU 54 10.744 -12.099 8.790 383 1HD2 LEU 54 1HD2 LEU 54 12.029 -13.317 9.692 384 2HD2 LEU 54 2HD2 LEU 54 13.450 -12.561 10.414 385 3HD2 LEU 54 3HD2 LEU 54 13.629 -13.621 9.015 386 H ASP 55 H ASP 55 9.931 -12.728 6.372 387 HA ASP 55 HA ASP 55 9.303 -13.915 8.758 388 1HB ASP 55 1HB ASP 55 7.484 -12.968 7.670 389 2HB ASP 55 2HB ASP 55 7.862 -13.751 6.138 390 H GLY 56 H GLY 56 9.834 -15.824 9.578 391 1HA GLY 56 1HA GLY 56 9.133 -18.291 8.747 392 2HA GLY 56 2HA GLY 56 10.617 -18.010 7.849 393 H SER 57 H SER 57 11.726 -16.377 10.072 394 HA SER 57 HA SER 57 12.467 -18.621 11.828 395 1HB SER 57 1HB SER 57 14.522 -17.093 12.272 396 2HB SER 57 2HB SER 57 14.438 -17.973 10.745 397 HG SER 57 HG SER 57 13.475 -15.328 11.027 398 H GLY 58 H GLY 58 11.672 -15.178 11.755 399 1HA GLY 58 1HA GLY 58 10.427 -14.036 13.381 400 2HA GLY 58 2HA GLY 58 10.669 -15.385 14.481 401 H LEU 59 H LEU 59 11.924 -12.374 13.312 402 HA LEU 59 HA LEU 59 13.792 -12.329 15.572 403 1HB LEU 59 1HB LEU 59 14.414 -11.748 12.697 404 2HB LEU 59 2HB LEU 59 15.358 -11.030 14.000 405 HG LEU 59 HG LEU 59 15.387 -13.708 14.629 406 1HD1 LEU 59 1HD1 LEU 59 14.341 -14.136 12.390 407 2HD1 LEU 59 2HD1 LEU 59 15.882 -14.947 12.665 408 3HD1 LEU 59 3HD1 LEU 59 15.814 -13.501 11.657 409 1HD2 LEU 59 1HD2 LEU 59 17.417 -12.770 14.891 410 2HD2 LEU 59 2HD2 LEU 59 17.237 -11.727 13.480 411 3HD2 LEU 59 3HD2 LEU 59 17.703 -13.416 13.275 412 H GLN 60 H GLN 60 14.710 -9.993 15.785 413 HA GLN 60 HA GLN 60 12.427 -8.154 15.532 414 1HB GLN 60 1HB GLN 60 13.136 -7.064 17.495 415 2HB GLN 60 2HB GLN 60 13.327 -8.778 17.838 416 1HG GLN 60 1HG GLN 60 15.773 -8.093 16.806 417 2HG GLN 60 2HG GLN 60 15.314 -6.658 17.722 418 1HE2 GLN 60 2HE2 GLN 60 16.234 -9.975 17.867 419 2HE2 GLN 60 1HE2 GLN 60 16.381 -10.083 19.584 420 H VAL 61 H VAL 61 12.728 -6.065 14.776 421 HA VAL 61 HA VAL 61 15.362 -5.486 13.589 422 HB VAL 61 HB VAL 61 12.783 -4.633 12.297 423 1HG1 VAL 61 1HG1 VAL 61 15.072 -5.148 10.600 424 2HG1 VAL 61 2HG1 VAL 61 14.090 -3.690 10.760 425 3HG1 VAL 61 3HG1 VAL 61 15.440 -3.970 11.860 426 1HG2 VAL 61 1HG2 VAL 61 13.975 -7.294 12.362 427 2HG2 VAL 61 2HG2 VAL 61 12.372 -6.784 11.833 428 3HG2 VAL 61 3HG2 VAL 61 13.741 -6.673 10.728 429 H LYS 62 H LYS 62 16.210 -3.645 14.283 430 HA LYS 62 HA LYS 62 14.420 -1.444 15.046 431 1HB LYS 62 1HB LYS 62 16.112 -0.965 16.917 432 2HB LYS 62 2HB LYS 62 14.979 -2.287 17.160 433 1HG LYS 62 1HG LYS 62 17.455 -3.136 15.890 434 2HG LYS 62 2HG LYS 62 17.700 -2.412 17.481 435 1HD LYS 62 1HD LYS 62 15.574 -4.008 17.981 436 2HD LYS 62 2HD LYS 62 16.394 -4.943 16.728 437 1HE LYS 62 1HE LYS 62 17.583 -3.960 19.320 438 2HE LYS 62 2HE LYS 62 17.178 -5.627 18.912 439 1HZ LYS 62 1HZ LYS 62 18.800 -5.295 16.985 440 2HZ LYS 62 2HZ LYS 62 19.449 -5.489 18.535 441 3HZ LYS 62 3HZ LYS 62 19.358 -3.948 17.843 442 HA PRO 63 HA PRO 63 17.093 0.980 12.523 443 1HB PRO 63 1HB PRO 63 16.530 3.435 13.535 444 2HB PRO 63 2HB PRO 63 15.409 2.542 12.501 445 1HG PRO 63 1HG PRO 63 15.435 2.804 15.483 446 2HG PRO 63 2HG PRO 63 14.060 2.878 14.365 447 1HD PRO 63 1HD PRO 63 14.653 0.660 15.800 448 2HD PRO 63 2HD PRO 63 13.922 0.585 14.184 449 H LEU 64 H LEU 64 18.954 2.383 12.621 450 HA LEU 64 HA LEU 64 20.281 2.431 15.249 451 1HB LEU 64 1HB LEU 64 21.864 2.115 12.741 452 2HB LEU 64 2HB LEU 64 22.275 1.654 14.392 453 HG LEU 64 HG LEU 64 20.238 0.225 12.687 454 1HD1 LEU 64 1HD1 LEU 64 22.417 -0.021 11.680 455 2HD1 LEU 64 2HD1 LEU 64 21.961 -1.526 12.477 456 3HD1 LEU 64 3HD1 LEU 64 23.125 -0.443 13.239 457 1HD2 LEU 64 1HD2 LEU 64 19.639 -0.538 14.710 458 2HD2 LEU 64 2HD2 LEU 64 21.131 0.015 15.472 459 3HD2 LEU 64 3HD2 LEU 64 21.104 -1.512 14.589 460 H GLY 65 H GLY 65 20.827 3.671 11.941 461 1HA GLY 65 1HA GLY 65 21.155 6.354 13.134 462 2HA GLY 65 2HA GLY 65 22.235 5.756 11.884 463 H ASN 66 H ASN 66 21.794 6.367 9.877 464 HA ASN 66 HA ASN 66 19.422 7.852 9.291 465 1HB ASN 66 1HB ASN 66 21.988 7.594 8.168 466 2HB ASN 66 2HB ASN 66 20.868 7.046 6.925 467 1HD2 ASN 66 2HD2 ASN 66 19.220 8.484 6.221 468 2HD2 ASN 66 1HD2 ASN 66 19.426 10.193 6.369 469 H ASN 67 H ASN 67 17.672 6.466 9.554 470 HA ASN 67 HA ASN 67 16.198 4.783 9.075 471 1HB ASN 67 1HB ASN 67 16.722 6.315 6.786 472 2HB ASN 67 2HB ASN 67 16.721 4.643 6.231 473 1HD2 ASN 67 2HD2 ASN 67 14.860 3.435 7.698 474 2HD2 ASN 67 1HD2 ASN 67 13.308 4.156 7.458 475 H SER 68 H SER 68 18.924 3.926 9.678 476 HA SER 68 HA SER 68 19.272 1.574 7.976 477 1HB SER 68 1HB SER 68 21.189 1.647 10.088 478 2HB SER 68 2HB SER 68 21.451 1.911 8.364 479 HG SER 68 HG SER 68 21.762 3.672 10.211 480 H TRP 69 H TRP 69 18.170 -0.182 8.515 481 HA TRP 69 HA TRP 69 17.629 -0.702 11.359 482 1HB TRP 69 1HB TRP 69 16.245 -1.762 8.885 483 2HB TRP 69 2HB TRP 69 15.836 -2.212 10.539 484 HD1 TRP 69 HD1 TRP 69 16.230 1.191 8.684 485 HE1 TRP 69 HE1 TRP 69 14.236 2.677 9.347 486 HE3 TRP 69 HE3 TRP 69 13.826 -2.037 11.835 487 HZ2 TRP 69 HZ2 TRP 69 11.946 2.503 10.989 488 HZ3 TRP 69 HZ3 TRP 69 11.740 -1.300 12.912 489 HH2 TRP 69 HH2 TRP 69 10.821 0.924 12.497 490 H THR 70 H THR 70 17.976 -2.770 12.228 491 HA THR 70 HA THR 70 19.573 -4.617 10.592 492 HB THR 70 HB THR 70 21.089 -3.233 12.016 493 HG1 THR 70 HG1 THR 70 21.954 -5.293 13.117 494 1HG2 THR 70 1HG2 THR 70 19.616 -2.914 13.935 495 2HG2 THR 70 2HG2 THR 70 21.129 -3.670 14.435 496 3HG2 THR 70 3HG2 THR 70 19.667 -4.643 14.277 497 H LEU 71 H LEU 71 19.584 -6.810 11.344 498 HA LEU 71 HA LEU 71 17.155 -7.469 12.851 499 1HB LEU 71 1HB LEU 71 18.658 -8.735 10.657 500 2HB LEU 71 2HB LEU 71 18.001 -9.838 11.864 501 HG LEU 71 HG LEU 71 16.561 -9.494 9.849 502 1HD1 LEU 71 1HD1 LEU 71 15.625 -8.937 12.633 503 2HD1 LEU 71 2HD1 LEU 71 15.415 -10.384 11.647 504 3HD1 LEU 71 3HD1 LEU 71 14.482 -8.931 11.289 505 1HD2 LEU 71 1HD2 LEU 71 17.009 -7.121 9.502 506 2HD2 LEU 71 2HD2 LEU 71 16.210 -6.739 11.028 507 3HD2 LEU 71 3HD2 LEU 71 15.281 -7.420 9.692 508 H GLU 72 H GLU 72 17.181 -8.925 14.566 509 HA GLU 72 HA GLU 72 19.754 -9.918 15.511 510 1HB GLU 72 1HB GLU 72 18.111 -7.838 16.877 511 2HB GLU 72 2HB GLU 72 18.913 -9.045 17.872 512 1HG GLU 72 1HG GLU 72 20.235 -7.174 15.922 513 2HG GLU 72 2HG GLU 72 20.277 -7.062 17.681 514 HA PRO 73 HA PRO 73 17.442 -13.409 16.820 515 1HB PRO 73 1HB PRO 73 18.799 -14.181 19.041 516 2HB PRO 73 2HB PRO 73 19.440 -14.380 17.406 517 1HG PRO 73 1HG PRO 73 20.032 -12.253 19.427 518 2HG PRO 73 2HG PRO 73 21.149 -13.126 18.362 519 1HD PRO 73 1HD PRO 73 20.276 -10.621 17.818 520 2HD PRO 73 2HD PRO 73 20.652 -11.799 16.544 521 H ALA 74 H ALA 74 15.477 -13.392 17.695 522 HA ALA 74 HA ALA 74 15.027 -11.877 20.171 523 1HB ALA 74 1HB ALA 74 13.250 -11.093 19.100 524 2HB ALA 74 2HB ALA 74 13.529 -12.191 17.748 525 3HB ALA 74 3HB ALA 74 12.562 -12.718 19.126 526 HA PRO 75 HA PRO 75 14.213 -15.441 22.597 527 1HB PRO 75 1HB PRO 75 12.104 -14.647 24.111 528 2HB PRO 75 2HB PRO 75 13.743 -14.026 24.345 529 1HG PRO 75 1HG PRO 75 11.437 -12.786 22.893 530 2HG PRO 75 2HG PRO 75 12.599 -12.031 24.000 531 1HD PRO 75 1HD PRO 75 12.799 -11.816 21.308 532 2HD PRO 75 2HD PRO 75 14.220 -11.846 22.371 533 H ALA 76 H ALA 76 12.600 -17.096 23.148 534 HA ALA 76 HA ALA 76 10.783 -17.535 20.909 535 1HB ALA 76 1HB ALA 76 12.422 -19.207 22.508 536 2HB ALA 76 2HB ALA 76 10.747 -19.715 22.727 537 3HB ALA 76 3HB ALA 76 11.441 -19.642 21.108 538 HA PRO 77 HA PRO 77 7.042 -16.799 23.080 539 1HB PRO 77 1HB PRO 77 5.437 -18.793 22.173 540 2HB PRO 77 2HB PRO 77 5.923 -17.420 21.171 541 1HG PRO 77 1HG PRO 77 7.047 -20.193 21.258 542 2HG PRO 77 2HG PRO 77 6.686 -19.175 19.851 543 1HD PRO 77 1HD PRO 77 9.192 -19.468 20.834 544 2HD PRO 77 2HD PRO 77 8.636 -17.966 20.069 545 H LYS 78 H LYS 78 5.438 -17.736 24.586 546 HA LYS 78 HA LYS 78 6.759 -19.499 26.470 547 1HB LYS 78 1HB LYS 78 4.860 -18.971 27.947 548 2HB LYS 78 2HB LYS 78 5.629 -17.518 27.321 549 1HG LYS 78 1HG LYS 78 3.517 -18.303 25.563 550 2HG LYS 78 2HG LYS 78 2.913 -18.223 27.220 551 1HD LYS 78 1HD LYS 78 3.152 -15.983 27.332 552 2HD LYS 78 2HD LYS 78 4.658 -15.996 26.411 553 1HE LYS 78 1HE LYS 78 3.102 -16.590 24.408 554 2HE LYS 78 2HE LYS 78 1.832 -15.925 25.434 555 1HZ LYS 78 1HZ LYS 78 2.442 -13.923 24.757 556 2HZ LYS 78 2HZ LYS 78 3.745 -14.553 23.881 557 3HZ LYS 78 3HZ LYS 78 3.944 -14.130 25.507 558 H GLU 79 H GLU 79 5.120 -20.107 23.770 559 HA GLU 79 HA GLU 79 4.167 -22.679 24.772 560 1HB GLU 79 1HB GLU 79 2.292 -20.860 24.582 561 2HB GLU 79 2HB GLU 79 2.415 -21.181 22.858 562 1HG GLU 79 1HG GLU 79 1.717 -23.400 23.105 563 2HG GLU 79 2HG GLU 79 2.003 -23.386 24.844 564 H ASP 80 H ASP 80 5.498 -23.976 23.665 565 HA ASP 80 HA ASP 80 5.363 -23.896 20.749 566 1HB ASP 80 1HB ASP 80 7.798 -24.140 20.525 567 2HB ASP 80 2HB ASP 80 7.376 -22.616 21.301 568 H ALA 81 H ALA 81 5.519 -25.881 19.777 569 HA ALA 81 HA ALA 81 4.886 -28.157 21.291 570 1HB ALA 81 1HB ALA 81 6.103 -28.695 18.683 571 2HB ALA 81 2HB ALA 81 4.510 -29.126 19.305 572 3HB ALA 81 3HB ALA 81 4.792 -27.516 18.645 573 H LEU 82 H LEU 82 6.260 -30.282 20.780 574 HA LEU 82 HA LEU 82 8.588 -30.087 22.353 575 1HB LEU 82 1HB LEU 82 7.212 -32.118 22.149 576 2HB LEU 82 2HB LEU 82 7.757 -32.302 20.483 577 HG LEU 82 HG LEU 82 10.094 -32.539 21.381 578 1HD1 LEU 82 1HD1 LEU 82 9.860 -33.435 23.887 579 2HD1 LEU 82 2HD1 LEU 82 8.598 -32.204 23.908 580 3HD1 LEU 82 3HD1 LEU 82 10.255 -31.760 23.499 581 1HD2 LEU 82 1HD2 LEU 82 8.396 -34.680 22.573 582 2HD2 LEU 82 2HD2 LEU 82 9.868 -34.812 21.610 583 3HD2 LEU 82 3HD2 LEU 82 8.338 -34.404 20.832 584 H THR 83 H THR 83 10.281 -28.921 21.670 585 HA THR 83 HA THR 83 11.434 -29.611 19.049 586 HB THR 83 HB THR 83 10.369 -27.374 18.949 587 HG1 THR 83 HG1 THR 83 12.344 -27.910 17.767 588 1HG2 THR 83 1HG2 THR 83 11.307 -27.050 21.503 589 2HG2 THR 83 2HG2 THR 83 10.707 -25.753 20.469 590 3HG2 THR 83 3HG2 THR 83 12.438 -26.076 20.564 591 H VAL 84 H VAL 84 13.775 -29.018 18.896 592 HA VAL 84 HA VAL 84 15.197 -30.145 21.080 593 HB VAL 84 HB VAL 84 16.365 -28.604 18.762 594 1HG1 VAL 84 1HG1 VAL 84 18.318 -30.075 19.164 595 2HG1 VAL 84 2HG1 VAL 84 17.965 -29.001 20.520 596 3HG1 VAL 84 3HG1 VAL 84 17.509 -30.704 20.599 597 1HG2 VAL 84 1HG2 VAL 84 15.098 -31.255 18.894 598 2HG2 VAL 84 2HG2 VAL 84 15.345 -30.182 17.517 599 3HG2 VAL 84 3HG2 VAL 84 16.664 -31.206 18.085 600 H VAL 85 H VAL 85 16.074 -29.211 22.810 601 HA VAL 85 HA VAL 85 16.212 -26.268 22.877 602 HB VAL 85 HB VAL 85 16.148 -26.553 25.386 603 1HG1 VAL 85 1HG1 VAL 85 13.647 -27.145 25.358 604 2HG1 VAL 85 2HG1 VAL 85 14.182 -25.748 24.422 605 3HG1 VAL 85 3HG1 VAL 85 13.843 -27.278 23.610 606 1HG2 VAL 85 1HG2 VAL 85 15.209 -29.334 24.697 607 2HG2 VAL 85 2HG2 VAL 85 16.792 -28.951 25.372 608 3HG2 VAL 85 3HG2 VAL 85 15.333 -28.624 26.306 609 H GLY 86 H GLY 86 18.344 -27.079 21.693 610 1HA GLY 86 1HA GLY 86 20.458 -28.157 23.183 611 2HA GLY 86 2HA GLY 86 20.636 -27.140 21.760 612 H ASP 87 H ASP 87 22.525 -26.915 23.642 613 HA ASP 87 HA ASP 87 21.879 -24.361 24.963 614 1HB ASP 87 1HB ASP 87 22.186 -26.234 26.577 615 2HB ASP 87 2HB ASP 87 23.824 -26.448 25.965 616 H TRP 88 H TRP 88 23.702 -22.898 25.242 617 HA TRP 88 HA TRP 88 25.953 -23.368 23.428 618 1HB TRP 88 1HB TRP 88 24.009 -22.009 22.364 619 2HB TRP 88 2HB TRP 88 24.567 -20.702 23.405 620 HD1 TRP 88 HD1 TRP 88 26.368 -19.196 22.388 621 HE1 TRP 88 HE1 TRP 88 28.020 -19.368 20.421 622 HE3 TRP 88 HE3 TRP 88 25.464 -24.029 20.989 623 HZ2 TRP 88 HZ2 TRP 88 28.831 -21.297 18.527 624 HZ3 TRP 88 HZ3 TRP 88 26.719 -24.961 19.089 625 HH2 TRP 88 HH2 TRP 88 28.368 -23.622 17.885 626 H LEU 89 H LEU 89 27.682 -21.694 23.717 627 HA LEU 89 HA LEU 89 27.876 -20.994 26.564 628 1HB LEU 89 1HB LEU 89 29.858 -21.768 24.482 629 2HB LEU 89 2HB LEU 89 30.383 -20.716 25.795 630 HG LEU 89 HG LEU 89 30.876 -23.123 26.160 631 1HD1 LEU 89 1HD1 LEU 89 30.057 -21.242 27.945 632 2HD1 LEU 89 2HD1 LEU 89 30.699 -22.827 28.373 633 3HD1 LEU 89 3HD1 LEU 89 28.955 -22.573 28.301 634 1HD2 LEU 89 1HD2 LEU 89 28.947 -24.113 25.101 635 2HD2 LEU 89 2HD2 LEU 89 27.870 -23.343 26.267 636 3HD2 LEU 89 3HD2 LEU 89 28.996 -24.593 26.798 637 H GLY 90 H GLY 90 28.545 -19.739 23.310 638 1HA GLY 90 1HA GLY 90 28.453 -17.576 22.518 639 2HA GLY 90 2HA GLY 90 27.774 -17.094 24.066 640 H ASP 91 H ASP 91 29.936 -15.973 22.260 641 HA ASP 91 HA ASP 91 32.124 -15.913 24.228 642 1HB ASP 91 1HB ASP 91 32.616 -16.708 21.865 643 2HB ASP 91 2HB ASP 91 32.303 -15.056 21.340 644 H ALA 92 H ALA 92 30.681 -14.373 25.396 645 HA ALA 92 HA ALA 92 31.169 -11.642 24.419 646 1HB ALA 92 1HB ALA 92 29.018 -11.051 24.488 647 2HB ALA 92 2HB ALA 92 28.669 -12.780 24.507 648 3HB ALA 92 3HB ALA 92 28.750 -11.880 26.021 649 H ARG 93 H ARG 93 32.803 -11.103 25.776 650 HA ARG 93 HA ARG 93 32.668 -11.758 28.596 651 1HB ARG 93 1HB ARG 93 34.727 -10.047 27.202 652 2HB ARG 93 2HB ARG 93 34.885 -10.868 28.749 653 1HG ARG 93 1HG ARG 93 34.753 -13.034 27.579 654 2HG ARG 93 2HG ARG 93 34.693 -12.169 26.042 655 1HD ARG 93 1HD ARG 93 36.949 -12.878 26.423 656 2HD ARG 93 2HD ARG 93 36.877 -11.127 26.614 657 HE ARG 93 HE ARG 93 36.538 -12.109 29.140 658 1HH1 ARG 93 2HH1 ARG 93 38.952 -12.467 26.657 659 2HH1 ARG 93 1HH1 ARG 93 40.253 -12.709 27.775 660 1HH2 ARG 93 2HH2 ARG 93 38.243 -12.426 30.621 661 2HH2 ARG 93 1HH2 ARG 93 39.848 -12.687 30.030 662 H GLU 94 H GLU 94 31.793 -10.497 30.094 663 HA GLU 94 HA GLU 94 30.773 -7.900 29.411 664 1HB GLU 94 1HB GLU 94 29.701 -9.630 30.977 665 2HB GLU 94 2HB GLU 94 30.857 -9.077 32.180 666 1HG GLU 94 1HG GLU 94 28.641 -8.012 32.374 667 2HG GLU 94 2HG GLU 94 29.954 -6.863 32.125 668 H ASN 95 H ASN 95 33.065 -7.175 28.893 669 HA ASN 95 HA ASN 95 34.573 -6.374 31.267 670 1HB ASN 95 1HB ASN 95 35.685 -7.451 29.250 671 2HB ASN 95 2HB ASN 95 35.363 -5.952 28.384 672 1HD2 ASN 95 2HD2 ASN 95 36.691 -6.989 31.510 673 2HD2 ASN 95 1HD2 ASN 95 38.036 -5.905 31.488 674 H ASP 96 H ASP 96 33.300 -4.706 32.071 675 HA ASP 96 HA ASP 96 32.489 -2.509 30.399 676 1HB ASP 96 1HB ASP 96 31.006 -2.924 32.169 677 2HB ASP 96 2HB ASP 96 32.309 -3.095 33.342 678 H LEU 97 H LEU 97 34.024 -1.203 29.626 679 HA LEU 97 HA LEU 97 35.562 0.410 31.402 680 1HB LEU 97 1HB LEU 97 36.881 -1.716 31.332 681 2HB LEU 97 2HB LEU 97 37.116 -1.442 29.607 682 HG LEU 97 HG LEU 97 37.962 0.680 31.521 683 1HD1 LEU 97 1HD1 LEU 97 38.900 -1.258 32.561 684 2HD1 LEU 97 2HD1 LEU 97 40.183 -0.430 31.680 685 3HD1 LEU 97 3HD1 LEU 97 39.451 -1.887 31.009 686 1HD2 LEU 97 1HD2 LEU 97 38.440 -0.117 28.739 687 2HD2 LEU 97 2HD2 LEU 97 39.882 0.391 29.620 688 3HD2 LEU 97 3HD2 LEU 97 38.497 1.477 29.492 689 H GLU 98 H GLU 98 36.305 2.262 30.420 690 HA GLU 98 HA GLU 98 36.095 2.445 27.502 691 1HB GLU 98 1HB GLU 98 34.903 4.506 29.360 692 2HB GLU 98 2HB GLU 98 34.825 4.491 27.603 693 1HG GLU 98 1HG GLU 98 33.558 2.318 27.803 694 2HG GLU 98 2HG GLU 98 33.445 2.650 29.531 695 H HIS 99 H HIS 99 37.641 3.667 26.566 696 HA HIS 99 HA HIS 99 39.023 5.770 27.893 697 1HB HIS 99 1HB HIS 99 39.968 3.466 28.790 698 2HB HIS 99 2HB HIS 99 40.864 3.500 27.274 699 HD1 HIS 99 HD1 HIS 99 43.112 4.453 27.572 700 HD2 HIS 99 HD2 HIS 99 40.356 6.199 30.145 701 HE1 HIS 99 HE1 HIS 99 44.415 6.138 28.910 702 H HIS 100 H HIS 100 39.294 7.150 26.278 703 HA HIS 100 HA HIS 100 40.514 6.224 23.792 704 1HB HIS 100 1HB HIS 100 38.834 7.652 22.510 705 2HB HIS 100 2HB HIS 100 38.239 6.122 23.148 706 HD1 HIS 100 HD1 HIS 100 37.718 9.767 23.320 707 HD2 HIS 100 HD2 HIS 100 36.503 6.389 25.413 708 HE1 HIS 100 HE1 HIS 100 35.773 10.513 24.730 709 H HIS 101 H HIS 101 42.061 7.569 23.128 710 HA HIS 101 HA HIS 101 42.131 10.272 24.296 711 1HB HIS 101 1HB HIS 101 44.548 10.195 24.086 712 2HB HIS 101 2HB HIS 101 43.992 8.778 24.971 713 HD1 HIS 101 HD1 HIS 101 44.364 6.488 23.894 714 HD2 HIS 101 HD2 HIS 101 45.595 9.666 21.516 715 HE1 HIS 101 HE1 HIS 101 45.698 5.455 22.029 716 H HIS 102 H HIS 102 42.366 12.029 22.999 717 HA HIS 102 HA HIS 102 42.672 11.560 20.111 718 1HB HIS 102 1HB HIS 102 40.268 12.104 21.044 719 2HB HIS 102 2HB HIS 102 40.885 13.754 21.085 720 HD1 HIS 102 HD1 HIS 102 41.670 14.746 18.731 721 HD2 HIS 102 HD2 HIS 102 39.476 11.222 18.576 722 HE1 HIS 102 HE1 HIS 102 40.890 14.544 16.349 723 H HIS 103 H HIS 103 44.555 12.450 19.578 724 HA HIS 103 HA HIS 103 45.967 14.365 21.001 725 1HB HIS 103 1HB HIS 103 46.848 12.885 19.156 726 2HB HIS 103 2HB HIS 103 46.113 13.996 18.005 727 HD1 HIS 103 HD1 HIS 103 48.622 14.149 20.863 728 HD2 HIS 103 HD2 HIS 103 47.778 15.982 17.231 729 HE1 HIS 103 HE1 HIS 103 50.505 15.770 20.474 730 H HIS 104 H HIS 104 45.790 16.495 21.249 731 HA HIS 104 HA HIS 104 43.745 17.912 19.727 732 1HB HIS 104 1HB HIS 104 45.174 18.394 22.307 733 2HB HIS 104 2HB HIS 104 44.485 19.771 21.452 734 HD1 HIS 104 HD1 HIS 104 42.766 16.440 21.466 735 HD2 HIS 104 HD2 HIS 104 42.456 20.144 23.321 736 HE1 HIS 104 HE1 HIS 104 40.551 16.413 22.656 Start of MODEL 15 1 1H ALA 1 H ALA 1 0.171 0.871 -0.607 2 HA ALA 1 HA ALA 1 2.689 0.659 -1.644 3 1HB ALA 1 1HB ALA 1 3.372 0.404 0.483 4 2HB ALA 1 2HB ALA 1 1.675 0.698 0.864 5 3HB ALA 1 3HB ALA 1 2.286 -0.954 0.780 6 H GLN 2 H GLN 2 0.746 -1.159 -2.987 7 HA GLN 2 HA GLN 2 1.212 -3.841 -2.515 8 1HB GLN 2 1HB GLN 2 -0.362 -2.697 -4.216 9 2HB GLN 2 2HB GLN 2 1.015 -2.749 -5.309 10 1HG GLN 2 1HG GLN 2 0.306 -5.275 -3.955 11 2HG GLN 2 2HG GLN 2 -0.823 -4.677 -5.170 12 1HE2 GLN 2 2HE2 GLN 2 1.367 -6.878 -4.894 13 2HE2 GLN 2 1HE2 GLN 2 2.174 -6.794 -6.419 14 H VAL 3 H VAL 3 2.995 -5.024 -2.516 15 HA VAL 3 HA VAL 3 5.176 -4.304 -4.356 16 HB VAL 3 HB VAL 3 5.504 -5.164 -1.478 17 1HG1 VAL 3 1HG1 VAL 3 7.509 -4.690 -3.672 18 2HG1 VAL 3 2HG1 VAL 3 7.939 -4.709 -1.960 19 3HG1 VAL 3 3HG1 VAL 3 7.266 -6.153 -2.718 20 1HG2 VAL 3 1HG2 VAL 3 5.379 -2.992 -1.017 21 2HG2 VAL 3 2HG2 VAL 3 6.847 -2.759 -1.965 22 3HG2 VAL 3 3HG2 VAL 3 5.267 -2.581 -2.728 23 H ASN 4 H ASN 4 5.602 -5.922 -5.692 24 HA ASN 4 HA ASN 4 5.136 -8.679 -4.758 25 1HB ASN 4 1HB ASN 4 4.954 -9.076 -7.354 26 2HB ASN 4 2HB ASN 4 3.568 -8.481 -6.444 27 1HD2 ASN 4 2HD2 ASN 4 5.829 -7.841 -8.915 28 2HD2 ASN 4 1HD2 ASN 4 5.252 -6.273 -9.354 29 H ILE 5 H ILE 5 6.994 -9.684 -4.397 30 HA ILE 5 HA ILE 5 9.222 -9.226 -6.272 31 HB ILE 5 HB ILE 5 9.475 -9.767 -3.311 32 1HG1 ILE 5 1HG1 ILE 5 10.293 -7.247 -4.740 33 2HG1 ILE 5 2HG1 ILE 5 8.666 -7.446 -4.098 34 1HG2 ILE 5 1HG2 ILE 5 11.409 -10.663 -4.108 35 2HG2 ILE 5 2HG2 ILE 5 11.406 -9.662 -5.559 36 3HG2 ILE 5 3HG2 ILE 5 11.907 -8.974 -4.014 37 1HD1 ILE 5 1HD1 ILE 5 11.166 -7.704 -2.449 38 2HD1 ILE 5 2HD1 ILE 5 10.223 -6.221 -2.604 39 3HD1 ILE 5 3HD1 ILE 5 9.499 -7.654 -1.874 40 H ALA 6 H ALA 6 10.194 -10.992 -7.098 41 HA ALA 6 HA ALA 6 9.003 -13.575 -6.517 42 1HB ALA 6 1HB ALA 6 9.838 -14.298 -8.538 43 2HB ALA 6 2HB ALA 6 9.607 -12.578 -8.850 44 3HB ALA 6 3HB ALA 6 11.217 -13.199 -8.484 45 HA PRO 7 HA PRO 7 12.236 -14.750 -3.725 46 1HB PRO 7 1HB PRO 7 11.594 -17.383 -3.568 47 2HB PRO 7 2HB PRO 7 10.670 -16.119 -2.748 48 1HG PRO 7 1HG PRO 7 10.090 -17.517 -5.331 49 2HG PRO 7 2HG PRO 7 8.982 -17.102 -4.009 50 1HD PRO 7 1HD PRO 7 9.156 -15.636 -6.279 51 2HD PRO 7 2HD PRO 7 8.773 -14.914 -4.703 52 H GLY 8 H GLY 8 13.504 -17.151 -3.684 53 1HA GLY 8 1HA GLY 8 14.754 -18.675 -5.044 54 2HA GLY 8 2HA GLY 8 14.600 -17.549 -6.384 55 H SER 9 H SER 9 15.284 -15.784 -3.670 56 HA SER 9 HA SER 9 18.009 -16.172 -3.229 57 1HB SER 9 1HB SER 9 18.566 -13.901 -4.593 58 2HB SER 9 2HB SER 9 18.808 -15.517 -5.256 59 HG SER 9 HG SER 9 17.343 -15.080 -6.682 60 H LEU 10 H LEU 10 17.832 -15.501 -1.180 61 HA LEU 10 HA LEU 10 16.166 -13.551 -0.158 62 1HB LEU 10 1HB LEU 10 17.356 -15.160 1.226 63 2HB LEU 10 2HB LEU 10 18.889 -14.383 0.835 64 HG LEU 10 HG LEU 10 16.892 -12.616 2.071 65 1HD1 LEU 10 1HD1 LEU 10 17.935 -15.053 3.470 66 2HD1 LEU 10 2HD1 LEU 10 16.293 -14.410 3.433 67 3HD1 LEU 10 3HD1 LEU 10 17.545 -13.578 4.355 68 1HD2 LEU 10 1HD2 LEU 10 19.359 -12.182 1.528 69 2HD2 LEU 10 2HD2 LEU 10 19.708 -13.174 2.944 70 3HD2 LEU 10 3HD2 LEU 10 18.766 -11.692 3.115 71 H ASP 11 H ASP 11 19.481 -13.215 -1.356 72 HA ASP 11 HA ASP 11 19.884 -10.535 -0.667 73 1HB ASP 11 1HB ASP 11 20.990 -12.070 -3.028 74 2HB ASP 11 2HB ASP 11 21.614 -10.534 -2.432 75 H LYS 12 H LYS 12 18.484 -11.978 -3.581 76 HA LYS 12 HA LYS 12 18.171 -9.628 -5.068 77 1HB LYS 12 1HB LYS 12 17.108 -12.365 -5.148 78 2HB LYS 12 2HB LYS 12 16.034 -11.160 -5.844 79 1HG LYS 12 1HG LYS 12 18.832 -10.936 -6.687 80 2HG LYS 12 2HG LYS 12 18.020 -12.422 -7.185 81 1HD LYS 12 1HD LYS 12 16.877 -9.667 -7.620 82 2HD LYS 12 2HD LYS 12 17.857 -10.518 -8.816 83 1HE LYS 12 1HE LYS 12 16.121 -12.439 -8.419 84 2HE LYS 12 2HE LYS 12 15.106 -11.126 -7.827 85 1HZ LYS 12 1HZ LYS 12 14.553 -10.950 -9.979 86 2HZ LYS 12 2HZ LYS 12 15.943 -11.740 -10.529 87 3HZ LYS 12 3HZ LYS 12 16.008 -10.099 -10.123 88 H ALA 13 H ALA 13 15.751 -11.333 -3.075 89 HA ALA 13 HA ALA 13 13.717 -9.439 -3.303 90 1HB ALA 13 1HB ALA 13 13.408 -11.715 -2.413 91 2HB ALA 13 2HB ALA 13 14.262 -11.238 -0.945 92 3HB ALA 13 3HB ALA 13 12.725 -10.479 -1.356 93 H LEU 14 H LEU 14 16.408 -9.644 -1.028 94 HA LEU 14 HA LEU 14 15.663 -7.708 0.802 95 1HB LEU 14 1HB LEU 14 17.559 -8.818 1.430 96 2HB LEU 14 2HB LEU 14 18.258 -8.761 -0.187 97 HG LEU 14 HG LEU 14 18.816 -6.388 0.159 98 1HD1 LEU 14 1HD1 LEU 14 17.325 -5.491 1.658 99 2HD1 LEU 14 2HD1 LEU 14 18.741 -5.722 2.684 100 3HD1 LEU 14 3HD1 LEU 14 17.411 -6.879 2.743 101 1HD2 LEU 14 1HD2 LEU 14 20.272 -7.083 2.391 102 2HD2 LEU 14 2HD2 LEU 14 20.737 -7.377 0.715 103 3HD2 LEU 14 3HD2 LEU 14 19.919 -8.639 1.638 104 H ASN 15 H ASN 15 17.504 -7.274 -2.213 105 HA ASN 15 HA ASN 15 17.649 -4.440 -1.967 106 1HB ASN 15 1HB ASN 15 18.123 -6.328 -4.274 107 2HB ASN 15 2HB ASN 15 18.312 -4.584 -4.424 108 1HD2 ASN 15 2HD2 ASN 15 19.374 -7.350 -2.498 109 2HD2 ASN 15 1HD2 ASN 15 20.966 -6.751 -2.195 110 H GLN 16 H GLN 16 15.406 -6.670 -3.467 111 HA GLN 16 HA GLN 16 14.022 -4.884 -5.119 112 1HB GLN 16 1HB GLN 16 13.036 -7.350 -3.678 113 2HB GLN 16 2HB GLN 16 12.136 -6.507 -4.932 114 1HG GLN 16 1HG GLN 16 14.853 -7.217 -5.721 115 2HG GLN 16 2HG GLN 16 13.837 -8.604 -5.327 116 1HE2 GLN 16 2HE2 GLN 16 14.150 -9.075 -7.622 117 2HE2 GLN 16 1HE2 GLN 16 13.087 -8.345 -8.771 118 H TYR 17 H TYR 17 13.180 -5.982 -1.831 119 HA TYR 17 HA TYR 17 11.056 -4.106 -1.549 120 1HB TYR 17 1HB TYR 17 10.641 -5.123 0.452 121 2HB TYR 17 2HB TYR 17 11.652 -6.376 -0.261 122 HD1 TYR 17 HD1 TYR 17 13.892 -6.783 0.556 123 HD2 TYR 17 HD2 TYR 17 11.502 -3.685 2.227 124 HE1 TYR 17 HE1 TYR 17 15.450 -6.611 2.452 125 HE2 TYR 17 HE2 TYR 17 13.054 -3.504 4.126 126 HH TYR 17 HH TYR 17 15.541 -5.822 4.695 127 H ALA 18 H ALA 18 14.451 -4.147 -0.628 128 HA ALA 18 HA ALA 18 14.490 -1.944 1.085 129 1HB ALA 18 1HB ALA 18 16.883 -1.774 0.517 130 2HB ALA 18 2HB ALA 18 16.387 -3.427 0.883 131 3HB ALA 18 3HB ALA 18 16.634 -2.930 -0.791 132 H ALA 19 H ALA 19 14.765 -2.112 -2.441 133 HA ALA 19 HA ALA 19 15.160 0.716 -2.739 134 1HB ALA 19 1HB ALA 19 14.233 -0.974 -5.005 135 2HB ALA 19 2HB ALA 19 15.442 0.310 -4.972 136 3HB ALA 19 3HB ALA 19 15.828 -1.281 -4.318 137 H HIS 20 H HIS 20 12.442 -1.405 -2.518 138 HA HIS 20 HA HIS 20 10.555 0.329 -3.793 139 1HB HIS 20 1HB HIS 20 10.390 -2.181 -2.175 140 2HB HIS 20 2HB HIS 20 8.930 -1.226 -2.414 141 HD1 HIS 20 HD1 HIS 20 9.309 -0.407 -5.349 142 HD2 HIS 20 HD2 HIS 20 9.975 -4.243 -3.899 143 HE1 HIS 20 HE1 HIS 20 9.077 -1.927 -7.339 144 H SER 21 H SER 21 11.862 0.012 -0.598 145 HA SER 21 HA SER 21 9.797 1.699 0.575 146 1HB SER 21 1HB SER 21 12.199 0.283 1.739 147 2HB SER 21 2HB SER 21 11.178 1.371 2.680 148 HG SER 21 HG SER 21 10.584 -1.145 1.596 149 H GLY 22 H GLY 22 13.365 1.756 0.401 150 1HA GLY 22 1HA GLY 22 14.483 3.728 -0.480 151 2HA GLY 22 2HA GLY 22 13.192 4.696 0.215 152 H PHE 23 H PHE 23 14.483 2.068 2.054 153 HA PHE 23 HA PHE 23 15.965 3.991 3.723 154 1HB PHE 23 1HB PHE 23 15.163 3.007 5.682 155 2HB PHE 23 2HB PHE 23 13.750 2.993 4.633 156 HD1 PHE 23 HD1 PHE 23 15.675 1.091 6.827 157 HD2 PHE 23 HD2 PHE 23 13.525 0.795 3.165 158 HE1 PHE 23 HE1 PHE 23 15.470 -1.340 7.148 159 HE2 PHE 23 HE2 PHE 23 13.316 -1.636 3.481 160 HZ PHE 23 HZ PHE 23 14.288 -2.707 5.474 161 H THR 24 H THR 24 17.554 2.815 5.216 162 HA THR 24 HA THR 24 19.051 0.890 3.575 163 HB THR 24 HB THR 24 20.129 2.462 5.915 164 HG1 THR 24 HG1 THR 24 21.050 3.761 4.093 165 1HG2 THR 24 1HG2 THR 24 21.641 0.759 5.483 166 2HG2 THR 24 2HG2 THR 24 22.260 2.059 4.465 167 3HG2 THR 24 3HG2 THR 24 21.304 0.760 3.753 168 H LEU 25 H LEU 25 19.902 -0.994 4.473 169 HA LEU 25 HA LEU 25 19.070 -1.681 7.197 170 1HB LEU 25 1HB LEU 25 17.357 -2.550 5.683 171 2HB LEU 25 2HB LEU 25 18.597 -3.406 4.769 172 HG LEU 25 HG LEU 25 18.997 -4.434 7.244 173 1HD1 LEU 25 1HD1 LEU 25 17.212 -3.407 8.368 174 2HD1 LEU 25 2HD1 LEU 25 16.646 -5.038 8.008 175 3HD1 LEU 25 3HD1 LEU 25 16.098 -3.678 7.028 176 1HD2 LEU 25 1HD2 LEU 25 18.868 -6.002 5.604 177 2HD2 LEU 25 2HD2 LEU 25 17.454 -5.263 4.851 178 3HD2 LEU 25 3HD2 LEU 25 17.270 -6.231 6.315 179 H SER 26 H SER 26 20.550 -2.818 8.317 180 HA SER 26 HA SER 26 22.867 -3.872 6.829 181 1HB SER 26 1HB SER 26 22.774 -1.884 8.906 182 2HB SER 26 2HB SER 26 23.684 -3.285 9.470 183 HG SER 26 HG SER 26 24.815 -1.543 8.207 184 H VAL 27 H VAL 27 22.516 -6.016 6.823 185 HA VAL 27 HA VAL 27 22.211 -7.334 9.435 186 HB VAL 27 HB VAL 27 20.040 -7.508 8.472 187 1HG1 VAL 27 1HG1 VAL 27 21.422 -8.423 5.953 188 2HG1 VAL 27 2HG1 VAL 27 19.676 -8.458 6.213 189 3HG1 VAL 27 3HG1 VAL 27 20.535 -6.917 6.188 190 1HG2 VAL 27 1HG2 VAL 27 21.480 -10.092 7.884 191 2HG2 VAL 27 2HG2 VAL 27 20.982 -9.560 9.490 192 3HG2 VAL 27 3HG2 VAL 27 19.767 -9.896 8.257 193 H ASP 28 H ASP 28 23.461 -9.104 9.760 194 HA ASP 28 HA ASP 28 25.649 -9.553 7.988 195 1HB ASP 28 1HB ASP 28 24.774 -11.175 10.389 196 2HB ASP 28 2HB ASP 28 26.347 -11.255 9.601 197 H ALA 29 H ALA 29 24.955 -10.323 6.028 198 HA ALA 29 HA ALA 29 23.112 -12.502 5.789 199 1HB ALA 29 1HB ALA 29 23.244 -12.196 3.511 200 2HB ALA 29 2HB ALA 29 23.660 -10.589 4.105 201 3HB ALA 29 3HB ALA 29 24.931 -11.687 3.567 202 H SER 30 H SER 30 26.277 -12.396 6.736 203 HA SER 30 HA SER 30 27.598 -14.406 5.385 204 1HB SER 30 1HB SER 30 28.802 -13.132 7.005 205 2HB SER 30 2HB SER 30 27.704 -13.611 8.298 206 HG SER 30 HG SER 30 29.920 -14.849 7.417 207 H LEU 31 H LEU 31 25.469 -14.732 8.215 208 HA LEU 31 HA LEU 31 25.586 -17.621 8.077 209 1HB LEU 31 1HB LEU 31 23.801 -17.361 9.921 210 2HB LEU 31 2HB LEU 31 25.468 -16.905 10.266 211 HG LEU 31 HG LEU 31 24.899 -14.554 10.002 212 1HD1 LEU 31 1HD1 LEU 31 23.223 -14.411 8.419 213 2HD1 LEU 31 2HD1 LEU 31 22.353 -14.077 9.916 214 3HD1 LEU 31 3HD1 LEU 31 22.255 -15.676 9.177 215 1HD2 LEU 31 1HD2 LEU 31 23.174 -16.154 11.875 216 2HD2 LEU 31 2HD2 LEU 31 23.251 -14.392 11.916 217 3HD2 LEU 31 3HD2 LEU 31 24.704 -15.347 12.218 218 H THR 32 H THR 32 23.825 -15.208 6.562 219 HA THR 32 HA THR 32 21.342 -16.674 6.325 220 HB THR 32 HB THR 32 22.140 -14.261 4.702 221 HG1 THR 32 HG1 THR 32 21.104 -14.405 7.350 222 1HG2 THR 32 1HG2 THR 32 20.145 -15.071 3.838 223 2HG2 THR 32 2HG2 THR 32 19.581 -13.905 5.036 224 3HG2 THR 32 3HG2 THR 32 19.572 -15.628 5.410 225 H ARG 33 H ARG 33 24.213 -16.059 4.397 226 HA ARG 33 HA ARG 33 23.388 -16.878 1.896 227 1HB ARG 33 1HB ARG 33 25.982 -16.886 3.344 228 2HB ARG 33 2HB ARG 33 25.881 -17.862 1.885 229 1HG ARG 33 1HG ARG 33 25.150 -14.947 1.995 230 2HG ARG 33 2HG ARG 33 26.749 -15.547 1.551 231 1HD ARG 33 1HD ARG 33 24.290 -16.528 0.149 232 2HD ARG 33 2HD ARG 33 25.051 -15.008 -0.319 233 HE ARG 33 HE ARG 33 27.023 -16.988 -0.234 234 1HH1 ARG 33 2HH1 ARG 33 24.189 -16.149 -2.073 235 2HH1 ARG 33 1HH1 ARG 33 24.758 -16.888 -3.533 236 1HH2 ARG 33 2HH2 ARG 33 27.783 -17.964 -2.150 237 2HH2 ARG 33 1HH2 ARG 33 26.802 -17.921 -3.575 238 H GLY 34 H GLY 34 22.228 -18.643 1.457 239 1HA GLY 34 1HA GLY 34 23.157 -21.194 1.368 240 2HA GLY 34 2HA GLY 34 22.504 -21.066 2.995 241 H LYS 35 H LYS 35 20.286 -19.474 2.553 242 HA LYS 35 HA LYS 35 18.671 -21.115 0.714 243 1HB LYS 35 1HB LYS 35 16.871 -21.149 2.259 244 2HB LYS 35 2HB LYS 35 18.308 -21.576 3.177 245 1HG LYS 35 1HG LYS 35 18.258 -18.887 3.515 246 2HG LYS 35 2HG LYS 35 16.534 -19.256 3.416 247 1HD LYS 35 1HD LYS 35 16.788 -19.634 5.633 248 2HD LYS 35 2HD LYS 35 17.326 -21.219 5.072 249 1HE LYS 35 1HE LYS 35 19.635 -20.520 5.194 250 2HE LYS 35 2HE LYS 35 19.149 -18.879 5.618 251 1HZ LYS 35 1HZ LYS 35 19.855 -20.206 7.545 252 2HZ LYS 35 2HZ LYS 35 18.580 -21.282 7.267 253 3HZ LYS 35 3HZ LYS 35 18.255 -19.675 7.682 254 H GLN 36 H GLN 36 16.434 -19.954 0.384 255 HA GLN 36 HA GLN 36 17.069 -17.214 -0.451 256 1HB GLN 36 1HB GLN 36 15.156 -17.443 -1.987 257 2HB GLN 36 2HB GLN 36 16.367 -18.690 -2.249 258 1HG GLN 36 1HG GLN 36 14.611 -19.803 -0.412 259 2HG GLN 36 2HG GLN 36 13.579 -18.938 -1.551 260 1HE2 GLN 36 2HE2 GLN 36 13.854 -21.795 -1.137 261 2HE2 GLN 36 1HE2 GLN 36 14.345 -22.462 -2.653 262 H SER 37 H SER 37 14.880 -15.873 -0.622 263 HA SER 37 HA SER 37 13.613 -16.033 2.034 264 1HB SER 37 1HB SER 37 15.005 -14.053 1.869 265 2HB SER 37 2HB SER 37 14.237 -13.597 0.348 266 HG SER 37 HG SER 37 12.284 -13.333 1.502 267 H ASN 38 H ASN 38 11.399 -15.457 2.202 268 HA ASN 38 HA ASN 38 9.825 -16.339 -0.018 269 1HB ASN 38 1HB ASN 38 8.989 -16.949 2.103 270 2HB ASN 38 2HB ASN 38 9.160 -15.314 2.735 271 1HD2 ASN 38 2HD2 ASN 38 7.194 -14.637 3.207 272 2HD2 ASN 38 1HD2 ASN 38 5.820 -14.713 2.162 273 H GLY 39 H GLY 39 9.390 -15.091 -1.711 274 1HA GLY 39 1HA GLY 39 9.753 -12.349 -1.899 275 2HA GLY 39 2HA GLY 39 8.709 -13.286 -2.957 276 H LEU 40 H LEU 40 8.153 -10.648 -2.252 277 HA LEU 40 HA LEU 40 6.032 -10.819 -0.242 278 1HB LEU 40 1HB LEU 40 7.777 -8.962 -0.293 279 2HB LEU 40 2HB LEU 40 6.922 -8.352 -1.708 280 HG LEU 40 HG LEU 40 4.936 -7.959 -0.389 281 1HD1 LEU 40 1HD1 LEU 40 6.216 -9.776 1.434 282 2HD1 LEU 40 2HD1 LEU 40 4.545 -9.213 1.398 283 3HD1 LEU 40 3HD1 LEU 40 5.771 -8.281 2.257 284 1HD2 LEU 40 1HD2 LEU 40 7.310 -6.887 1.124 285 2HD2 LEU 40 2HD2 LEU 40 5.716 -6.151 0.953 286 3HD2 LEU 40 3HD2 LEU 40 6.786 -6.270 -0.444 287 H HIS 41 H HIS 41 3.914 -9.972 -0.697 288 HA HIS 41 HA HIS 41 3.118 -9.436 -3.400 289 1HB HIS 41 1HB HIS 41 3.229 -12.121 -2.704 290 2HB HIS 41 2HB HIS 41 1.533 -11.703 -2.480 291 HD1 HIS 41 HD1 HIS 41 0.125 -11.622 -4.536 292 HD2 HIS 41 HD2 HIS 41 4.187 -11.544 -5.405 293 HE1 HIS 41 HE1 HIS 41 0.281 -11.802 -7.040 294 H GLY 42 H GLY 42 2.031 -7.637 -2.807 295 1HA GLY 42 1HA GLY 42 -0.415 -7.202 -2.249 296 2HA GLY 42 2HA GLY 42 -0.008 -7.909 -0.692 297 H ASP 43 H ASP 43 -1.034 -5.583 -0.364 298 HA ASP 43 HA ASP 43 0.867 -3.426 -0.590 299 1HB ASP 43 1HB ASP 43 -0.878 -2.118 0.630 300 2HB ASP 43 2HB ASP 43 -1.471 -2.889 -0.838 301 H TYR 44 H TYR 44 2.626 -3.678 0.675 302 HA TYR 44 HA TYR 44 2.167 -3.795 3.571 303 1HB TYR 44 1HB TYR 44 4.233 -5.414 2.067 304 2HB TYR 44 2HB TYR 44 4.128 -5.291 3.820 305 HD1 TYR 44 HD1 TYR 44 3.170 -7.174 1.003 306 HD2 TYR 44 HD2 TYR 44 1.805 -5.969 4.849 307 HE1 TYR 44 HE1 TYR 44 1.606 -9.072 1.036 308 HE2 TYR 44 HE2 TYR 44 0.238 -7.864 4.893 309 HH TYR 44 HH TYR 44 0.430 -10.450 3.191 310 H ASP 45 H ASP 45 3.177 -2.216 4.618 311 HA ASP 45 HA ASP 45 4.696 -0.255 3.310 312 1HB ASP 45 1HB ASP 45 4.489 -0.874 6.264 313 2HB ASP 45 2HB ASP 45 5.181 0.599 5.590 314 H VAL 46 H VAL 46 6.895 0.394 4.628 315 HA VAL 46 HA VAL 46 8.874 -1.290 3.599 316 HB VAL 46 HB VAL 46 9.382 1.019 4.032 317 1HG1 VAL 46 1HG1 VAL 46 9.182 0.473 6.985 318 2HG1 VAL 46 2HG1 VAL 46 9.403 2.027 6.178 319 3HG1 VAL 46 3HG1 VAL 46 7.866 1.172 6.042 320 1HG2 VAL 46 1HG2 VAL 46 11.194 -0.711 4.217 321 2HG2 VAL 46 2HG2 VAL 46 11.526 0.810 5.046 322 3HG2 VAL 46 3HG2 VAL 46 11.020 -0.605 5.969 323 H GLU 47 H GLU 47 7.664 -0.947 6.921 324 HA GLU 47 HA GLU 47 9.405 -2.957 7.974 325 1HB GLU 47 1HB GLU 47 6.947 -1.606 9.087 326 2HB GLU 47 2HB GLU 47 7.882 -2.793 9.985 327 1HG GLU 47 1HG GLU 47 9.855 -1.357 9.824 328 2HG GLU 47 2HG GLU 47 8.908 -0.164 8.937 329 H SER 48 H SER 48 5.907 -2.856 7.310 330 HA SER 48 HA SER 48 5.282 -5.461 8.020 331 1HB SER 48 1HB SER 48 3.830 -3.398 7.100 332 2HB SER 48 2HB SER 48 3.914 -4.357 5.622 333 HG SER 48 HG SER 48 2.311 -4.720 7.670 334 H GLY 49 H GLY 49 6.172 -4.230 4.794 335 1HA GLY 49 1HA GLY 49 6.121 -6.730 3.496 336 2HA GLY 49 2HA GLY 49 6.986 -5.306 2.937 337 H LEU 50 H LEU 50 8.765 -4.981 5.079 338 HA LEU 50 HA LEU 50 10.852 -6.680 4.324 339 1HB LEU 50 1HB LEU 50 11.621 -4.741 5.254 340 2HB LEU 50 2HB LEU 50 10.394 -4.735 6.519 341 HG LEU 50 HG LEU 50 11.639 -6.485 7.715 342 1HD1 LEU 50 1HD1 LEU 50 12.779 -7.094 5.358 343 2HD1 LEU 50 2HD1 LEU 50 13.468 -7.534 6.920 344 3HD1 LEU 50 3HD1 LEU 50 14.054 -6.105 6.069 345 1HD2 LEU 50 1HD2 LEU 50 12.187 -3.814 7.597 346 2HD2 LEU 50 2HD2 LEU 50 13.775 -4.526 7.309 347 3HD2 LEU 50 3HD2 LEU 50 12.874 -4.941 8.768 348 H GLN 51 H GLN 51 8.752 -6.764 7.185 349 HA GLN 51 HA GLN 51 9.968 -9.021 8.374 350 1HB GLN 51 1HB GLN 51 7.130 -8.030 8.693 351 2HB GLN 51 2HB GLN 51 7.973 -9.125 9.781 352 1HG GLN 51 1HG GLN 51 9.403 -6.629 9.337 353 2HG GLN 51 2HG GLN 51 7.804 -6.404 10.044 354 1HE2 GLN 51 2HE2 GLN 51 10.873 -8.073 10.427 355 2HE2 GLN 51 1HE2 GLN 51 10.768 -8.262 12.141 356 H GLN 52 H GLN 52 7.685 -8.660 5.809 357 HA GLN 52 HA GLN 52 6.635 -11.325 5.948 358 1HB GLN 52 1HB GLN 52 6.260 -8.954 4.268 359 2HB GLN 52 2HB GLN 52 6.152 -10.468 3.380 360 1HG GLN 52 1HG GLN 52 4.512 -9.635 5.760 361 2HG GLN 52 2HG GLN 52 3.964 -9.824 4.095 362 1HE2 GLN 52 2HE2 GLN 52 4.795 -12.146 3.263 363 2HE2 GLN 52 1HE2 GLN 52 4.260 -13.444 4.268 364 H LEU 53 H LEU 53 9.367 -9.791 4.467 365 HA LEU 53 HA LEU 53 9.888 -11.818 2.526 366 1HB LEU 53 1HB LEU 53 11.092 -9.334 3.410 367 2HB LEU 53 2HB LEU 53 12.304 -10.570 3.081 368 HG LEU 53 HG LEU 53 11.774 -10.667 0.820 369 1HD1 LEU 53 1HD1 LEU 53 9.551 -10.948 0.511 370 2HD1 LEU 53 2HD1 LEU 53 9.635 -9.233 0.110 371 3HD1 LEU 53 3HD1 LEU 53 9.116 -9.738 1.718 372 1HD2 LEU 53 1HD2 LEU 53 11.094 -7.792 1.222 373 2HD2 LEU 53 2HD2 LEU 53 12.198 -8.539 0.067 374 3HD2 LEU 53 3HD2 LEU 53 12.662 -8.392 1.763 375 H LEU 54 H LEU 54 11.495 -10.978 5.599 376 HA LEU 54 HA LEU 54 12.987 -13.438 5.611 377 1HB LEU 54 1HB LEU 54 14.186 -12.534 7.299 378 2HB LEU 54 2HB LEU 54 13.491 -11.046 6.660 379 HG LEU 54 HG LEU 54 13.241 -10.828 8.959 380 1HD1 LEU 54 1HD1 LEU 54 10.606 -12.075 8.723 381 2HD1 LEU 54 2HD1 LEU 54 11.013 -10.985 7.398 382 3HD1 LEU 54 3HD1 LEU 54 11.047 -10.401 9.062 383 1HD2 LEU 54 1HD2 LEU 54 11.878 -13.289 9.652 384 2HD2 LEU 54 2HD2 LEU 54 13.278 -12.522 10.403 385 3HD2 LEU 54 3HD2 LEU 54 13.494 -13.585 9.011 386 H ASP 55 H ASP 55 9.841 -12.720 6.301 387 HA ASP 55 HA ASP 55 9.180 -13.908 8.679 388 1HB ASP 55 1HB ASP 55 7.036 -13.841 7.935 389 2HB ASP 55 2HB ASP 55 7.747 -12.923 6.610 390 H GLY 56 H GLY 56 9.055 -15.931 9.489 391 1HA GLY 56 1HA GLY 56 8.591 -18.337 8.623 392 2HA GLY 56 2HA GLY 56 10.122 -18.084 7.798 393 H SER 57 H SER 57 11.276 -16.542 9.991 394 HA SER 57 HA SER 57 11.830 -18.790 11.804 395 1HB SER 57 1HB SER 57 13.904 -17.263 12.325 396 2HB SER 57 2HB SER 57 13.880 -18.246 10.861 397 HG SER 57 HG SER 57 13.253 -15.487 11.081 398 H GLY 58 H GLY 58 11.199 -15.309 11.710 399 1HA GLY 58 1HA GLY 58 9.933 -14.116 13.283 400 2HA GLY 58 2HA GLY 58 10.061 -15.478 14.386 401 H LEU 59 H LEU 59 11.651 -12.613 13.160 402 HA LEU 59 HA LEU 59 13.421 -12.676 15.511 403 1HB LEU 59 1HB LEU 59 14.055 -12.253 12.657 404 2HB LEU 59 2HB LEU 59 14.862 -11.186 13.804 405 HG LEU 59 HG LEU 59 15.330 -13.605 14.938 406 1HD1 LEU 59 1HD1 LEU 59 14.242 -14.428 12.638 407 2HD1 LEU 59 2HD1 LEU 59 15.522 -15.312 13.468 408 3HD1 LEU 59 3HD1 LEU 59 15.918 -14.252 12.116 409 1HD2 LEU 59 1HD2 LEU 59 17.265 -12.498 14.795 410 2HD2 LEU 59 2HD2 LEU 59 16.794 -11.686 13.302 411 3HD2 LEU 59 3HD2 LEU 59 17.472 -13.314 13.245 412 H GLN 60 H GLN 60 14.415 -10.363 15.806 413 HA GLN 60 HA GLN 60 12.205 -8.429 15.568 414 1HB GLN 60 1HB GLN 60 13.241 -7.369 17.627 415 2HB GLN 60 2HB GLN 60 12.448 -8.920 17.869 416 1HG GLN 60 1HG GLN 60 14.394 -9.139 19.087 417 2HG GLN 60 2HG GLN 60 14.799 -9.921 17.559 418 1HE2 GLN 60 2HE2 GLN 60 16.999 -9.504 18.379 419 2HE2 GLN 60 1HE2 GLN 60 17.729 -7.982 18.015 420 H VAL 61 H VAL 61 12.617 -6.448 14.741 421 HA VAL 61 HA VAL 61 15.391 -5.910 13.901 422 HB VAL 61 HB VAL 61 13.088 -4.554 12.576 423 1HG1 VAL 61 1HG1 VAL 61 15.713 -5.612 11.532 424 2HG1 VAL 61 2HG1 VAL 61 14.565 -4.596 10.657 425 3HG1 VAL 61 3HG1 VAL 61 15.422 -3.954 12.059 426 1HG2 VAL 61 1HG2 VAL 61 13.711 -7.451 12.416 427 2HG2 VAL 61 2HG2 VAL 61 12.168 -6.613 12.245 428 3HG2 VAL 61 3HG2 VAL 61 13.325 -6.611 10.914 429 H LYS 62 H LYS 62 16.264 -3.890 14.219 430 HA LYS 62 HA LYS 62 14.626 -1.811 15.444 431 1HB LYS 62 1HB LYS 62 16.234 -1.491 17.288 432 2HB LYS 62 2HB LYS 62 15.442 -3.059 17.362 433 1HG LYS 62 1HG LYS 62 17.953 -3.089 15.876 434 2HG LYS 62 2HG LYS 62 18.129 -2.623 17.569 435 1HD LYS 62 1HD LYS 62 16.452 -4.730 17.809 436 2HD LYS 62 2HD LYS 62 17.371 -5.212 16.381 437 1HE LYS 62 1HE LYS 62 18.927 -5.958 17.792 438 2HE LYS 62 2HE LYS 62 19.304 -4.266 18.113 439 1HZ LYS 62 1HZ LYS 62 18.558 -6.041 19.982 440 2HZ LYS 62 2HZ LYS 62 17.076 -5.308 19.627 441 3HZ LYS 62 3HZ LYS 62 18.385 -4.366 20.136 442 HA PRO 63 HA PRO 63 17.126 0.729 12.852 443 1HB PRO 63 1HB PRO 63 16.610 3.128 14.013 444 2HB PRO 63 2HB PRO 63 15.435 2.277 13.002 445 1HG PRO 63 1HG PRO 63 15.632 2.396 15.987 446 2HG PRO 63 2HG PRO 63 14.195 2.513 14.955 447 1HD PRO 63 1HD PRO 63 14.880 0.233 16.244 448 2HD PRO 63 2HD PRO 63 14.058 0.230 14.671 449 H LEU 64 H LEU 64 18.980 2.144 12.913 450 HA LEU 64 HA LEU 64 20.477 2.016 15.447 451 1HB LEU 64 1HB LEU 64 21.871 2.007 12.809 452 2HB LEU 64 2HB LEU 64 22.428 1.410 14.371 453 HG LEU 64 HG LEU 64 20.328 0.071 12.667 454 1HD1 LEU 64 1HD1 LEU 64 22.532 0.033 11.598 455 2HD1 LEU 64 2HD1 LEU 64 22.041 -1.570 12.145 456 3HD1 LEU 64 3HD1 LEU 64 23.228 -0.649 13.068 457 1HD2 LEU 64 1HD2 LEU 64 19.842 -0.904 14.623 458 2HD2 LEU 64 2HD2 LEU 64 21.327 -0.336 15.386 459 3HD2 LEU 64 3HD2 LEU 64 21.351 -1.787 14.384 460 H GLY 65 H GLY 65 20.750 3.603 12.257 461 1HA GLY 65 1HA GLY 65 20.958 6.181 13.673 462 2HA GLY 65 2HA GLY 65 22.135 5.746 12.442 463 H ASN 66 H ASN 66 21.751 6.426 10.442 464 HA ASN 66 HA ASN 66 19.435 7.935 9.822 465 1HB ASN 66 1HB ASN 66 21.642 8.357 8.793 466 2HB ASN 66 2HB ASN 66 21.531 6.816 7.947 467 1HD2 ASN 66 2HD2 ASN 66 19.098 9.319 8.520 468 2HD2 ASN 66 1HD2 ASN 66 18.770 9.628 6.852 469 H ASN 67 H ASN 67 17.669 6.538 10.184 470 HA ASN 67 HA ASN 67 16.154 4.881 9.728 471 1HB ASN 67 1HB ASN 67 16.472 6.572 7.547 472 2HB ASN 67 2HB ASN 67 16.523 4.961 6.838 473 1HD2 ASN 67 2HD2 ASN 67 14.785 3.467 7.906 474 2HD2 ASN 67 1HD2 ASN 67 13.196 4.146 7.951 475 H SER 68 H SER 68 18.853 3.928 10.132 476 HA SER 68 HA SER 68 19.099 1.717 8.235 477 1HB SER 68 1HB SER 68 21.181 1.339 9.898 478 2HB SER 68 2HB SER 68 21.244 2.446 8.527 479 HG SER 68 HG SER 68 21.898 3.662 10.201 480 H TRP 69 H TRP 69 18.061 -0.102 8.669 481 HA TRP 69 HA TRP 69 17.522 -0.801 11.472 482 1HB TRP 69 1HB TRP 69 16.203 -1.788 8.934 483 2HB TRP 69 2HB TRP 69 15.775 -2.299 10.565 484 HD1 TRP 69 HD1 TRP 69 16.135 1.174 8.837 485 HE1 TRP 69 HE1 TRP 69 14.094 2.594 9.506 486 HE3 TRP 69 HE3 TRP 69 13.729 -2.214 11.814 487 HZ2 TRP 69 HZ2 TRP 69 11.773 2.314 11.087 488 HZ3 TRP 69 HZ3 TRP 69 11.604 -1.559 12.868 489 HH2 TRP 69 HH2 TRP 69 10.648 0.659 12.511 490 H THR 70 H THR 70 17.881 -2.927 12.216 491 HA THR 70 HA THR 70 19.560 -4.630 10.512 492 HB THR 70 HB THR 70 21.020 -3.282 12.032 493 HG1 THR 70 HG1 THR 70 22.303 -4.987 12.213 494 1HG2 THR 70 1HG2 THR 70 19.507 -3.130 13.948 495 2HG2 THR 70 2HG2 THR 70 21.048 -3.847 14.420 496 3HG2 THR 70 3HG2 THR 70 19.631 -4.872 14.193 497 H LEU 71 H LEU 71 19.523 -6.851 11.025 498 HA LEU 71 HA LEU 71 17.162 -7.644 12.575 499 1HB LEU 71 1HB LEU 71 18.464 -8.611 10.152 500 2HB LEU 71 2HB LEU 71 18.074 -9.900 11.289 501 HG LEU 71 HG LEU 71 16.298 -9.666 9.675 502 1HD1 LEU 71 1HD1 LEU 71 15.397 -8.501 12.303 503 2HD1 LEU 71 2HD1 LEU 71 15.746 -10.209 12.034 504 3HD1 LEU 71 3HD1 LEU 71 14.429 -9.429 11.157 505 1HD2 LEU 71 1HD2 LEU 71 16.856 -6.899 9.931 506 2HD2 LEU 71 2HD2 LEU 71 15.172 -7.156 10.390 507 3HD2 LEU 71 3HD2 LEU 71 15.750 -7.698 8.813 508 H GLU 72 H GLU 72 17.338 -8.748 14.421 509 HA GLU 72 HA GLU 72 19.751 -10.272 14.998 510 1HB GLU 72 1HB GLU 72 18.930 -7.787 16.425 511 2HB GLU 72 2HB GLU 72 19.594 -9.104 17.381 512 1HG GLU 72 1HG GLU 72 21.498 -9.070 15.610 513 2HG GLU 72 2HG GLU 72 20.904 -7.443 15.281 514 HA PRO 73 HA PRO 73 17.020 -13.023 17.050 515 1HB PRO 73 1HB PRO 73 18.528 -13.907 19.127 516 2HB PRO 73 2HB PRO 73 18.833 -14.375 17.450 517 1HG PRO 73 1HG PRO 73 20.190 -12.286 19.111 518 2HG PRO 73 2HG PRO 73 20.904 -13.473 18.003 519 1HD PRO 73 1HD PRO 73 20.507 -10.886 17.309 520 2HD PRO 73 2HD PRO 73 20.408 -12.215 16.136 521 H ALA 74 H ALA 74 15.299 -12.636 18.283 522 HA ALA 74 HA ALA 74 15.300 -10.519 20.222 523 1HB ALA 74 1HB ALA 74 13.025 -12.425 19.974 524 2HB ALA 74 2HB ALA 74 13.013 -10.677 20.206 525 3HB ALA 74 3HB ALA 74 13.393 -11.353 18.623 526 HA PRO 75 HA PRO 75 16.318 -12.903 23.789 527 1HB PRO 75 1HB PRO 75 15.304 -11.243 25.683 528 2HB PRO 75 2HB PRO 75 16.795 -10.895 24.800 529 1HG PRO 75 1HG PRO 75 14.029 -9.852 24.330 530 2HG PRO 75 2HG PRO 75 15.573 -8.981 24.301 531 1HD PRO 75 1HD PRO 75 14.311 -9.783 22.045 532 2HD PRO 75 2HD PRO 75 16.080 -9.694 22.169 533 H ALA 76 H ALA 76 15.334 -14.647 24.576 534 HA ALA 76 HA ALA 76 12.548 -15.081 24.351 535 1HB ALA 76 1HB ALA 76 14.856 -16.577 25.442 536 2HB ALA 76 2HB ALA 76 13.256 -17.038 26.023 537 3HB ALA 76 3HB ALA 76 13.613 -17.081 24.296 538 HA PRO 77 HA PRO 77 10.873 -13.549 28.106 539 1HB PRO 77 1HB PRO 77 9.067 -15.466 28.763 540 2HB PRO 77 2HB PRO 77 8.835 -14.350 27.412 541 1HG PRO 77 1HG PRO 77 9.810 -17.180 27.385 542 2HG PRO 77 2HG PRO 77 8.663 -16.382 26.294 543 1HD PRO 77 1HD PRO 77 11.256 -16.794 25.633 544 2HD PRO 77 2HD PRO 77 10.336 -15.389 25.057 545 H LYS 78 H LYS 78 10.516 -14.022 30.422 546 HA LYS 78 HA LYS 78 12.373 -16.086 31.411 547 1HB LYS 78 1HB LYS 78 12.848 -14.580 33.317 548 2HB LYS 78 2HB LYS 78 13.330 -13.890 31.773 549 1HG LYS 78 1HG LYS 78 12.283 -12.066 32.548 550 2HG LYS 78 2HG LYS 78 10.829 -12.898 31.992 551 1HD LYS 78 1HD LYS 78 10.157 -13.425 34.108 552 2HD LYS 78 2HD LYS 78 11.808 -13.515 34.727 553 1HE LYS 78 1HE LYS 78 10.826 -11.608 35.724 554 2HE LYS 78 2HE LYS 78 11.910 -11.007 34.470 555 1HZ LYS 78 1HZ LYS 78 10.222 -10.087 33.377 556 2HZ LYS 78 2HZ LYS 78 9.292 -10.337 34.767 557 3HZ LYS 78 3HZ LYS 78 9.251 -11.466 33.508 558 H GLU 79 H GLU 79 9.462 -16.225 30.945 559 HA GLU 79 HA GLU 79 8.729 -17.149 33.615 560 1HB GLU 79 1HB GLU 79 7.851 -14.779 33.204 561 2HB GLU 79 2HB GLU 79 6.785 -15.502 32.009 562 1HG GLU 79 1HG GLU 79 5.761 -16.884 33.706 563 2HG GLU 79 2HG GLU 79 6.879 -16.263 34.919 564 H ASP 80 H ASP 80 8.010 -19.159 33.468 565 HA ASP 80 HA ASP 80 7.193 -21.110 32.626 566 1HB ASP 80 1HB ASP 80 5.395 -19.099 31.281 567 2HB ASP 80 2HB ASP 80 5.178 -20.834 31.070 568 H ALA 81 H ALA 81 9.505 -20.747 31.528 569 HA ALA 81 HA ALA 81 9.158 -21.682 28.798 570 1HB ALA 81 1HB ALA 81 11.291 -19.946 28.495 571 2HB ALA 81 2HB ALA 81 9.654 -19.716 27.878 572 3HB ALA 81 3HB ALA 81 10.117 -19.021 29.432 573 H LEU 82 H LEU 82 11.131 -22.631 27.912 574 HA LEU 82 HA LEU 82 12.458 -24.259 29.793 575 1HB LEU 82 1HB LEU 82 12.699 -23.748 26.875 576 2HB LEU 82 2HB LEU 82 14.028 -24.576 27.684 577 HG LEU 82 HG LEU 82 12.524 -26.174 26.656 578 1HD1 LEU 82 1HD1 LEU 82 12.701 -27.631 28.350 579 2HD1 LEU 82 2HD1 LEU 82 11.780 -26.614 29.457 580 3HD1 LEU 82 3HD1 LEU 82 13.494 -26.298 29.189 581 1HD2 LEU 82 1HD2 LEU 82 10.403 -24.944 28.413 582 2HD2 LEU 82 2HD2 LEU 82 10.211 -26.411 27.452 583 3HD2 LEU 82 3HD2 LEU 82 10.484 -24.862 26.653 584 H THR 83 H THR 83 13.985 -23.657 31.166 585 HA THR 83 HA THR 83 15.713 -21.387 30.497 586 HB THR 83 HB THR 83 14.634 -21.160 32.634 587 HG1 THR 83 HG1 THR 83 16.446 -20.720 33.787 588 1HG2 THR 83 1HG2 THR 83 15.227 -23.995 32.842 589 2HG2 THR 83 2HG2 THR 83 14.038 -23.026 33.712 590 3HG2 THR 83 3HG2 THR 83 15.701 -23.110 34.292 591 H VAL 84 H VAL 84 16.627 -23.182 28.949 592 HA VAL 84 HA VAL 84 18.794 -24.593 30.365 593 HB VAL 84 HB VAL 84 18.903 -25.972 28.203 594 1HG1 VAL 84 1HG1 VAL 84 16.447 -26.937 29.166 595 2HG1 VAL 84 2HG1 VAL 84 18.069 -27.460 29.625 596 3HG1 VAL 84 3HG1 VAL 84 17.259 -26.188 30.540 597 1HG2 VAL 84 1HG2 VAL 84 16.170 -24.735 27.900 598 2HG2 VAL 84 2HG2 VAL 84 17.532 -24.583 26.790 599 3HG2 VAL 84 3HG2 VAL 84 16.739 -26.143 27.003 600 H VAL 85 H VAL 85 17.966 -22.620 27.563 601 HA VAL 85 HA VAL 85 20.455 -22.533 26.311 602 HB VAL 85 HB VAL 85 18.473 -20.259 26.457 603 1HG1 VAL 85 1HG1 VAL 85 20.516 -19.505 25.507 604 2HG1 VAL 85 2HG1 VAL 85 20.668 -20.959 24.517 605 3HG1 VAL 85 3HG1 VAL 85 19.401 -19.781 24.169 606 1HG2 VAL 85 1HG2 VAL 85 18.539 -22.716 24.724 607 2HG2 VAL 85 2HG2 VAL 85 17.230 -22.144 25.757 608 3HG2 VAL 85 3HG2 VAL 85 17.641 -21.263 24.286 609 H GLY 86 H GLY 86 22.334 -21.546 26.741 610 1HA GLY 86 1HA GLY 86 23.000 -19.190 27.761 611 2HA GLY 86 2HA GLY 86 22.542 -20.039 29.230 612 H ASP 87 H ASP 87 25.016 -19.148 29.233 613 HA ASP 87 HA ASP 87 26.867 -21.078 28.139 614 1HB ASP 87 1HB ASP 87 28.560 -19.697 29.434 615 2HB ASP 87 2HB ASP 87 27.663 -18.841 28.183 616 H TRP 88 H TRP 88 26.572 -23.043 29.089 617 HA TRP 88 HA TRP 88 26.503 -24.661 30.701 618 1HB TRP 88 1HB TRP 88 28.455 -23.072 32.316 619 2HB TRP 88 2HB TRP 88 28.443 -24.796 31.954 620 HD1 TRP 88 HD1 TRP 88 29.952 -21.567 30.836 621 HE1 TRP 88 HE1 TRP 88 31.418 -21.956 28.757 622 HE3 TRP 88 HE3 TRP 88 28.498 -26.334 29.698 623 HZ2 TRP 88 HZ2 TRP 88 31.895 -24.011 26.882 624 HZ3 TRP 88 HZ3 TRP 88 29.507 -27.440 27.745 625 HH2 TRP 88 HH2 TRP 88 31.170 -26.301 26.367 626 H LEU 89 H LEU 89 24.408 -22.928 31.023 627 HA LEU 89 HA LEU 89 22.936 -22.010 32.521 628 1HB LEU 89 1HB LEU 89 22.253 -23.509 34.192 629 2HB LEU 89 2HB LEU 89 22.885 -24.509 32.885 630 HG LEU 89 HG LEU 89 24.853 -23.859 34.958 631 1HD1 LEU 89 1HD1 LEU 89 23.023 -24.033 36.464 632 2HD1 LEU 89 2HD1 LEU 89 23.891 -25.566 36.521 633 3HD1 LEU 89 3HD1 LEU 89 22.380 -25.442 35.620 634 1HD2 LEU 89 1HD2 LEU 89 24.526 -25.720 32.946 635 2HD2 LEU 89 2HD2 LEU 89 24.236 -26.646 34.419 636 3HD2 LEU 89 3HD2 LEU 89 25.749 -25.761 34.216 637 H GLY 90 H GLY 90 25.554 -20.832 32.644 638 1HA GLY 90 1HA GLY 90 26.664 -20.531 35.152 639 2HA GLY 90 2HA GLY 90 26.631 -19.265 33.934 640 H ASP 91 H ASP 91 24.407 -18.148 33.766 641 HA ASP 91 HA ASP 91 22.935 -16.714 34.745 642 1HB ASP 91 1HB ASP 91 22.053 -19.108 35.382 643 2HB ASP 91 2HB ASP 91 22.543 -18.637 37.007 644 H ALA 92 H ALA 92 25.520 -16.096 35.317 645 HA ALA 92 HA ALA 92 25.855 -15.719 38.164 646 1HB ALA 92 1HB ALA 92 27.638 -14.244 36.360 647 2HB ALA 92 2HB ALA 92 28.017 -15.323 37.704 648 3HB ALA 92 3HB ALA 92 27.621 -15.992 36.121 649 H ARG 93 H ARG 93 24.858 -14.141 39.217 650 HA ARG 93 HA ARG 93 24.189 -11.669 37.773 651 1HB ARG 93 1HB ARG 93 23.051 -12.542 40.424 652 2HB ARG 93 2HB ARG 93 22.421 -11.325 39.322 653 1HG ARG 93 1HG ARG 93 21.809 -13.025 37.725 654 2HG ARG 93 2HG ARG 93 22.548 -14.274 38.730 655 1HD ARG 93 1HD ARG 93 20.151 -12.574 39.404 656 2HD ARG 93 2HD ARG 93 20.163 -14.303 39.058 657 HE ARG 93 HE ARG 93 21.822 -14.094 41.179 658 1HH1 ARG 93 2HH1 ARG 93 18.590 -12.959 40.559 659 2HH1 ARG 93 1HH1 ARG 93 18.100 -13.047 42.219 660 1HH2 ARG 93 2HH2 ARG 93 21.190 -14.215 43.367 661 2HH2 ARG 93 1HH2 ARG 93 19.580 -13.761 43.815 662 H GLU 94 H GLU 94 25.228 -9.850 38.256 663 HA GLU 94 HA GLU 94 26.520 -9.610 40.886 664 1HB GLU 94 1HB GLU 94 28.049 -10.199 38.830 665 2HB GLU 94 2HB GLU 94 27.865 -8.491 38.459 666 1HG GLU 94 1HG GLU 94 28.998 -7.818 40.356 667 2HG GLU 94 2HG GLU 94 28.715 -9.345 41.189 668 H ASN 95 H ASN 95 26.682 -7.514 41.715 669 HA ASN 95 HA ASN 95 25.071 -5.500 40.289 670 1HB ASN 95 1HB ASN 95 25.356 -5.936 43.270 671 2HB ASN 95 2HB ASN 95 24.467 -4.610 42.527 672 1HD2 ASN 95 2HD2 ASN 95 22.671 -5.204 41.108 673 2HD2 ASN 95 1HD2 ASN 95 21.744 -6.610 41.492 674 H ASP 96 H ASP 96 25.769 -3.371 40.283 675 HA ASP 96 HA ASP 96 28.556 -2.974 41.152 676 1HB ASP 96 1HB ASP 96 28.177 -2.898 38.690 677 2HB ASP 96 2HB ASP 96 27.091 -1.532 38.933 678 H LEU 97 H LEU 97 26.738 -2.611 43.095 679 HA LEU 97 HA LEU 97 26.367 0.307 43.246 680 1HB LEU 97 1HB LEU 97 24.771 -1.990 44.244 681 2HB LEU 97 2HB LEU 97 24.797 -0.520 45.216 682 HG LEU 97 HG LEU 97 22.838 -0.598 43.767 683 1HD1 LEU 97 1HD1 LEU 97 24.403 1.532 44.216 684 2HD1 LEU 97 2HD1 LEU 97 22.894 1.611 43.306 685 3HD1 LEU 97 3HD1 LEU 97 24.434 1.508 42.452 686 1HD2 LEU 97 1HD2 LEU 97 24.453 -0.219 41.315 687 2HD2 LEU 97 2HD2 LEU 97 22.873 -0.974 41.531 688 3HD2 LEU 97 3HD2 LEU 97 24.340 -1.858 41.957 689 H GLU 98 H GLU 98 28.717 0.233 43.849 690 HA GLU 98 HA GLU 98 29.153 -0.597 46.628 691 1HB GLU 98 1HB GLU 98 31.192 0.346 44.606 692 2HB GLU 98 2HB GLU 98 31.521 -0.383 46.171 693 1HG GLU 98 1HG GLU 98 30.149 -2.381 45.201 694 2HG GLU 98 2HG GLU 98 30.570 -1.652 43.652 695 H HIS 99 H HIS 99 27.579 1.415 46.842 696 HA HIS 99 HA HIS 99 29.243 3.822 47.179 697 1HB HIS 99 1HB HIS 99 27.122 3.796 45.644 698 2HB HIS 99 2HB HIS 99 26.246 3.904 47.167 699 HD1 HIS 99 HD1 HIS 99 29.447 5.715 46.236 700 HD2 HIS 99 HD2 HIS 99 25.473 6.515 47.147 701 HE1 HIS 99 HE1 HIS 99 29.279 8.220 46.371 702 H HIS 100 H HIS 100 29.411 1.859 49.106 703 HA HIS 100 HA HIS 100 29.282 1.516 51.352 704 1HB HIS 100 1HB HIS 100 28.446 4.424 51.345 705 2HB HIS 100 2HB HIS 100 28.925 3.513 52.774 706 HD1 HIS 100 HD1 HIS 100 30.302 6.015 50.947 707 HD2 HIS 100 HD2 HIS 100 31.687 2.192 51.800 708 HE1 HIS 100 HE1 HIS 100 32.797 6.123 50.653 709 H HIS 101 H HIS 101 27.210 0.405 50.165 710 HA HIS 101 HA HIS 101 24.775 1.311 51.520 711 1HB HIS 101 1HB HIS 101 25.319 -0.418 49.140 712 2HB HIS 101 2HB HIS 101 23.810 -0.628 50.022 713 HD1 HIS 101 HD1 HIS 101 23.221 2.360 50.624 714 HD2 HIS 101 HD2 HIS 101 24.379 0.872 46.922 715 HE1 HIS 101 HE1 HIS 101 22.400 4.036 48.939 716 H HIS 102 H HIS 102 25.335 0.591 53.615 717 HA HIS 102 HA HIS 102 25.717 -0.929 55.305 718 1HB HIS 102 1HB HIS 102 23.894 -2.586 55.466 719 2HB HIS 102 2HB HIS 102 23.294 -0.987 55.035 720 HD1 HIS 102 HD1 HIS 102 23.642 -4.457 53.732 721 HD2 HIS 102 HD2 HIS 102 22.244 -0.768 52.429 722 HE1 HIS 102 HE1 HIS 102 22.346 -4.933 51.630 723 H HIS 103 H HIS 103 27.584 -1.348 53.301 724 HA HIS 103 HA HIS 103 27.673 -4.236 52.857 725 1HB HIS 103 1HB HIS 103 28.257 -2.341 51.120 726 2HB HIS 103 2HB HIS 103 29.823 -2.378 51.924 727 HD1 HIS 103 HD1 HIS 103 27.450 -4.818 50.225 728 HD2 HIS 103 HD2 HIS 103 31.506 -4.246 50.920 729 HE1 HIS 103 HE1 HIS 103 28.615 -6.649 48.954 730 H HIS 104 H HIS 104 29.329 -1.677 54.594 731 HA HIS 104 HA HIS 104 31.313 -3.553 55.625 732 1HB HIS 104 1HB HIS 104 32.449 -1.640 56.525 733 2HB HIS 104 2HB HIS 104 31.969 -1.249 54.876 734 HD1 HIS 104 HD1 HIS 104 30.284 0.643 54.553 735 HD2 HIS 104 HD2 HIS 104 31.062 -0.220 58.542 736 HE1 HIS 104 HE1 HIS 104 29.258 2.530 55.862 Start of MODEL 16 1 1H ALA 1 H ALA 1 0.165 1.004 -0.869 2 HA ALA 1 HA ALA 1 1.432 0.533 -3.138 3 1HB ALA 1 1HB ALA 1 3.600 0.287 -1.799 4 2HB ALA 1 2HB ALA 1 2.631 1.737 -1.533 5 3HB ALA 1 3HB ALA 1 2.577 0.414 -0.368 6 H GLN 2 H GLN 2 0.591 -1.438 -4.028 7 HA GLN 2 HA GLN 2 1.113 -3.983 -2.921 8 1HB GLN 2 1HB GLN 2 -0.617 -3.500 -4.653 9 2HB GLN 2 2HB GLN 2 0.673 -3.291 -5.830 10 1HG GLN 2 1HG GLN 2 0.586 -5.827 -4.291 11 2HG GLN 2 2HG GLN 2 -0.617 -5.574 -5.556 12 1HE2 GLN 2 2HE2 GLN 2 2.544 -6.507 -4.853 13 2HE2 GLN 2 1HE2 GLN 2 3.140 -6.613 -6.471 14 H VAL 3 H VAL 3 2.968 -5.039 -2.755 15 HA VAL 3 HA VAL 3 5.094 -4.480 -4.718 16 HB VAL 3 HB VAL 3 5.469 -4.979 -1.761 17 1HG1 VAL 3 1HG1 VAL 3 7.442 -4.622 -4.007 18 2HG1 VAL 3 2HG1 VAL 3 7.869 -4.441 -2.304 19 3HG1 VAL 3 3HG1 VAL 3 7.284 -5.992 -2.908 20 1HG2 VAL 3 1HG2 VAL 3 5.033 -2.779 -1.652 21 2HG2 VAL 3 2HG2 VAL 3 6.655 -2.592 -2.319 22 3HG2 VAL 3 3HG2 VAL 3 5.252 -2.548 -3.387 23 H ASN 4 H ASN 4 5.544 -6.229 -5.869 24 HA ASN 4 HA ASN 4 5.264 -8.869 -4.588 25 1HB ASN 4 1HB ASN 4 3.617 -8.879 -6.242 26 2HB ASN 4 2HB ASN 4 4.598 -7.938 -7.363 27 1HD2 ASN 4 2HD2 ASN 4 4.534 -9.297 -9.071 28 2HD2 ASN 4 1HD2 ASN 4 5.215 -10.885 -9.070 29 H ILE 5 H ILE 5 7.202 -9.678 -4.147 30 HA ILE 5 HA ILE 5 9.373 -9.259 -6.097 31 HB ILE 5 HB ILE 5 9.626 -9.696 -3.119 32 1HG1 ILE 5 1HG1 ILE 5 10.437 -7.233 -4.645 33 2HG1 ILE 5 2HG1 ILE 5 8.800 -7.421 -4.025 34 1HG2 ILE 5 1HG2 ILE 5 11.492 -10.702 -4.197 35 2HG2 ILE 5 2HG2 ILE 5 11.687 -9.324 -5.280 36 3HG2 ILE 5 3HG2 ILE 5 12.035 -9.150 -3.560 37 1HD1 ILE 5 1HD1 ILE 5 11.241 -7.631 -2.291 38 2HD1 ILE 5 2HD1 ILE 5 10.378 -6.119 -2.577 39 3HD1 ILE 5 3HD1 ILE 5 9.559 -7.468 -1.788 40 H ALA 6 H ALA 6 10.507 -10.998 -6.812 41 HA ALA 6 HA ALA 6 9.378 -13.613 -6.249 42 1HB ALA 6 1HB ALA 6 10.282 -14.317 -8.228 43 2HB ALA 6 2HB ALA 6 10.112 -12.593 -8.562 44 3HB ALA 6 3HB ALA 6 11.681 -13.251 -8.097 45 HA PRO 7 HA PRO 7 12.510 -14.595 -3.267 46 1HB PRO 7 1HB PRO 7 11.918 -17.235 -3.040 47 2HB PRO 7 2HB PRO 7 10.935 -15.963 -2.305 48 1HG PRO 7 1HG PRO 7 10.491 -17.466 -4.856 49 2HG PRO 7 2HG PRO 7 9.321 -17.029 -3.597 50 1HD PRO 7 1HD PRO 7 9.558 -15.642 -5.911 51 2HD PRO 7 2HD PRO 7 9.096 -14.872 -4.380 52 H GLY 8 H GLY 8 13.808 -16.986 -3.094 53 1HA GLY 8 1HA GLY 8 15.135 -18.528 -4.364 54 2HA GLY 8 2HA GLY 8 15.044 -17.424 -5.729 55 H SER 9 H SER 9 15.574 -15.665 -2.953 56 HA SER 9 HA SER 9 18.283 -16.011 -2.406 57 1HB SER 9 1HB SER 9 17.701 -14.440 -4.844 58 2HB SER 9 2HB SER 9 18.852 -13.710 -3.725 59 HG SER 9 HG SER 9 20.149 -15.506 -3.907 60 H LEU 10 H LEU 10 18.056 -15.343 -0.367 61 HA LEU 10 HA LEU 10 16.306 -13.403 0.581 62 1HB LEU 10 1HB LEU 10 17.482 -15.112 1.947 63 2HB LEU 10 2HB LEU 10 18.961 -14.166 1.787 64 HG LEU 10 HG LEU 10 16.566 -12.828 2.936 65 1HD1 LEU 10 1HD1 LEU 10 17.210 -15.271 3.934 66 2HD1 LEU 10 2HD1 LEU 10 16.495 -13.958 4.870 67 3HD1 LEU 10 3HD1 LEU 10 18.240 -14.215 4.902 68 1HD2 LEU 10 1HD2 LEU 10 19.161 -12.100 2.506 69 2HD2 LEU 10 2HD2 LEU 10 19.197 -12.598 4.197 70 3HD2 LEU 10 3HD2 LEU 10 18.074 -11.343 3.670 71 H ASP 11 H ASP 11 19.666 -13.105 -0.468 72 HA ASP 11 HA ASP 11 20.152 -10.482 0.330 73 1HB ASP 11 1HB ASP 11 22.030 -11.648 -0.430 74 2HB ASP 11 2HB ASP 11 21.221 -12.184 -1.901 75 H LYS 12 H LYS 12 18.908 -11.662 -2.791 76 HA LYS 12 HA LYS 12 18.514 -9.095 -3.908 77 1HB LYS 12 1HB LYS 12 17.213 -11.740 -4.579 78 2HB LYS 12 2HB LYS 12 17.087 -10.286 -5.561 79 1HG LYS 12 1HG LYS 12 19.586 -11.851 -4.959 80 2HG LYS 12 2HG LYS 12 18.744 -11.738 -6.506 81 1HD LYS 12 1HD LYS 12 20.098 -9.470 -5.046 82 2HD LYS 12 2HD LYS 12 20.711 -10.298 -6.479 83 1HE LYS 12 1HE LYS 12 18.133 -8.739 -6.327 84 2HE LYS 12 2HE LYS 12 19.642 -8.149 -7.021 85 1HZ LYS 12 1HZ LYS 12 19.536 -9.804 -8.713 86 2HZ LYS 12 2HZ LYS 12 18.038 -9.019 -8.674 87 3HZ LYS 12 3HZ LYS 12 18.205 -10.558 -7.990 88 H ALA 13 H ALA 13 16.243 -11.383 -2.399 89 HA ALA 13 HA ALA 13 13.899 -9.967 -2.642 90 1HB ALA 13 1HB ALA 13 13.520 -12.020 -1.737 91 2HB ALA 13 2HB ALA 13 14.923 -11.933 -0.671 92 3HB ALA 13 3HB ALA 13 13.451 -11.051 -0.264 93 H LEU 14 H LEU 14 16.500 -9.503 -0.313 94 HA LEU 14 HA LEU 14 15.129 -7.638 1.327 95 1HB LEU 14 1HB LEU 14 16.918 -8.484 2.442 96 2HB LEU 14 2HB LEU 14 17.919 -8.567 0.995 97 HG LEU 14 HG LEU 14 18.241 -6.105 1.147 98 1HD1 LEU 14 1HD1 LEU 14 16.410 -5.299 2.339 99 2HD1 LEU 14 2HD1 LEU 14 17.745 -5.168 3.483 100 3HD1 LEU 14 3HD1 LEU 14 16.594 -6.497 3.620 101 1HD2 LEU 14 1HD2 LEU 14 19.543 -6.330 3.437 102 2HD2 LEU 14 2HD2 LEU 14 20.078 -7.168 1.980 103 3HD2 LEU 14 3HD2 LEU 14 19.159 -8.037 3.210 104 H ASN 15 H ASN 15 17.459 -7.255 -1.329 105 HA ASN 15 HA ASN 15 17.494 -4.429 -1.272 106 1HB ASN 15 1HB ASN 15 18.272 -6.482 -3.327 107 2HB ASN 15 2HB ASN 15 18.326 -4.762 -3.706 108 1HD2 ASN 15 2HD2 ASN 15 19.534 -7.223 -1.504 109 2HD2 ASN 15 1HD2 ASN 15 21.004 -6.407 -1.107 110 H GLN 16 H GLN 16 15.431 -6.770 -2.858 111 HA GLN 16 HA GLN 16 14.200 -5.114 -4.741 112 1HB GLN 16 1HB GLN 16 12.990 -7.432 -3.223 113 2HB GLN 16 2HB GLN 16 12.355 -6.736 -4.708 114 1HG GLN 16 1HG GLN 16 15.135 -7.518 -4.962 115 2HG GLN 16 2HG GLN 16 14.093 -8.864 -4.502 116 1HE2 GLN 16 2HE2 GLN 16 14.968 -9.469 -6.724 117 2HE2 GLN 16 1HE2 GLN 16 13.978 -9.036 -8.072 118 H TYR 17 H TYR 17 13.051 -5.982 -1.477 119 HA TYR 17 HA TYR 17 10.935 -4.062 -1.543 120 1HB TYR 17 1HB TYR 17 10.265 -4.957 0.455 121 2HB TYR 17 2HB TYR 17 11.267 -6.286 -0.118 122 HD1 TYR 17 HD1 TYR 17 13.320 -6.855 0.981 123 HD2 TYR 17 HD2 TYR 17 11.099 -3.442 2.214 124 HE1 TYR 17 HE1 TYR 17 14.693 -6.705 3.016 125 HE2 TYR 17 HE2 TYR 17 12.467 -3.282 4.252 126 HH TYR 17 HH TYR 17 14.909 -5.719 5.022 127 H ALA 18 H ALA 18 14.215 -4.125 -0.312 128 HA ALA 18 HA ALA 18 14.151 -1.899 1.365 129 1HB ALA 18 1HB ALA 18 16.052 -3.356 1.360 130 2HB ALA 18 2HB ALA 18 16.397 -2.979 -0.329 131 3HB ALA 18 3HB ALA 18 16.593 -1.738 0.909 132 H ALA 19 H ALA 19 14.790 -2.097 -2.122 133 HA ALA 19 HA ALA 19 15.193 0.717 -2.424 134 1HB ALA 19 1HB ALA 19 14.461 -1.166 -4.646 135 2HB ALA 19 2HB ALA 19 15.442 0.298 -4.717 136 3HB ALA 19 3HB ALA 19 16.073 -1.148 -3.929 137 H HIS 20 H HIS 20 12.436 -1.365 -2.378 138 HA HIS 20 HA HIS 20 10.668 0.372 -3.806 139 1HB HIS 20 1HB HIS 20 10.378 -2.118 -2.189 140 2HB HIS 20 2HB HIS 20 8.941 -1.140 -2.470 141 HD1 HIS 20 HD1 HIS 20 9.394 -0.316 -5.381 142 HD2 HIS 20 HD2 HIS 20 10.020 -4.163 -3.942 143 HE1 HIS 20 HE1 HIS 20 9.211 -1.822 -7.386 144 H SER 21 H SER 21 11.753 0.109 -0.525 145 HA SER 21 HA SER 21 9.631 1.825 0.484 146 1HB SER 21 1HB SER 21 11.990 0.502 1.838 147 2HB SER 21 2HB SER 21 10.839 1.543 2.674 148 HG SER 21 HG SER 21 10.408 -0.978 1.485 149 H GLY 22 H GLY 22 13.197 1.906 0.691 150 1HA GLY 22 1HA GLY 22 14.286 3.915 -0.305 151 2HA GLY 22 2HA GLY 22 13.015 4.849 0.470 152 H PHE 23 H PHE 23 14.364 2.141 2.148 153 HA PHE 23 HA PHE 23 15.931 3.981 3.834 154 1HB PHE 23 1HB PHE 23 15.159 2.970 5.797 155 2HB PHE 23 2HB PHE 23 13.713 3.057 4.796 156 HD1 PHE 23 HD1 PHE 23 15.601 0.999 6.873 157 HD2 PHE 23 HD2 PHE 23 13.344 0.916 3.266 158 HE1 PHE 23 HE1 PHE 23 15.287 -1.428 7.129 159 HE2 PHE 23 HE2 PHE 23 13.025 -1.510 3.516 160 HZ PHE 23 HZ PHE 23 13.997 -2.686 5.450 161 H THR 24 H THR 24 17.513 2.711 5.259 162 HA THR 24 HA THR 24 18.875 0.747 3.544 163 HB THR 24 HB THR 24 20.062 2.390 5.788 164 HG1 THR 24 HG1 THR 24 20.003 2.778 2.971 165 1HG2 THR 24 1HG2 THR 24 21.514 0.618 5.588 166 2HG2 THR 24 2HG2 THR 24 22.172 1.706 4.365 167 3HG2 THR 24 3HG2 THR 24 21.136 0.362 3.885 168 H LEU 25 H LEU 25 19.756 -1.142 4.441 169 HA LEU 25 HA LEU 25 18.968 -1.800 7.187 170 1HB LEU 25 1HB LEU 25 17.248 -2.642 5.598 171 2HB LEU 25 2HB LEU 25 18.497 -3.623 4.833 172 HG LEU 25 HG LEU 25 18.625 -4.334 7.512 173 1HD1 LEU 25 1HD1 LEU 25 16.405 -3.073 7.672 174 2HD1 LEU 25 2HD1 LEU 25 16.461 -4.720 8.300 175 3HD1 LEU 25 3HD1 LEU 25 15.731 -4.400 6.726 176 1HD2 LEU 25 1HD2 LEU 25 18.704 -5.658 5.291 177 2HD2 LEU 25 2HD2 LEU 25 16.964 -5.834 5.524 178 3HD2 LEU 25 3HD2 LEU 25 18.084 -6.452 6.740 179 H SER 26 H SER 26 20.377 -3.104 8.270 180 HA SER 26 HA SER 26 22.729 -4.048 6.764 181 1HB SER 26 1HB SER 26 22.821 -2.051 8.584 182 2HB SER 26 2HB SER 26 23.065 -3.439 9.645 183 HG SER 26 HG SER 26 24.719 -2.376 7.705 184 H VAL 27 H VAL 27 22.395 -6.185 6.580 185 HA VAL 27 HA VAL 27 21.990 -7.704 9.067 186 HB VAL 27 HB VAL 27 19.869 -7.842 8.026 187 1HG1 VAL 27 1HG1 VAL 27 21.442 -8.135 5.502 188 2HG1 VAL 27 2HG1 VAL 27 19.796 -8.765 5.594 189 3HG1 VAL 27 3HG1 VAL 27 20.102 -7.049 5.868 190 1HG2 VAL 27 1HG2 VAL 27 21.215 -10.026 8.660 191 2HG2 VAL 27 2HG2 VAL 27 19.603 -10.111 7.949 192 3HG2 VAL 27 3HG2 VAL 27 21.027 -10.355 6.938 193 H ASP 28 H ASP 28 23.236 -9.492 9.309 194 HA ASP 28 HA ASP 28 25.468 -9.810 7.535 195 1HB ASP 28 1HB ASP 28 24.604 -11.283 10.025 196 2HB ASP 28 2HB ASP 28 26.062 -11.691 9.125 197 H ALA 29 H ALA 29 24.792 -10.574 5.569 198 HA ALA 29 HA ALA 29 22.987 -12.777 5.300 199 1HB ALA 29 1HB ALA 29 22.993 -12.308 3.093 200 2HB ALA 29 2HB ALA 29 23.729 -10.800 3.636 201 3HB ALA 29 3HB ALA 29 24.744 -12.108 3.029 202 H SER 30 H SER 30 26.181 -12.612 6.209 203 HA SER 30 HA SER 30 27.504 -14.617 4.864 204 1HB SER 30 1HB SER 30 28.251 -13.057 6.847 205 2HB SER 30 2HB SER 30 27.793 -14.439 7.841 206 HG SER 30 HG SER 30 29.528 -15.434 7.208 207 H LEU 31 H LEU 31 25.394 -14.951 7.705 208 HA LEU 31 HA LEU 31 25.596 -17.814 7.719 209 1HB LEU 31 1HB LEU 31 23.408 -16.327 9.099 210 2HB LEU 31 2HB LEU 31 24.276 -17.772 9.614 211 HG LEU 31 HG LEU 31 26.263 -15.913 9.656 212 1HD1 LEU 31 1HD1 LEU 31 24.319 -14.244 9.167 213 2HD1 LEU 31 2HD1 LEU 31 25.552 -13.844 10.362 214 3HD1 LEU 31 3HD1 LEU 31 23.978 -14.441 10.886 215 1HD2 LEU 31 1HD2 LEU 31 24.522 -17.241 11.592 216 2HD2 LEU 31 2HD2 LEU 31 25.259 -15.756 12.194 217 3HD2 LEU 31 3HD2 LEU 31 26.276 -17.060 11.578 218 H THR 32 H THR 32 23.486 -15.451 6.295 219 HA THR 32 HA THR 32 21.285 -17.169 5.772 220 HB THR 32 HB THR 32 22.124 -14.608 4.400 221 HG1 THR 32 HG1 THR 32 20.377 -15.224 6.551 222 1HG2 THR 32 1HG2 THR 32 20.672 -15.948 2.953 223 2HG2 THR 32 2HG2 THR 32 19.827 -14.521 3.551 224 3HG2 THR 32 3HG2 THR 32 19.501 -16.101 4.262 225 H ARG 33 H ARG 33 24.288 -16.502 4.122 226 HA ARG 33 HA ARG 33 23.759 -17.345 1.554 227 1HB ARG 33 1HB ARG 33 26.122 -17.105 3.247 228 2HB ARG 33 2HB ARG 33 26.269 -18.399 2.066 229 1HG ARG 33 1HG ARG 33 25.567 -15.542 1.424 230 2HG ARG 33 2HG ARG 33 27.170 -16.263 1.258 231 1HD ARG 33 1HD ARG 33 25.073 -17.804 -0.057 232 2HD ARG 33 2HD ARG 33 25.229 -16.166 -0.690 233 HE ARG 33 HE ARG 33 27.746 -17.509 -0.436 234 1HH1 ARG 33 2HH1 ARG 33 24.948 -17.088 -2.463 235 2HH1 ARG 33 1HH1 ARG 33 25.780 -17.510 -3.923 236 1HH2 ARG 33 2HH2 ARG 33 28.853 -18.066 -2.351 237 2HH2 ARG 33 1HH2 ARG 33 28.001 -18.067 -3.858 238 H GLY 34 H GLY 34 22.529 -19.089 1.129 239 1HA GLY 34 1HA GLY 34 23.447 -21.640 1.030 240 2HA GLY 34 2HA GLY 34 22.775 -21.529 2.650 241 H LYS 35 H LYS 35 20.537 -20.052 2.333 242 HA LYS 35 HA LYS 35 18.962 -21.558 0.350 243 1HB LYS 35 1HB LYS 35 17.177 -21.804 1.890 244 2HB LYS 35 2HB LYS 35 18.633 -22.264 2.762 245 1HG LYS 35 1HG LYS 35 18.366 -19.541 3.238 246 2HG LYS 35 2HG LYS 35 16.723 -20.180 3.331 247 1HD LYS 35 1HD LYS 35 17.204 -21.525 5.131 248 2HD LYS 35 2HD LYS 35 18.915 -21.651 4.715 249 1HE LYS 35 1HE LYS 35 19.266 -20.147 6.327 250 2HE LYS 35 2HE LYS 35 18.584 -18.963 5.213 251 1HZ LYS 35 1HZ LYS 35 17.359 -18.689 7.146 252 2HZ LYS 35 2HZ LYS 35 17.266 -20.348 7.461 253 3HZ LYS 35 3HZ LYS 35 16.355 -19.673 6.205 254 H GLN 36 H GLN 36 16.683 -20.441 0.154 255 HA GLN 36 HA GLN 36 17.217 -17.595 -0.354 256 1HB GLN 36 1HB GLN 36 15.221 -17.809 -1.913 257 2HB GLN 36 2HB GLN 36 16.681 -18.665 -2.391 258 1HG GLN 36 1HG GLN 36 14.607 -20.107 -0.818 259 2HG GLN 36 2HG GLN 36 14.340 -19.813 -2.535 260 1HE2 GLN 36 2HE2 GLN 36 16.491 -20.271 -3.825 261 2HE2 GLN 36 1HE2 GLN 36 17.182 -21.822 -3.506 262 H SER 37 H SER 37 15.262 -16.160 -0.219 263 HA SER 37 HA SER 37 13.686 -16.876 2.165 264 1HB SER 37 1HB SER 37 14.095 -14.835 3.030 265 2HB SER 37 2HB SER 37 15.372 -14.716 1.819 266 HG SER 37 HG SER 37 12.721 -13.733 1.664 267 H ASN 38 H ASN 38 11.507 -15.997 2.289 268 HA ASN 38 HA ASN 38 10.105 -16.354 -0.190 269 1HB ASN 38 1HB ASN 38 9.263 -17.156 2.035 270 2HB ASN 38 2HB ASN 38 8.981 -15.474 2.475 271 1HD2 ASN 38 2HD2 ASN 38 8.090 -18.018 0.228 272 2HD2 ASN 38 1HD2 ASN 38 6.535 -17.377 -0.170 273 H GLY 39 H GLY 39 9.548 -14.831 -1.601 274 1HA GLY 39 1HA GLY 39 10.256 -12.112 -1.234 275 2HA GLY 39 2HA GLY 39 9.305 -12.759 -2.563 276 H LEU 40 H LEU 40 8.225 -10.620 -2.260 277 HA LEU 40 HA LEU 40 6.225 -10.729 -0.102 278 1HB LEU 40 1HB LEU 40 7.738 -8.762 -0.124 279 2HB LEU 40 2HB LEU 40 7.104 -8.338 -1.713 280 HG LEU 40 HG LEU 40 4.911 -7.930 -0.761 281 1HD1 LEU 40 1HD1 LEU 40 6.017 -9.403 1.469 282 2HD1 LEU 40 2HD1 LEU 40 4.336 -9.047 1.072 283 3HD1 LEU 40 3HD1 LEU 40 5.293 -7.879 1.983 284 1HD2 LEU 40 1HD2 LEU 40 6.863 -6.228 -0.675 285 2HD2 LEU 40 2HD2 LEU 40 6.813 -6.515 1.065 286 3HD2 LEU 40 3HD2 LEU 40 5.388 -5.893 0.232 287 H HIS 41 H HIS 41 4.062 -9.939 -0.631 288 HA HIS 41 HA HIS 41 3.263 -9.735 -3.379 289 1HB HIS 41 1HB HIS 41 3.517 -12.301 -2.567 290 2HB HIS 41 2HB HIS 41 1.860 -11.985 -2.062 291 HD1 HIS 41 HD1 HIS 41 0.104 -11.617 -3.916 292 HD2 HIS 41 HD2 HIS 41 3.933 -12.380 -5.338 293 HE1 HIS 41 HE1 HIS 41 -0.173 -12.096 -6.369 294 H GLY 42 H GLY 42 2.132 -7.905 -2.986 295 1HA GLY 42 1HA GLY 42 -0.288 -7.395 -2.521 296 2HA GLY 42 2HA GLY 42 0.026 -8.045 -0.919 297 H ASP 43 H ASP 43 -0.977 -5.717 -0.688 298 HA ASP 43 HA ASP 43 0.982 -3.595 -0.890 299 1HB ASP 43 1HB ASP 43 -1.169 -2.811 -1.340 300 2HB ASP 43 2HB ASP 43 -1.890 -3.750 -0.036 301 H TYR 44 H TYR 44 2.522 -3.375 0.582 302 HA TYR 44 HA TYR 44 1.840 -3.540 3.409 303 1HB TYR 44 1HB TYR 44 4.063 -5.172 2.166 304 2HB TYR 44 2HB TYR 44 3.809 -4.971 3.896 305 HD1 TYR 44 HD1 TYR 44 2.944 -6.858 0.982 306 HD2 TYR 44 HD2 TYR 44 1.606 -5.802 4.881 307 HE1 TYR 44 HE1 TYR 44 1.421 -8.789 0.976 308 HE2 TYR 44 HE2 TYR 44 0.080 -7.730 4.886 309 HH TYR 44 HH TYR 44 -0.399 -9.702 2.025 310 H ASP 45 H ASP 45 2.774 -1.950 4.522 311 HA ASP 45 HA ASP 45 4.267 0.067 3.306 312 1HB ASP 45 1HB ASP 45 2.962 -0.126 5.649 313 2HB ASP 45 2HB ASP 45 4.615 -0.310 6.229 314 H VAL 46 H VAL 46 6.445 0.791 4.491 315 HA VAL 46 HA VAL 46 8.474 -0.834 3.507 316 HB VAL 46 HB VAL 46 8.942 1.471 3.908 317 1HG1 VAL 46 1HG1 VAL 46 8.640 1.007 6.867 318 2HG1 VAL 46 2HG1 VAL 46 8.868 2.541 6.027 319 3HG1 VAL 46 3HG1 VAL 46 7.353 1.655 5.852 320 1HG2 VAL 46 1HG2 VAL 46 10.789 -0.204 4.212 321 2HG2 VAL 46 2HG2 VAL 46 11.053 1.350 5.003 322 3HG2 VAL 46 3HG2 VAL 46 10.550 -0.049 5.952 323 H GLU 47 H GLU 47 7.343 -0.472 6.862 324 HA GLU 47 HA GLU 47 9.125 -2.473 7.867 325 1HB GLU 47 1HB GLU 47 7.334 -0.535 8.954 326 2HB GLU 47 2HB GLU 47 6.927 -2.103 9.636 327 1HG GLU 47 1HG GLU 47 9.540 -0.639 9.780 328 2HG GLU 47 2HG GLU 47 8.484 -1.129 11.103 329 H SER 48 H SER 48 5.620 -2.363 7.264 330 HA SER 48 HA SER 48 4.950 -4.917 8.080 331 1HB SER 48 1HB SER 48 3.558 -2.874 6.998 332 2HB SER 48 2HB SER 48 3.623 -3.956 5.607 333 HG SER 48 HG SER 48 1.848 -4.152 7.313 334 H GLY 49 H GLY 49 5.917 -3.874 4.810 335 1HA GLY 49 1HA GLY 49 5.860 -6.462 3.673 336 2HA GLY 49 2HA GLY 49 6.704 -5.068 3.014 337 H LEU 50 H LEU 50 8.412 -4.638 5.280 338 HA LEU 50 HA LEU 50 10.602 -6.202 4.578 339 1HB LEU 50 1HB LEU 50 11.252 -4.311 5.662 340 2HB LEU 50 2HB LEU 50 9.930 -4.393 6.824 341 HG LEU 50 HG LEU 50 11.120 -6.110 8.079 342 1HD1 LEU 50 1HD1 LEU 50 12.525 -6.478 5.692 343 2HD1 LEU 50 2HD1 LEU 50 12.780 -7.307 7.227 344 3HD1 LEU 50 3HD1 LEU 50 13.703 -5.854 6.847 345 1HD2 LEU 50 1HD2 LEU 50 11.968 -3.400 7.724 346 2HD2 LEU 50 2HD2 LEU 50 13.361 -4.410 8.113 347 3HD2 LEU 50 3HD2 LEU 50 11.962 -4.383 9.188 348 H GLN 51 H GLN 51 8.550 -6.479 7.481 349 HA GLN 51 HA GLN 51 9.778 -8.828 8.447 350 1HB GLN 51 1HB GLN 51 6.968 -7.839 8.958 351 2HB GLN 51 2HB GLN 51 7.847 -9.011 9.931 352 1HG GLN 51 1HG GLN 51 9.244 -6.469 9.575 353 2HG GLN 51 2HG GLN 51 7.705 -6.339 10.425 354 1HE2 GLN 51 2HE2 GLN 51 10.847 -7.897 10.429 355 2HE2 GLN 51 1HE2 GLN 51 10.876 -8.259 12.118 356 H GLN 52 H GLN 52 7.392 -8.270 6.015 357 HA GLN 52 HA GLN 52 6.310 -10.925 6.015 358 1HB GLN 52 1HB GLN 52 5.643 -8.466 4.834 359 2HB GLN 52 2HB GLN 52 5.990 -9.553 3.496 360 1HG GLN 52 1HG GLN 52 4.010 -10.030 5.711 361 2HG GLN 52 2HG GLN 52 3.636 -9.591 4.045 362 1HE2 GLN 52 2HE2 GLN 52 4.834 -11.142 2.440 363 2HE2 GLN 52 1HE2 GLN 52 4.606 -12.822 2.771 364 H LEU 53 H LEU 53 9.016 -9.338 4.546 365 HA LEU 53 HA LEU 53 9.429 -11.236 2.453 366 1HB LEU 53 1HB LEU 53 10.796 -8.880 3.530 367 2HB LEU 53 2HB LEU 53 11.880 -10.109 2.882 368 HG LEU 53 HG LEU 53 11.574 -8.794 1.035 369 1HD1 LEU 53 1HD1 LEU 53 10.692 -11.189 0.730 370 2HD1 LEU 53 2HD1 LEU 53 10.330 -9.997 -0.517 371 3HD1 LEU 53 3HD1 LEU 53 9.098 -10.437 0.666 372 1HD2 LEU 53 1HD2 LEU 53 10.065 -7.191 2.004 373 2HD2 LEU 53 2HD2 LEU 53 8.734 -8.346 1.944 374 3HD2 LEU 53 3HD2 LEU 53 9.421 -7.713 0.447 375 H LEU 54 H LEU 54 11.151 -10.630 5.518 376 HA LEU 54 HA LEU 54 12.601 -13.109 5.310 377 1HB LEU 54 1HB LEU 54 13.882 -12.337 7.002 378 2HB LEU 54 2HB LEU 54 13.192 -10.799 6.487 379 HG LEU 54 HG LEU 54 13.036 -10.723 8.803 380 1HD1 LEU 54 1HD1 LEU 54 10.373 -11.916 8.597 381 2HD1 LEU 54 2HD1 LEU 54 10.744 -10.749 7.329 382 3HD1 LEU 54 3HD1 LEU 54 10.855 -10.274 9.023 383 1HD2 LEU 54 1HD2 LEU 54 11.660 -13.201 9.400 384 2HD2 LEU 54 2HD2 LEU 54 13.108 -12.508 10.132 385 3HD2 LEU 54 3HD2 LEU 54 13.239 -13.484 8.668 386 H ASP 55 H ASP 55 9.498 -12.388 6.161 387 HA ASP 55 HA ASP 55 8.900 -13.705 8.486 388 1HB ASP 55 1HB ASP 55 7.065 -12.689 7.502 389 2HB ASP 55 2HB ASP 55 7.416 -13.358 5.911 390 H GLY 56 H GLY 56 9.429 -15.662 9.183 391 1HA GLY 56 1HA GLY 56 8.684 -18.070 8.203 392 2HA GLY 56 2HA GLY 56 10.175 -17.751 7.329 393 H SER 57 H SER 57 11.173 -16.233 9.750 394 HA SER 57 HA SER 57 11.871 -18.591 11.375 395 1HB SER 57 1HB SER 57 14.033 -17.300 11.835 396 2HB SER 57 2HB SER 57 13.848 -17.983 10.219 397 HG SER 57 HG SER 57 13.025 -15.345 10.762 398 H GLY 58 H GLY 58 11.012 -15.200 11.347 399 1HA GLY 58 1HA GLY 58 9.959 -13.977 13.009 400 2HA GLY 58 2HA GLY 58 10.073 -15.377 14.065 401 H LEU 59 H LEU 59 11.626 -12.460 12.980 402 HA LEU 59 HA LEU 59 13.478 -12.671 15.255 403 1HB LEU 59 1HB LEU 59 14.056 -12.097 12.405 404 2HB LEU 59 2HB LEU 59 14.941 -11.166 13.611 405 HG LEU 59 HG LEU 59 15.300 -13.697 14.534 406 1HD1 LEU 59 1HD1 LEU 59 14.143 -14.272 12.201 407 2HD1 LEU 59 2HD1 LEU 59 15.409 -15.272 12.911 408 3HD1 LEU 59 3HD1 LEU 59 15.810 -14.108 11.649 409 1HD2 LEU 59 1HD2 LEU 59 17.309 -12.743 14.447 410 2HD2 LEU 59 2HD2 LEU 59 16.832 -11.687 13.117 411 3HD2 LEU 59 3HD2 LEU 59 17.415 -13.318 12.783 412 H GLN 60 H GLN 60 14.525 -10.392 15.618 413 HA GLN 60 HA GLN 60 12.341 -8.417 15.529 414 1HB GLN 60 1HB GLN 60 13.512 -7.437 17.567 415 2HB GLN 60 2HB GLN 60 12.677 -8.967 17.798 416 1HG GLN 60 1HG GLN 60 14.675 -9.271 18.920 417 2HG GLN 60 2HG GLN 60 14.964 -10.046 17.363 418 1HE2 GLN 60 2HE2 GLN 60 17.221 -9.746 18.019 419 2HE2 GLN 60 1HE2 GLN 60 17.994 -8.244 17.655 420 H VAL 61 H VAL 61 12.749 -6.392 14.791 421 HA VAL 61 HA VAL 61 15.479 -5.871 13.809 422 HB VAL 61 HB VAL 61 13.001 -4.576 12.698 423 1HG1 VAL 61 1HG1 VAL 61 15.244 -5.084 10.924 424 2HG1 VAL 61 2HG1 VAL 61 14.386 -3.579 11.260 425 3HG1 VAL 61 3HG1 VAL 61 15.696 -4.104 12.319 426 1HG2 VAL 61 1HG2 VAL 61 13.848 -7.330 12.410 427 2HG2 VAL 61 2HG2 VAL 61 12.362 -6.546 11.873 428 3HG2 VAL 61 3HG2 VAL 61 13.805 -6.491 10.860 429 H LYS 62 H LYS 62 16.396 -3.865 14.134 430 HA LYS 62 HA LYS 62 14.874 -1.825 15.555 431 1HB LYS 62 1HB LYS 62 16.582 -1.601 17.308 432 2HB LYS 62 2HB LYS 62 15.815 -3.184 17.349 433 1HG LYS 62 1HG LYS 62 18.366 -2.824 15.847 434 2HG LYS 62 2HG LYS 62 18.393 -2.968 17.606 435 1HD LYS 62 1HD LYS 62 16.689 -4.998 16.745 436 2HD LYS 62 2HD LYS 62 18.026 -5.011 15.593 437 1HE LYS 62 1HE LYS 62 18.796 -6.424 17.252 438 2HE LYS 62 2HE LYS 62 19.515 -4.883 17.715 439 1HZ LYS 62 1HZ LYS 62 16.901 -5.668 18.816 440 2HZ LYS 62 2HZ LYS 62 18.070 -4.636 19.471 441 3HZ LYS 62 3HZ LYS 62 18.317 -6.310 19.483 442 HA PRO 63 HA PRO 63 17.225 0.792 12.899 443 1HB PRO 63 1HB PRO 63 16.805 3.149 14.178 444 2HB PRO 63 2HB PRO 63 15.561 2.344 13.213 445 1HG PRO 63 1HG PRO 63 15.947 2.350 16.182 446 2HG PRO 63 2HG PRO 63 14.449 2.515 15.248 447 1HD PRO 63 1HD PRO 63 15.195 0.183 16.406 448 2HD PRO 63 2HD PRO 63 14.274 0.244 14.889 449 H LEU 64 H LEU 64 19.094 2.186 12.891 450 HA LEU 64 HA LEU 64 20.740 1.974 15.325 451 1HB LEU 64 1HB LEU 64 21.997 2.010 12.624 452 2HB LEU 64 2HB LEU 64 22.604 1.336 14.135 453 HG LEU 64 HG LEU 64 20.376 0.122 12.505 454 1HD1 LEU 64 1HD1 LEU 64 22.460 0.072 11.251 455 2HD1 LEU 64 2HD1 LEU 64 22.032 -1.542 11.819 456 3HD1 LEU 64 3HD1 LEU 64 23.294 -0.625 12.641 457 1HD2 LEU 64 1HD2 LEU 64 20.013 -0.968 14.421 458 2HD2 LEU 64 2HD2 LEU 64 21.532 -0.415 15.128 459 3HD2 LEU 64 3HD2 LEU 64 21.514 -1.824 14.067 460 H GLY 65 H GLY 65 20.854 3.618 12.154 461 1HA GLY 65 1HA GLY 65 21.175 6.166 13.602 462 2HA GLY 65 2HA GLY 65 22.282 5.738 12.307 463 H ASN 66 H ASN 66 21.814 6.488 10.352 464 HA ASN 66 HA ASN 66 19.495 8.032 9.870 465 1HB ASN 66 1HB ASN 66 21.974 7.589 8.595 466 2HB ASN 66 2HB ASN 66 20.733 7.181 7.414 467 1HD2 ASN 66 2HD2 ASN 66 18.761 8.902 7.856 468 2HD2 ASN 66 1HD2 ASN 66 19.291 10.533 7.647 469 H ASN 67 H ASN 67 17.684 6.740 10.238 470 HA ASN 67 HA ASN 67 16.138 5.077 9.865 471 1HB ASN 67 1HB ASN 67 15.377 5.057 7.472 472 2HB ASN 67 2HB ASN 67 15.506 6.666 8.177 473 1HD2 ASN 67 2HD2 ASN 67 17.188 4.324 6.154 474 2HD2 ASN 67 1HD2 ASN 67 18.059 5.487 5.218 475 H SER 68 H SER 68 18.735 3.994 10.170 476 HA SER 68 HA SER 68 18.818 1.843 8.173 477 1HB SER 68 1HB SER 68 20.964 1.974 10.194 478 2HB SER 68 2HB SER 68 21.069 1.756 8.447 479 HG SER 68 HG SER 68 21.821 3.744 8.629 480 H TRP 69 H TRP 69 17.874 -0.004 8.689 481 HA TRP 69 HA TRP 69 17.557 -0.691 11.530 482 1HB TRP 69 1HB TRP 69 16.055 -1.755 9.128 483 2HB TRP 69 2HB TRP 69 15.731 -2.159 10.812 484 HD1 TRP 69 HD1 TRP 69 15.985 1.179 8.820 485 HE1 TRP 69 HE1 TRP 69 14.016 2.672 9.542 486 HE3 TRP 69 HE3 TRP 69 13.805 -1.946 12.227 487 HZ2 TRP 69 HZ2 TRP 69 11.829 2.541 11.321 488 HZ3 TRP 69 HZ3 TRP 69 11.778 -1.187 13.397 489 HH2 TRP 69 HH2 TRP 69 10.812 1.011 12.952 490 H THR 70 H THR 70 17.875 -2.887 12.197 491 HA THR 70 HA THR 70 19.524 -4.517 10.394 492 HB THR 70 HB THR 70 21.022 -3.248 11.927 493 HG1 THR 70 HG1 THR 70 20.868 -6.077 12.226 494 1HG2 THR 70 1HG2 THR 70 19.577 -3.082 13.871 495 2HG2 THR 70 2HG2 THR 70 21.072 -3.910 14.309 496 3HG2 THR 70 3HG2 THR 70 19.591 -4.835 14.062 497 H LEU 71 H LEU 71 19.465 -6.753 10.779 498 HA LEU 71 HA LEU 71 17.154 -7.614 12.367 499 1HB LEU 71 1HB LEU 71 18.477 -8.584 9.907 500 2HB LEU 71 2HB LEU 71 17.811 -9.812 10.981 501 HG LEU 71 HG LEU 71 16.266 -9.194 9.172 502 1HD1 LEU 71 1HD1 LEU 71 14.302 -8.707 10.625 503 2HD1 LEU 71 2HD1 LEU 71 15.418 -8.466 11.969 504 3HD1 LEU 71 3HD1 LEU 71 15.305 -10.044 11.189 505 1HD2 LEU 71 1HD2 LEU 71 16.742 -6.943 8.717 506 2HD2 LEU 71 2HD2 LEU 71 16.538 -6.468 10.403 507 3HD2 LEU 71 3HD2 LEU 71 15.133 -6.926 9.439 508 H GLU 72 H GLU 72 17.354 -8.936 14.080 509 HA GLU 72 HA GLU 72 19.746 -10.512 14.488 510 1HB GLU 72 1HB GLU 72 19.179 -8.023 16.007 511 2HB GLU 72 2HB GLU 72 19.749 -9.406 16.930 512 1HG GLU 72 1HG GLU 72 21.574 -9.491 15.036 513 2HG GLU 72 2HG GLU 72 21.150 -7.787 14.873 514 HA PRO 73 HA PRO 73 17.015 -13.202 16.619 515 1HB PRO 73 1HB PRO 73 18.601 -14.230 18.568 516 2HB PRO 73 2HB PRO 73 18.780 -14.652 16.860 517 1HG PRO 73 1HG PRO 73 20.337 -12.690 18.500 518 2HG PRO 73 2HG PRO 73 20.923 -13.869 17.312 519 1HD PRO 73 1HD PRO 73 20.613 -11.243 16.729 520 2HD PRO 73 2HD PRO 73 20.377 -12.523 15.522 521 H ALA 74 H ALA 74 15.389 -12.754 17.955 522 HA ALA 74 HA ALA 74 15.602 -10.710 19.951 523 1HB ALA 74 1HB ALA 74 13.246 -12.524 19.840 524 2HB ALA 74 2HB ALA 74 13.319 -10.777 20.072 525 3HB ALA 74 3HB ALA 74 13.560 -11.464 18.466 526 HA PRO 75 HA PRO 75 16.773 -13.212 23.387 527 1HB PRO 75 1HB PRO 75 15.940 -11.571 25.383 528 2HB PRO 75 2HB PRO 75 17.380 -11.246 24.411 529 1HG PRO 75 1HG PRO 75 14.623 -10.108 24.151 530 2HG PRO 75 2HG PRO 75 16.189 -9.284 24.039 531 1HD PRO 75 1HD PRO 75 14.755 -9.991 21.854 532 2HD PRO 75 2HD PRO 75 16.530 -9.958 21.862 533 H ALA 76 H ALA 76 15.843 -14.211 25.348 534 HA ALA 76 HA ALA 76 13.516 -15.604 24.873 535 1HB ALA 76 1HB ALA 76 15.344 -15.284 27.073 536 2HB ALA 76 2HB ALA 76 13.686 -15.437 27.655 537 3HB ALA 76 3HB ALA 76 14.373 -16.683 26.614 538 HA PRO 77 HA PRO 77 10.083 -13.038 25.814 539 1HB PRO 77 1HB PRO 77 8.418 -14.742 27.115 540 2HB PRO 77 2HB PRO 77 8.733 -14.846 25.379 541 1HG PRO 77 1HG PRO 77 9.921 -16.438 27.619 542 2HG PRO 77 2HG PRO 77 9.352 -16.990 26.032 543 1HD PRO 77 1HD PRO 77 11.973 -16.593 26.583 544 2HD PRO 77 2HD PRO 77 11.286 -16.326 24.968 545 H LYS 78 H LYS 78 8.720 -12.163 27.571 546 HA LYS 78 HA LYS 78 10.098 -12.268 30.175 547 1HB LYS 78 1HB LYS 78 8.594 -9.852 29.213 548 2HB LYS 78 2HB LYS 78 9.817 -9.958 30.472 549 1HG LYS 78 1HG LYS 78 11.092 -9.024 28.862 550 2HG LYS 78 2HG LYS 78 11.305 -10.713 28.394 551 1HD LYS 78 1HD LYS 78 10.787 -9.504 26.413 552 2HD LYS 78 2HD LYS 78 9.342 -10.421 26.847 553 1HE LYS 78 1HE LYS 78 8.818 -8.118 26.160 554 2HE LYS 78 2HE LYS 78 8.344 -8.444 27.826 555 1HZ LYS 78 1HZ LYS 78 9.501 -6.267 27.406 556 2HZ LYS 78 2HZ LYS 78 10.916 -7.152 27.127 557 3HZ LYS 78 3HZ LYS 78 10.161 -7.219 28.640 558 H GLU 79 H GLU 79 7.262 -12.889 28.525 559 HA GLU 79 HA GLU 79 5.486 -12.339 30.761 560 1HB GLU 79 1HB GLU 79 4.833 -11.973 28.344 561 2HB GLU 79 2HB GLU 79 4.808 -13.722 28.166 562 1HG GLU 79 1HG GLU 79 2.577 -12.828 28.531 563 2HG GLU 79 2HG GLU 79 3.068 -13.891 29.848 564 H ASP 80 H ASP 80 4.173 -13.979 31.736 565 HA ASP 80 HA ASP 80 5.638 -16.301 32.446 566 1HB ASP 80 1HB ASP 80 2.686 -15.899 32.915 567 2HB ASP 80 2HB ASP 80 3.824 -16.830 33.885 568 H ALA 81 H ALA 81 5.955 -17.952 31.109 569 HA ALA 81 HA ALA 81 3.638 -19.023 29.648 570 1HB ALA 81 1HB ALA 81 5.414 -19.644 27.849 571 2HB ALA 81 2HB ALA 81 4.728 -18.019 27.881 572 3HB ALA 81 3HB ALA 81 6.328 -18.314 28.561 573 H LEU 82 H LEU 82 6.870 -19.619 30.954 574 HA LEU 82 HA LEU 82 6.059 -22.262 31.797 575 1HB LEU 82 1HB LEU 82 7.897 -21.792 29.533 576 2HB LEU 82 2HB LEU 82 8.398 -23.008 30.706 577 HG LEU 82 HG LEU 82 5.840 -23.778 30.221 578 1HD1 LEU 82 1HD1 LEU 82 6.442 -21.942 28.161 579 2HD1 LEU 82 2HD1 LEU 82 5.031 -22.988 28.317 580 3HD1 LEU 82 3HD1 LEU 82 6.458 -23.556 27.450 581 1HD2 LEU 82 1HD2 LEU 82 7.634 -25.320 30.240 582 2HD2 LEU 82 2HD2 LEU 82 8.409 -24.548 28.856 583 3HD2 LEU 82 3HD2 LEU 82 6.900 -25.436 28.640 584 H THR 83 H THR 83 8.141 -23.382 32.796 585 HA THR 83 HA THR 83 8.875 -21.956 35.040 586 HB THR 83 HB THR 83 9.147 -24.369 34.926 587 HG1 THR 83 HG1 THR 83 10.525 -23.092 36.347 588 1HG2 THR 83 1HG2 THR 83 11.155 -23.688 32.804 589 2HG2 THR 83 2HG2 THR 83 9.848 -24.871 32.760 590 3HG2 THR 83 3HG2 THR 83 11.289 -25.185 33.725 591 H VAL 84 H VAL 84 10.690 -20.798 35.675 592 HA VAL 84 HA VAL 84 12.691 -20.132 33.652 593 HB VAL 84 HB VAL 84 11.237 -17.970 35.176 594 1HG1 VAL 84 1HG1 VAL 84 13.330 -17.120 34.688 595 2HG1 VAL 84 2HG1 VAL 84 13.454 -18.013 33.171 596 3HG1 VAL 84 3HG1 VAL 84 12.390 -16.610 33.286 597 1HG2 VAL 84 1HG2 VAL 84 9.606 -18.655 33.682 598 2HG2 VAL 84 2HG2 VAL 84 10.447 -17.403 32.767 599 3HG2 VAL 84 3HG2 VAL 84 10.780 -19.105 32.446 600 H VAL 85 H VAL 85 14.648 -19.344 34.496 601 HA VAL 85 HA VAL 85 14.924 -19.153 37.393 602 HB VAL 85 HB VAL 85 16.623 -21.064 35.784 603 1HG1 VAL 85 1HG1 VAL 85 17.030 -21.684 38.383 604 2HG1 VAL 85 2HG1 VAL 85 18.058 -20.591 37.455 605 3HG1 VAL 85 3HG1 VAL 85 16.792 -19.941 38.498 606 1HG2 VAL 85 1HG2 VAL 85 14.498 -22.082 35.995 607 2HG2 VAL 85 2HG2 VAL 85 15.507 -22.792 37.257 608 3HG2 VAL 85 3HG2 VAL 85 14.326 -21.547 37.667 609 H GLY 86 H GLY 86 15.805 -17.189 37.568 610 1HA GLY 86 1HA GLY 86 18.443 -16.665 36.752 611 2HA GLY 86 2HA GLY 86 17.348 -15.902 35.609 612 H ASP 87 H ASP 87 15.304 -15.105 37.306 613 HA ASP 87 HA ASP 87 16.342 -12.689 38.324 614 1HB ASP 87 1HB ASP 87 13.682 -14.061 38.462 615 2HB ASP 87 2HB ASP 87 13.979 -12.645 39.468 616 H TRP 88 H TRP 88 16.687 -11.975 40.414 617 HA TRP 88 HA TRP 88 16.891 -14.100 42.445 618 1HB TRP 88 1HB TRP 88 19.033 -12.977 41.582 619 2HB TRP 88 2HB TRP 88 18.495 -11.549 42.462 620 HD1 TRP 88 HD1 TRP 88 19.011 -11.461 44.998 621 HE1 TRP 88 HE1 TRP 88 20.090 -13.081 46.682 622 HE3 TRP 88 HE3 TRP 88 19.223 -15.648 42.073 623 HZ2 TRP 88 HZ2 TRP 88 20.922 -15.778 46.759 624 HZ3 TRP 88 HZ3 TRP 88 20.176 -17.706 43.027 625 HH2 TRP 88 HH2 TRP 88 21.007 -17.768 45.322 626 H LEU 89 H LEU 89 14.495 -12.650 41.993 627 HA LEU 89 HA LEU 89 12.856 -11.582 43.151 628 1HB LEU 89 1HB LEU 89 13.772 -13.118 44.948 629 2HB LEU 89 2HB LEU 89 14.668 -11.724 45.547 630 HG LEU 89 HG LEU 89 12.188 -10.689 45.518 631 1HD1 LEU 89 1HD1 LEU 89 11.401 -13.015 44.738 632 2HD1 LEU 89 2HD1 LEU 89 10.518 -12.215 46.037 633 3HD1 LEU 89 3HD1 LEU 89 11.667 -13.498 46.413 634 1HD2 LEU 89 1HD2 LEU 89 13.947 -10.980 47.379 635 2HD2 LEU 89 2HD2 LEU 89 13.029 -12.422 47.814 636 3HD2 LEU 89 3HD2 LEU 89 12.250 -10.839 47.838 637 H GLY 90 H GLY 90 15.366 -10.163 42.076 638 1HA GLY 90 1HA GLY 90 15.229 -7.701 43.671 639 2HA GLY 90 2HA GLY 90 16.453 -8.079 42.469 640 H ASP 91 H ASP 91 12.894 -7.828 42.537 641 HA ASP 91 HA ASP 91 13.082 -5.998 40.241 642 1HB ASP 91 1HB ASP 91 11.340 -8.426 40.566 643 2HB ASP 91 2HB ASP 91 10.843 -7.095 39.525 644 H ALA 92 H ALA 92 12.897 -5.152 42.875 645 HA ALA 92 HA ALA 92 10.262 -3.877 42.834 646 1HB ALA 92 1HB ALA 92 10.118 -4.172 45.328 647 2HB ALA 92 2HB ALA 92 9.893 -5.641 44.378 648 3HB ALA 92 3HB ALA 92 11.430 -5.343 45.189 649 H ARG 93 H ARG 93 11.308 -1.986 42.148 650 HA ARG 93 HA ARG 93 13.357 -0.836 43.872 651 1HB ARG 93 1HB ARG 93 12.190 0.003 41.220 652 2HB ARG 93 2HB ARG 93 13.319 1.006 42.122 653 1HG ARG 93 1HG ARG 93 14.652 -0.119 40.583 654 2HG ARG 93 2HG ARG 93 14.871 -1.025 42.082 655 1HD ARG 93 1HD ARG 93 13.549 -2.796 41.347 656 2HD ARG 93 2HD ARG 93 12.771 -1.821 40.101 657 HE ARG 93 HE ARG 93 14.444 -2.423 38.679 658 1HH1 ARG 93 2HH1 ARG 93 15.571 -2.839 41.947 659 2HH1 ARG 93 1HH1 ARG 93 17.082 -3.542 41.475 660 1HH2 ARG 93 2HH2 ARG 93 16.431 -3.348 38.045 661 2HH2 ARG 93 1HH2 ARG 93 17.571 -3.830 39.255 662 H GLU 94 H GLU 94 10.280 -1.108 44.346 663 HA GLU 94 HA GLU 94 8.646 0.067 45.409 664 1HB GLU 94 1HB GLU 94 10.608 0.401 46.976 665 2HB GLU 94 2HB GLU 94 10.839 1.972 46.222 666 1HG GLU 94 1HG GLU 94 8.660 2.693 46.950 667 2HG GLU 94 2HG GLU 94 8.314 1.091 47.600 668 H ASN 95 H ASN 95 7.896 0.616 43.209 669 HA ASN 95 HA ASN 95 7.137 2.065 41.622 670 1HB ASN 95 1HB ASN 95 7.267 4.285 43.629 671 2HB ASN 95 2HB ASN 95 6.012 3.921 42.449 672 1HD2 ASN 95 2HD2 ASN 95 6.973 3.658 45.653 673 2HD2 ASN 95 1HD2 ASN 95 5.749 2.567 46.197 674 H ASP 96 H ASP 96 9.374 1.815 40.700 675 HA ASP 96 HA ASP 96 10.617 4.471 40.475 676 1HB ASP 96 1HB ASP 96 11.829 2.344 41.730 677 2HB ASP 96 2HB ASP 96 12.464 2.227 40.091 678 H LEU 97 H LEU 97 11.337 5.056 38.447 679 HA LEU 97 HA LEU 97 11.082 3.126 36.268 680 1HB LEU 97 1HB LEU 97 9.554 5.695 36.520 681 2HB LEU 97 2HB LEU 97 9.894 4.975 34.947 682 HG LEU 97 HG LEU 97 8.352 3.622 37.160 683 1HD1 LEU 97 1HD1 LEU 97 7.160 5.574 36.285 684 2HD1 LEU 97 2HD1 LEU 97 6.373 4.066 35.821 685 3HD1 LEU 97 3HD1 LEU 97 7.347 4.950 34.646 686 1HD2 LEU 97 1HD2 LEU 97 9.565 2.655 34.764 687 2HD2 LEU 97 2HD2 LEU 97 7.812 2.555 34.604 688 3HD2 LEU 97 3HD2 LEU 97 8.620 1.774 35.964 689 H GLU 98 H GLU 98 12.914 3.196 35.164 690 HA GLU 98 HA GLU 98 14.148 5.802 34.622 691 1HB GLU 98 1HB GLU 98 15.319 4.689 36.531 692 2HB GLU 98 2HB GLU 98 15.709 3.354 35.457 693 1HG GLU 98 1HG GLU 98 17.631 4.537 35.278 694 2HG GLU 98 2HG GLU 98 16.712 5.301 33.982 695 H HIS 99 H HIS 99 13.281 5.641 32.520 696 HA HIS 99 HA HIS 99 14.530 3.571 30.834 697 1HB HIS 99 1HB HIS 99 12.620 4.067 29.240 698 2HB HIS 99 2HB HIS 99 12.176 3.256 30.739 699 HD1 HIS 99 HD1 HIS 99 9.952 4.118 31.381 700 HD2 HIS 99 HD2 HIS 99 12.441 7.146 30.005 701 HE1 HIS 99 HE1 HIS 99 8.642 6.246 31.665 702 H HIS 100 H HIS 100 16.082 5.706 31.408 703 HA HIS 100 HA HIS 100 17.300 7.409 30.510 704 1HB HIS 100 1HB HIS 100 16.296 6.419 27.840 705 2HB HIS 100 2HB HIS 100 17.810 7.254 28.179 706 HD1 HIS 100 HD1 HIS 100 16.354 3.926 27.881 707 HD2 HIS 100 HD2 HIS 100 19.691 5.613 29.691 708 HE1 HIS 100 HE1 HIS 100 17.896 2.002 28.376 709 H HIS 101 H HIS 101 14.649 8.058 31.303 710 HA HIS 101 HA HIS 101 13.190 9.543 29.448 711 1HB HIS 101 1HB HIS 101 12.194 10.677 31.391 712 2HB HIS 101 2HB HIS 101 12.300 8.937 31.644 713 HD1 HIS 101 HD1 HIS 101 13.150 12.108 33.182 714 HD2 HIS 101 HD2 HIS 101 14.572 8.209 33.368 715 HE1 HIS 101 HE1 HIS 101 14.519 11.991 35.289 716 H HIS 102 H HIS 102 13.235 11.645 28.765 717 HA HIS 102 HA HIS 102 15.549 13.258 29.619 718 1HB HIS 102 1HB HIS 102 15.756 12.296 27.304 719 2HB HIS 102 2HB HIS 102 14.345 13.245 26.847 720 HD1 HIS 102 HD1 HIS 102 17.200 14.488 28.991 721 HD2 HIS 102 HD2 HIS 102 15.579 15.061 25.209 722 HE1 HIS 102 HE1 HIS 102 18.430 16.456 28.023 723 H HIS 103 H HIS 103 15.104 15.237 30.349 724 HA HIS 103 HA HIS 103 12.904 16.794 29.390 725 1HB HIS 103 1HB HIS 103 11.979 15.075 31.138 726 2HB HIS 103 2HB HIS 103 12.711 16.163 32.314 727 HD1 HIS 103 HD1 HIS 103 11.149 17.870 33.159 728 HD2 HIS 103 HD2 HIS 103 10.181 16.683 29.297 729 HE1 HIS 103 HE1 HIS 103 9.065 19.146 32.567 730 H HIS 104 H HIS 104 12.971 18.956 30.107 731 HA HIS 104 HA HIS 104 15.588 19.780 31.028 732 1HB HIS 104 1HB HIS 104 13.203 21.171 29.872 733 2HB HIS 104 2HB HIS 104 14.409 22.116 30.742 734 HD1 HIS 104 HD1 HIS 104 15.949 23.171 29.137 735 HD2 HIS 104 HD2 HIS 104 14.811 19.372 27.897 736 HE1 HIS 104 HE1 HIS 104 17.179 22.771 26.980 Start of MODEL 17 1 1H ALA 1 H ALA 1 1.741 -0.362 0.430 2 HA ALA 1 HA ALA 1 1.743 0.640 -2.343 3 1HB ALA 1 1HB ALA 1 3.504 1.610 -0.847 4 2HB ALA 1 2HB ALA 1 4.193 -0.008 -0.717 5 3HB ALA 1 3HB ALA 1 4.118 0.795 -2.285 6 H GLN 2 H GLN 2 1.029 -1.042 -3.523 7 HA GLN 2 HA GLN 2 1.356 -3.752 -2.923 8 1HB GLN 2 1HB GLN 2 -0.335 -3.035 -4.484 9 2HB GLN 2 2HB GLN 2 0.881 -2.376 -5.570 10 1HG GLN 2 1HG GLN 2 0.126 -4.431 -6.485 11 2HG GLN 2 2HG GLN 2 1.760 -4.685 -5.874 12 1HE2 GLN 2 2HE2 GLN 2 1.793 -6.757 -5.309 13 2HE2 GLN 2 1HE2 GLN 2 0.681 -7.516 -4.227 14 H VAL 3 H VAL 3 3.102 -4.990 -2.935 15 HA VAL 3 HA VAL 3 5.214 -4.468 -4.906 16 HB VAL 3 HB VAL 3 5.686 -4.943 -1.960 17 1HG1 VAL 3 1HG1 VAL 3 8.104 -4.309 -3.101 18 2HG1 VAL 3 2HG1 VAL 3 7.575 -5.928 -2.638 19 3HG1 VAL 3 3HG1 VAL 3 7.370 -5.373 -4.300 20 1HG2 VAL 3 1HG2 VAL 3 5.259 -2.569 -3.386 21 2HG2 VAL 3 2HG2 VAL 3 5.859 -2.738 -1.736 22 3HG2 VAL 3 3HG2 VAL 3 6.995 -2.645 -3.083 23 H ASN 4 H ASN 4 5.664 -6.245 -6.016 24 HA ASN 4 HA ASN 4 5.163 -8.858 -4.749 25 1HB ASN 4 1HB ASN 4 4.963 -9.570 -7.276 26 2HB ASN 4 2HB ASN 4 3.590 -8.847 -6.442 27 1HD2 ASN 4 2HD2 ASN 4 5.735 -8.616 -9.044 28 2HD2 ASN 4 1HD2 ASN 4 5.223 -7.080 -9.647 29 H ILE 5 H ILE 5 7.029 -9.789 -4.242 30 HA ILE 5 HA ILE 5 9.254 -9.597 -6.165 31 HB ILE 5 HB ILE 5 9.468 -9.796 -3.159 32 1HG1 ILE 5 1HG1 ILE 5 10.440 -7.516 -4.859 33 2HG1 ILE 5 2HG1 ILE 5 8.777 -7.563 -4.286 34 1HG2 ILE 5 1HG2 ILE 5 11.275 -10.993 -4.167 35 2HG2 ILE 5 2HG2 ILE 5 11.569 -9.687 -5.314 36 3HG2 ILE 5 3HG2 ILE 5 11.900 -9.445 -3.599 37 1HD1 ILE 5 1HD1 ILE 5 11.153 -7.749 -2.460 38 2HD1 ILE 5 2HD1 ILE 5 10.364 -6.231 -2.887 39 3HD1 ILE 5 3HD1 ILE 5 9.467 -7.479 -2.023 40 H ALA 6 H ALA 6 10.258 -11.452 -6.752 41 HA ALA 6 HA ALA 6 9.004 -13.944 -5.939 42 1HB ALA 6 1HB ALA 6 9.757 -14.837 -7.888 43 2HB ALA 6 2HB ALA 6 9.777 -13.134 -8.349 44 3HB ALA 6 3HB ALA 6 11.270 -13.931 -7.850 45 HA PRO 7 HA PRO 7 12.151 -14.899 -2.978 46 1HB PRO 7 1HB PRO 7 11.517 -17.517 -2.636 47 2HB PRO 7 2HB PRO 7 10.560 -16.199 -1.950 48 1HG PRO 7 1HG PRO 7 10.075 -17.800 -4.433 49 2HG PRO 7 2HG PRO 7 8.920 -17.291 -3.187 50 1HD PRO 7 1HD PRO 7 9.165 -16.006 -5.558 51 2HD PRO 7 2HD PRO 7 8.725 -15.165 -4.057 52 H GLY 8 H GLY 8 13.393 -17.324 -2.720 53 1HA GLY 8 1HA GLY 8 14.675 -18.938 -3.950 54 2HA GLY 8 2HA GLY 8 14.624 -17.861 -5.338 55 H SER 9 H SER 9 15.189 -16.062 -2.595 56 HA SER 9 HA SER 9 17.891 -16.477 -2.040 57 1HB SER 9 1HB SER 9 17.338 -14.874 -4.473 58 2HB SER 9 2HB SER 9 18.543 -14.219 -3.365 59 HG SER 9 HG SER 9 18.721 -16.333 -5.061 60 H LEU 10 H LEU 10 17.782 -15.746 -0.022 61 HA LEU 10 HA LEU 10 16.046 -13.783 0.934 62 1HB LEU 10 1HB LEU 10 17.323 -15.537 2.243 63 2HB LEU 10 2HB LEU 10 18.709 -14.452 2.160 64 HG LEU 10 HG LEU 10 16.093 -13.580 3.351 65 1HD1 LEU 10 1HD1 LEU 10 18.176 -15.348 4.498 66 2HD1 LEU 10 2HD1 LEU 10 16.445 -15.273 4.823 67 3HD1 LEU 10 3HD1 LEU 10 17.527 -14.075 5.532 68 1HD2 LEU 10 1HD2 LEU 10 18.662 -12.391 2.886 69 2HD2 LEU 10 2HD2 LEU 10 18.325 -12.444 4.616 70 3HD2 LEU 10 3HD2 LEU 10 17.188 -11.657 3.519 71 H ASP 11 H ASP 11 19.476 -13.543 0.044 72 HA ASP 11 HA ASP 11 19.895 -10.878 0.720 73 1HB ASP 11 1HB ASP 11 21.834 -12.046 0.170 74 2HB ASP 11 2HB ASP 11 21.134 -12.712 -1.303 75 H LYS 12 H LYS 12 18.788 -12.256 -2.363 76 HA LYS 12 HA LYS 12 18.535 -9.781 -3.706 77 1HB LYS 12 1HB LYS 12 18.421 -11.322 -5.336 78 2HB LYS 12 2HB LYS 12 17.896 -12.577 -4.222 79 1HG LYS 12 1HG LYS 12 15.617 -11.922 -4.436 80 2HG LYS 12 2HG LYS 12 16.061 -10.471 -5.337 81 1HD LYS 12 1HD LYS 12 16.092 -11.590 -7.264 82 2HD LYS 12 2HD LYS 12 17.136 -12.843 -6.587 83 1HE LYS 12 1HE LYS 12 15.424 -14.250 -6.269 84 2HE LYS 12 2HE LYS 12 14.384 -12.980 -5.625 85 1HZ LYS 12 1HZ LYS 12 14.538 -14.049 -8.294 86 2HZ LYS 12 2HZ LYS 12 14.520 -12.358 -8.245 87 3HZ LYS 12 3HZ LYS 12 13.268 -13.238 -7.525 88 H ALA 13 H ALA 13 16.142 -11.841 -2.069 89 HA ALA 13 HA ALA 13 13.871 -10.324 -2.544 90 1HB ALA 13 1HB ALA 13 13.082 -11.312 -0.314 91 2HB ALA 13 2HB ALA 13 13.520 -12.432 -1.604 92 3HB ALA 13 3HB ALA 13 14.644 -12.131 -0.279 93 H LEU 14 H LEU 14 16.500 -9.762 -0.336 94 HA LEU 14 HA LEU 14 15.162 -7.868 1.320 95 1HB LEU 14 1HB LEU 14 16.989 -8.666 2.405 96 2HB LEU 14 2HB LEU 14 17.940 -8.806 0.928 97 HG LEU 14 HG LEU 14 18.320 -6.372 0.968 98 1HD1 LEU 14 1HD1 LEU 14 16.465 -5.478 2.075 99 2HD1 LEU 14 2HD1 LEU 14 17.802 -5.247 3.201 100 3HD1 LEU 14 3HD1 LEU 14 16.652 -6.560 3.455 101 1HD2 LEU 14 1HD2 LEU 14 19.136 -7.250 3.677 102 2HD2 LEU 14 2HD2 LEU 14 20.092 -6.537 2.377 103 3HD2 LEU 14 3HD2 LEU 14 19.652 -8.244 2.315 104 H ASN 15 H ASN 15 17.615 -7.474 -1.241 105 HA ASN 15 HA ASN 15 17.534 -4.679 -1.330 106 1HB ASN 15 1HB ASN 15 19.073 -4.902 -2.966 107 2HB ASN 15 2HB ASN 15 19.010 -6.619 -2.579 108 1HD2 ASN 15 2HD2 ASN 15 17.834 -8.011 -3.913 109 2HD2 ASN 15 1HD2 ASN 15 17.392 -7.566 -5.523 110 H GLN 16 H GLN 16 15.496 -7.099 -2.814 111 HA GLN 16 HA GLN 16 14.251 -5.533 -4.768 112 1HB GLN 16 1HB GLN 16 13.169 -7.853 -3.163 113 2HB GLN 16 2HB GLN 16 12.371 -7.167 -4.572 114 1HG GLN 16 1HG GLN 16 15.171 -7.935 -4.989 115 2HG GLN 16 2HG GLN 16 14.073 -9.267 -4.632 116 1HE2 GLN 16 2HE2 GLN 16 14.714 -9.871 -6.849 117 2HE2 GLN 16 1HE2 GLN 16 13.804 -9.220 -8.165 118 H TYR 17 H TYR 17 13.105 -6.289 -1.476 119 HA TYR 17 HA TYR 17 10.970 -4.394 -1.618 120 1HB TYR 17 1HB TYR 17 10.310 -5.211 0.420 121 2HB TYR 17 2HB TYR 17 11.309 -6.558 -0.114 122 HD1 TYR 17 HD1 TYR 17 13.344 -7.110 1.012 123 HD2 TYR 17 HD2 TYR 17 11.175 -3.616 2.104 124 HE1 TYR 17 HE1 TYR 17 14.727 -6.891 3.035 125 HE2 TYR 17 HE2 TYR 17 12.552 -3.387 4.129 126 HH TYR 17 HH TYR 17 15.345 -5.421 4.692 127 H ALA 18 H ALA 18 14.242 -4.386 -0.349 128 HA ALA 18 HA ALA 18 14.114 -2.056 1.201 129 1HB ALA 18 1HB ALA 18 16.482 -2.054 1.170 130 2HB ALA 18 2HB ALA 18 15.982 -3.745 1.140 131 3HB ALA 18 3HB ALA 18 16.533 -2.962 -0.341 132 H ALA 19 H ALA 19 14.495 -2.531 -2.249 133 HA ALA 19 HA ALA 19 15.230 0.183 -2.809 134 1HB ALA 19 1HB ALA 19 15.931 -1.580 -4.306 135 2HB ALA 19 2HB ALA 19 14.251 -2.011 -4.631 136 3HB ALA 19 3HB ALA 19 14.880 -0.453 -5.166 137 H HIS 20 H HIS 20 12.248 -1.616 -2.578 138 HA HIS 20 HA HIS 20 10.634 0.386 -3.854 139 1HB HIS 20 1HB HIS 20 9.058 -1.209 -3.834 140 2HB HIS 20 2HB HIS 20 10.280 -2.280 -3.155 141 HD1 HIS 20 HD1 HIS 20 7.493 0.025 -2.039 142 HD2 HIS 20 HD2 HIS 20 9.762 -3.151 -0.616 143 HE1 HIS 20 HE1 HIS 20 6.447 -0.618 0.156 144 H SER 21 H SER 21 11.763 -0.249 -0.640 145 HA SER 21 HA SER 21 9.826 1.464 0.642 146 1HB SER 21 1HB SER 21 12.315 0.068 1.636 147 2HB SER 21 2HB SER 21 11.323 1.106 2.660 148 HG SER 21 HG SER 21 10.640 -1.345 1.438 149 H GLY 22 H GLY 22 13.379 1.594 0.279 150 1HA GLY 22 1HA GLY 22 14.449 3.586 -0.578 151 2HA GLY 22 2HA GLY 22 13.146 4.529 0.129 152 H PHE 23 H PHE 23 14.597 1.920 1.907 153 HA PHE 23 HA PHE 23 16.056 3.877 3.554 154 1HB PHE 23 1HB PHE 23 15.295 2.910 5.546 155 2HB PHE 23 2HB PHE 23 13.859 2.929 4.528 156 HD1 PHE 23 HD1 PHE 23 15.756 0.989 6.702 157 HD2 PHE 23 HD2 PHE 23 13.572 0.728 3.057 158 HE1 PHE 23 HE1 PHE 23 15.495 -1.435 7.035 159 HE2 PHE 23 HE2 PHE 23 13.308 -1.696 3.385 160 HZ PHE 23 HZ PHE 23 14.269 -2.781 5.376 161 H THR 24 H THR 24 17.659 2.716 5.048 162 HA THR 24 HA THR 24 19.114 0.742 3.425 163 HB THR 24 HB THR 24 20.242 2.409 5.676 164 HG1 THR 24 HG1 THR 24 19.408 3.599 3.750 165 1HG2 THR 24 1HG2 THR 24 21.785 0.742 5.362 166 2HG2 THR 24 2HG2 THR 24 22.335 1.890 4.142 167 3HG2 THR 24 3HG2 THR 24 21.348 0.506 3.671 168 H LEU 25 H LEU 25 20.012 -1.102 4.381 169 HA LEU 25 HA LEU 25 19.213 -1.703 7.135 170 1HB LEU 25 1HB LEU 25 17.495 -2.634 5.658 171 2HB LEU 25 2HB LEU 25 18.738 -3.522 4.777 172 HG LEU 25 HG LEU 25 19.099 -4.376 7.366 173 1HD1 LEU 25 1HD1 LEU 25 17.115 -3.336 8.194 174 2HD1 LEU 25 2HD1 LEU 25 16.810 -5.068 8.073 175 3HD1 LEU 25 3HD1 LEU 25 16.158 -3.971 6.856 176 1HD2 LEU 25 1HD2 LEU 25 19.092 -5.696 5.266 177 2HD2 LEU 25 2HD2 LEU 25 17.329 -5.651 5.284 178 3HD2 LEU 25 3HD2 LEU 25 18.204 -6.465 6.582 179 H SER 26 H SER 26 20.707 -2.804 8.276 180 HA SER 26 HA SER 26 23.057 -3.805 6.804 181 1HB SER 26 1HB SER 26 22.937 -1.817 8.794 182 2HB SER 26 2HB SER 26 23.632 -3.237 9.575 183 HG SER 26 HG SER 26 25.389 -2.493 8.657 184 H VAL 27 H VAL 27 22.761 -5.955 6.706 185 HA VAL 27 HA VAL 27 22.409 -7.381 9.255 186 HB VAL 27 HB VAL 27 20.275 -7.573 8.219 187 1HG1 VAL 27 1HG1 VAL 27 21.866 -7.964 5.733 188 2HG1 VAL 27 2HG1 VAL 27 20.272 -8.712 5.848 189 3HG1 VAL 27 3HG1 VAL 27 20.441 -6.964 6.016 190 1HG2 VAL 27 1HG2 VAL 27 21.775 -10.098 7.538 191 2HG2 VAL 27 2HG2 VAL 27 21.277 -9.646 9.169 192 3HG2 VAL 27 3HG2 VAL 27 20.062 -9.946 7.926 193 H ASP 28 H ASP 28 23.684 -9.143 9.548 194 HA ASP 28 HA ASP 28 26.011 -9.436 8.006 195 1HB ASP 28 1HB ASP 28 24.786 -11.419 9.936 196 2HB ASP 28 2HB ASP 28 26.456 -11.420 9.374 197 H ALA 29 H ALA 29 25.617 -9.833 5.861 198 HA ALA 29 HA ALA 29 23.824 -11.878 4.971 199 1HB ALA 29 1HB ALA 29 25.822 -11.068 3.025 200 2HB ALA 29 2HB ALA 29 24.066 -10.912 2.977 201 3HB ALA 29 3HB ALA 29 25.037 -9.692 3.801 202 H SER 30 H SER 30 27.000 -11.887 6.152 203 HA SER 30 HA SER 30 28.278 -13.854 4.678 204 1HB SER 30 1HB SER 30 28.584 -13.854 7.653 205 2HB SER 30 2HB SER 30 29.819 -13.965 6.399 206 HG SER 30 HG SER 30 29.940 -11.934 7.300 207 H LEU 31 H LEU 31 26.181 -14.255 7.524 208 HA LEU 31 HA LEU 31 26.226 -17.136 7.255 209 1HB LEU 31 1HB LEU 31 24.366 -15.644 9.058 210 2HB LEU 31 2HB LEU 31 25.108 -17.226 9.286 211 HG LEU 31 HG LEU 31 27.303 -15.650 9.320 212 1HD1 LEU 31 1HD1 LEU 31 25.432 -13.736 9.254 213 2HD1 LEU 31 2HD1 LEU 31 26.969 -13.556 10.100 214 3HD1 LEU 31 3HD1 LEU 31 25.517 -14.000 10.996 215 1HD2 LEU 31 1HD2 LEU 31 27.471 -16.269 11.508 216 2HD2 LEU 31 2HD2 LEU 31 26.186 -17.364 10.998 217 3HD2 LEU 31 3HD2 LEU 31 25.789 -15.880 11.866 218 H THR 32 H THR 32 23.950 -14.486 6.741 219 HA THR 32 HA THR 32 21.645 -15.947 6.214 220 HB THR 32 HB THR 32 22.489 -13.366 4.882 221 HG1 THR 32 HG1 THR 32 22.188 -12.546 6.800 222 1HG2 THR 32 1HG2 THR 32 20.487 -13.309 3.895 223 2HG2 THR 32 2HG2 THR 32 19.667 -13.695 5.408 224 3HG2 THR 32 3HG2 THR 32 20.276 -14.991 4.380 225 H ARG 33 H ARG 33 24.263 -14.997 4.021 226 HA ARG 33 HA ARG 33 23.218 -15.789 1.602 227 1HB ARG 33 1HB ARG 33 25.444 -15.930 0.789 228 2HB ARG 33 2HB ARG 33 25.452 -14.686 2.032 229 1HG ARG 33 1HG ARG 33 27.265 -15.770 2.770 230 2HG ARG 33 2HG ARG 33 26.090 -16.867 3.499 231 1HD ARG 33 1HD ARG 33 27.343 -18.403 2.391 232 2HD ARG 33 2HD ARG 33 26.234 -17.981 1.087 233 HE ARG 33 HE ARG 33 27.995 -17.085 -0.055 234 1HH1 ARG 33 2HH1 ARG 33 28.866 -17.370 3.303 235 2HH1 ARG 33 1HH1 ARG 33 30.514 -16.900 3.051 236 1HH2 ARG 33 2HH2 ARG 33 30.163 -16.465 -0.401 237 2HH2 ARG 33 1HH2 ARG 33 31.251 -16.385 0.943 238 H GLY 34 H GLY 34 22.792 -17.674 0.599 239 1HA GLY 34 1HA GLY 34 23.344 -20.010 0.203 240 2HA GLY 34 2HA GLY 34 23.681 -20.159 1.921 241 H LYS 35 H LYS 35 21.208 -18.459 2.424 242 HA LYS 35 HA LYS 35 19.298 -20.683 2.220 243 1HB LYS 35 1HB LYS 35 19.794 -18.560 4.231 244 2HB LYS 35 2HB LYS 35 18.116 -19.016 3.971 245 1HG LYS 35 1HG LYS 35 18.791 -20.389 5.711 246 2HG LYS 35 2HG LYS 35 18.934 -21.429 4.292 247 1HD LYS 35 1HD LYS 35 20.908 -21.771 5.543 248 2HD LYS 35 2HD LYS 35 21.369 -20.727 4.196 249 1HE LYS 35 1HE LYS 35 21.637 -18.881 5.544 250 2HE LYS 35 2HE LYS 35 20.526 -19.485 6.773 251 1HZ LYS 35 1HZ LYS 35 23.300 -19.653 6.757 252 2HZ LYS 35 2HZ LYS 35 22.725 -21.231 6.557 253 3HZ LYS 35 3HZ LYS 35 22.231 -20.313 7.890 254 H GLN 36 H GLN 36 16.919 -19.783 2.292 255 HA GLN 36 HA GLN 36 16.704 -17.664 0.257 256 1HB GLN 36 1HB GLN 36 14.896 -18.826 -0.784 257 2HB GLN 36 2HB GLN 36 16.212 -19.976 -0.589 258 1HG GLN 36 1HG GLN 36 14.827 -20.370 1.708 259 2HG GLN 36 2HG GLN 36 13.531 -19.954 0.589 260 1HE2 GLN 36 2HE2 GLN 36 16.181 -22.162 1.198 261 2HE2 GLN 36 1HE2 GLN 36 15.596 -23.443 0.198 262 H SER 37 H SER 37 14.223 -16.979 0.163 263 HA SER 37 HA SER 37 12.935 -16.884 2.739 264 1HB SER 37 1HB SER 37 14.440 -15.120 3.212 265 2HB SER 37 2HB SER 37 14.302 -14.457 1.583 266 HG SER 37 HG SER 37 12.214 -13.793 2.064 267 H ASN 38 H ASN 38 10.795 -16.196 2.631 268 HA ASN 38 HA ASN 38 9.556 -16.463 0.078 269 1HB ASN 38 1HB ASN 38 8.410 -17.282 2.040 270 2HB ASN 38 2HB ASN 38 8.439 -15.683 2.777 271 1HD2 ASN 38 2HD2 ASN 38 7.505 -17.009 -0.382 272 2HD2 ASN 38 1HD2 ASN 38 5.952 -16.252 -0.429 273 H GLY 39 H GLY 39 9.259 -14.938 -1.401 274 1HA GLY 39 1HA GLY 39 10.019 -12.260 -1.067 275 2HA GLY 39 2HA GLY 39 9.047 -12.880 -2.393 276 H LEU 40 H LEU 40 8.115 -10.653 -2.121 277 HA LEU 40 HA LEU 40 6.085 -10.604 0.009 278 1HB LEU 40 1HB LEU 40 7.688 -8.725 -0.031 279 2HB LEU 40 2HB LEU 40 7.136 -8.320 -1.655 280 HG LEU 40 HG LEU 40 4.933 -7.762 -0.789 281 1HD1 LEU 40 1HD1 LEU 40 5.903 -9.184 1.533 282 2HD1 LEU 40 2HD1 LEU 40 4.255 -8.750 1.082 283 3HD1 LEU 40 3HD1 LEU 40 5.260 -7.598 1.960 284 1HD2 LEU 40 1HD2 LEU 40 7.096 -6.225 -0.636 285 2HD2 LEU 40 2HD2 LEU 40 6.718 -6.313 1.085 286 3HD2 LEU 40 3HD2 LEU 40 5.519 -5.693 -0.052 287 H HIS 41 H HIS 41 3.962 -9.786 -0.539 288 HA HIS 41 HA HIS 41 3.185 -9.565 -3.295 289 1HB HIS 41 1HB HIS 41 3.308 -12.138 -2.375 290 2HB HIS 41 2HB HIS 41 1.635 -11.718 -2.022 291 HD1 HIS 41 HD1 HIS 41 0.337 -12.822 -3.826 292 HD2 HIS 41 HD2 HIS 41 3.669 -10.826 -5.300 293 HE1 HIS 41 HE1 HIS 41 0.166 -12.987 -6.329 294 H GLY 42 H GLY 42 2.124 -7.690 -2.928 295 1HA GLY 42 1HA GLY 42 -0.288 -7.101 -2.470 296 2HA GLY 42 2HA GLY 42 0.023 -7.712 -0.852 297 H ASP 43 H ASP 43 -0.827 -5.461 -0.414 298 HA ASP 43 HA ASP 43 1.170 -3.365 -0.780 299 1HB ASP 43 1HB ASP 43 -0.604 -1.913 0.285 300 2HB ASP 43 2HB ASP 43 -1.060 -2.654 -1.247 301 H TYR 44 H TYR 44 2.701 -3.097 0.690 302 HA TYR 44 HA TYR 44 2.047 -3.172 3.514 303 1HB TYR 44 1HB TYR 44 4.184 -4.978 2.361 304 2HB TYR 44 2HB TYR 44 3.860 -4.738 4.074 305 HD1 TYR 44 HD1 TYR 44 2.948 -6.541 1.096 306 HD2 TYR 44 HD2 TYR 44 1.643 -5.492 5.007 307 HE1 TYR 44 HE1 TYR 44 1.312 -8.377 1.036 308 HE2 TYR 44 HE2 TYR 44 0.005 -7.326 4.959 309 HH TYR 44 HH TYR 44 -0.428 -9.379 3.838 310 H ASP 45 H ASP 45 3.099 -1.611 4.562 311 HA ASP 45 HA ASP 45 4.736 0.237 3.256 312 1HB ASP 45 1HB ASP 45 3.422 0.203 5.631 313 2HB ASP 45 2HB ASP 45 5.086 0.024 6.181 314 H VAL 46 H VAL 46 6.933 0.833 4.608 315 HA VAL 46 HA VAL 46 8.857 -0.974 3.664 316 HB VAL 46 HB VAL 46 9.448 1.335 3.986 317 1HG1 VAL 46 1HG1 VAL 46 9.219 0.947 6.961 318 2HG1 VAL 46 2HG1 VAL 46 9.488 2.449 6.075 319 3HG1 VAL 46 3HG1 VAL 46 7.926 1.635 5.979 320 1HG2 VAL 46 1HG2 VAL 46 11.203 -0.421 4.247 321 2HG2 VAL 46 2HG2 VAL 46 11.572 1.097 5.064 322 3HG2 VAL 46 3HG2 VAL 46 11.002 -0.289 5.994 323 H GLU 47 H GLU 47 7.634 -0.408 6.951 324 HA GLU 47 HA GLU 47 9.282 -2.424 8.129 325 1HB GLU 47 1HB GLU 47 6.831 -0.986 9.156 326 2HB GLU 47 2HB GLU 47 7.800 -2.092 10.120 327 1HG GLU 47 1HG GLU 47 9.388 -0.570 10.491 328 2HG GLU 47 2HG GLU 47 9.355 0.013 8.828 329 H SER 48 H SER 48 5.790 -2.235 7.440 330 HA SER 48 HA SER 48 5.093 -4.796 8.254 331 1HB SER 48 1HB SER 48 3.741 -2.681 7.170 332 2HB SER 48 2HB SER 48 3.681 -3.847 5.848 333 HG SER 48 HG SER 48 2.553 -3.974 8.397 334 H GLY 49 H GLY 49 5.997 -3.695 4.986 335 1HA GLY 49 1HA GLY 49 5.841 -6.217 3.751 336 2HA GLY 49 2HA GLY 49 6.776 -4.851 3.162 337 H LEU 50 H LEU 50 8.595 -4.541 5.235 338 HA LEU 50 HA LEU 50 10.622 -6.284 4.547 339 1HB LEU 50 1HB LEU 50 11.414 -4.425 5.605 340 2HB LEU 50 2HB LEU 50 10.136 -4.439 6.819 341 HG LEU 50 HG LEU 50 11.269 -6.217 8.026 342 1HD1 LEU 50 1HD1 LEU 50 12.530 -6.693 5.575 343 2HD1 LEU 50 2HD1 LEU 50 12.788 -7.539 7.100 344 3HD1 LEU 50 3HD1 LEU 50 13.802 -6.161 6.675 345 1HD2 LEU 50 1HD2 LEU 50 12.425 -3.599 7.512 346 2HD2 LEU 50 2HD2 LEU 50 13.616 -4.771 8.078 347 3HD2 LEU 50 3HD2 LEU 50 12.172 -4.447 9.038 348 H GLN 51 H GLN 51 8.620 -6.398 7.495 349 HA GLN 51 HA GLN 51 9.692 -8.809 8.474 350 1HB GLN 51 1HB GLN 51 6.931 -7.682 8.967 351 2HB GLN 51 2HB GLN 51 7.770 -8.862 9.966 352 1HG GLN 51 1HG GLN 51 9.252 -6.376 9.542 353 2HG GLN 51 2HG GLN 51 7.726 -6.181 10.404 354 1HE2 GLN 51 2HE2 GLN 51 10.691 -8.104 10.371 355 2HE2 GLN 51 1HE2 GLN 51 10.775 -8.329 12.082 356 H GLN 52 H GLN 52 7.348 -8.143 6.027 357 HA GLN 52 HA GLN 52 6.112 -10.728 6.052 358 1HB GLN 52 1HB GLN 52 5.532 -8.274 4.897 359 2HB GLN 52 2HB GLN 52 5.951 -9.288 3.523 360 1HG GLN 52 1HG GLN 52 3.925 -10.047 5.612 361 2HG GLN 52 2HG GLN 52 3.528 -9.242 4.095 362 1HE2 GLN 52 2HE2 GLN 52 3.566 -12.133 5.566 363 2HE2 GLN 52 1HE2 GLN 52 3.741 -13.174 4.198 364 H LEU 53 H LEU 53 8.925 -9.333 4.590 365 HA LEU 53 HA LEU 53 9.238 -11.286 2.528 366 1HB LEU 53 1HB LEU 53 10.773 -9.021 3.608 367 2HB LEU 53 2HB LEU 53 11.740 -10.315 2.904 368 HG LEU 53 HG LEU 53 11.478 -8.928 1.099 369 1HD1 LEU 53 1HD1 LEU 53 10.456 -11.255 0.756 370 2HD1 LEU 53 2HD1 LEU 53 10.112 -10.012 -0.446 371 3HD1 LEU 53 3HD1 LEU 53 8.901 -10.423 0.769 372 1HD2 LEU 53 1HD2 LEU 53 10.121 -7.233 2.070 373 2HD2 LEU 53 2HD2 LEU 53 8.726 -8.309 2.156 374 3HD2 LEU 53 3HD2 LEU 53 9.318 -7.755 0.589 375 H LEU 54 H LEU 54 10.971 -10.729 5.596 376 HA LEU 54 HA LEU 54 12.272 -13.293 5.441 377 1HB LEU 54 1HB LEU 54 13.589 -12.567 7.126 378 2HB LEU 54 2HB LEU 54 12.992 -11.000 6.583 379 HG LEU 54 HG LEU 54 12.830 -10.879 8.897 380 1HD1 LEU 54 1HD1 LEU 54 10.102 -11.912 8.698 381 2HD1 LEU 54 2HD1 LEU 54 10.548 -10.795 7.408 382 3HD1 LEU 54 3HD1 LEU 54 10.681 -10.293 9.094 383 1HD2 LEU 54 1HD2 LEU 54 11.306 -13.259 9.525 384 2HD2 LEU 54 2HD2 LEU 54 12.789 -12.643 10.254 385 3HD2 LEU 54 3HD2 LEU 54 12.869 -13.649 8.806 386 H ASP 55 H ASP 55 9.214 -12.368 6.265 387 HA ASP 55 HA ASP 55 8.529 -13.610 8.607 388 1HB ASP 55 1HB ASP 55 6.750 -12.513 7.624 389 2HB ASP 55 2HB ASP 55 7.084 -13.178 6.028 390 H GLY 56 H GLY 56 8.943 -15.585 9.332 391 1HA GLY 56 1HA GLY 56 8.056 -17.961 8.526 392 2HA GLY 56 2HA GLY 56 9.429 -17.755 7.450 393 H SER 57 H SER 57 10.693 -16.181 9.790 394 HA SER 57 HA SER 57 11.599 -18.560 11.275 395 1HB SER 57 1HB SER 57 13.734 -17.078 11.580 396 2HB SER 57 2HB SER 57 13.488 -17.942 10.063 397 HG SER 57 HG SER 57 13.064 -15.201 10.614 398 H GLY 58 H GLY 58 11.342 -15.010 11.510 399 1HA GLY 58 1HA GLY 58 10.179 -13.931 13.295 400 2HA GLY 58 2HA GLY 58 10.466 -15.348 14.295 401 H LEU 59 H LEU 59 11.738 -12.336 13.152 402 HA LEU 59 HA LEU 59 13.873 -12.532 15.157 403 1HB LEU 59 1HB LEU 59 14.127 -11.744 12.278 404 2HB LEU 59 2HB LEU 59 15.254 -11.133 13.487 405 HG LEU 59 HG LEU 59 15.314 -13.840 13.935 406 1HD1 LEU 59 1HD1 LEU 59 14.002 -13.721 11.579 407 2HD1 LEU 59 2HD1 LEU 59 15.052 -15.053 12.061 408 3HD1 LEU 59 3HD1 LEU 59 15.673 -13.774 11.017 409 1HD2 LEU 59 1HD2 LEU 59 17.381 -12.944 13.945 410 2HD2 LEU 59 2HD2 LEU 59 17.021 -11.824 12.631 411 3HD2 LEU 59 3HD2 LEU 59 17.413 -13.507 12.274 412 H GLN 60 H GLN 60 14.908 -10.247 15.425 413 HA GLN 60 HA GLN 60 12.685 -8.333 15.648 414 1HB GLN 60 1HB GLN 60 13.691 -7.442 17.575 415 2HB GLN 60 2HB GLN 60 13.889 -9.181 17.741 416 1HG GLN 60 1HG GLN 60 16.178 -8.450 16.432 417 2HG GLN 60 2HG GLN 60 15.890 -7.079 17.502 418 1HE2 GLN 60 2HE2 GLN 60 16.580 -10.478 17.312 419 2HE2 GLN 60 1HE2 GLN 60 17.028 -10.688 18.967 420 H VAL 61 H VAL 61 12.951 -6.202 15.016 421 HA VAL 61 HA VAL 61 15.431 -5.568 13.559 422 HB VAL 61 HB VAL 61 12.738 -4.627 12.608 423 1HG1 VAL 61 1HG1 VAL 61 14.929 -5.080 10.717 424 2HG1 VAL 61 2HG1 VAL 61 13.853 -3.692 10.900 425 3HG1 VAL 61 3HG1 VAL 61 15.268 -3.857 11.942 426 1HG2 VAL 61 1HG2 VAL 61 13.909 -7.295 12.370 427 2HG2 VAL 61 2HG2 VAL 61 12.253 -6.754 12.093 428 3HG2 VAL 61 3HG2 VAL 61 13.465 -6.570 10.824 429 H LYS 62 H LYS 62 16.357 -3.756 14.233 430 HA LYS 62 HA LYS 62 14.685 -1.598 15.305 431 1HB LYS 62 1HB LYS 62 16.524 -1.252 17.056 432 2HB LYS 62 2HB LYS 62 15.403 -2.583 17.311 433 1HG LYS 62 1HG LYS 62 17.796 -3.315 15.799 434 2HG LYS 62 2HG LYS 62 18.116 -2.761 17.444 435 1HD LYS 62 1HD LYS 62 15.934 -4.741 16.972 436 2HD LYS 62 2HD LYS 62 17.612 -5.289 16.956 437 1HE LYS 62 1HE LYS 62 17.159 -5.555 19.173 438 2HE LYS 62 2HE LYS 62 17.705 -3.879 19.195 439 1HZ LYS 62 1HZ LYS 62 14.874 -4.265 18.699 440 2HZ LYS 62 2HZ LYS 62 15.658 -3.129 19.676 441 3HZ LYS 62 3HZ LYS 62 15.401 -4.700 20.247 442 HA PRO 63 HA PRO 63 17.186 0.906 12.680 443 1HB PRO 63 1HB PRO 63 16.686 3.321 13.814 444 2HB PRO 63 2HB PRO 63 15.502 2.463 12.820 445 1HG PRO 63 1HG PRO 63 15.714 2.617 15.802 446 2HG PRO 63 2HG PRO 63 14.272 2.728 14.775 447 1HD PRO 63 1HD PRO 63 14.955 0.460 16.089 448 2HD PRO 63 2HD PRO 63 14.124 0.442 14.520 449 H LEU 64 H LEU 64 19.052 2.299 12.710 450 HA LEU 64 HA LEU 64 20.551 2.222 15.245 451 1HB LEU 64 1HB LEU 64 21.956 2.112 12.617 452 2HB LEU 64 2HB LEU 64 22.487 1.540 14.198 453 HG LEU 64 HG LEU 64 20.362 0.205 12.523 454 1HD1 LEU 64 1HD1 LEU 64 22.534 0.097 11.419 455 2HD1 LEU 64 2HD1 LEU 64 22.056 -1.482 12.039 456 3HD1 LEU 64 3HD1 LEU 64 23.263 -0.527 12.898 457 1HD2 LEU 64 1HD2 LEU 64 19.883 -0.694 14.524 458 2HD2 LEU 64 2HD2 LEU 64 21.417 -0.189 15.234 459 3HD2 LEU 64 3HD2 LEU 64 21.339 -1.650 14.247 460 H GLY 65 H GLY 65 20.783 3.710 12.003 461 1HA GLY 65 1HA GLY 65 21.122 6.315 13.347 462 2HA GLY 65 2HA GLY 65 22.196 5.825 12.045 463 H ASN 66 H ASN 66 21.698 6.536 10.085 464 HA ASN 66 HA ASN 66 19.294 7.999 9.622 465 1HB ASN 66 1HB ASN 66 21.825 7.820 8.420 466 2HB ASN 66 2HB ASN 66 20.683 7.293 7.186 467 1HD2 ASN 66 2HD2 ASN 66 18.936 8.724 6.644 468 2HD2 ASN 66 1HD2 ASN 66 19.141 10.431 6.816 469 H ASN 67 H ASN 67 17.554 6.605 9.866 470 HA ASN 67 HA ASN 67 16.086 4.919 9.371 471 1HB ASN 67 1HB ASN 67 16.383 6.605 7.223 472 2HB ASN 67 2HB ASN 67 16.624 5.023 6.487 473 1HD2 ASN 67 2HD2 ASN 67 14.956 3.373 7.599 474 2HD2 ASN 67 1HD2 ASN 67 13.316 3.902 7.478 475 H SER 68 H SER 68 18.808 4.041 9.869 476 HA SER 68 HA SER 68 19.129 1.784 8.034 477 1HB SER 68 1HB SER 68 21.143 1.679 9.989 478 2HB SER 68 2HB SER 68 21.302 2.252 8.329 479 HG SER 68 HG SER 68 21.786 3.693 10.316 480 H TRP 69 H TRP 69 18.048 0.000 8.525 481 HA TRP 69 HA TRP 69 17.584 -0.651 11.353 482 1HB TRP 69 1HB TRP 69 16.196 -1.702 8.877 483 2HB TRP 69 2HB TRP 69 15.794 -2.133 10.537 484 HD1 TRP 69 HD1 TRP 69 16.150 1.242 8.625 485 HE1 TRP 69 HE1 TRP 69 14.150 2.724 9.278 486 HE3 TRP 69 HE3 TRP 69 13.798 -1.947 11.855 487 HZ2 TRP 69 HZ2 TRP 69 11.876 2.563 10.944 488 HZ3 TRP 69 HZ3 TRP 69 11.716 -1.206 12.937 489 HH2 TRP 69 HH2 TRP 69 10.777 1.003 12.490 490 H THR 70 H THR 70 17.902 -2.802 12.096 491 HA THR 70 HA THR 70 19.569 -4.511 10.387 492 HB THR 70 HB THR 70 21.042 -3.179 11.905 493 HG1 THR 70 HG1 THR 70 22.301 -4.892 12.007 494 1HG2 THR 70 1HG2 THR 70 19.547 -2.997 13.822 495 2HG2 THR 70 2HG2 THR 70 21.066 -3.758 14.296 496 3HG2 THR 70 3HG2 THR 70 19.621 -4.741 14.064 497 H LEU 71 H LEU 71 19.495 -6.730 10.869 498 HA LEU 71 HA LEU 71 17.148 -7.510 12.447 499 1HB LEU 71 1HB LEU 71 18.432 -8.500 10.008 500 2HB LEU 71 2HB LEU 71 17.947 -9.766 11.134 501 HG LEU 71 HG LEU 71 16.252 -9.330 9.407 502 1HD1 LEU 71 1HD1 LEU 71 14.336 -9.078 10.932 503 2HD1 LEU 71 2HD1 LEU 71 15.442 -8.585 12.214 504 3HD1 LEU 71 3HD1 LEU 71 15.541 -10.212 11.543 505 1HD2 LEU 71 1HD2 LEU 71 16.246 -6.577 10.626 506 2HD2 LEU 71 2HD2 LEU 71 14.934 -7.199 9.625 507 3HD2 LEU 71 3HD2 LEU 71 16.553 -7.020 8.947 508 H GLU 72 H GLU 72 17.250 -9.097 14.022 509 HA GLU 72 HA GLU 72 19.849 -10.255 14.671 510 1HB GLU 72 1HB GLU 72 18.326 -8.341 16.398 511 2HB GLU 72 2HB GLU 72 19.269 -9.620 17.150 512 1HG GLU 72 1HG GLU 72 21.280 -8.762 16.402 513 2HG GLU 72 2HG GLU 72 20.520 -7.842 15.104 514 HA PRO 73 HA PRO 73 17.514 -13.808 15.753 515 1HB PRO 73 1HB PRO 73 19.020 -14.869 17.747 516 2HB PRO 73 2HB PRO 73 19.516 -14.896 16.051 517 1HG PRO 73 1HG PRO 73 20.352 -13.033 18.240 518 2HG PRO 73 2HG PRO 73 21.344 -13.809 16.991 519 1HD PRO 73 1HD PRO 73 20.524 -11.235 16.810 520 2HD PRO 73 2HD PRO 73 20.749 -12.267 15.384 521 H ALA 74 H ALA 74 15.630 -13.835 16.790 522 HA ALA 74 HA ALA 74 15.511 -12.765 19.534 523 1HB ALA 74 1HB ALA 74 13.987 -12.094 17.269 524 2HB ALA 74 2HB ALA 74 12.916 -12.990 18.347 525 3HB ALA 74 3HB ALA 74 13.754 -11.552 18.931 526 HA PRO 75 HA PRO 75 14.182 -16.637 21.113 527 1HB PRO 75 1HB PRO 75 12.299 -15.911 22.929 528 2HB PRO 75 2HB PRO 75 14.028 -15.635 23.175 529 1HG PRO 75 1HG PRO 75 11.920 -13.728 22.235 530 2HG PRO 75 2HG PRO 75 13.234 -13.460 23.395 531 1HD PRO 75 1HD PRO 75 13.370 -12.630 20.821 532 2HD PRO 75 2HD PRO 75 14.803 -13.144 21.736 533 H ALA 76 H ALA 76 12.307 -18.083 21.416 534 HA ALA 76 HA ALA 76 10.456 -17.794 19.207 535 1HB ALA 76 1HB ALA 76 9.784 -20.106 20.598 536 2HB ALA 76 2HB ALA 76 10.800 -19.990 19.161 537 3HB ALA 76 3HB ALA 76 11.535 -19.974 20.764 538 HA PRO 77 HA PRO 77 6.898 -16.484 21.416 539 1HB PRO 77 1HB PRO 77 4.923 -17.939 20.252 540 2HB PRO 77 2HB PRO 77 5.742 -16.604 19.434 541 1HG PRO 77 1HG PRO 77 6.211 -19.550 19.186 542 2HG PRO 77 2HG PRO 77 6.142 -18.317 17.913 543 1HD PRO 77 1HD PRO 77 8.479 -19.287 18.877 544 2HD PRO 77 2HD PRO 77 8.304 -17.617 18.299 545 H LYS 78 H LYS 78 5.069 -17.205 22.778 546 HA LYS 78 HA LYS 78 5.446 -19.890 23.911 547 1HB LYS 78 1HB LYS 78 5.142 -18.947 26.179 548 2HB LYS 78 2HB LYS 78 6.606 -18.368 25.395 549 1HG LYS 78 1HG LYS 78 5.952 -16.318 25.922 550 2HG LYS 78 2HG LYS 78 4.681 -16.494 24.710 551 1HD LYS 78 1HD LYS 78 3.641 -15.812 26.747 552 2HD LYS 78 2HD LYS 78 3.246 -17.514 26.496 553 1HE LYS 78 1HE LYS 78 4.793 -18.214 28.135 554 2HE LYS 78 2HE LYS 78 5.566 -16.631 28.191 555 1HZ LYS 78 1HZ LYS 78 2.734 -16.709 28.850 556 2HZ LYS 78 2HZ LYS 78 3.984 -15.806 29.546 557 3HZ LYS 78 3HZ LYS 78 3.777 -17.431 29.969 558 H GLU 79 H GLU 79 3.443 -18.483 22.117 559 HA GLU 79 HA GLU 79 1.131 -19.767 23.083 560 1HB GLU 79 1HB GLU 79 1.150 -17.884 24.689 561 2HB GLU 79 2HB GLU 79 1.092 -16.755 23.342 562 1HG GLU 79 1HG GLU 79 -1.023 -18.838 23.594 563 2HG GLU 79 2HG GLU 79 -1.080 -17.409 24.624 564 H ASP 80 H ASP 80 0.937 -20.533 21.016 565 HA ASP 80 HA ASP 80 0.230 -18.539 18.965 566 1HB ASP 80 1HB ASP 80 2.047 -20.890 18.826 567 2HB ASP 80 2HB ASP 80 1.042 -20.564 17.417 568 H ALA 81 H ALA 81 -1.690 -18.794 18.004 569 HA ALA 81 HA ALA 81 -3.394 -20.968 18.871 570 1HB ALA 81 1HB ALA 81 -4.337 -19.004 16.860 571 2HB ALA 81 2HB ALA 81 -5.159 -19.666 18.274 572 3HB ALA 81 3HB ALA 81 -3.947 -18.401 18.471 573 H LEU 82 H LEU 82 -4.008 -22.690 17.698 574 HA LEU 82 HA LEU 82 -3.226 -22.777 14.860 575 1HB LEU 82 1HB LEU 82 -1.833 -24.148 16.542 576 2HB LEU 82 2HB LEU 82 -3.242 -25.205 16.617 577 HG LEU 82 HG LEU 82 -3.026 -25.532 14.146 578 1HD1 LEU 82 1HD1 LEU 82 -0.264 -24.850 13.933 579 2HD1 LEU 82 2HD1 LEU 82 -1.179 -23.419 14.405 580 3HD1 LEU 82 3HD1 LEU 82 -1.623 -24.308 12.948 581 1HD2 LEU 82 1HD2 LEU 82 -0.810 -26.870 14.417 582 2HD2 LEU 82 2HD2 LEU 82 -2.231 -27.329 15.355 583 3HD2 LEU 82 3HD2 LEU 82 -0.942 -26.388 16.108 584 H THR 83 H THR 83 -4.629 -23.772 13.447 585 HA THR 83 HA THR 83 -7.360 -24.025 14.377 586 HB THR 83 HB THR 83 -6.953 -22.844 12.280 587 HG1 THR 83 HG1 THR 83 -8.454 -24.087 10.996 588 1HG2 THR 83 1HG2 THR 83 -5.350 -25.212 11.710 589 2HG2 THR 83 2HG2 THR 83 -5.278 -23.600 10.997 590 3HG2 THR 83 3HG2 THR 83 -6.436 -24.783 10.388 591 H VAL 84 H VAL 84 -8.701 -25.867 13.888 592 HA VAL 84 HA VAL 84 -7.182 -28.393 13.787 593 HB VAL 84 HB VAL 84 -9.826 -27.975 15.181 594 1HG1 VAL 84 1HG1 VAL 84 -9.166 -30.155 16.262 595 2HG1 VAL 84 2HG1 VAL 84 -9.576 -30.247 14.548 596 3HG1 VAL 84 3HG1 VAL 84 -7.887 -30.272 15.054 597 1HG2 VAL 84 1HG2 VAL 84 -7.177 -27.267 16.026 598 2HG2 VAL 84 2HG2 VAL 84 -8.713 -27.040 16.863 599 3HG2 VAL 84 3HG2 VAL 84 -7.818 -28.547 17.057 600 H VAL 85 H VAL 85 -7.390 -28.578 11.534 601 HA VAL 85 HA VAL 85 -9.825 -28.362 10.129 602 HB VAL 85 HB VAL 85 -8.713 -29.478 8.292 603 1HG1 VAL 85 1HG1 VAL 85 -6.674 -28.062 8.123 604 2HG1 VAL 85 2HG1 VAL 85 -8.121 -27.173 8.604 605 3HG1 VAL 85 3HG1 VAL 85 -6.906 -27.602 9.809 606 1HG2 VAL 85 1HG2 VAL 85 -6.130 -30.006 9.200 607 2HG2 VAL 85 2HG2 VAL 85 -7.197 -30.700 10.421 608 3HG2 VAL 85 3HG2 VAL 85 -7.355 -31.186 8.733 609 H GLY 86 H GLY 86 -10.453 -30.462 8.727 610 1HA GLY 86 1HA GLY 86 -10.840 -32.853 8.864 611 2HA GLY 86 2HA GLY 86 -10.825 -32.698 10.615 612 H ASP 87 H ASP 87 -12.870 -33.973 10.232 613 HA ASP 87 HA ASP 87 -15.146 -32.741 9.099 614 1HB ASP 87 1HB ASP 87 -14.748 -35.227 9.697 615 2HB ASP 87 2HB ASP 87 -15.293 -34.775 11.310 616 H TRP 88 H TRP 88 -16.843 -31.623 10.021 617 HA TRP 88 HA TRP 88 -16.219 -30.338 12.581 618 1HB TRP 88 1HB TRP 88 -18.460 -29.457 10.797 619 2HB TRP 88 2HB TRP 88 -17.458 -28.500 11.886 620 HD1 TRP 88 HD1 TRP 88 -17.939 -29.071 8.331 621 HE1 TRP 88 HE1 TRP 88 -15.896 -28.302 6.967 622 HE3 TRP 88 HE3 TRP 88 -14.554 -28.604 12.133 623 HZ2 TRP 88 HZ2 TRP 88 -13.206 -27.592 7.440 624 HZ3 TRP 88 HZ3 TRP 88 -12.267 -27.875 11.593 625 HH2 TRP 88 HH2 TRP 88 -11.608 -27.381 9.294 626 H LEU 89 H LEU 89 -18.677 -29.483 13.393 627 HA LEU 89 HA LEU 89 -19.828 -31.950 14.398 628 1HB LEU 89 1HB LEU 89 -20.113 -29.051 15.080 629 2HB LEU 89 2HB LEU 89 -21.291 -30.223 15.667 630 HG LEU 89 HG LEU 89 -19.646 -29.766 17.376 631 1HD1 LEU 89 1HD1 LEU 89 -18.804 -32.457 16.453 632 2HD1 LEU 89 2HD1 LEU 89 -20.522 -32.180 16.736 633 3HD1 LEU 89 3HD1 LEU 89 -19.362 -31.923 18.039 634 1HD2 LEU 89 1HD2 LEU 89 -17.527 -30.871 15.553 635 2HD2 LEU 89 2HD2 LEU 89 -17.324 -30.068 17.110 636 3HD2 LEU 89 3HD2 LEU 89 -17.845 -29.142 15.701 637 H GLY 90 H GLY 90 -20.355 -31.935 11.789 638 1HA GLY 90 1HA GLY 90 -22.615 -30.585 10.868 639 2HA GLY 90 2HA GLY 90 -22.067 -32.147 10.276 640 H ASP 91 H ASP 91 -24.583 -32.095 10.090 641 HA ASP 91 HA ASP 91 -25.579 -33.645 12.363 642 1HB ASP 91 1HB ASP 91 -27.811 -32.424 12.088 643 2HB ASP 91 2HB ASP 91 -26.515 -31.544 12.894 644 H ALA 92 H ALA 92 -26.459 -35.483 11.694 645 HA ALA 92 HA ALA 92 -27.748 -35.579 9.058 646 1HB ALA 92 1HB ALA 92 -26.328 -38.036 9.645 647 2HB ALA 92 2HB ALA 92 -26.315 -37.043 8.186 648 3HB ALA 92 3HB ALA 92 -25.240 -36.652 9.529 649 H ARG 93 H ARG 93 -29.744 -36.328 9.263 650 HA ARG 93 HA ARG 93 -30.289 -38.369 11.311 651 1HB ARG 93 1HB ARG 93 -32.520 -37.287 11.655 652 2HB ARG 93 2HB ARG 93 -31.156 -36.325 12.209 653 1HG ARG 93 1HG ARG 93 -31.479 -34.712 10.651 654 2HG ARG 93 2HG ARG 93 -32.103 -35.844 9.449 655 1HD ARG 93 1HD ARG 93 -34.178 -35.257 9.973 656 2HD ARG 93 2HD ARG 93 -33.915 -35.807 11.627 657 HE ARG 93 HE ARG 93 -33.975 -33.097 10.697 658 1HH1 ARG 93 2HH1 ARG 93 -32.705 -35.237 13.132 659 2HH1 ARG 93 1HH1 ARG 93 -32.497 -33.984 14.310 660 1HH2 ARG 93 2HH2 ARG 93 -33.706 -31.439 12.240 661 2HH2 ARG 93 1HH2 ARG 93 -33.068 -31.824 13.803 662 H GLU 94 H GLU 94 -32.447 -39.467 10.897 663 HA GLU 94 HA GLU 94 -33.083 -39.627 8.040 664 1HB GLU 94 1HB GLU 94 -31.406 -41.424 8.838 665 2HB GLU 94 2HB GLU 94 -32.780 -42.130 9.677 666 1HG GLU 94 1HG GLU 94 -32.684 -43.283 7.662 667 2HG GLU 94 2HG GLU 94 -33.960 -42.091 7.416 668 H ASN 95 H ASN 95 -35.156 -40.547 7.576 669 HA ASN 95 HA ASN 95 -37.183 -39.723 9.341 670 1HB ASN 95 1HB ASN 95 -38.685 -41.069 7.774 671 2HB ASN 95 2HB ASN 95 -37.730 -39.785 7.039 672 1HD2 ASN 95 2HD2 ASN 95 -38.524 -43.052 6.979 673 2HD2 ASN 95 1HD2 ASN 95 -37.346 -43.576 5.829 674 H ASP 96 H ASP 96 -38.811 -41.012 10.394 675 HA ASP 96 HA ASP 96 -37.654 -43.345 11.688 676 1HB ASP 96 1HB ASP 96 -38.871 -41.439 12.900 677 2HB ASP 96 2HB ASP 96 -40.356 -42.149 12.274 678 H LEU 97 H LEU 97 -39.028 -45.274 12.060 679 HA LEU 97 HA LEU 97 -40.501 -45.938 9.604 680 1HB LEU 97 1HB LEU 97 -38.415 -47.234 10.351 681 2HB LEU 97 2HB LEU 97 -39.454 -47.920 11.599 682 HG LEU 97 HG LEU 97 -40.919 -48.833 9.833 683 1HD1 LEU 97 1HD1 LEU 97 -40.805 -47.976 7.791 684 2HD1 LEU 97 2HD1 LEU 97 -39.246 -48.776 7.594 685 3HD1 LEU 97 3HD1 LEU 97 -39.316 -47.114 8.178 686 1HD2 LEU 97 1HD2 LEU 97 -39.373 -50.371 10.679 687 2HD2 LEU 97 2HD2 LEU 97 -38.010 -49.572 9.895 688 3HD2 LEU 97 3HD2 LEU 97 -39.177 -50.476 8.929 689 H GLU 98 H GLU 98 -42.540 -45.212 10.156 690 HA GLU 98 HA GLU 98 -43.824 -45.618 12.611 691 1HB GLU 98 1HB GLU 98 -44.667 -44.003 11.023 692 2HB GLU 98 2HB GLU 98 -44.972 -45.266 9.839 693 1HG GLU 98 1HG GLU 98 -46.850 -46.014 10.908 694 2HG GLU 98 2HG GLU 98 -46.313 -45.441 12.487 695 H HIS 99 H HIS 99 -44.491 -47.420 13.553 696 HA HIS 99 HA HIS 99 -44.951 -49.800 11.890 697 1HB HIS 99 1HB HIS 99 -43.239 -50.164 13.540 698 2HB HIS 99 2HB HIS 99 -44.262 -49.517 14.819 699 HD1 HIS 99 HD1 HIS 99 -44.702 -52.316 12.263 700 HD2 HIS 99 HD2 HIS 99 -45.176 -51.554 16.320 701 HE1 HIS 99 HE1 HIS 99 -45.583 -54.454 13.250 702 H HIS 100 H HIS 100 -47.037 -49.990 11.379 703 HA HIS 100 HA HIS 100 -49.118 -49.065 13.160 704 1HB HIS 100 1HB HIS 100 -49.028 -49.047 10.519 705 2HB HIS 100 2HB HIS 100 -49.705 -50.662 10.703 706 HD1 HIS 100 HD1 HIS 100 -51.941 -49.885 9.646 707 HD2 HIS 100 HD2 HIS 100 -50.928 -47.903 13.154 708 HE1 HIS 100 HE1 HIS 100 -54.026 -48.674 10.360 709 H HIS 101 H HIS 101 -51.060 -50.561 13.479 710 HA HIS 101 HA HIS 101 -50.138 -52.889 14.879 711 1HB HIS 101 1HB HIS 101 -52.143 -51.254 15.405 712 2HB HIS 101 2HB HIS 101 -53.042 -52.375 14.386 713 HD1 HIS 101 HD1 HIS 101 -54.452 -53.221 16.367 714 HD2 HIS 101 HD2 HIS 101 -50.365 -53.796 16.840 715 HE1 HIS 101 HE1 HIS 101 -54.215 -54.786 18.321 716 H HIS 102 H HIS 102 -51.189 -55.031 14.591 717 HA HIS 102 HA HIS 102 -51.468 -56.898 13.315 718 1HB HIS 102 1HB HIS 102 -53.653 -55.637 12.959 719 2HB HIS 102 2HB HIS 102 -52.992 -55.123 11.410 720 HD1 HIS 102 HD1 HIS 102 -52.534 -58.596 12.792 721 HD2 HIS 102 HD2 HIS 102 -54.700 -56.625 9.845 722 HE1 HIS 102 HE1 HIS 102 -53.587 -60.410 11.405 723 H HIS 103 H HIS 103 -49.033 -55.782 12.902 724 HA HIS 103 HA HIS 103 -48.635 -56.070 9.995 725 1HB HIS 103 1HB HIS 103 -47.453 -54.172 11.963 726 2HB HIS 103 2HB HIS 103 -46.412 -54.758 10.669 727 HD1 HIS 103 HD1 HIS 103 -46.348 -52.343 9.679 728 HD2 HIS 103 HD2 HIS 103 -50.116 -54.091 9.744 729 HE1 HIS 103 HE1 HIS 103 -47.776 -50.916 8.180 730 H HIS 104 H HIS 104 -48.622 -58.408 10.783 731 HA HIS 104 HA HIS 104 -46.431 -59.384 12.287 732 1HB HIS 104 1HB HIS 104 -47.150 -61.567 11.639 733 2HB HIS 104 2HB HIS 104 -48.603 -60.596 11.855 734 HD1 HIS 104 HD1 HIS 104 -47.997 -63.199 9.927 735 HD2 HIS 104 HD2 HIS 104 -48.651 -59.245 8.834 736 HE1 HIS 104 HE1 HIS 104 -48.803 -63.284 7.546 Start of MODEL 18 1 1H ALA 1 H ALA 1 -0.050 0.027 -1.405 2 HA ALA 1 HA ALA 1 2.701 0.746 -2.175 3 1HB ALA 1 1HB ALA 1 3.434 -0.159 0.035 4 2HB ALA 1 2HB ALA 1 2.487 1.327 0.131 5 3HB ALA 1 3HB ALA 1 1.736 -0.224 0.509 6 H GLN 2 H GLN 2 0.759 -1.141 -3.355 7 HA GLN 2 HA GLN 2 1.245 -3.792 -2.681 8 1HB GLN 2 1HB GLN 2 -0.426 -2.780 -4.377 9 2HB GLN 2 2HB GLN 2 0.892 -2.914 -5.534 10 1HG GLN 2 1HG GLN 2 0.088 -5.290 -3.920 11 2HG GLN 2 2HG GLN 2 -0.862 -4.815 -5.326 12 1HE2 GLN 2 2HE2 GLN 2 0.937 -7.145 -4.706 13 2HE2 GLN 2 1HE2 GLN 2 2.019 -7.221 -6.050 14 H VAL 3 H VAL 3 3.006 -5.010 -2.747 15 HA VAL 3 HA VAL 3 5.073 -4.429 -4.752 16 HB VAL 3 HB VAL 3 5.618 -4.981 -1.832 17 1HG1 VAL 3 1HG1 VAL 3 7.428 -4.719 -4.216 18 2HG1 VAL 3 2HG1 VAL 3 8.000 -4.473 -2.565 19 3HG1 VAL 3 3HG1 VAL 3 7.336 -6.035 -3.046 20 1HG2 VAL 3 1HG2 VAL 3 5.098 -2.556 -3.202 21 2HG2 VAL 3 2HG2 VAL 3 5.596 -2.781 -1.525 22 3HG2 VAL 3 3HG2 VAL 3 6.812 -2.581 -2.787 23 H ASN 4 H ASN 4 5.555 -6.178 -5.894 24 HA ASN 4 HA ASN 4 5.104 -8.821 -4.670 25 1HB ASN 4 1HB ASN 4 4.910 -9.495 -7.206 26 2HB ASN 4 2HB ASN 4 3.528 -8.804 -6.361 27 1HD2 ASN 4 2HD2 ASN 4 5.965 -8.303 -8.762 28 2HD2 ASN 4 1HD2 ASN 4 5.315 -6.843 -9.417 29 H ILE 5 H ILE 5 6.972 -9.764 -4.204 30 HA ILE 5 HA ILE 5 9.198 -9.482 -6.116 31 HB ILE 5 HB ILE 5 9.420 -9.761 -3.116 32 1HG1 ILE 5 1HG1 ILE 5 10.259 -7.412 -4.812 33 2HG1 ILE 5 2HG1 ILE 5 8.666 -7.514 -4.071 34 1HG2 ILE 5 1HG2 ILE 5 11.231 -10.896 -4.262 35 2HG2 ILE 5 2HG2 ILE 5 11.545 -9.459 -5.234 36 3HG2 ILE 5 3HG2 ILE 5 11.827 -9.426 -3.493 37 1HD1 ILE 5 1HD1 ILE 5 11.187 -7.744 -2.467 38 2HD1 ILE 5 2HD1 ILE 5 10.434 -6.192 -2.835 39 3HD1 ILE 5 3HD1 ILE 5 9.551 -7.403 -1.905 40 H ALA 6 H ALA 6 10.250 -11.307 -6.730 41 HA ALA 6 HA ALA 6 9.021 -13.836 -5.997 42 1HB ALA 6 1HB ALA 6 10.181 -14.775 -7.858 43 2HB ALA 6 2HB ALA 6 9.516 -13.224 -8.371 44 3HB ALA 6 3HB ALA 6 11.232 -13.364 -7.988 45 HA PRO 7 HA PRO 7 12.149 -14.812 -3.021 46 1HB PRO 7 1HB PRO 7 11.536 -17.441 -2.733 47 2HB PRO 7 2HB PRO 7 10.561 -16.144 -2.031 48 1HG PRO 7 1HG PRO 7 10.111 -17.702 -4.547 49 2HG PRO 7 2HG PRO 7 8.942 -17.226 -3.301 50 1HD PRO 7 1HD PRO 7 9.195 -15.896 -5.646 51 2HD PRO 7 2HD PRO 7 8.735 -15.087 -4.134 52 H GLY 8 H GLY 8 13.409 -17.231 -2.797 53 1HA GLY 8 1HA GLY 8 14.712 -18.812 -4.051 54 2HA GLY 8 2HA GLY 8 14.671 -17.704 -5.414 55 H SER 9 H SER 9 15.198 -16.010 -2.579 56 HA SER 9 HA SER 9 17.896 -16.411 -2.025 57 1HB SER 9 1HB SER 9 18.521 -15.768 -4.215 58 2HB SER 9 2HB SER 9 17.357 -14.443 -4.245 59 HG SER 9 HG SER 9 19.487 -13.696 -3.888 60 H LEU 10 H LEU 10 18.342 -15.364 -0.187 61 HA LEU 10 HA LEU 10 16.392 -13.605 0.948 62 1HB LEU 10 1HB LEU 10 17.811 -15.304 2.179 63 2HB LEU 10 2HB LEU 10 19.148 -14.167 2.016 64 HG LEU 10 HG LEU 10 16.625 -13.216 3.281 65 1HD1 LEU 10 1HD1 LEU 10 18.626 -15.054 4.572 66 2HD1 LEU 10 2HD1 LEU 10 16.881 -15.267 4.444 67 3HD1 LEU 10 3HD1 LEU 10 17.540 -14.004 5.483 68 1HD2 LEU 10 1HD2 LEU 10 18.990 -12.034 2.756 69 2HD2 LEU 10 2HD2 LEU 10 19.296 -12.643 4.384 70 3HD2 LEU 10 3HD2 LEU 10 17.931 -11.565 4.086 71 H ASP 11 H ASP 11 19.728 -13.228 -0.197 72 HA ASP 11 HA ASP 11 20.013 -10.510 0.461 73 1HB ASP 11 1HB ASP 11 22.025 -11.570 -0.033 74 2HB ASP 11 2HB ASP 11 21.377 -12.349 -1.473 75 H LYS 12 H LYS 12 18.954 -12.088 -2.536 76 HA LYS 12 HA LYS 12 18.597 -9.708 -4.018 77 1HB LYS 12 1HB LYS 12 18.667 -11.510 -5.426 78 2HB LYS 12 2HB LYS 12 17.795 -12.553 -4.311 79 1HG LYS 12 1HG LYS 12 16.477 -12.139 -6.296 80 2HG LYS 12 2HG LYS 12 15.706 -11.414 -4.883 81 1HD LYS 12 1HD LYS 12 15.527 -9.740 -6.481 82 2HD LYS 12 2HD LYS 12 16.976 -9.271 -5.589 83 1HE LYS 12 1HE LYS 12 18.278 -9.518 -7.387 84 2HE LYS 12 2HE LYS 12 17.560 -11.077 -7.790 85 1HZ LYS 12 1HZ LYS 12 17.048 -9.687 -9.576 86 2HZ LYS 12 2HZ LYS 12 16.641 -8.381 -8.582 87 3HZ LYS 12 3HZ LYS 12 15.621 -9.727 -8.668 88 H ALA 13 H ALA 13 16.281 -11.760 -2.259 89 HA ALA 13 HA ALA 13 13.977 -10.285 -2.780 90 1HB ALA 13 1HB ALA 13 13.947 -12.515 -1.782 91 2HB ALA 13 2HB ALA 13 14.634 -11.861 -0.294 92 3HB ALA 13 3HB ALA 13 13.023 -11.366 -0.814 93 H LEU 14 H LEU 14 16.498 -9.800 -0.383 94 HA LEU 14 HA LEU 14 15.156 -7.884 1.194 95 1HB LEU 14 1HB LEU 14 16.983 -8.666 2.292 96 2HB LEU 14 2HB LEU 14 17.952 -8.778 0.824 97 HG LEU 14 HG LEU 14 18.253 -6.317 0.891 98 1HD1 LEU 14 1HD1 LEU 14 16.416 -5.493 2.070 99 2HD1 LEU 14 2HD1 LEU 14 17.766 -5.286 3.185 100 3HD1 LEU 14 3HD1 LEU 14 16.643 -6.627 3.402 101 1HD2 LEU 14 1HD2 LEU 14 19.381 -6.692 3.420 102 2HD2 LEU 14 2HD2 LEU 14 20.155 -6.938 1.854 103 3HD2 LEU 14 3HD2 LEU 14 19.363 -8.288 2.669 104 H ASN 15 H ASN 15 17.507 -7.502 -1.453 105 HA ASN 15 HA ASN 15 17.469 -4.692 -1.499 106 1HB ASN 15 1HB ASN 15 18.017 -6.563 -3.814 107 2HB ASN 15 2HB ASN 15 18.520 -4.880 -3.686 108 1HD2 ASN 15 2HD2 ASN 15 19.824 -7.701 -3.760 109 2HD2 ASN 15 1HD2 ASN 15 21.055 -7.576 -2.554 110 H GLN 16 H GLN 16 15.381 -7.093 -2.949 111 HA GLN 16 HA GLN 16 14.094 -5.517 -4.862 112 1HB GLN 16 1HB GLN 16 13.035 -7.824 -3.223 113 2HB GLN 16 2HB GLN 16 12.202 -7.131 -4.608 114 1HG GLN 16 1HG GLN 16 14.979 -7.922 -5.114 115 2HG GLN 16 2HG GLN 16 13.886 -9.246 -4.714 116 1HE2 GLN 16 2HE2 GLN 16 13.355 -10.209 -6.540 117 2HE2 GLN 16 1HE2 GLN 16 12.827 -9.424 -7.985 118 H TYR 17 H TYR 17 13.014 -6.266 -1.545 119 HA TYR 17 HA TYR 17 10.907 -4.335 -1.634 120 1HB TYR 17 1HB TYR 17 10.279 -5.146 0.419 121 2HB TYR 17 2HB TYR 17 11.231 -6.512 -0.152 122 HD1 TYR 17 HD1 TYR 17 13.300 -7.107 0.900 123 HD2 TYR 17 HD2 TYR 17 11.208 -3.606 2.110 124 HE1 TYR 17 HE1 TYR 17 14.740 -6.941 2.887 125 HE2 TYR 17 HE2 TYR 17 12.643 -3.429 4.100 126 HH TYR 17 HH TYR 17 15.150 -5.851 4.778 127 H ALA 18 H ALA 18 14.194 -4.400 -0.390 128 HA ALA 18 HA ALA 18 14.116 -2.051 1.141 129 1HB ALA 18 1HB ALA 18 16.499 -3.110 -0.368 130 2HB ALA 18 2HB ALA 18 16.507 -2.090 1.072 131 3HB ALA 18 3HB ALA 18 15.936 -3.755 1.174 132 H ALA 19 H ALA 19 14.485 -2.578 -2.298 133 HA ALA 19 HA ALA 19 15.294 0.120 -2.874 134 1HB ALA 19 1HB ALA 19 16.008 -1.669 -4.334 135 2HB ALA 19 2HB ALA 19 14.331 -2.085 -4.691 136 3HB ALA 19 3HB ALA 19 14.990 -0.541 -5.230 137 H HIS 20 H HIS 20 12.289 -1.627 -2.645 138 HA HIS 20 HA HIS 20 10.716 0.344 -4.013 139 1HB HIS 20 1HB HIS 20 9.117 -1.227 -3.938 140 2HB HIS 20 2HB HIS 20 10.318 -2.284 -3.201 141 HD1 HIS 20 HD1 HIS 20 7.567 0.120 -2.204 142 HD2 HIS 20 HD2 HIS 20 9.751 -3.049 -0.641 143 HE1 HIS 20 HE1 HIS 20 6.489 -0.415 0.004 144 H SER 21 H SER 21 11.811 -0.165 -0.765 145 HA SER 21 HA SER 21 9.895 1.662 0.403 146 1HB SER 21 1HB SER 21 10.534 -0.091 1.855 147 2HB SER 21 2HB SER 21 12.246 0.121 1.492 148 HG SER 21 HG SER 21 12.220 2.046 2.641 149 H GLY 22 H GLY 22 13.465 1.618 0.239 150 1HA GLY 22 1HA GLY 22 14.611 3.554 -0.725 151 2HA GLY 22 2HA GLY 22 13.368 4.561 0.003 152 H PHE 23 H PHE 23 14.655 1.893 1.797 153 HA PHE 23 HA PHE 23 16.247 3.773 3.414 154 1HB PHE 23 1HB PHE 23 15.465 2.839 5.408 155 2HB PHE 23 2HB PHE 23 14.020 2.891 4.403 156 HD1 PHE 23 HD1 PHE 23 15.900 0.908 6.559 157 HD2 PHE 23 HD2 PHE 23 13.651 0.695 2.951 158 HE1 PHE 23 HE1 PHE 23 15.582 -1.508 6.904 159 HE2 PHE 23 HE2 PHE 23 13.328 -1.720 3.291 160 HZ PHE 23 HZ PHE 23 14.293 -2.824 5.269 161 H THR 24 H THR 24 17.833 2.553 4.867 162 HA THR 24 HA THR 24 19.175 0.520 3.220 163 HB THR 24 HB THR 24 20.404 2.168 5.434 164 HG1 THR 24 HG1 THR 24 21.183 3.498 3.778 165 1HG2 THR 24 1HG2 THR 24 21.859 0.413 5.143 166 2HG2 THR 24 2HG2 THR 24 22.464 1.526 3.916 167 3HG2 THR 24 3HG2 THR 24 21.417 0.186 3.452 168 H LEU 25 H LEU 25 20.123 -1.313 4.217 169 HA LEU 25 HA LEU 25 19.263 -1.896 6.957 170 1HB LEU 25 1HB LEU 25 17.605 -2.837 5.373 171 2HB LEU 25 2HB LEU 25 18.894 -3.792 4.643 172 HG LEU 25 HG LEU 25 19.014 -4.459 7.329 173 1HD1 LEU 25 1HD1 LEU 25 16.827 -3.283 7.598 174 2HD1 LEU 25 2HD1 LEU 25 16.796 -4.994 8.023 175 3HD1 LEU 25 3HD1 LEU 25 16.123 -4.455 6.485 176 1HD2 LEU 25 1HD2 LEU 25 19.210 -5.861 5.226 177 2HD2 LEU 25 2HD2 LEU 25 17.450 -5.970 5.252 178 3HD2 LEU 25 3HD2 LEU 25 18.393 -6.612 6.597 179 H SER 26 H SER 26 20.774 -2.898 8.145 180 HA SER 26 HA SER 26 23.128 -3.974 6.734 181 1HB SER 26 1HB SER 26 22.935 -1.957 8.778 182 2HB SER 26 2HB SER 26 23.868 -3.326 9.382 183 HG SER 26 HG SER 26 25.335 -3.045 7.798 184 H VAL 27 H VAL 27 22.826 -6.126 6.758 185 HA VAL 27 HA VAL 27 22.476 -7.404 9.384 186 HB VAL 27 HB VAL 27 20.341 -7.644 8.348 187 1HG1 VAL 27 1HG1 VAL 27 21.945 -8.222 5.907 188 2HG1 VAL 27 2HG1 VAL 27 20.343 -8.946 6.065 189 3HG1 VAL 27 3HG1 VAL 27 20.529 -7.192 6.109 190 1HG2 VAL 27 1HG2 VAL 27 21.807 -10.225 7.834 191 2HG2 VAL 27 2HG2 VAL 27 21.361 -9.653 9.441 192 3HG2 VAL 27 3HG2 VAL 27 20.107 -10.020 8.256 193 H ASP 28 H ASP 28 23.733 -9.166 9.771 194 HA ASP 28 HA ASP 28 26.122 -9.529 8.453 195 1HB ASP 28 1HB ASP 28 24.514 -11.297 10.265 196 2HB ASP 28 2HB ASP 28 25.997 -11.905 9.535 197 H ALA 29 H ALA 29 26.404 -10.025 6.382 198 HA ALA 29 HA ALA 29 24.535 -11.410 4.786 199 1HB ALA 29 1HB ALA 29 26.617 -9.828 4.223 200 2HB ALA 29 2HB ALA 29 27.364 -11.399 3.928 201 3HB ALA 29 3HB ALA 29 25.907 -10.936 3.049 202 H SER 30 H SER 30 26.830 -12.525 7.023 203 HA SER 30 HA SER 30 27.752 -14.903 5.974 204 1HB SER 30 1HB SER 30 26.842 -14.636 8.839 205 2HB SER 30 2HB SER 30 28.169 -15.609 8.204 206 HG SER 30 HG SER 30 29.095 -13.503 7.553 207 H LEU 31 H LEU 31 24.708 -14.334 7.719 208 HA LEU 31 HA LEU 31 23.817 -17.044 7.240 209 1HB LEU 31 1HB LEU 31 22.035 -14.869 8.243 210 2HB LEU 31 2HB LEU 31 22.040 -16.584 8.646 211 HG LEU 31 HG LEU 31 24.426 -15.833 9.673 212 1HD1 LEU 31 1HD1 LEU 31 23.546 -13.420 8.984 213 2HD1 LEU 31 2HD1 LEU 31 24.506 -13.698 10.437 214 3HD1 LEU 31 3HD1 LEU 31 22.753 -13.553 10.554 215 1HD2 LEU 31 1HD2 LEU 31 21.688 -15.811 10.923 216 2HD2 LEU 31 2HD2 LEU 31 23.177 -15.665 11.858 217 3HD2 LEU 31 3HD2 LEU 31 22.870 -17.121 10.910 218 H THR 32 H THR 32 23.280 -13.846 5.927 219 HA THR 32 HA THR 32 20.947 -14.255 4.478 220 HB THR 32 HB THR 32 23.338 -12.566 3.719 221 HG1 THR 32 HG1 THR 32 22.175 -12.131 5.759 222 1HG2 THR 32 1HG2 THR 32 22.239 -12.437 1.746 223 2HG2 THR 32 2HG2 THR 32 21.200 -11.318 2.629 224 3HG2 THR 32 3HG2 THR 32 20.719 -13.004 2.437 225 H ARG 33 H ARG 33 24.219 -15.288 3.810 226 HA ARG 33 HA ARG 33 23.443 -16.263 1.163 227 1HB ARG 33 1HB ARG 33 25.841 -16.726 0.855 228 2HB ARG 33 2HB ARG 33 25.549 -15.048 1.291 229 1HG ARG 33 1HG ARG 33 27.190 -15.368 2.770 230 2HG ARG 33 2HG ARG 33 25.949 -16.174 3.732 231 1HD ARG 33 1HD ARG 33 27.525 -17.817 3.725 232 2HD ARG 33 2HD ARG 33 26.669 -18.243 2.244 233 HE ARG 33 HE ARG 33 28.827 -16.430 1.774 234 1HH1 ARG 33 2HH1 ARG 33 28.018 -19.778 2.281 235 2HH1 ARG 33 1HH1 ARG 33 29.406 -20.377 1.434 236 1HH2 ARG 33 2HH2 ARG 33 30.658 -17.206 0.656 237 2HH2 ARG 33 1HH2 ARG 33 30.907 -18.913 0.511 238 H GLY 34 H GLY 34 22.785 -18.288 0.904 239 1HA GLY 34 1HA GLY 34 23.596 -20.657 1.248 240 2HA GLY 34 2HA GLY 34 23.541 -20.269 2.961 241 H LYS 35 H LYS 35 21.087 -18.693 2.704 242 HA LYS 35 HA LYS 35 19.173 -20.872 2.177 243 1HB LYS 35 1HB LYS 35 17.913 -20.291 4.096 244 2HB LYS 35 2HB LYS 35 19.589 -20.349 4.625 245 1HG LYS 35 1HG LYS 35 19.259 -17.720 3.881 246 2HG LYS 35 2HG LYS 35 17.709 -18.136 4.617 247 1HD LYS 35 1HD LYS 35 18.924 -18.997 6.593 248 2HD LYS 35 2HD LYS 35 20.440 -18.468 5.859 249 1HE LYS 35 1HE LYS 35 19.867 -16.203 6.044 250 2HE LYS 35 2HE LYS 35 18.162 -16.566 6.306 251 1HZ LYS 35 1HZ LYS 35 19.524 -15.879 8.313 252 2HZ LYS 35 2HZ LYS 35 20.244 -17.407 8.230 253 3HZ LYS 35 3HZ LYS 35 18.576 -17.270 8.479 254 H GLN 36 H GLN 36 16.873 -19.985 1.972 255 HA GLN 36 HA GLN 36 16.963 -17.557 0.309 256 1HB GLN 36 1HB GLN 36 15.068 -19.908 0.157 257 2HB GLN 36 2HB GLN 36 14.986 -18.474 -0.858 258 1HG GLN 36 1HG GLN 36 16.090 -19.902 -2.246 259 2HG GLN 36 2HG GLN 36 17.453 -19.123 -1.443 260 1HE2 GLN 36 2HE2 GLN 36 18.603 -21.052 -2.136 261 2HE2 GLN 36 1HE2 GLN 36 18.531 -22.471 -1.155 262 H SER 37 H SER 37 14.561 -16.661 0.105 263 HA SER 37 HA SER 37 13.208 -16.675 2.689 264 1HB SER 37 1HB SER 37 14.548 -14.838 3.173 265 2HB SER 37 2HB SER 37 14.605 -14.308 1.492 266 HG SER 37 HG SER 37 12.516 -13.553 1.678 267 H ASN 38 H ASN 38 11.051 -15.991 2.608 268 HA ASN 38 HA ASN 38 9.773 -16.384 0.083 269 1HB ASN 38 1HB ASN 38 8.922 -16.968 2.477 270 2HB ASN 38 2HB ASN 38 8.361 -15.298 2.500 271 1HD2 ASN 38 2HD2 ASN 38 6.955 -17.932 2.450 272 2HD2 ASN 38 1HD2 ASN 38 5.845 -17.812 1.131 273 H GLY 39 H GLY 39 9.243 -14.917 -1.400 274 1HA GLY 39 1HA GLY 39 9.996 -12.211 -1.179 275 2HA GLY 39 2HA GLY 39 8.979 -12.889 -2.442 276 H LEU 40 H LEU 40 8.048 -10.641 -2.140 277 HA LEU 40 HA LEU 40 6.067 -10.633 0.038 278 1HB LEU 40 1HB LEU 40 7.676 -8.749 -0.006 279 2HB LEU 40 2HB LEU 40 7.064 -8.305 -1.598 280 HG LEU 40 HG LEU 40 4.884 -7.796 -0.633 281 1HD1 LEU 40 1HD1 LEU 40 5.950 -9.268 1.602 282 2HD1 LEU 40 2HD1 LEU 40 4.288 -8.790 1.259 283 3HD1 LEU 40 3HD1 LEU 40 5.365 -7.683 2.109 284 1HD2 LEU 40 1HD2 LEU 40 6.926 -6.183 -0.627 285 2HD2 LEU 40 2HD2 LEU 40 6.856 -6.395 1.122 286 3HD2 LEU 40 3HD2 LEU 40 5.464 -5.746 0.255 287 H HIS 41 H HIS 41 3.934 -9.800 -0.458 288 HA HIS 41 HA HIS 41 3.110 -9.527 -3.195 289 1HB HIS 41 1HB HIS 41 3.251 -12.119 -2.326 290 2HB HIS 41 2HB HIS 41 1.581 -11.708 -1.946 291 HD1 HIS 41 HD1 HIS 41 0.002 -12.131 -3.792 292 HD2 HIS 41 HD2 HIS 41 3.845 -11.402 -5.193 293 HE1 HIS 41 HE1 HIS 41 -0.128 -12.413 -6.288 294 H GLY 42 H GLY 42 2.046 -7.666 -2.777 295 1HA GLY 42 1HA GLY 42 -0.356 -7.090 -2.265 296 2HA GLY 42 2HA GLY 42 -0.020 -7.737 -0.666 297 H ASP 43 H ASP 43 -0.885 -5.476 -0.211 298 HA ASP 43 HA ASP 43 1.103 -3.373 -0.549 299 1HB ASP 43 1HB ASP 43 -0.657 -1.959 0.596 300 2HB ASP 43 2HB ASP 43 -1.133 -2.656 -0.950 301 H TYR 44 H TYR 44 2.671 -3.145 0.889 302 HA TYR 44 HA TYR 44 2.082 -3.274 3.725 303 1HB TYR 44 1HB TYR 44 4.188 -5.061 2.490 304 2HB TYR 44 2HB TYR 44 3.901 -4.855 4.215 305 HD1 TYR 44 HD1 TYR 44 2.982 -6.651 1.254 306 HD2 TYR 44 HD2 TYR 44 1.641 -5.569 5.144 307 HE1 TYR 44 HE1 TYR 44 1.342 -8.482 1.191 308 HE2 TYR 44 HE2 TYR 44 -0.002 -7.398 5.093 309 HH TYR 44 HH TYR 44 0.099 -9.900 2.911 310 H ASP 45 H ASP 45 3.153 -1.727 4.771 311 HA ASP 45 HA ASP 45 4.777 0.132 3.461 312 1HB ASP 45 1HB ASP 45 4.699 -0.397 6.437 313 2HB ASP 45 2HB ASP 45 5.181 1.099 5.643 314 H VAL 46 H VAL 46 6.992 0.702 4.807 315 HA VAL 46 HA VAL 46 8.899 -1.098 3.810 316 HB VAL 46 HB VAL 46 9.503 1.203 4.159 317 1HG1 VAL 46 1HG1 VAL 46 9.299 0.774 7.130 318 2HG1 VAL 46 2HG1 VAL 46 9.571 2.287 6.264 319 3HG1 VAL 46 3HG1 VAL 46 8.003 1.484 6.170 320 1HG2 VAL 46 1HG2 VAL 46 11.241 -0.594 4.399 321 2HG2 VAL 46 2HG2 VAL 46 11.641 0.939 5.174 322 3HG2 VAL 46 3HG2 VAL 46 11.079 -0.420 6.147 323 H GLU 47 H GLU 47 7.714 -0.577 7.119 324 HA GLU 47 HA GLU 47 9.369 -2.612 8.251 325 1HB GLU 47 1HB GLU 47 6.930 -1.181 9.316 326 2HB GLU 47 2HB GLU 47 7.892 -2.313 10.257 327 1HG GLU 47 1HG GLU 47 9.815 -0.888 10.116 328 2HG GLU 47 2HG GLU 47 8.977 0.200 9.011 329 H SER 48 H SER 48 5.871 -2.414 7.596 330 HA SER 48 HA SER 48 5.189 -4.994 8.373 331 1HB SER 48 1HB SER 48 3.816 -2.860 7.361 332 2HB SER 48 2HB SER 48 3.738 -3.992 6.011 333 HG SER 48 HG SER 48 2.030 -4.142 7.666 334 H GLY 49 H GLY 49 6.025 -3.821 5.111 335 1HA GLY 49 1HA GLY 49 5.860 -6.320 3.830 336 2HA GLY 49 2HA GLY 49 6.773 -4.935 3.249 337 H LEU 50 H LEU 50 8.639 -4.648 5.275 338 HA LEU 50 HA LEU 50 10.655 -6.375 4.514 339 1HB LEU 50 1HB LEU 50 11.476 -4.528 5.566 340 2HB LEU 50 2HB LEU 50 10.223 -4.542 6.805 341 HG LEU 50 HG LEU 50 11.378 -6.338 7.975 342 1HD1 LEU 50 1HD1 LEU 50 12.597 -6.791 5.508 343 2HD1 LEU 50 2HD1 LEU 50 12.914 -7.628 7.027 344 3HD1 LEU 50 3HD1 LEU 50 13.888 -6.231 6.571 345 1HD2 LEU 50 1HD2 LEU 50 12.469 -3.698 7.505 346 2HD2 LEU 50 2HD2 LEU 50 13.717 -4.851 7.978 347 3HD2 LEU 50 3HD2 LEU 50 12.308 -4.601 9.011 348 H GLN 51 H GLN 51 8.719 -6.526 7.504 349 HA GLN 51 HA GLN 51 9.831 -8.925 8.455 350 1HB GLN 51 1HB GLN 51 7.059 -7.840 8.978 351 2HB GLN 51 2HB GLN 51 7.919 -9.018 9.961 352 1HG GLN 51 1HG GLN 51 9.364 -6.508 9.544 353 2HG GLN 51 2HG GLN 51 7.847 -6.345 10.427 354 1HE2 GLN 51 2HE2 GLN 51 10.811 -8.275 10.332 355 2HE2 GLN 51 1HE2 GLN 51 10.930 -8.496 12.041 356 H GLN 52 H GLN 52 7.454 -8.287 6.034 357 HA GLN 52 HA GLN 52 6.265 -10.895 6.057 358 1HB GLN 52 1HB GLN 52 5.847 -8.395 4.693 359 2HB GLN 52 2HB GLN 52 5.865 -9.714 3.530 360 1HG GLN 52 1HG GLN 52 4.067 -9.394 5.915 361 2HG GLN 52 2HG GLN 52 3.618 -9.376 4.210 362 1HE2 GLN 52 2HE2 GLN 52 4.101 -11.405 3.006 363 2HE2 GLN 52 1HE2 GLN 52 3.831 -12.902 3.826 364 H LEU 53 H LEU 53 9.033 -9.438 4.574 365 HA LEU 53 HA LEU 53 9.357 -11.377 2.498 366 1HB LEU 53 1HB LEU 53 10.869 -9.087 3.568 367 2HB LEU 53 2HB LEU 53 11.839 -10.355 2.821 368 HG LEU 53 HG LEU 53 11.505 -8.951 1.041 369 1HD1 LEU 53 1HD1 LEU 53 10.517 -11.286 0.687 370 2HD1 LEU 53 2HD1 LEU 53 10.101 -10.031 -0.478 371 3HD1 LEU 53 3HD1 LEU 53 8.945 -10.490 0.772 372 1HD2 LEU 53 1HD2 LEU 53 10.148 -7.293 2.079 373 2HD2 LEU 53 2HD2 LEU 53 8.771 -8.391 2.175 374 3HD2 LEU 53 3HD2 LEU 53 9.321 -7.800 0.606 375 H LEU 54 H LEU 54 11.124 -10.785 5.540 376 HA LEU 54 HA LEU 54 12.487 -13.313 5.362 377 1HB LEU 54 1HB LEU 54 13.802 -12.559 7.035 378 2HB LEU 54 2HB LEU 54 13.154 -11.006 6.509 379 HG LEU 54 HG LEU 54 13.012 -10.901 8.824 380 1HD1 LEU 54 1HD1 LEU 54 10.845 -10.392 9.051 381 2HD1 LEU 54 2HD1 LEU 54 10.318 -12.026 8.651 382 3HD1 LEU 54 3HD1 LEU 54 10.710 -10.886 7.364 383 1HD2 LEU 54 1HD2 LEU 54 11.576 -13.331 9.463 384 2HD2 LEU 54 2HD2 LEU 54 13.052 -12.673 10.170 385 3HD2 LEU 54 3HD2 LEU 54 13.137 -13.669 8.716 386 H ASP 55 H ASP 55 9.412 -12.485 6.209 387 HA ASP 55 HA ASP 55 8.777 -13.746 8.553 388 1HB ASP 55 1HB ASP 55 6.972 -12.692 7.549 389 2HB ASP 55 2HB ASP 55 7.302 -13.403 5.972 390 H GLY 56 H GLY 56 9.259 -15.703 9.283 391 1HA GLY 56 1HA GLY 56 8.442 -18.108 8.395 392 2HA GLY 56 2HA GLY 56 9.896 -17.851 7.442 393 H SER 57 H SER 57 10.995 -16.284 9.820 394 HA SER 57 HA SER 57 11.736 -18.627 11.448 395 1HB SER 57 1HB SER 57 13.932 -17.316 11.795 396 2HB SER 57 2HB SER 57 13.688 -18.108 10.238 397 HG SER 57 HG SER 57 13.025 -15.396 10.720 398 H GLY 58 H GLY 58 11.229 -15.127 11.413 399 1HA GLY 58 1HA GLY 58 10.150 -13.896 13.093 400 2HA GLY 58 2HA GLY 58 10.331 -15.265 14.181 401 H LEU 59 H LEU 59 11.722 -12.329 13.017 402 HA LEU 59 HA LEU 59 13.753 -12.501 15.129 403 1HB LEU 59 1HB LEU 59 14.160 -11.794 12.247 404 2HB LEU 59 2HB LEU 59 15.235 -11.164 13.494 405 HG LEU 59 HG LEU 59 15.185 -13.889 13.982 406 1HD1 LEU 59 1HD1 LEU 59 14.042 -13.946 11.659 407 2HD1 LEU 59 2HD1 LEU 59 15.367 -15.060 11.997 408 3HD1 LEU 59 3HD1 LEU 59 15.659 -13.605 11.044 409 1HD2 LEU 59 1HD2 LEU 59 17.252 -13.015 14.219 410 2HD2 LEU 59 2HD2 LEU 59 17.056 -11.901 12.865 411 3HD2 LEU 59 3HD2 LEU 59 17.452 -13.594 12.565 412 H GLN 60 H GLN 60 14.805 -10.226 15.395 413 HA GLN 60 HA GLN 60 12.606 -8.273 15.450 414 1HB GLN 60 1HB GLN 60 13.527 -7.344 17.406 415 2HB GLN 60 2HB GLN 60 13.664 -9.083 17.629 416 1HG GLN 60 1HG GLN 60 16.046 -8.476 16.448 417 2HG GLN 60 2HG GLN 60 15.740 -7.042 17.426 418 1HE2 GLN 60 2HE2 GLN 60 16.569 -10.369 17.421 419 2HE2 GLN 60 1HE2 GLN 60 16.815 -10.541 19.123 420 H VAL 61 H VAL 61 12.923 -6.185 14.740 421 HA VAL 61 HA VAL 61 15.490 -5.635 13.400 422 HB VAL 61 HB VAL 61 12.838 -4.664 12.353 423 1HG1 VAL 61 1HG1 VAL 61 15.065 -5.066 10.513 424 2HG1 VAL 61 2HG1 VAL 61 14.016 -3.665 10.736 425 3HG1 VAL 61 3HG1 VAL 61 15.413 -3.899 11.787 426 1HG2 VAL 61 1HG2 VAL 61 14.000 -7.322 12.177 427 2HG2 VAL 61 2HG2 VAL 61 12.386 -6.764 11.740 428 3HG2 VAL 61 3HG2 VAL 61 13.716 -6.601 10.594 429 H LYS 62 H LYS 62 16.464 -3.912 14.212 430 HA LYS 62 HA LYS 62 14.820 -1.675 15.185 431 1HB LYS 62 1HB LYS 62 16.644 -1.356 16.950 432 2HB LYS 62 2HB LYS 62 15.511 -2.678 17.197 433 1HG LYS 62 1HG LYS 62 17.922 -3.413 15.705 434 2HG LYS 62 2HG LYS 62 18.212 -2.888 17.365 435 1HD LYS 62 1HD LYS 62 16.134 -4.517 17.791 436 2HD LYS 62 2HD LYS 62 16.793 -5.280 16.343 437 1HE LYS 62 1HE LYS 62 17.821 -6.349 18.187 438 2HE LYS 62 2HE LYS 62 19.033 -5.266 17.503 439 1HZ LYS 62 1HZ LYS 62 19.050 -3.991 19.335 440 2HZ LYS 62 2HZ LYS 62 18.426 -5.367 20.095 441 3HZ LYS 62 3HZ LYS 62 17.385 -4.129 19.600 442 HA PRO 63 HA PRO 63 17.387 0.737 12.533 443 1HB PRO 63 1HB PRO 63 16.855 3.182 13.586 444 2HB PRO 63 2HB PRO 63 15.701 2.297 12.581 445 1HG PRO 63 1HG PRO 63 15.827 2.533 15.563 446 2HG PRO 63 2HG PRO 63 14.415 2.615 14.493 447 1HD PRO 63 1HD PRO 63 15.058 0.385 15.887 448 2HD PRO 63 2HD PRO 63 14.274 0.323 14.296 449 H LEU 64 H LEU 64 19.250 2.136 12.580 450 HA LEU 64 HA LEU 64 20.730 1.989 15.124 451 1HB LEU 64 1HB LEU 64 22.138 2.255 12.516 452 2HB LEU 64 2HB LEU 64 22.677 1.498 14.014 453 HG LEU 64 HG LEU 64 20.627 0.319 12.141 454 1HD1 LEU 64 1HD1 LEU 64 22.810 0.429 11.070 455 2HD1 LEU 64 2HD1 LEU 64 22.396 -1.234 11.485 456 3HD1 LEU 64 3HD1 LEU 64 23.550 -0.340 12.474 457 1HD2 LEU 64 1HD2 LEU 64 20.155 -0.925 13.933 458 2HD2 LEU 64 2HD2 LEU 64 21.568 -0.347 14.815 459 3HD2 LEU 64 3HD2 LEU 64 21.726 -1.682 13.673 460 H GLY 65 H GLY 65 20.642 3.848 12.074 461 1HA GLY 65 1HA GLY 65 21.156 6.272 13.687 462 2HA GLY 65 2HA GLY 65 21.890 6.015 12.110 463 H ASN 66 H ASN 66 20.928 6.969 10.450 464 HA ASN 66 HA ASN 66 18.580 8.489 10.731 465 1HB ASN 66 1HB ASN 66 20.287 9.033 9.069 466 2HB ASN 66 2HB ASN 66 19.959 7.528 8.214 467 1HD2 ASN 66 2HD2 ASN 66 18.534 7.576 6.625 468 2HD2 ASN 66 1HD2 ASN 66 17.404 8.848 6.322 469 H ASN 67 H ASN 67 18.850 6.045 8.193 470 HA ASN 67 HA ASN 67 16.275 4.919 9.069 471 1HB ASN 67 1HB ASN 67 16.556 6.499 6.841 472 2HB ASN 67 2HB ASN 67 16.731 4.881 6.168 473 1HD2 ASN 67 2HD2 ASN 67 15.050 3.339 7.442 474 2HD2 ASN 67 1HD2 ASN 67 13.422 3.906 7.326 475 H SER 68 H SER 68 19.030 4.002 9.469 476 HA SER 68 HA SER 68 19.210 1.653 7.745 477 1HB SER 68 1HB SER 68 21.206 1.842 9.862 478 2HB SER 68 2HB SER 68 21.428 1.736 8.116 479 HG SER 68 HG SER 68 21.047 4.028 9.718 480 H TRP 69 H TRP 69 18.292 -0.189 8.326 481 HA TRP 69 HA TRP 69 17.813 -0.683 11.190 482 1HB TRP 69 1HB TRP 69 16.324 -1.777 8.793 483 2HB TRP 69 2HB TRP 69 15.969 -2.155 10.477 484 HD1 TRP 69 HD1 TRP 69 16.393 1.202 8.547 485 HE1 TRP 69 HE1 TRP 69 14.423 2.728 9.192 486 HE3 TRP 69 HE3 TRP 69 13.935 -1.950 11.735 487 HZ2 TRP 69 HZ2 TRP 69 12.130 2.611 10.834 488 HZ3 TRP 69 HZ3 TRP 69 11.861 -1.166 12.802 489 HH2 TRP 69 HH2 TRP 69 10.979 1.068 12.360 490 H THR 70 H THR 70 18.056 -2.846 11.974 491 HA THR 70 HA THR 70 19.665 -4.628 10.285 492 HB THR 70 HB THR 70 21.233 -3.358 11.702 493 HG1 THR 70 HG1 THR 70 22.140 -5.308 12.747 494 1HG2 THR 70 1HG2 THR 70 19.768 -2.887 13.591 495 2HG2 THR 70 2HG2 THR 70 21.225 -3.717 14.138 496 3HG2 THR 70 3HG2 THR 70 19.707 -4.603 13.992 497 H LEU 71 H LEU 71 19.677 -6.847 10.977 498 HA LEU 71 HA LEU 71 17.270 -7.536 12.516 499 1HB LEU 71 1HB LEU 71 18.578 -8.651 10.141 500 2HB LEU 71 2HB LEU 71 18.053 -9.855 11.315 501 HG LEU 71 HG LEU 71 16.416 -9.415 9.495 502 1HD1 LEU 71 1HD1 LEU 71 15.732 -8.969 12.373 503 2HD1 LEU 71 2HD1 LEU 71 15.469 -10.395 11.371 504 3HD1 LEU 71 3HD1 LEU 71 14.478 -8.956 11.133 505 1HD2 LEU 71 1HD2 LEU 71 16.887 -6.987 9.300 506 2HD2 LEU 71 2HD2 LEU 71 16.071 -6.741 10.845 507 3HD2 LEU 71 3HD2 LEU 71 15.170 -7.359 9.460 508 H GLU 72 H GLU 72 17.338 -9.194 14.072 509 HA GLU 72 HA GLU 72 19.914 -10.307 14.820 510 1HB GLU 72 1HB GLU 72 18.441 -8.274 16.446 511 2HB GLU 72 2HB GLU 72 19.325 -9.549 17.271 512 1HG GLU 72 1HG GLU 72 20.484 -7.590 15.302 513 2HG GLU 72 2HG GLU 72 20.662 -7.530 17.054 514 HA PRO 73 HA PRO 73 17.512 -13.758 16.072 515 1HB PRO 73 1HB PRO 73 18.968 -14.733 18.145 516 2HB PRO 73 2HB PRO 73 19.490 -14.860 16.461 517 1HG PRO 73 1HG PRO 73 20.324 -12.894 18.560 518 2HG PRO 73 2HG PRO 73 21.321 -13.752 17.371 519 1HD PRO 73 1HD PRO 73 20.547 -11.178 17.038 520 2HD PRO 73 2HD PRO 73 20.776 -12.291 15.673 521 H ALA 74 H ALA 74 15.612 -13.703 17.081 522 HA ALA 74 HA ALA 74 15.471 -12.491 19.764 523 1HB ALA 74 1HB ALA 74 12.907 -12.743 18.459 524 2HB ALA 74 2HB ALA 74 13.696 -11.314 19.128 525 3HB ALA 74 3HB ALA 74 14.043 -11.820 17.474 526 HA PRO 75 HA PRO 75 14.023 -16.251 21.501 527 1HB PRO 75 1HB PRO 75 12.124 -15.397 23.243 528 2HB PRO 75 2HB PRO 75 13.854 -15.148 23.509 529 1HG PRO 75 1HG PRO 75 11.809 -13.242 22.439 530 2HG PRO 75 2HG PRO 75 13.108 -12.948 23.610 531 1HD PRO 75 1HD PRO 75 13.310 -12.246 21.002 532 2HD PRO 75 2HD PRO 75 14.713 -12.748 21.968 533 H ALA 76 H ALA 76 12.337 -17.780 21.501 534 HA ALA 76 HA ALA 76 10.290 -17.271 19.492 535 1HB ALA 76 1HB ALA 76 11.559 -19.677 20.656 536 2HB ALA 76 2HB ALA 76 9.888 -19.837 20.113 537 3HB ALA 76 3HB ALA 76 11.136 -19.311 18.983 538 HA PRO 77 HA PRO 77 6.867 -16.900 22.211 539 1HB PRO 77 1HB PRO 77 4.940 -18.314 20.924 540 2HB PRO 77 2HB PRO 77 5.527 -16.748 20.351 541 1HG PRO 77 1HG PRO 77 6.268 -19.499 19.432 542 2HG PRO 77 2HG PRO 77 5.938 -18.049 18.467 543 1HD PRO 77 1HD PRO 77 8.451 -18.901 19.005 544 2HD PRO 77 2HD PRO 77 8.045 -17.183 18.820 545 H LYS 78 H LYS 78 5.277 -18.105 23.529 546 HA LYS 78 HA LYS 78 6.429 -20.141 25.011 547 1HB LYS 78 1HB LYS 78 4.521 -18.710 25.737 548 2HB LYS 78 2HB LYS 78 3.466 -19.639 24.680 549 1HG LYS 78 1HG LYS 78 3.164 -20.500 26.852 550 2HG LYS 78 2HG LYS 78 4.146 -21.683 25.984 551 1HD LYS 78 1HD LYS 78 6.148 -20.377 27.008 552 2HD LYS 78 2HD LYS 78 4.943 -19.778 28.151 553 1HE LYS 78 1HE LYS 78 4.348 -22.115 28.688 554 2HE LYS 78 2HE LYS 78 5.626 -22.666 27.607 555 1HZ LYS 78 1HZ LYS 78 5.926 -21.140 30.130 556 2HZ LYS 78 2HZ LYS 78 7.190 -21.348 29.026 557 3HZ LYS 78 3HZ LYS 78 6.501 -22.694 29.785 558 H GLU 79 H GLU 79 7.128 -21.976 24.075 559 HA GLU 79 HA GLU 79 5.839 -23.288 21.930 560 1HB GLU 79 1HB GLU 79 8.288 -23.471 22.727 561 2HB GLU 79 2HB GLU 79 7.681 -24.664 23.867 562 1HG GLU 79 1HG GLU 79 8.613 -25.647 21.803 563 2HG GLU 79 2HG GLU 79 6.927 -26.076 22.090 564 H ASP 80 H ASP 80 4.511 -25.069 21.862 565 HA ASP 80 HA ASP 80 3.748 -26.504 24.222 566 1HB ASP 80 1HB ASP 80 1.430 -25.839 24.319 567 2HB ASP 80 2HB ASP 80 2.432 -24.397 24.458 568 H ALA 81 H ALA 81 2.494 -28.350 23.769 569 HA ALA 81 HA ALA 81 2.946 -29.554 21.290 570 1HB ALA 81 1HB ALA 81 2.361 -30.598 23.587 571 2HB ALA 81 2HB ALA 81 0.689 -30.423 23.050 572 3HB ALA 81 3HB ALA 81 1.819 -31.401 22.113 573 H LEU 82 H LEU 82 1.873 -29.584 19.408 574 HA LEU 82 HA LEU 82 -0.075 -27.687 18.789 575 1HB LEU 82 1HB LEU 82 1.049 -30.080 17.448 576 2HB LEU 82 2HB LEU 82 -0.464 -29.435 16.814 577 HG LEU 82 HG LEU 82 1.508 -28.611 15.597 578 1HD1 LEU 82 1HD1 LEU 82 0.923 -26.239 15.663 579 2HD1 LEU 82 2HD1 LEU 82 0.043 -26.496 17.169 580 3HD1 LEU 82 3HD1 LEU 82 -0.516 -27.260 15.681 581 1HD2 LEU 82 1HD2 LEU 82 2.228 -27.356 18.244 582 2HD2 LEU 82 2HD2 LEU 82 3.004 -26.996 16.702 583 3HD2 LEU 82 3HD2 LEU 82 3.130 -28.613 17.396 584 H THR 83 H THR 83 -2.145 -27.591 19.319 585 HA THR 83 HA THR 83 -3.539 -29.615 20.658 586 HB THR 83 HB THR 83 -4.205 -27.281 20.850 587 HG1 THR 83 HG1 THR 83 -6.270 -27.811 21.066 588 1HG2 THR 83 1HG2 THR 83 -4.582 -27.550 17.910 589 2HG2 THR 83 2HG2 THR 83 -3.951 -26.197 18.850 590 3HG2 THR 83 3HG2 THR 83 -5.687 -26.499 18.794 591 H VAL 84 H VAL 84 -5.432 -30.802 19.978 592 HA VAL 84 HA VAL 84 -5.037 -32.254 17.602 593 HB VAL 84 HB VAL 84 -7.603 -32.065 19.183 594 1HG1 VAL 84 1HG1 VAL 84 -7.705 -33.148 16.935 595 2HG1 VAL 84 2HG1 VAL 84 -6.537 -34.337 17.515 596 3HG1 VAL 84 3HG1 VAL 84 -8.124 -34.214 18.275 597 1HG2 VAL 84 1HG2 VAL 84 -5.020 -33.129 19.912 598 2HG2 VAL 84 2HG2 VAL 84 -6.478 -32.951 20.888 599 3HG2 VAL 84 3HG2 VAL 84 -6.251 -34.392 19.898 600 H VAL 85 H VAL 85 -5.662 -31.913 15.568 601 HA VAL 85 HA VAL 85 -6.748 -29.484 14.708 602 HB VAL 85 HB VAL 85 -6.996 -30.530 12.508 603 1HG1 VAL 85 1HG1 VAL 85 -4.696 -29.993 13.757 604 2HG1 VAL 85 2HG1 VAL 85 -4.450 -31.712 13.443 605 3HG1 VAL 85 3HG1 VAL 85 -4.767 -30.606 12.106 606 1HG2 VAL 85 1HG2 VAL 85 -7.273 -32.904 14.056 607 2HG2 VAL 85 2HG2 VAL 85 -7.494 -32.686 12.320 608 3HG2 VAL 85 3HG2 VAL 85 -5.904 -33.101 12.962 609 H GLY 86 H GLY 86 -8.779 -29.004 13.726 610 1HA GLY 86 1HA GLY 86 -10.975 -30.805 14.531 611 2HA GLY 86 2HA GLY 86 -11.052 -29.080 14.859 612 H ASP 87 H ASP 87 -13.113 -29.982 13.516 613 HA ASP 87 HA ASP 87 -12.650 -28.993 10.792 614 1HB ASP 87 1HB ASP 87 -13.962 -30.728 9.797 615 2HB ASP 87 2HB ASP 87 -12.759 -31.512 10.819 616 H TRP 88 H TRP 88 -14.643 -28.271 9.719 617 HA TRP 88 HA TRP 88 -16.594 -27.268 11.687 618 1HB TRP 88 1HB TRP 88 -15.102 -25.590 10.465 619 2HB TRP 88 2HB TRP 88 -16.012 -26.000 9.013 620 HD1 TRP 88 HD1 TRP 88 -18.165 -24.657 8.609 621 HE1 TRP 88 HE1 TRP 88 -19.598 -23.031 9.998 622 HE3 TRP 88 HE3 TRP 88 -15.832 -25.179 13.127 623 HZ2 TRP 88 HZ2 TRP 88 -19.722 -22.094 12.658 624 HZ3 TRP 88 HZ3 TRP 88 -16.669 -23.882 15.044 625 HH2 TRP 88 HH2 TRP 88 -18.573 -22.372 14.812 626 H LEU 89 H LEU 89 -18.801 -27.016 10.950 627 HA LEU 89 HA LEU 89 -19.589 -28.419 8.538 628 1HB LEU 89 1HB LEU 89 -20.973 -30.033 9.598 629 2HB LEU 89 2HB LEU 89 -19.360 -30.169 10.293 630 HG LEU 89 HG LEU 89 -21.495 -28.585 11.677 631 1HD1 LEU 89 1HD1 LEU 89 -21.872 -31.225 11.048 632 2HD1 LEU 89 2HD1 LEU 89 -22.602 -30.379 12.412 633 3HD1 LEU 89 3HD1 LEU 89 -21.123 -31.311 12.643 634 1HD2 LEU 89 1HD2 LEU 89 -18.780 -29.421 12.207 635 2HD2 LEU 89 2HD2 LEU 89 -19.881 -29.958 13.477 636 3HD2 LEU 89 3HD2 LEU 89 -19.785 -28.247 13.058 637 H GLY 90 H GLY 90 -21.582 -27.798 7.769 638 1HA GLY 90 1HA GLY 90 -23.118 -25.921 9.450 639 2HA GLY 90 2HA GLY 90 -22.704 -25.512 7.792 640 H ASP 91 H ASP 91 -25.064 -26.767 9.757 641 HA ASP 91 HA ASP 91 -26.350 -28.160 7.500 642 1HB ASP 91 1HB ASP 91 -26.674 -28.606 10.473 643 2HB ASP 91 2HB ASP 91 -27.685 -29.362 9.246 644 H ALA 92 H ALA 92 -26.598 -25.513 7.402 645 HA ALA 92 HA ALA 92 -29.336 -25.021 8.376 646 1HB ALA 92 1HB ALA 92 -27.006 -23.122 8.271 647 2HB ALA 92 2HB ALA 92 -28.678 -22.578 8.422 648 3HB ALA 92 3HB ALA 92 -27.967 -23.599 9.672 649 H ARG 93 H ARG 93 -30.286 -25.669 6.441 650 HA ARG 93 HA ARG 93 -30.074 -23.712 4.288 651 1HB ARG 93 1HB ARG 93 -30.092 -25.618 2.608 652 2HB ARG 93 2HB ARG 93 -28.575 -25.337 3.451 653 1HG ARG 93 1HG ARG 93 -29.138 -27.177 5.000 654 2HG ARG 93 2HG ARG 93 -30.591 -27.490 4.048 655 1HD ARG 93 1HD ARG 93 -29.387 -28.261 2.227 656 2HD ARG 93 2HD ARG 93 -27.918 -27.416 2.713 657 HE ARG 93 HE ARG 93 -28.723 -29.485 4.540 658 1HH1 ARG 93 2HH1 ARG 93 -26.944 -28.757 1.638 659 2HH1 ARG 93 1HH1 ARG 93 -25.903 -30.135 1.774 660 1HH2 ARG 93 2HH2 ARG 93 -27.359 -31.302 4.731 661 2HH2 ARG 93 1HH2 ARG 93 -26.140 -31.583 3.534 662 H GLU 94 H GLU 94 -31.919 -23.609 2.939 663 HA GLU 94 HA GLU 94 -34.235 -25.183 3.833 664 1HB GLU 94 1HB GLU 94 -34.132 -22.820 4.818 665 2HB GLU 94 2HB GLU 94 -34.438 -22.249 3.183 666 1HG GLU 94 1HG GLU 94 -36.470 -23.850 3.269 667 2HG GLU 94 2HG GLU 94 -36.229 -23.783 5.014 668 H ASN 95 H ASN 95 -33.567 -26.356 1.844 669 HA ASN 95 HA ASN 95 -34.969 -25.225 -0.461 670 1HB ASN 95 1HB ASN 95 -33.054 -26.296 -1.879 671 2HB ASN 95 2HB ASN 95 -32.819 -24.699 -1.174 672 1HD2 ASN 95 2HD2 ASN 95 -30.773 -24.538 -0.611 673 2HD2 ASN 95 1HD2 ASN 95 -29.868 -25.715 0.273 674 H ASP 96 H ASP 96 -34.860 -27.086 -2.282 675 HA ASP 96 HA ASP 96 -36.536 -29.118 -1.440 676 1HB ASP 96 1HB ASP 96 -35.826 -30.285 -3.583 677 2HB ASP 96 2HB ASP 96 -36.433 -28.642 -3.765 678 H LEU 97 H LEU 97 -36.258 -31.315 -0.990 679 HA LEU 97 HA LEU 97 -33.521 -32.087 -0.215 680 1HB LEU 97 1HB LEU 97 -34.839 -31.718 1.759 681 2HB LEU 97 2HB LEU 97 -36.142 -32.722 1.128 682 HG LEU 97 HG LEU 97 -34.590 -34.680 1.266 683 1HD1 LEU 97 1HD1 LEU 97 -32.663 -32.708 1.660 684 2HD1 LEU 97 2HD1 LEU 97 -32.446 -34.453 1.791 685 3HD1 LEU 97 3HD1 LEU 97 -32.835 -33.504 3.225 686 1HD2 LEU 97 1HD2 LEU 97 -35.249 -33.164 3.785 687 2HD2 LEU 97 2HD2 LEU 97 -34.726 -34.848 3.749 688 3HD2 LEU 97 3HD2 LEU 97 -36.239 -34.377 2.974 689 H GLU 98 H GLU 98 -32.820 -34.121 -0.736 690 HA GLU 98 HA GLU 98 -34.676 -36.021 -1.927 691 1HB GLU 98 1HB GLU 98 -33.832 -34.532 -3.772 692 2HB GLU 98 2HB GLU 98 -32.214 -35.129 -3.431 693 1HG GLU 98 1HG GLU 98 -32.884 -36.448 -5.197 694 2HG GLU 98 2HG GLU 98 -33.239 -37.463 -3.800 695 H HIS 99 H HIS 99 -34.013 -38.138 -1.777 696 HA HIS 99 HA HIS 99 -31.357 -38.636 -0.620 697 1HB HIS 99 1HB HIS 99 -32.262 -40.177 0.990 698 2HB HIS 99 2HB HIS 99 -33.124 -38.649 1.154 699 HD1 HIS 99 HD1 HIS 99 -35.612 -38.606 0.393 700 HD2 HIS 99 HD2 HIS 99 -33.809 -42.343 0.176 701 HE1 HIS 99 HE1 HIS 99 -37.495 -40.245 0.094 702 H HIS 100 H HIS 100 -30.771 -40.998 -0.724 703 HA HIS 100 HA HIS 100 -32.104 -42.579 -2.737 704 1HB HIS 100 1HB HIS 100 -29.513 -41.180 -3.270 705 2HB HIS 100 2HB HIS 100 -29.778 -42.780 -3.957 706 HD1 HIS 100 HD1 HIS 100 -30.303 -39.300 -4.665 707 HD2 HIS 100 HD2 HIS 100 -32.301 -42.833 -5.554 708 HE1 HIS 100 HE1 HIS 100 -31.802 -38.754 -6.609 709 H HIS 101 H HIS 101 -32.147 -44.513 -1.816 710 HA HIS 101 HA HIS 101 -30.532 -45.361 0.290 711 1HB HIS 101 1HB HIS 101 -32.233 -46.862 -1.690 712 2HB HIS 101 2HB HIS 101 -31.339 -47.699 -0.424 713 HD1 HIS 101 HD1 HIS 101 -34.584 -46.563 -1.036 714 HD2 HIS 101 HD2 HIS 101 -32.036 -46.257 2.231 715 HE1 HIS 101 HE1 HIS 101 -36.073 -46.098 0.937 716 H HIS 102 H HIS 102 -28.482 -45.976 0.371 717 HA HIS 102 HA HIS 102 -27.177 -46.845 -2.121 718 1HB HIS 102 1HB HIS 102 -26.405 -44.738 -0.780 719 2HB HIS 102 2HB HIS 102 -25.660 -45.917 0.294 720 HD1 HIS 102 HD1 HIS 102 -23.242 -45.843 -0.236 721 HD2 HIS 102 HD2 HIS 102 -25.584 -45.863 -3.668 722 HE1 HIS 102 HE1 HIS 102 -21.622 -45.982 -2.154 723 H HIS 103 H HIS 103 -25.409 -48.433 -1.861 724 HA HIS 103 HA HIS 103 -25.924 -50.303 0.356 725 1HB HIS 103 1HB HIS 103 -25.270 -51.097 -2.487 726 2HB HIS 103 2HB HIS 103 -25.661 -52.176 -1.152 727 HD1 HIS 103 HD1 HIS 103 -27.226 -51.821 -3.950 728 HD2 HIS 103 HD2 HIS 103 -28.387 -50.414 -0.218 729 HE1 HIS 103 HE1 HIS 103 -29.722 -51.541 -4.084 730 H HIS 104 H HIS 104 -24.085 -51.950 0.542 731 HA HIS 104 HA HIS 104 -21.641 -50.478 0.859 732 1HB HIS 104 1HB HIS 104 -22.590 -53.223 1.553 733 2HB HIS 104 2HB HIS 104 -20.855 -52.925 1.507 734 HD1 HIS 104 HD1 HIS 104 -22.442 -53.589 4.128 735 HD2 HIS 104 HD2 HIS 104 -21.374 -49.780 2.860 736 HE1 HIS 104 HE1 HIS 104 -22.408 -52.174 6.206 Start of MODEL 19 1 1H ALA 1 H ALA 1 1.138 -0.118 -0.080 2 HA ALA 1 HA ALA 1 2.096 0.774 -2.723 3 1HB ALA 1 1HB ALA 1 3.386 0.916 -0.154 4 2HB ALA 1 2HB ALA 1 4.330 -0.069 -1.272 5 3HB ALA 1 3HB ALA 1 3.896 1.584 -1.705 6 H GLN 2 H GLN 2 1.150 -1.024 -3.751 7 HA GLN 2 HA GLN 2 1.481 -3.695 -2.952 8 1HB GLN 2 1HB GLN 2 0.124 -2.389 -4.966 9 2HB GLN 2 2HB GLN 2 1.342 -3.301 -5.847 10 1HG GLN 2 1HG GLN 2 0.294 -5.075 -3.958 11 2HG GLN 2 2HG GLN 2 -1.089 -4.207 -4.623 12 1HE2 GLN 2 2HE2 GLN 2 1.563 -6.344 -5.316 13 2HE2 GLN 2 1HE2 GLN 2 1.009 -6.856 -6.871 14 H VAL 3 H VAL 3 3.199 -4.977 -2.964 15 HA VAL 3 HA VAL 3 5.344 -4.479 -4.907 16 HB VAL 3 HB VAL 3 5.774 -4.978 -1.958 17 1HG1 VAL 3 1HG1 VAL 3 7.668 -4.888 -4.287 18 2HG1 VAL 3 2HG1 VAL 3 8.203 -4.577 -2.635 19 3HG1 VAL 3 3HG1 VAL 3 7.494 -6.137 -3.055 20 1HG2 VAL 3 1HG2 VAL 3 5.508 -2.748 -1.880 21 2HG2 VAL 3 2HG2 VAL 3 7.127 -2.702 -2.578 22 3HG2 VAL 3 3HG2 VAL 3 5.713 -2.561 -3.622 23 H ASN 4 H ASN 4 5.782 -6.259 -6.016 24 HA ASN 4 HA ASN 4 5.247 -8.869 -4.754 25 1HB ASN 4 1HB ASN 4 5.071 -9.581 -7.281 26 2HB ASN 4 2HB ASN 4 3.696 -8.840 -6.468 27 1HD2 ASN 4 2HD2 ASN 4 6.109 -8.498 -8.895 28 2HD2 ASN 4 1HD2 ASN 4 5.534 -7.013 -9.565 29 H ILE 5 H ILE 5 7.108 -9.793 -4.210 30 HA ILE 5 HA ILE 5 9.358 -9.621 -6.107 31 HB ILE 5 HB ILE 5 9.532 -9.849 -3.100 32 1HG1 ILE 5 1HG1 ILE 5 10.440 -7.544 -4.821 33 2HG1 ILE 5 2HG1 ILE 5 8.833 -7.605 -4.106 34 1HG2 ILE 5 1HG2 ILE 5 11.360 -11.022 -4.062 35 2HG2 ILE 5 2HG2 ILE 5 11.641 -9.745 -5.244 36 3HG2 ILE 5 3HG2 ILE 5 11.975 -9.455 -3.537 37 1HD1 ILE 5 1HD1 ILE 5 11.237 -7.945 -2.377 38 2HD1 ILE 5 2HD1 ILE 5 10.739 -6.336 -2.900 39 3HD1 ILE 5 3HD1 ILE 5 9.632 -7.342 -1.966 40 H ALA 6 H ALA 6 10.331 -11.481 -6.710 41 HA ALA 6 HA ALA 6 9.061 -13.967 -5.903 42 1HB ALA 6 1HB ALA 6 10.182 -14.972 -7.759 43 2HB ALA 6 2HB ALA 6 9.519 -13.427 -8.296 44 3HB ALA 6 3HB ALA 6 11.241 -13.573 -7.944 45 HA PRO 7 HA PRO 7 12.217 -14.958 -2.963 46 1HB PRO 7 1HB PRO 7 11.567 -17.572 -2.629 47 2HB PRO 7 2HB PRO 7 10.622 -16.251 -1.932 48 1HG PRO 7 1HG PRO 7 10.112 -17.837 -4.419 49 2HG PRO 7 2HG PRO 7 8.969 -17.325 -3.164 50 1HD PRO 7 1HD PRO 7 9.209 -16.032 -5.531 51 2HD PRO 7 2HD PRO 7 8.784 -15.195 -4.025 52 H GLY 8 H GLY 8 13.470 -17.359 -2.711 53 1HA GLY 8 1HA GLY 8 14.753 -18.979 -3.923 54 2HA GLY 8 2HA GLY 8 14.651 -17.945 -5.341 55 H SER 9 H SER 9 15.275 -16.120 -2.599 56 HA SER 9 HA SER 9 18.008 -16.474 -2.170 57 1HB SER 9 1HB SER 9 17.324 -14.941 -4.592 58 2HB SER 9 2HB SER 9 18.474 -14.145 -3.518 59 HG SER 9 HG SER 9 19.933 -15.582 -4.021 60 H LEU 10 H LEU 10 18.003 -15.749 -0.150 61 HA LEU 10 HA LEU 10 16.255 -13.833 0.901 62 1HB LEU 10 1HB LEU 10 17.574 -15.569 2.160 63 2HB LEU 10 2HB LEU 10 18.976 -14.513 1.995 64 HG LEU 10 HG LEU 10 16.525 -13.374 3.231 65 1HD1 LEU 10 1HD1 LEU 10 17.504 -15.807 4.148 66 2HD1 LEU 10 2HD1 LEU 10 16.473 -14.678 5.028 67 3HD1 LEU 10 3HD1 LEU 10 18.225 -14.602 5.216 68 1HD2 LEU 10 1HD2 LEU 10 18.906 -12.325 2.750 69 2HD2 LEU 10 2HD2 LEU 10 19.285 -13.089 4.293 70 3HD2 LEU 10 3HD2 LEU 10 17.981 -11.905 4.191 71 H ASP 11 H ASP 11 19.574 -13.534 -0.286 72 HA ASP 11 HA ASP 11 19.958 -10.839 0.442 73 1HB ASP 11 1HB ASP 11 21.934 -10.929 -0.784 74 2HB ASP 11 2HB ASP 11 21.672 -12.621 -0.372 75 H LYS 12 H LYS 12 18.600 -12.355 -2.432 76 HA LYS 12 HA LYS 12 18.393 -9.953 -3.949 77 1HB LYS 12 1HB LYS 12 17.185 -12.695 -4.191 78 2HB LYS 12 2HB LYS 12 16.682 -11.391 -5.258 79 1HG LYS 12 1HG LYS 12 19.468 -11.343 -5.319 80 2HG LYS 12 2HG LYS 12 19.029 -13.052 -5.369 81 1HD LYS 12 1HD LYS 12 19.055 -12.411 -7.615 82 2HD LYS 12 2HD LYS 12 17.345 -12.361 -7.181 83 1HE LYS 12 1HE LYS 12 17.338 -10.012 -7.057 84 2HE LYS 12 2HE LYS 12 19.099 -9.927 -7.022 85 1HZ LYS 12 1HZ LYS 12 18.250 -11.233 -9.375 86 2HZ LYS 12 2HZ LYS 12 19.136 -9.800 -9.218 87 3HZ LYS 12 3HZ LYS 12 17.445 -9.751 -9.239 88 H ALA 13 H ALA 13 15.922 -11.929 -2.297 89 HA ALA 13 HA ALA 13 13.741 -10.283 -2.678 90 1HB ALA 13 1HB ALA 13 14.360 -11.971 -0.257 91 2HB ALA 13 2HB ALA 13 12.772 -11.333 -0.687 92 3HB ALA 13 3HB ALA 13 13.560 -12.515 -1.732 93 H LEU 14 H LEU 14 16.385 -9.947 -0.416 94 HA LEU 14 HA LEU 14 15.182 -8.003 1.262 95 1HB LEU 14 1HB LEU 14 16.993 -8.971 2.267 96 2HB LEU 14 2HB LEU 14 17.936 -9.006 0.779 97 HG LEU 14 HG LEU 14 18.355 -6.594 1.006 98 1HD1 LEU 14 1HD1 LEU 14 16.464 -5.798 2.166 99 2HD1 LEU 14 2HD1 LEU 14 17.828 -5.580 3.262 100 3HD1 LEU 14 3HD1 LEU 14 16.712 -6.925 3.501 101 1HD2 LEU 14 1HD2 LEU 14 19.811 -6.743 3.023 102 2HD2 LEU 14 2HD2 LEU 14 20.008 -8.082 1.891 103 3HD2 LEU 14 3HD2 LEU 14 19.081 -8.309 3.375 104 H ASN 15 H ASN 15 17.563 -7.691 -1.374 105 HA ASN 15 HA ASN 15 17.625 -4.883 -1.389 106 1HB ASN 15 1HB ASN 15 18.090 -6.635 -3.803 107 2HB ASN 15 2HB ASN 15 18.795 -5.058 -3.461 108 1HD2 ASN 15 2HD2 ASN 15 19.965 -7.753 -3.990 109 2HD2 ASN 15 1HD2 ASN 15 21.056 -8.024 -2.678 110 H GLN 16 H GLN 16 15.481 -7.188 -2.917 111 HA GLN 16 HA GLN 16 14.276 -5.531 -4.814 112 1HB GLN 16 1HB GLN 16 13.036 -7.793 -3.238 113 2HB GLN 16 2HB GLN 16 12.372 -7.093 -4.709 114 1HG GLN 16 1HG GLN 16 15.139 -8.008 -4.957 115 2HG GLN 16 2HG GLN 16 13.977 -9.283 -4.596 116 1HE2 GLN 16 2HE2 GLN 16 14.938 -9.802 -6.834 117 2HE2 GLN 16 1HE2 GLN 16 14.012 -9.249 -8.183 118 H TYR 17 H TYR 17 13.128 -6.310 -1.527 119 HA TYR 17 HA TYR 17 11.082 -4.314 -1.608 120 1HB TYR 17 1HB TYR 17 10.389 -5.161 0.404 121 2HB TYR 17 2HB TYR 17 11.335 -6.533 -0.160 122 HD1 TYR 17 HD1 TYR 17 13.354 -7.183 0.947 123 HD2 TYR 17 HD2 TYR 17 11.307 -3.646 2.130 124 HE1 TYR 17 HE1 TYR 17 14.743 -7.065 2.974 125 HE2 TYR 17 HE2 TYR 17 12.690 -3.517 4.160 126 HH TYR 17 HH TYR 17 14.948 -6.079 5.010 127 H ALA 18 H ALA 18 14.360 -4.490 -0.378 128 HA ALA 18 HA ALA 18 14.384 -2.239 1.268 129 1HB ALA 18 1HB ALA 18 16.644 -3.269 -0.443 130 2HB ALA 18 2HB ALA 18 16.791 -2.229 0.975 131 3HB ALA 18 3HB ALA 18 16.208 -3.884 1.151 132 H ALA 19 H ALA 19 14.937 -2.517 -2.222 133 HA ALA 19 HA ALA 19 15.462 0.284 -2.555 134 1HB ALA 19 1HB ALA 19 14.666 -1.484 -4.824 135 2HB ALA 19 2HB ALA 19 15.858 -0.184 -4.774 136 3HB ALA 19 3HB ALA 19 16.217 -1.738 -4.022 137 H HIS 20 H HIS 20 12.653 -1.724 -2.504 138 HA HIS 20 HA HIS 20 10.946 0.040 -3.974 139 1HB HIS 20 1HB HIS 20 10.565 -2.420 -2.325 140 2HB HIS 20 2HB HIS 20 9.160 -1.413 -2.665 141 HD1 HIS 20 HD1 HIS 20 9.767 -0.655 -5.585 142 HD2 HIS 20 HD2 HIS 20 10.150 -4.493 -4.040 143 HE1 HIS 20 HE1 HIS 20 9.587 -2.197 -7.563 144 H SER 21 H SER 21 11.985 -0.221 -0.679 145 HA SER 21 HA SER 21 9.890 1.542 0.300 146 1HB SER 21 1HB SER 21 12.231 0.210 1.675 147 2HB SER 21 2HB SER 21 11.089 1.274 2.496 148 HG SER 21 HG SER 21 10.482 -1.162 1.168 149 H GLY 22 H GLY 22 13.461 1.577 0.424 150 1HA GLY 22 1HA GLY 22 14.621 3.526 -0.522 151 2HA GLY 22 2HA GLY 22 13.318 4.513 0.123 152 H PHE 23 H PHE 23 14.613 1.882 1.985 153 HA PHE 23 HA PHE 23 16.020 3.824 3.696 154 1HB PHE 23 1HB PHE 23 15.184 2.832 5.639 155 2HB PHE 23 2HB PHE 23 13.794 2.814 4.558 156 HD1 PHE 23 HD1 PHE 23 15.670 0.915 6.795 157 HD2 PHE 23 HD2 PHE 23 13.616 0.617 3.079 158 HE1 PHE 23 HE1 PHE 23 15.466 -1.517 7.107 159 HE2 PHE 23 HE2 PHE 23 13.408 -1.816 3.386 160 HZ PHE 23 HZ PHE 23 14.333 -2.885 5.402 161 H THR 24 H THR 24 17.578 2.656 5.234 162 HA THR 24 HA THR 24 19.156 0.780 3.620 163 HB THR 24 HB THR 24 20.049 2.365 6.035 164 HG1 THR 24 HG1 THR 24 20.164 2.912 3.252 165 1HG2 THR 24 1HG2 THR 24 21.622 0.705 5.892 166 2HG2 THR 24 2HG2 THR 24 22.303 1.853 4.739 167 3HG2 THR 24 3HG2 THR 24 21.374 0.470 4.162 168 H LEU 25 H LEU 25 20.047 -1.100 4.534 169 HA LEU 25 HA LEU 25 19.043 -1.905 7.165 170 1HB LEU 25 1HB LEU 25 17.546 -2.716 5.276 171 2HB LEU 25 2HB LEU 25 18.894 -3.744 4.792 172 HG LEU 25 HG LEU 25 18.554 -4.325 7.477 173 1HD1 LEU 25 1HD1 LEU 25 16.473 -3.207 7.672 174 2HD1 LEU 25 2HD1 LEU 25 16.116 -4.930 7.554 175 3HD1 LEU 25 3HD1 LEU 25 15.889 -3.885 6.152 176 1HD2 LEU 25 1HD2 LEU 25 18.947 -5.755 5.352 177 2HD2 LEU 25 2HD2 LEU 25 17.189 -5.895 5.327 178 3HD2 LEU 25 3HD2 LEU 25 18.100 -6.467 6.726 179 H SER 26 H SER 26 20.418 -3.176 8.318 180 HA SER 26 HA SER 26 22.872 -4.081 6.963 181 1HB SER 26 1HB SER 26 22.834 -2.002 8.713 182 2HB SER 26 2HB SER 26 23.117 -3.348 9.816 183 HG SER 26 HG SER 26 25.089 -3.392 9.127 184 H VAL 27 H VAL 27 22.560 -6.230 6.867 185 HA VAL 27 HA VAL 27 22.114 -7.635 9.413 186 HB VAL 27 HB VAL 27 20.015 -7.834 8.322 187 1HG1 VAL 27 1HG1 VAL 27 21.668 -8.214 5.873 188 2HG1 VAL 27 2HG1 VAL 27 20.064 -8.946 5.943 189 3HG1 VAL 27 3HG1 VAL 27 20.248 -7.201 6.129 190 1HG2 VAL 27 1HG2 VAL 27 21.525 -10.355 7.651 191 2HG2 VAL 27 2HG2 VAL 27 21.001 -9.916 9.277 192 3HG2 VAL 27 3HG2 VAL 27 19.805 -10.202 8.012 193 H ASP 28 H ASP 28 23.353 -9.417 9.755 194 HA ASP 28 HA ASP 28 25.782 -9.728 8.495 195 1HB ASP 28 1HB ASP 28 24.152 -11.785 9.997 196 2HB ASP 28 2HB ASP 28 25.842 -12.000 9.548 197 H ALA 29 H ALA 29 25.959 -9.976 6.346 198 HA ALA 29 HA ALA 29 24.162 -11.566 4.794 199 1HB ALA 29 1HB ALA 29 26.794 -10.264 4.121 200 2HB ALA 29 2HB ALA 29 25.789 -11.118 2.949 201 3HB ALA 29 3HB ALA 29 25.173 -9.674 3.751 202 H SER 30 H SER 30 26.691 -12.376 6.810 203 HA SER 30 HA SER 30 28.140 -14.327 5.507 204 1HB SER 30 1HB SER 30 27.197 -14.258 8.381 205 2HB SER 30 2HB SER 30 28.404 -15.387 7.766 206 HG SER 30 HG SER 30 29.831 -13.859 7.885 207 H LEU 31 H LEU 31 25.063 -14.719 7.248 208 HA LEU 31 HA LEU 31 24.824 -17.470 6.382 209 1HB LEU 31 1HB LEU 31 22.617 -15.919 7.669 210 2HB LEU 31 2HB LEU 31 22.997 -17.635 7.799 211 HG LEU 31 HG LEU 31 25.184 -16.554 8.968 212 1HD1 LEU 31 1HD1 LEU 31 23.782 -14.315 8.655 213 2HD1 LEU 31 2HD1 LEU 31 24.814 -14.599 10.056 214 3HD1 LEU 31 3HD1 LEU 31 23.075 -14.863 10.175 215 1HD2 LEU 31 1HD2 LEU 31 23.811 -18.349 9.866 216 2HD2 LEU 31 2HD2 LEU 31 22.549 -17.193 10.290 217 3HD2 LEU 31 3HD2 LEU 31 24.115 -17.124 11.098 218 H THR 32 H THR 32 23.526 -14.335 5.528 219 HA THR 32 HA THR 32 21.326 -15.068 4.003 220 HB THR 32 HB THR 32 23.243 -12.781 3.516 221 HG1 THR 32 HG1 THR 32 22.339 -12.234 5.375 222 1HG2 THR 32 1HG2 THR 32 22.093 -12.646 1.571 223 2HG2 THR 32 2HG2 THR 32 20.855 -11.919 2.594 224 3HG2 THR 32 3HG2 THR 32 20.758 -13.628 2.170 225 H ARG 33 H ARG 33 24.704 -15.399 3.322 226 HA ARG 33 HA ARG 33 24.885 -15.442 0.603 227 1HB ARG 33 1HB ARG 33 26.307 -16.700 2.802 228 2HB ARG 33 2HB ARG 33 26.321 -17.707 1.360 229 1HG ARG 33 1HG ARG 33 27.192 -14.827 1.473 230 2HG ARG 33 2HG ARG 33 28.269 -16.225 1.496 231 1HD ARG 33 1HD ARG 33 26.756 -16.748 -0.701 232 2HD ARG 33 2HD ARG 33 26.819 -14.986 -0.737 233 HE ARG 33 HE ARG 33 28.996 -15.141 -1.390 234 1HH1 ARG 33 2HH1 ARG 33 28.091 -18.124 0.160 235 2HH1 ARG 33 1HH1 ARG 33 29.597 -18.910 -0.182 236 1HH2 ARG 33 2HH2 ARG 33 30.982 -16.165 -1.846 237 2HH2 ARG 33 1HH2 ARG 33 31.241 -17.794 -1.322 238 H GLY 34 H GLY 34 24.560 -18.538 2.325 239 1HA GLY 34 1HA GLY 34 23.081 -19.583 0.022 240 2HA GLY 34 2HA GLY 34 23.833 -20.540 1.289 241 H LYS 35 H LYS 35 21.575 -17.815 1.542 242 HA LYS 35 HA LYS 35 19.655 -19.643 2.828 243 1HB LYS 35 1HB LYS 35 20.846 -17.146 3.798 244 2HB LYS 35 2HB LYS 35 19.091 -17.180 3.913 245 1HG LYS 35 1HG LYS 35 19.560 -19.557 4.963 246 2HG LYS 35 2HG LYS 35 21.121 -18.817 5.327 247 1HD LYS 35 1HD LYS 35 18.414 -17.730 6.103 248 2HD LYS 35 2HD LYS 35 19.560 -18.529 7.181 249 1HE LYS 35 1HE LYS 35 21.202 -16.685 6.406 250 2HE LYS 35 2HE LYS 35 19.749 -15.840 5.873 251 1HZ LYS 35 1HZ LYS 35 20.155 -15.085 8.034 252 2HZ LYS 35 2HZ LYS 35 20.495 -16.634 8.623 253 3HZ LYS 35 3HZ LYS 35 18.908 -16.214 8.214 254 H GLN 36 H GLN 36 17.400 -18.895 2.754 255 HA GLN 36 HA GLN 36 16.852 -17.179 0.426 256 1HB GLN 36 1HB GLN 36 15.312 -18.666 -0.467 257 2HB GLN 36 2HB GLN 36 16.572 -19.745 0.117 258 1HG GLN 36 1HG GLN 36 13.882 -19.193 1.317 259 2HG GLN 36 2HG GLN 36 14.550 -20.728 0.766 260 1HE2 GLN 36 2HE2 GLN 36 13.735 -19.077 3.426 261 2HE2 GLN 36 1HE2 GLN 36 14.834 -19.762 4.570 262 H SER 37 H SER 37 14.303 -16.782 0.413 263 HA SER 37 HA SER 37 13.060 -16.537 2.970 264 1HB SER 37 1HB SER 37 14.476 -14.692 3.384 265 2HB SER 37 2HB SER 37 14.342 -14.109 1.725 266 HG SER 37 HG SER 37 12.224 -13.503 2.141 267 H ASN 38 H ASN 38 10.892 -15.995 2.820 268 HA ASN 38 HA ASN 38 9.676 -16.410 0.286 269 1HB ASN 38 1HB ASN 38 8.556 -15.580 2.966 270 2HB ASN 38 2HB ASN 38 7.549 -15.857 1.548 271 1HD2 ASN 38 2HD2 ASN 38 9.038 -17.251 4.211 272 2HD2 ASN 38 1HD2 ASN 38 8.784 -18.911 3.805 273 H GLY 39 H GLY 39 9.363 -14.973 -1.275 274 1HA GLY 39 1HA GLY 39 10.018 -12.265 -1.099 275 2HA GLY 39 2HA GLY 39 9.039 -12.983 -2.370 276 H LEU 40 H LEU 40 8.167 -10.665 -2.076 277 HA LEU 40 HA LEU 40 6.089 -10.640 0.006 278 1HB LEU 40 1HB LEU 40 7.693 -8.766 0.025 279 2HB LEU 40 2HB LEU 40 7.189 -8.344 -1.610 280 HG LEU 40 HG LEU 40 4.959 -7.794 -0.795 281 1HD1 LEU 40 1HD1 LEU 40 5.887 -9.209 1.551 282 2HD1 LEU 40 2HD1 LEU 40 4.247 -8.785 1.063 283 3HD1 LEU 40 3HD1 LEU 40 5.227 -7.625 1.958 284 1HD2 LEU 40 1HD2 LEU 40 7.044 -6.219 -0.667 285 2HD2 LEU 40 2HD2 LEU 40 6.799 -6.372 1.073 286 3HD2 LEU 40 3HD2 LEU 40 5.510 -5.731 0.054 287 H HIS 41 H HIS 41 3.981 -9.795 -0.575 288 HA HIS 41 HA HIS 41 3.259 -9.549 -3.343 289 1HB HIS 41 1HB HIS 41 3.338 -12.131 -2.423 290 2HB HIS 41 2HB HIS 41 1.657 -11.694 -2.132 291 HD1 HIS 41 HD1 HIS 41 0.161 -11.297 -4.189 292 HD2 HIS 41 HD2 HIS 41 4.081 -12.306 -5.125 293 HE1 HIS 41 HE1 HIS 41 0.149 -11.832 -6.646 294 H GLY 42 H GLY 42 2.207 -7.667 -2.977 295 1HA GLY 42 1HA GLY 42 -0.217 -7.077 -2.557 296 2HA GLY 42 2HA GLY 42 0.074 -7.685 -0.934 297 H ASP 43 H ASP 43 -0.780 -5.425 -0.525 298 HA ASP 43 HA ASP 43 1.223 -3.334 -0.872 299 1HB ASP 43 1HB ASP 43 -0.528 -1.848 0.099 300 2HB ASP 43 2HB ASP 43 -1.059 -2.697 -1.350 301 H TYR 44 H TYR 44 2.746 -3.064 0.605 302 HA TYR 44 HA TYR 44 2.077 -3.135 3.426 303 1HB TYR 44 1HB TYR 44 4.212 -4.948 2.282 304 2HB TYR 44 2HB TYR 44 3.894 -4.698 3.995 305 HD1 TYR 44 HD1 TYR 44 2.965 -6.511 1.027 306 HD2 TYR 44 HD2 TYR 44 1.681 -5.444 4.940 307 HE1 TYR 44 HE1 TYR 44 1.324 -8.343 0.982 308 HE2 TYR 44 HE2 TYR 44 0.038 -7.274 4.907 309 HH TYR 44 HH TYR 44 0.123 -9.786 2.911 310 H ASP 45 H ASP 45 3.116 -1.565 4.470 311 HA ASP 45 HA ASP 45 4.762 0.279 3.174 312 1HB ASP 45 1HB ASP 45 4.480 -0.259 6.138 313 2HB ASP 45 2HB ASP 45 5.224 1.176 5.438 314 H VAL 46 H VAL 46 6.959 0.881 4.499 315 HA VAL 46 HA VAL 46 8.882 -0.934 3.574 316 HB VAL 46 HB VAL 46 9.471 1.379 3.884 317 1HG1 VAL 46 1HG1 VAL 46 9.249 1.004 6.861 318 2HG1 VAL 46 2HG1 VAL 46 9.513 2.503 5.967 319 3HG1 VAL 46 3HG1 VAL 46 7.952 1.685 5.880 320 1HG2 VAL 46 1HG2 VAL 46 11.241 -0.342 4.127 321 2HG2 VAL 46 2HG2 VAL 46 11.592 1.149 5.002 322 3HG2 VAL 46 3HG2 VAL 46 11.021 -0.273 5.875 323 H GLU 47 H GLU 47 7.662 -0.347 6.859 324 HA GLU 47 HA GLU 47 9.307 -2.362 8.045 325 1HB GLU 47 1HB GLU 47 6.876 -0.887 9.064 326 2HB GLU 47 2HB GLU 47 7.813 -2.014 10.035 327 1HG GLU 47 1HG GLU 47 9.326 -0.471 10.509 328 2HG GLU 47 2HG GLU 47 9.523 -0.048 8.809 329 H SER 48 H SER 48 5.816 -2.161 7.358 330 HA SER 48 HA SER 48 5.100 -4.706 8.196 331 1HB SER 48 1HB SER 48 3.790 -2.585 7.020 332 2HB SER 48 2HB SER 48 3.679 -3.838 5.784 333 HG SER 48 HG SER 48 2.047 -3.675 7.647 334 H GLY 49 H GLY 49 6.043 -3.652 4.925 335 1HA GLY 49 1HA GLY 49 5.866 -6.181 3.710 336 2HA GLY 49 2HA GLY 49 6.830 -4.834 3.122 337 H LEU 50 H LEU 50 8.632 -4.533 5.206 338 HA LEU 50 HA LEU 50 10.634 -6.321 4.561 339 1HB LEU 50 1HB LEU 50 11.458 -4.469 5.600 340 2HB LEU 50 2HB LEU 50 10.160 -4.427 6.792 341 HG LEU 50 HG LEU 50 11.231 -6.222 8.044 342 1HD1 LEU 50 1HD1 LEU 50 12.534 -6.750 5.634 343 2HD1 LEU 50 2HD1 LEU 50 12.771 -7.564 7.180 344 3HD1 LEU 50 3HD1 LEU 50 13.795 -6.198 6.737 345 1HD2 LEU 50 1HD2 LEU 50 12.441 -3.625 7.529 346 2HD2 LEU 50 2HD2 LEU 50 13.591 -4.809 8.152 347 3HD2 LEU 50 3HD2 LEU 50 12.121 -4.444 9.058 348 H GLN 51 H GLN 51 8.605 -6.356 7.493 349 HA GLN 51 HA GLN 51 9.625 -8.771 8.516 350 1HB GLN 51 1HB GLN 51 6.879 -7.591 8.968 351 2HB GLN 51 2HB GLN 51 7.691 -8.768 9.992 352 1HG GLN 51 1HG GLN 51 9.214 -6.311 9.541 353 2HG GLN 51 2HG GLN 51 7.686 -6.081 10.389 354 1HE2 GLN 51 2HE2 GLN 51 10.596 -8.092 10.401 355 2HE2 GLN 51 1HE2 GLN 51 10.676 -8.275 12.116 356 H GLN 52 H GLN 52 7.310 -8.099 6.042 357 HA GLN 52 HA GLN 52 6.028 -10.660 6.092 358 1HB GLN 52 1HB GLN 52 5.514 -8.211 4.887 359 2HB GLN 52 2HB GLN 52 5.913 -9.266 3.538 360 1HG GLN 52 1HG GLN 52 3.860 -9.929 5.632 361 2HG GLN 52 2HG GLN 52 3.490 -9.147 4.097 362 1HE2 GLN 52 2HE2 GLN 52 3.421 -12.000 5.621 363 2HE2 GLN 52 1HE2 GLN 52 3.587 -13.076 4.280 364 H LEU 53 H LEU 53 8.873 -9.334 4.623 365 HA LEU 53 HA LEU 53 9.172 -11.323 2.597 366 1HB LEU 53 1HB LEU 53 10.735 -9.072 3.660 367 2HB LEU 53 2HB LEU 53 11.692 -10.397 3.000 368 HG LEU 53 HG LEU 53 11.490 -9.053 1.159 369 1HD1 LEU 53 1HD1 LEU 53 10.408 -11.358 0.850 370 2HD1 LEU 53 2HD1 LEU 53 10.115 -10.131 -0.382 371 3HD1 LEU 53 3HD1 LEU 53 8.877 -10.483 0.823 372 1HD2 LEU 53 1HD2 LEU 53 10.174 -7.295 2.056 373 2HD2 LEU 53 2HD2 LEU 53 8.750 -8.329 2.176 374 3HD2 LEU 53 3HD2 LEU 53 9.356 -7.843 0.592 375 H LEU 54 H LEU 54 10.878 -10.766 5.680 376 HA LEU 54 HA LEU 54 12.108 -13.372 5.569 377 1HB LEU 54 1HB LEU 54 13.458 -12.653 7.229 378 2HB LEU 54 2HB LEU 54 12.910 -11.079 6.655 379 HG LEU 54 HG LEU 54 12.769 -10.907 8.969 380 1HD1 LEU 54 1HD1 LEU 54 10.004 -11.836 8.809 381 2HD1 LEU 54 2HD1 LEU 54 10.482 -10.772 7.486 382 3HD1 LEU 54 3HD1 LEU 54 10.647 -10.231 9.156 383 1HD2 LEU 54 1HD2 LEU 54 11.158 -13.217 9.646 384 2HD2 LEU 54 2HD2 LEU 54 12.662 -12.640 10.363 385 3HD2 LEU 54 3HD2 LEU 54 12.706 -13.676 8.935 386 H ASP 55 H ASP 55 9.091 -12.309 6.399 387 HA ASP 55 HA ASP 55 8.383 -13.490 8.768 388 1HB ASP 55 1HB ASP 55 7.024 -12.448 6.535 389 2HB ASP 55 2HB ASP 55 6.352 -14.055 6.798 390 H GLY 56 H GLY 56 8.684 -15.473 9.521 391 1HA GLY 56 1HA GLY 56 7.692 -17.815 8.668 392 2HA GLY 56 2HA GLY 56 9.149 -17.681 7.695 393 H SER 57 H SER 57 10.358 -16.166 10.075 394 HA SER 57 HA SER 57 10.979 -18.557 11.684 395 1HB SER 57 1HB SER 57 13.221 -17.267 12.055 396 2HB SER 57 2HB SER 57 12.977 -18.156 10.552 397 HG SER 57 HG SER 57 12.609 -15.370 10.954 398 H GLY 58 H GLY 58 10.857 -15.003 11.732 399 1HA GLY 58 1HA GLY 58 9.742 -13.764 13.420 400 2HA GLY 58 2HA GLY 58 9.886 -15.148 14.494 401 H LEU 59 H LEU 59 11.409 -12.283 13.284 402 HA LEU 59 HA LEU 59 13.470 -12.560 15.363 403 1HB LEU 59 1HB LEU 59 13.800 -11.822 12.484 404 2HB LEU 59 2HB LEU 59 14.911 -11.183 13.693 405 HG LEU 59 HG LEU 59 14.927 -13.881 14.222 406 1HD1 LEU 59 1HD1 LEU 59 13.625 -13.963 11.950 407 2HD1 LEU 59 2HD1 LEU 59 14.901 -15.129 12.300 408 3HD1 LEU 59 3HD1 LEU 59 15.235 -13.743 11.262 409 1HD2 LEU 59 1HD2 LEU 59 16.828 -12.291 14.118 410 2HD2 LEU 59 2HD2 LEU 59 16.784 -12.407 12.359 411 3HD2 LEU 59 3HD2 LEU 59 17.157 -13.833 13.328 412 H GLN 60 H GLN 60 14.601 -10.322 15.653 413 HA GLN 60 HA GLN 60 12.459 -8.315 15.856 414 1HB GLN 60 1HB GLN 60 13.465 -7.483 17.803 415 2HB GLN 60 2HB GLN 60 13.616 -9.228 17.956 416 1HG GLN 60 1HG GLN 60 15.940 -8.618 16.706 417 2HG GLN 60 2HG GLN 60 15.682 -7.169 17.676 418 1HE2 GLN 60 2HE2 GLN 60 16.332 -10.567 17.712 419 2HE2 GLN 60 1HE2 GLN 60 16.714 -10.689 19.393 420 H VAL 61 H VAL 61 12.786 -6.228 15.165 421 HA VAL 61 HA VAL 61 15.323 -5.679 13.772 422 HB VAL 61 HB VAL 61 12.665 -4.680 12.772 423 1HG1 VAL 61 1HG1 VAL 61 14.933 -5.125 10.955 424 2HG1 VAL 61 2HG1 VAL 61 13.812 -3.766 11.065 425 3HG1 VAL 61 3HG1 VAL 61 15.180 -3.875 12.174 426 1HG2 VAL 61 1HG2 VAL 61 13.814 -7.352 12.544 427 2HG2 VAL 61 2HG2 VAL 61 12.177 -6.790 12.204 428 3HG2 VAL 61 3HG2 VAL 61 13.441 -6.613 10.986 429 H LYS 62 H LYS 62 16.269 -3.815 14.299 430 HA LYS 62 HA LYS 62 14.655 -1.639 15.412 431 1HB LYS 62 1HB LYS 62 16.561 -1.313 17.117 432 2HB LYS 62 2HB LYS 62 15.380 -2.579 17.425 433 1HG LYS 62 1HG LYS 62 17.671 -3.501 15.880 434 2HG LYS 62 2HG LYS 62 18.103 -2.874 17.473 435 1HD LYS 62 1HD LYS 62 15.952 -4.930 16.980 436 2HD LYS 62 2HD LYS 62 17.611 -5.318 17.441 437 1HE LYS 62 1HE LYS 62 17.262 -4.768 19.585 438 2HE LYS 62 2HE LYS 62 16.348 -3.321 19.161 439 1HZ LYS 62 1HZ LYS 62 15.403 -6.017 19.721 440 2HZ LYS 62 2HZ LYS 62 14.598 -5.185 18.488 441 3HZ LYS 62 3HZ LYS 62 14.674 -4.525 20.043 442 HA PRO 63 HA PRO 63 17.155 0.795 12.721 443 1HB PRO 63 1HB PRO 63 16.703 3.231 13.832 444 2HB PRO 63 2HB PRO 63 15.495 2.377 12.863 445 1HG PRO 63 1HG PRO 63 15.748 2.565 15.840 446 2HG PRO 63 2HG PRO 63 14.294 2.683 14.831 447 1HD PRO 63 1HD PRO 63 14.962 0.422 16.164 448 2HD PRO 63 2HD PRO 63 14.112 0.396 14.606 449 H LEU 64 H LEU 64 19.030 2.191 12.719 450 HA LEU 64 HA LEU 64 20.544 2.176 15.242 451 1HB LEU 64 1HB LEU 64 22.068 1.914 12.727 452 2HB LEU 64 2HB LEU 64 22.377 1.221 14.317 453 HG LEU 64 HG LEU 64 20.211 0.181 12.509 454 1HD1 LEU 64 1HD1 LEU 64 22.422 0.112 11.366 455 2HD1 LEU 64 2HD1 LEU 64 21.723 -1.476 11.681 456 3HD1 LEU 64 3HD1 LEU 64 23.028 -0.869 12.701 457 1HD2 LEU 64 1HD2 LEU 64 19.765 -1.066 14.290 458 2HD2 LEU 64 2HD2 LEU 64 21.155 -0.413 15.158 459 3HD2 LEU 64 3HD2 LEU 64 21.351 -1.816 14.106 460 H GLY 65 H GLY 65 20.190 3.604 12.016 461 1HA GLY 65 1HA GLY 65 20.229 6.244 12.813 462 2HA GLY 65 2HA GLY 65 21.912 5.818 12.541 463 H ASN 66 H ASN 66 19.571 7.422 11.138 464 HA ASN 66 HA ASN 66 19.174 8.123 9.010 465 1HB ASN 66 1HB ASN 66 21.620 8.128 8.766 466 2HB ASN 66 2HB ASN 66 21.583 6.424 8.323 467 1HD2 ASN 66 2HD2 ASN 66 19.424 9.043 7.352 468 2HD2 ASN 66 1HD2 ASN 66 19.760 8.930 5.661 469 H ASN 67 H ASN 67 17.342 6.500 9.602 470 HA ASN 67 HA ASN 67 15.917 4.817 9.001 471 1HB ASN 67 1HB ASN 67 16.489 6.437 6.788 472 2HB ASN 67 2HB ASN 67 16.554 4.787 6.175 473 1HD2 ASN 67 2HD2 ASN 67 14.663 3.543 7.693 474 2HD2 ASN 67 1HD2 ASN 67 13.106 4.209 7.351 475 H SER 68 H SER 68 18.614 3.980 9.700 476 HA SER 68 HA SER 68 19.021 1.659 7.953 477 1HB SER 68 1HB SER 68 21.002 3.042 8.409 478 2HB SER 68 2HB SER 68 20.791 2.780 10.140 479 HG SER 68 HG SER 68 21.143 0.559 9.776 480 H TRP 69 H TRP 69 17.994 -0.129 8.530 481 HA TRP 69 HA TRP 69 17.548 -0.646 11.392 482 1HB TRP 69 1HB TRP 69 16.088 -1.755 8.984 483 2HB TRP 69 2HB TRP 69 15.733 -2.154 10.663 484 HD1 TRP 69 HD1 TRP 69 16.091 1.215 8.741 485 HE1 TRP 69 HE1 TRP 69 14.099 2.706 9.400 486 HE3 TRP 69 HE3 TRP 69 13.713 -1.979 11.947 487 HZ2 TRP 69 HZ2 TRP 69 11.821 2.548 11.060 488 HZ3 TRP 69 HZ3 TRP 69 11.633 -1.232 13.029 489 HH2 TRP 69 HH2 TRP 69 10.709 0.985 12.594 490 H THR 70 H THR 70 17.755 -2.845 12.150 491 HA THR 70 HA THR 70 19.458 -4.568 10.491 492 HB THR 70 HB THR 70 20.905 -3.268 12.050 493 HG1 THR 70 HG1 THR 70 22.076 -5.019 11.972 494 1HG2 THR 70 1HG2 THR 70 19.385 -3.015 13.921 495 2HG2 THR 70 2HG2 THR 70 20.835 -3.868 14.452 496 3HG2 THR 70 3HG2 THR 70 19.343 -4.761 14.160 497 H LEU 71 H LEU 71 19.350 -6.789 10.973 498 HA LEU 71 HA LEU 71 16.939 -7.545 12.464 499 1HB LEU 71 1HB LEU 71 18.283 -8.532 10.062 500 2HB LEU 71 2HB LEU 71 17.785 -9.808 11.171 501 HG LEU 71 HG LEU 71 16.115 -9.400 9.429 502 1HD1 LEU 71 1HD1 LEU 71 15.128 -10.278 11.323 503 2HD1 LEU 71 2HD1 LEU 71 14.192 -8.806 11.065 504 3HD1 LEU 71 3HD1 LEU 71 15.459 -8.840 12.291 505 1HD2 LEU 71 1HD2 LEU 71 16.177 -6.613 10.547 506 2HD2 LEU 71 2HD2 LEU 71 14.786 -7.235 9.658 507 3HD2 LEU 71 3HD2 LEU 71 16.363 -7.134 8.873 508 H GLU 72 H GLU 72 17.114 -8.515 14.369 509 HA GLU 72 HA GLU 72 19.630 -9.908 15.011 510 1HB GLU 72 1HB GLU 72 19.512 -7.784 16.222 511 2HB GLU 72 2HB GLU 72 17.937 -8.224 16.866 512 1HG GLU 72 1HG GLU 72 19.225 -8.791 18.639 513 2HG GLU 72 2HG GLU 72 19.280 -10.315 17.755 514 HA PRO 73 HA PRO 73 17.037 -13.392 15.793 515 1HB PRO 73 1HB PRO 73 18.827 -14.888 17.182 516 2HB PRO 73 2HB PRO 73 18.915 -14.666 15.431 517 1HG PRO 73 1HG PRO 73 20.440 -13.270 17.595 518 2HG PRO 73 2HG PRO 73 21.023 -13.897 16.043 519 1HD PRO 73 1HD PRO 73 20.485 -11.274 16.445 520 2HD PRO 73 2HD PRO 73 20.256 -12.066 14.872 521 H ALA 74 H ALA 74 15.560 -13.832 17.313 522 HA ALA 74 HA ALA 74 15.961 -12.726 19.999 523 1HB ALA 74 1HB ALA 74 13.949 -11.889 19.369 524 2HB ALA 74 2HB ALA 74 13.593 -13.246 18.300 525 3HB ALA 74 3HB ALA 74 13.389 -13.420 20.043 526 HA PRO 75 HA PRO 75 16.240 -16.625 21.992 527 1HB PRO 75 1HB PRO 75 14.771 -16.236 24.242 528 2HB PRO 75 2HB PRO 75 16.353 -15.489 23.986 529 1HG PRO 75 1HG PRO 75 13.623 -14.315 23.623 530 2HG PRO 75 2HG PRO 75 15.064 -13.590 24.360 531 1HD PRO 75 1HD PRO 75 14.283 -13.027 21.830 532 2HD PRO 75 2HD PRO 75 15.989 -13.047 22.320 533 H ALA 76 H ALA 76 15.175 -18.577 22.357 534 HA ALA 76 HA ALA 76 12.772 -18.984 20.901 535 1HB ALA 76 1HB ALA 76 13.620 -21.033 20.859 536 2HB ALA 76 2HB ALA 76 14.798 -20.606 22.101 537 3HB ALA 76 3HB ALA 76 13.209 -21.213 22.565 538 HA PRO 77 HA PRO 77 9.607 -18.481 23.898 539 1HB PRO 77 1HB PRO 77 7.932 -20.541 23.332 540 2HB PRO 77 2HB PRO 77 8.106 -19.128 22.284 541 1HG PRO 77 1HG PRO 77 9.348 -21.840 22.030 542 2HG PRO 77 2HG PRO 77 8.623 -20.820 20.774 543 1HD PRO 77 1HD PRO 77 11.300 -20.998 21.142 544 2HD PRO 77 2HD PRO 77 10.511 -19.514 20.569 545 H LYS 78 H LYS 78 8.445 -19.523 25.709 546 HA LYS 78 HA LYS 78 10.152 -21.541 26.996 547 1HB LYS 78 1HB LYS 78 10.002 -19.454 28.228 548 2HB LYS 78 2HB LYS 78 8.245 -19.521 28.188 549 1HG LYS 78 1HG LYS 78 8.949 -20.189 30.356 550 2HG LYS 78 2HG LYS 78 8.369 -21.629 29.516 551 1HD LYS 78 1HD LYS 78 10.802 -22.048 28.889 552 2HD LYS 78 2HD LYS 78 11.208 -20.813 30.083 553 1HE LYS 78 1HE LYS 78 9.717 -23.387 30.578 554 2HE LYS 78 2HE LYS 78 11.361 -23.007 31.088 555 1HZ LYS 78 1HZ LYS 78 8.813 -22.091 32.190 556 2HZ LYS 78 2HZ LYS 78 10.113 -21.010 32.233 557 3HZ LYS 78 3HZ LYS 78 10.244 -22.519 32.986 558 H GLU 79 H GLU 79 9.249 -23.420 26.200 559 HA GLU 79 HA GLU 79 6.508 -23.960 25.983 560 1HB GLU 79 1HB GLU 79 8.433 -25.264 24.963 561 2HB GLU 79 2HB GLU 79 8.639 -26.021 26.536 562 1HG GLU 79 1HG GLU 79 7.315 -27.572 25.548 563 2HG GLU 79 2HG GLU 79 6.069 -26.532 26.237 564 H ASP 80 H ASP 80 5.005 -24.774 27.355 565 HA ASP 80 HA ASP 80 5.835 -25.569 30.049 566 1HB ASP 80 1HB ASP 80 3.920 -24.211 30.983 567 2HB ASP 80 2HB ASP 80 5.281 -23.271 30.379 568 H ALA 81 H ALA 81 3.689 -26.258 31.284 569 HA ALA 81 HA ALA 81 2.378 -28.191 29.510 570 1HB ALA 81 1HB ALA 81 2.952 -28.132 32.441 571 2HB ALA 81 2HB ALA 81 1.649 -29.146 31.819 572 3HB ALA 81 3HB ALA 81 3.301 -29.388 31.252 573 H LEU 82 H LEU 82 1.276 -25.902 28.960 574 HA LEU 82 HA LEU 82 -1.194 -25.772 30.562 575 1HB LEU 82 1HB LEU 82 0.222 -23.735 30.651 576 2HB LEU 82 2HB LEU 82 0.033 -23.573 28.906 577 HG LEU 82 HG LEU 82 -2.424 -23.661 30.583 578 1HD1 LEU 82 1HD1 LEU 82 -1.705 -21.985 31.873 579 2HD1 LEU 82 2HD1 LEU 82 -1.899 -20.984 30.434 580 3HD1 LEU 82 3HD1 LEU 82 -0.318 -21.654 30.835 581 1HD2 LEU 82 1HD2 LEU 82 -2.248 -21.621 28.564 582 2HD2 LEU 82 2HD2 LEU 82 -3.360 -22.984 28.686 583 3HD2 LEU 82 3HD2 LEU 82 -1.794 -23.190 27.899 584 H THR 83 H THR 83 -2.774 -26.789 29.524 585 HA THR 83 HA THR 83 -2.777 -27.135 26.676 586 HB THR 83 HB THR 83 -3.670 -28.899 28.098 587 HG1 THR 83 HG1 THR 83 -5.735 -29.102 27.000 588 1HG2 THR 83 1HG2 THR 83 -5.487 -26.713 29.036 589 2HG2 THR 83 2HG2 THR 83 -4.599 -27.913 29.977 590 3HG2 THR 83 3HG2 THR 83 -6.036 -28.388 29.072 591 H VAL 84 H VAL 84 -4.310 -26.346 25.194 592 HA VAL 84 HA VAL 84 -5.993 -24.118 26.091 593 HB VAL 84 HB VAL 84 -4.105 -23.965 23.737 594 1HG1 VAL 84 1HG1 VAL 84 -4.963 -21.506 23.857 595 2HG1 VAL 84 2HG1 VAL 84 -5.923 -22.734 23.029 596 3HG1 VAL 84 3HG1 VAL 84 -6.353 -22.231 24.664 597 1HG2 VAL 84 1HG2 VAL 84 -2.713 -23.507 25.492 598 2HG2 VAL 84 2HG2 VAL 84 -3.379 -21.898 25.213 599 3HG2 VAL 84 3HG2 VAL 84 -4.017 -22.903 26.514 600 H VAL 85 H VAL 85 -7.997 -24.577 25.490 601 HA VAL 85 HA VAL 85 -8.797 -26.571 23.751 602 HB VAL 85 HB VAL 85 -10.340 -24.033 24.300 603 1HG1 VAL 85 1HG1 VAL 85 -11.717 -25.018 22.815 604 2HG1 VAL 85 2HG1 VAL 85 -10.969 -26.604 23.016 605 3HG1 VAL 85 3HG1 VAL 85 -12.158 -26.033 24.188 606 1HG2 VAL 85 1HG2 VAL 85 -9.760 -24.844 26.425 607 2HG2 VAL 85 2HG2 VAL 85 -11.378 -25.480 26.129 608 3HG2 VAL 85 3HG2 VAL 85 -9.971 -26.526 25.936 609 H GLY 86 H GLY 86 -8.554 -26.794 21.633 610 1HA GLY 86 1HA GLY 86 -8.982 -24.496 19.883 611 2HA GLY 86 2HA GLY 86 -7.407 -25.271 19.797 612 H ASP 87 H ASP 87 -7.756 -25.839 17.622 613 HA ASP 87 HA ASP 87 -9.964 -27.627 17.000 614 1HB ASP 87 1HB ASP 87 -7.779 -26.395 15.318 615 2HB ASP 87 2HB ASP 87 -8.935 -27.562 14.681 616 H TRP 88 H TRP 88 -9.444 -29.617 15.686 617 HA TRP 88 HA TRP 88 -7.347 -31.105 17.081 618 1HB TRP 88 1HB TRP 88 -9.348 -32.347 15.218 619 2HB TRP 88 2HB TRP 88 -8.538 -33.058 16.611 620 HD1 TRP 88 HD1 TRP 88 -11.784 -31.685 15.619 621 HE1 TRP 88 HE1 TRP 88 -13.249 -31.195 17.677 622 HE3 TRP 88 HE3 TRP 88 -8.206 -32.008 19.256 623 HZ2 TRP 88 HZ2 TRP 88 -12.930 -30.973 20.473 624 HZ3 TRP 88 HZ3 TRP 88 -8.869 -31.642 21.598 625 HH2 TRP 88 HH2 TRP 88 -11.182 -31.136 22.191 626 H LEU 89 H LEU 89 -6.817 -33.135 15.345 627 HA LEU 89 HA LEU 89 -5.024 -31.859 13.500 628 1HB LEU 89 1HB LEU 89 -4.252 -33.805 14.641 629 2HB LEU 89 2HB LEU 89 -5.643 -34.742 14.100 630 HG LEU 89 HG LEU 89 -4.786 -34.622 11.787 631 1HD1 LEU 89 1HD1 LEU 89 -3.138 -33.264 11.183 632 2HD1 LEU 89 2HD1 LEU 89 -2.081 -33.886 12.450 633 3HD1 LEU 89 3HD1 LEU 89 -3.198 -32.567 12.803 634 1HD2 LEU 89 1HD2 LEU 89 -4.045 -36.303 13.760 635 2HD2 LEU 89 2HD2 LEU 89 -2.469 -35.685 13.265 636 3HD2 LEU 89 3HD2 LEU 89 -3.522 -36.465 12.083 637 H GLY 90 H GLY 90 -7.937 -33.860 13.243 638 1HA GLY 90 1HA GLY 90 -9.318 -34.314 11.463 639 2HA GLY 90 2HA GLY 90 -8.955 -32.666 10.972 640 H ASP 91 H ASP 91 -8.033 -36.033 10.625 641 HA ASP 91 HA ASP 91 -6.667 -35.319 8.114 642 1HB ASP 91 1HB ASP 91 -5.239 -37.369 8.517 643 2HB ASP 91 2HB ASP 91 -4.943 -36.014 9.603 644 H ALA 92 H ALA 92 -8.617 -35.674 6.971 645 HA ALA 92 HA ALA 92 -9.461 -38.495 6.841 646 1HB ALA 92 1HB ALA 92 -11.114 -36.629 7.557 647 2HB ALA 92 2HB ALA 92 -11.162 -36.251 5.835 648 3HB ALA 92 3HB ALA 92 -11.638 -37.852 6.400 649 H ARG 93 H ARG 93 -10.722 -38.705 4.536 650 HA ARG 93 HA ARG 93 -9.109 -37.535 2.409 651 1HB ARG 93 1HB ARG 93 -8.574 -39.690 1.413 652 2HB ARG 93 2HB ARG 93 -7.919 -39.596 3.042 653 1HG ARG 93 1HG ARG 93 -9.531 -41.068 3.896 654 2HG ARG 93 2HG ARG 93 -10.556 -40.903 2.469 655 1HD ARG 93 1HD ARG 93 -9.551 -42.977 2.165 656 2HD ARG 93 2HD ARG 93 -8.555 -41.899 1.188 657 HE ARG 93 HE ARG 93 -6.794 -42.293 2.601 658 1HH1 ARG 93 2HH1 ARG 93 -9.737 -43.417 4.082 659 2HH1 ARG 93 1HH1 ARG 93 -8.928 -44.209 5.394 660 1HH2 ARG 93 2HH2 ARG 93 -5.718 -43.332 4.323 661 2HH2 ARG 93 1HH2 ARG 93 -6.642 -44.159 5.531 662 H GLU 94 H GLU 94 -9.954 -38.809 0.242 663 HA GLU 94 HA GLU 94 -12.896 -38.746 0.383 664 1HB GLU 94 1HB GLU 94 -11.613 -36.743 -0.728 665 2HB GLU 94 2HB GLU 94 -11.445 -37.856 -2.079 666 1HG GLU 94 1HG GLU 94 -14.105 -37.237 -0.840 667 2HG GLU 94 2HG GLU 94 -13.410 -36.254 -2.127 668 H ASN 95 H ASN 95 -13.944 -40.396 -0.560 669 HA ASN 95 HA ASN 95 -12.614 -42.737 -1.295 670 1HB ASN 95 1HB ASN 95 -15.126 -42.261 -0.628 671 2HB ASN 95 2HB ASN 95 -15.347 -42.184 -2.373 672 1HD2 ASN 95 2HD2 ASN 95 -15.213 -44.027 -3.580 673 2HD2 ASN 95 1HD2 ASN 95 -15.098 -45.606 -2.889 674 H ASP 96 H ASP 96 -13.006 -43.860 -3.467 675 HA ASP 96 HA ASP 96 -12.469 -41.956 -5.652 676 1HB ASP 96 1HB ASP 96 -10.578 -43.560 -4.735 677 2HB ASP 96 2HB ASP 96 -11.397 -44.744 -5.750 678 H LEU 97 H LEU 97 -12.895 -42.934 -7.850 679 HA LEU 97 HA LEU 97 -14.842 -45.052 -7.983 680 1HB LEU 97 1HB LEU 97 -16.015 -42.820 -7.346 681 2HB LEU 97 2HB LEU 97 -15.755 -42.407 -9.039 682 HG LEU 97 HG LEU 97 -17.072 -44.375 -9.704 683 1HD1 LEU 97 1HD1 LEU 97 -18.483 -45.059 -7.431 684 2HD1 LEU 97 2HD1 LEU 97 -16.809 -44.986 -6.881 685 3HD1 LEU 97 3HD1 LEU 97 -17.249 -46.033 -8.231 686 1HD2 LEU 97 1HD2 LEU 97 -18.452 -42.566 -9.735 687 2HD2 LEU 97 2HD2 LEU 97 -18.180 -42.186 -8.034 688 3HD2 LEU 97 3HD2 LEU 97 -19.260 -43.508 -8.482 689 H GLU 98 H GLU 98 -15.536 -45.463 -10.250 690 HA GLU 98 HA GLU 98 -15.004 -45.912 -12.416 691 1HB GLU 98 1HB GLU 98 -15.244 -43.276 -12.320 692 2HB GLU 98 2HB GLU 98 -13.522 -43.333 -12.668 693 1HG GLU 98 1HG GLU 98 -14.844 -43.095 -14.698 694 2HG GLU 98 2HG GLU 98 -13.944 -44.611 -14.684 695 H HIS 99 H HIS 99 -13.272 -46.990 -10.559 696 HA HIS 99 HA HIS 99 -10.548 -46.463 -10.997 697 1HB HIS 99 1HB HIS 99 -12.117 -48.710 -9.837 698 2HB HIS 99 2HB HIS 99 -10.445 -49.037 -10.283 699 HD1 HIS 99 HD1 HIS 99 -12.144 -48.389 -7.389 700 HD2 HIS 99 HD2 HIS 99 -8.902 -46.489 -9.162 701 HE1 HIS 99 HE1 HIS 99 -10.985 -47.160 -5.527 702 H HIS 100 H HIS 100 -9.504 -46.605 -12.863 703 HA HIS 100 HA HIS 100 -10.138 -48.855 -14.658 704 1HB HIS 100 1HB HIS 100 -9.699 -45.961 -15.241 705 2HB HIS 100 2HB HIS 100 -9.149 -47.142 -16.425 706 HD1 HIS 100 HD1 HIS 100 -11.484 -49.149 -16.248 707 HD2 HIS 100 HD2 HIS 100 -11.948 -45.026 -16.462 708 HE1 HIS 100 HE1 HIS 100 -13.795 -48.779 -17.166 709 H HIS 101 H HIS 101 -8.437 -49.925 -15.630 710 HA HIS 101 HA HIS 101 -5.742 -49.039 -15.511 711 1HB HIS 101 1HB HIS 101 -4.841 -50.598 -13.902 712 2HB HIS 101 2HB HIS 101 -6.098 -49.645 -13.118 713 HD1 HIS 101 HD1 HIS 101 -4.942 -52.933 -13.137 714 HD2 HIS 101 HD2 HIS 101 -8.732 -51.261 -13.458 715 HE1 HIS 101 HE1 HIS 101 -6.542 -54.764 -12.493 716 H HIS 102 H HIS 102 -4.287 -50.473 -16.564 717 HA HIS 102 HA HIS 102 -3.701 -51.956 -18.187 718 1HB HIS 102 1HB HIS 102 -4.605 -53.477 -16.238 719 2HB HIS 102 2HB HIS 102 -5.915 -53.797 -17.371 720 HD1 HIS 102 HD1 HIS 102 -3.686 -53.586 -19.819 721 HD2 HIS 102 HD2 HIS 102 -3.798 -56.186 -16.580 722 HE1 HIS 102 HE1 HIS 102 -2.330 -55.586 -20.515 723 H HIS 103 H HIS 103 -5.462 -49.926 -18.957 724 HA HIS 103 HA HIS 103 -7.507 -51.124 -20.632 725 1HB HIS 103 1HB HIS 103 -8.190 -48.880 -21.136 726 2HB HIS 103 2HB HIS 103 -7.860 -48.959 -19.408 727 HD1 HIS 103 HD1 HIS 103 -7.201 -46.929 -22.274 728 HD2 HIS 103 HD2 HIS 103 -5.082 -47.954 -18.851 729 HE1 HIS 103 HE1 HIS 103 -5.403 -45.185 -22.049 730 H HIS 104 H HIS 104 -7.608 -49.951 -22.930 731 HA HIS 104 HA HIS 104 -5.268 -50.894 -24.326 732 1HB HIS 104 1HB HIS 104 -7.587 -51.274 -25.165 733 2HB HIS 104 2HB HIS 104 -7.729 -49.541 -25.449 734 HD1 HIS 104 HD1 HIS 104 -7.981 -49.789 -27.983 735 HD2 HIS 104 HD2 HIS 104 -4.468 -51.431 -26.491 736 HE1 HIS 104 HE1 HIS 104 -6.559 -50.281 -29.998 Start of MODEL 20 1 1H ALA 1 H ALA 1 -0.326 1.021 -2.183 2 HA ALA 1 HA ALA 1 1.943 0.478 -2.281 3 1HB ALA 1 1HB ALA 1 1.239 -0.855 0.318 4 2HB ALA 1 2HB ALA 1 2.693 0.055 -0.095 5 3HB ALA 1 3HB ALA 1 1.154 0.893 0.101 6 H GLN 2 H GLN 2 0.234 -1.607 -3.531 7 HA GLN 2 HA GLN 2 0.896 -4.193 -2.846 8 1HB GLN 2 1HB GLN 2 -0.732 -3.751 -4.563 9 2HB GLN 2 2HB GLN 2 0.480 -2.987 -5.583 10 1HG GLN 2 1HG GLN 2 0.043 -5.154 -6.453 11 2HG GLN 2 2HG GLN 2 1.649 -5.174 -5.727 12 1HE2 GLN 2 2HE2 GLN 2 1.831 -7.267 -5.187 13 2HE2 GLN 2 1HE2 GLN 2 0.777 -8.096 -4.098 14 H VAL 3 H VAL 3 2.747 -5.263 -2.712 15 HA VAL 3 HA VAL 3 4.952 -4.546 -4.511 16 HB VAL 3 HB VAL 3 5.280 -4.981 -1.539 17 1HG1 VAL 3 1HG1 VAL 3 7.272 -4.424 -3.729 18 2HG1 VAL 3 2HG1 VAL 3 7.636 -4.293 -2.008 19 3HG1 VAL 3 3HG1 VAL 3 7.180 -5.851 -2.698 20 1HG2 VAL 3 1HG2 VAL 3 4.839 -2.812 -1.331 21 2HG2 VAL 3 2HG2 VAL 3 6.288 -2.481 -2.281 22 3HG2 VAL 3 3HG2 VAL 3 4.721 -2.613 -3.080 23 H ASN 4 H ASN 4 5.454 -6.309 -5.620 24 HA ASN 4 HA ASN 4 5.317 -8.917 -4.255 25 1HB ASN 4 1HB ASN 4 3.656 -9.041 -5.901 26 2HB ASN 4 2HB ASN 4 4.608 -8.125 -7.065 27 1HD2 ASN 4 2HD2 ASN 4 4.671 -11.160 -5.240 28 2HD2 ASN 4 1HD2 ASN 4 5.372 -12.105 -6.504 29 H ILE 5 H ILE 5 7.211 -9.878 -3.978 30 HA ILE 5 HA ILE 5 9.388 -9.275 -5.871 31 HB ILE 5 HB ILE 5 9.705 -9.821 -2.918 32 1HG1 ILE 5 1HG1 ILE 5 10.290 -7.215 -4.303 33 2HG1 ILE 5 2HG1 ILE 5 8.685 -7.566 -3.673 34 1HG2 ILE 5 1HG2 ILE 5 11.603 -10.612 -4.156 35 2HG2 ILE 5 2HG2 ILE 5 11.692 -9.106 -5.067 36 3HG2 ILE 5 3HG2 ILE 5 12.051 -9.114 -3.341 37 1HD1 ILE 5 1HD1 ILE 5 11.254 -7.346 -2.134 38 2HD1 ILE 5 2HD1 ILE 5 9.834 -6.305 -2.034 39 3HD1 ILE 5 3HD1 ILE 5 9.753 -7.965 -1.446 40 H ALA 6 H ALA 6 10.607 -10.960 -6.599 41 HA ALA 6 HA ALA 6 9.541 -13.620 -6.130 42 1HB ALA 6 1HB ALA 6 10.495 -12.391 -8.364 43 2HB ALA 6 2HB ALA 6 11.875 -13.378 -7.881 44 3HB ALA 6 3HB ALA 6 10.309 -14.135 -8.171 45 HA PRO 7 HA PRO 7 12.633 -14.589 -3.101 46 1HB PRO 7 1HB PRO 7 12.102 -17.247 -2.944 47 2HB PRO 7 2HB PRO 7 11.072 -16.016 -2.203 48 1HG PRO 7 1HG PRO 7 10.719 -17.471 -4.795 49 2HG PRO 7 2HG PRO 7 9.513 -17.091 -3.552 50 1HD PRO 7 1HD PRO 7 9.763 -15.647 -5.829 51 2HD PRO 7 2HD PRO 7 9.250 -14.924 -4.291 52 H GLY 8 H GLY 8 13.993 -16.941 -2.950 53 1HA GLY 8 1HA GLY 8 15.382 -18.424 -4.225 54 2HA GLY 8 2HA GLY 8 15.290 -17.295 -5.568 55 H SER 9 H SER 9 15.712 -15.531 -2.799 56 HA SER 9 HA SER 9 18.406 -15.828 -2.157 57 1HB SER 9 1HB SER 9 17.909 -14.390 -4.664 58 2HB SER 9 2HB SER 9 18.887 -13.480 -3.513 59 HG SER 9 HG SER 9 20.445 -14.953 -3.638 60 H LEU 10 H LEU 10 18.546 -14.886 -0.240 61 HA LEU 10 HA LEU 10 16.585 -13.123 0.758 62 1HB LEU 10 1HB LEU 10 17.684 -14.462 2.333 63 2HB LEU 10 2HB LEU 10 19.279 -14.000 1.740 64 HG LEU 10 HG LEU 10 17.870 -11.696 2.742 65 1HD1 LEU 10 1HD1 LEU 10 18.420 -13.689 4.894 66 2HD1 LEU 10 2HD1 LEU 10 16.856 -13.684 4.081 67 3HD1 LEU 10 3HD1 LEU 10 17.412 -12.242 4.932 68 1HD2 LEU 10 1HD2 LEU 10 20.185 -11.554 2.554 69 2HD2 LEU 10 2HD2 LEU 10 20.441 -13.132 3.299 70 3HD2 LEU 10 3HD2 LEU 10 19.928 -11.762 4.286 71 H ASP 11 H ASP 11 19.922 -12.580 -0.319 72 HA ASP 11 HA ASP 11 20.112 -9.866 0.277 73 1HB ASP 11 1HB ASP 11 21.972 -11.396 -0.496 74 2HB ASP 11 2HB ASP 11 21.358 -11.193 -2.134 75 H LYS 12 H LYS 12 18.862 -11.473 -2.620 76 HA LYS 12 HA LYS 12 18.374 -9.100 -4.089 77 1HB LYS 12 1HB LYS 12 17.404 -11.934 -4.301 78 2HB LYS 12 2HB LYS 12 16.720 -10.681 -5.328 79 1HG LYS 12 1HG LYS 12 19.517 -10.408 -5.481 80 2HG LYS 12 2HG LYS 12 19.159 -12.130 -5.633 81 1HD LYS 12 1HD LYS 12 17.861 -9.939 -7.252 82 2HD LYS 12 2HD LYS 12 19.186 -10.963 -7.810 83 1HE LYS 12 1HE LYS 12 17.432 -12.842 -6.992 84 2HE LYS 12 2HE LYS 12 16.317 -11.569 -7.486 85 1HZ LYS 12 1HZ LYS 12 17.851 -11.535 -9.583 86 2HZ LYS 12 2HZ LYS 12 16.605 -12.671 -9.446 87 3HZ LYS 12 3HZ LYS 12 18.201 -13.121 -9.109 88 H ALA 13 H ALA 13 16.115 -11.266 -2.373 89 HA ALA 13 HA ALA 13 13.806 -9.782 -2.675 90 1HB ALA 13 1HB ALA 13 13.346 -10.826 -0.260 91 2HB ALA 13 2HB ALA 13 13.312 -11.786 -1.740 92 3HB ALA 13 3HB ALA 13 14.750 -11.790 -0.719 93 H LEU 14 H LEU 14 16.472 -9.297 -0.458 94 HA LEU 14 HA LEU 14 15.178 -7.456 1.264 95 1HB LEU 14 1HB LEU 14 17.067 -8.287 2.234 96 2HB LEU 14 2HB LEU 14 17.973 -8.286 0.723 97 HG LEU 14 HG LEU 14 18.259 -5.850 0.916 98 1HD1 LEU 14 1HD1 LEU 14 16.405 -5.101 2.125 99 2HD1 LEU 14 2HD1 LEU 14 17.760 -4.895 3.234 100 3HD1 LEU 14 3HD1 LEU 14 16.667 -6.265 3.424 101 1HD2 LEU 14 1HD2 LEU 14 19.191 -6.841 3.543 102 2HD2 LEU 14 2HD2 LEU 14 20.082 -6.043 2.247 103 3HD2 LEU 14 3HD2 LEU 14 19.689 -7.758 2.121 104 H ASN 15 H ASN 15 17.475 -6.952 -1.417 105 HA ASN 15 HA ASN 15 17.346 -4.146 -1.396 106 1HB ASN 15 1HB ASN 15 17.876 -5.826 -3.846 107 2HB ASN 15 2HB ASN 15 18.490 -4.215 -3.484 108 1HD2 ASN 15 2HD2 ASN 15 19.801 -6.838 -4.083 109 2HD2 ASN 15 1HD2 ASN 15 20.936 -7.060 -2.799 110 H GLN 16 H GLN 16 15.325 -6.574 -2.895 111 HA GLN 16 HA GLN 16 13.973 -4.987 -4.755 112 1HB GLN 16 1HB GLN 16 12.949 -7.351 -3.173 113 2HB GLN 16 2HB GLN 16 12.165 -6.672 -4.594 114 1HG GLN 16 1HG GLN 16 14.978 -7.389 -4.982 115 2HG GLN 16 2HG GLN 16 13.913 -8.745 -4.618 116 1HE2 GLN 16 2HE2 GLN 16 14.876 -9.068 -6.927 117 2HE2 GLN 16 1HE2 GLN 16 13.841 -8.562 -8.214 118 H TYR 17 H TYR 17 12.952 -5.864 -1.451 119 HA TYR 17 HA TYR 17 10.774 -4.013 -1.469 120 1HB TYR 17 1HB TYR 17 10.195 -4.907 0.560 121 2HB TYR 17 2HB TYR 17 11.209 -6.213 -0.042 122 HD1 TYR 17 HD1 TYR 17 13.309 -6.728 0.990 123 HD2 TYR 17 HD2 TYR 17 11.053 -3.360 2.281 124 HE1 TYR 17 HE1 TYR 17 14.747 -6.534 2.977 125 HE2 TYR 17 HE2 TYR 17 12.485 -3.156 4.271 126 HH TYR 17 HH TYR 17 14.943 -5.561 5.020 127 H ALA 18 H ALA 18 14.064 -3.996 -0.217 128 HA ALA 18 HA ALA 18 13.895 -1.664 1.339 129 1HB ALA 18 1HB ALA 18 16.348 -2.604 -0.130 130 2HB ALA 18 2HB ALA 18 16.270 -1.663 1.360 131 3HB ALA 18 3HB ALA 18 15.757 -3.350 1.355 132 H ALA 19 H ALA 19 14.338 -2.157 -2.095 133 HA ALA 19 HA ALA 19 15.092 0.564 -2.638 134 1HB ALA 19 1HB ALA 19 15.884 -1.183 -4.099 135 2HB ALA 19 2HB ALA 19 14.229 -1.660 -4.481 136 3HB ALA 19 3HB ALA 19 14.838 -0.091 -5.007 137 H HIS 20 H HIS 20 12.129 -1.253 -2.459 138 HA HIS 20 HA HIS 20 10.529 0.678 -3.855 139 1HB HIS 20 1HB HIS 20 8.970 -0.933 -3.805 140 2HB HIS 20 2HB HIS 20 10.183 -1.959 -3.045 141 HD1 HIS 20 HD1 HIS 20 7.367 0.390 -2.093 142 HD2 HIS 20 HD2 HIS 20 9.583 -2.743 -0.500 143 HE1 HIS 20 HE1 HIS 20 6.263 -0.170 0.096 144 H SER 21 H SER 21 11.596 0.208 -0.594 145 HA SER 21 HA SER 21 9.615 1.989 0.540 146 1HB SER 21 1HB SER 21 10.247 0.274 2.024 147 2HB SER 21 2HB SER 21 11.962 0.470 1.661 148 HG SER 21 HG SER 21 11.957 2.395 2.800 149 H GLY 22 H GLY 22 13.188 2.022 0.513 150 1HA GLY 22 1HA GLY 22 14.247 4.027 -0.509 151 2HA GLY 22 2HA GLY 22 13.031 4.969 0.341 152 H PHE 23 H PHE 23 14.253 2.281 2.058 153 HA PHE 23 HA PHE 23 16.005 4.067 3.616 154 1HB PHE 23 1HB PHE 23 15.281 3.107 5.614 155 2HB PHE 23 2HB PHE 23 13.799 3.189 4.667 156 HD1 PHE 23 HD1 PHE 23 15.746 1.150 6.709 157 HD2 PHE 23 HD2 PHE 23 13.353 1.026 3.191 158 HE1 PHE 23 HE1 PHE 23 15.421 -1.269 7.020 159 HE2 PHE 23 HE2 PHE 23 13.023 -1.393 3.497 160 HZ PHE 23 HZ PHE 23 14.057 -2.543 5.414 161 H THR 24 H THR 24 17.634 2.788 4.955 162 HA THR 24 HA THR 24 18.856 0.767 3.204 163 HB THR 24 HB THR 24 20.245 2.293 5.406 164 HG1 THR 24 HG1 THR 24 19.969 2.928 2.641 165 1HG2 THR 24 1HG2 THR 24 21.555 0.442 4.839 166 2HG2 THR 24 2HG2 THR 24 22.220 1.737 3.843 167 3HG2 THR 24 3HG2 THR 24 21.131 0.547 3.131 168 H LEU 25 H LEU 25 19.847 -1.092 4.133 169 HA LEU 25 HA LEU 25 19.090 -1.725 6.890 170 1HB LEU 25 1HB LEU 25 17.359 -2.600 5.319 171 2HB LEU 25 2HB LEU 25 18.608 -3.599 4.580 172 HG LEU 25 HG LEU 25 18.781 -4.282 7.236 173 1HD1 LEU 25 1HD1 LEU 25 16.529 -2.900 7.310 174 2HD1 LEU 25 2HD1 LEU 25 16.739 -4.383 8.240 175 3HD1 LEU 25 3HD1 LEU 25 15.862 -4.419 6.711 176 1HD2 LEU 25 1HD2 LEU 25 18.722 -5.665 5.085 177 2HD2 LEU 25 2HD2 LEU 25 16.972 -5.698 5.304 178 3HD2 LEU 25 3HD2 LEU 25 18.028 -6.385 6.538 179 H SER 26 H SER 26 20.483 -3.092 7.953 180 HA SER 26 HA SER 26 22.785 -4.103 6.424 181 1HB SER 26 1HB SER 26 22.772 -2.114 8.540 182 2HB SER 26 2HB SER 26 23.773 -3.501 8.969 183 HG SER 26 HG SER 26 24.016 -2.412 6.402 184 H VAL 27 H VAL 27 22.381 -6.240 6.475 185 HA VAL 27 HA VAL 27 22.166 -7.498 9.125 186 HB VAL 27 HB VAL 27 19.955 -7.672 8.294 187 1HG1 VAL 27 1HG1 VAL 27 21.285 -8.269 5.684 188 2HG1 VAL 27 2HG1 VAL 27 19.637 -8.824 5.986 189 3HG1 VAL 27 3HG1 VAL 27 20.015 -7.102 6.054 190 1HG2 VAL 27 1HG2 VAL 27 21.231 -9.802 9.083 191 2HG2 VAL 27 2HG2 VAL 27 19.621 -9.956 8.379 192 3HG2 VAL 27 3HG2 VAL 27 21.048 -10.307 7.403 193 H ASP 28 H ASP 28 23.384 -9.297 9.429 194 HA ASP 28 HA ASP 28 25.482 -9.825 7.569 195 1HB ASP 28 1HB ASP 28 25.416 -10.043 10.193 196 2HB ASP 28 2HB ASP 28 24.866 -11.678 9.836 197 H ALA 29 H ALA 29 24.704 -10.642 5.666 198 HA ALA 29 HA ALA 29 22.792 -12.767 5.555 199 1HB ALA 29 1HB ALA 29 23.658 -12.810 3.090 200 2HB ALA 29 2HB ALA 29 22.693 -11.453 3.670 201 3HB ALA 29 3HB ALA 29 24.445 -11.301 3.551 202 H SER 30 H SER 30 26.014 -12.720 6.358 203 HA SER 30 HA SER 30 27.190 -14.846 5.050 204 1HB SER 30 1HB SER 30 28.812 -14.793 6.690 205 2HB SER 30 2HB SER 30 28.061 -13.220 6.953 206 HG SER 30 HG SER 30 28.277 -14.335 8.912 207 H LEU 31 H LEU 31 24.818 -14.874 7.625 208 HA LEU 31 HA LEU 31 25.042 -17.718 8.067 209 1HB LEU 31 1HB LEU 31 22.958 -15.760 9.022 210 2HB LEU 31 2HB LEU 31 23.162 -17.415 9.593 211 HG LEU 31 HG LEU 31 25.575 -16.528 10.212 212 1HD1 LEU 31 1HD1 LEU 31 24.293 -14.170 9.343 213 2HD1 LEU 31 2HD1 LEU 31 25.884 -14.339 10.084 214 3HD1 LEU 31 3HD1 LEU 31 24.467 -14.055 11.094 215 1HD2 LEU 31 1HD2 LEU 31 24.172 -17.458 11.864 216 2HD2 LEU 31 2HD2 LEU 31 23.013 -16.134 11.738 217 3HD2 LEU 31 3HD2 LEU 31 24.602 -15.851 12.452 218 H THR 32 H THR 32 22.868 -15.511 6.387 219 HA THR 32 HA THR 32 20.907 -17.449 5.716 220 HB THR 32 HB THR 32 21.548 -14.825 4.355 221 HG1 THR 32 HG1 THR 32 20.891 -14.437 6.449 222 1HG2 THR 32 1HG2 THR 32 20.088 -15.481 2.798 223 2HG2 THR 32 2HG2 THR 32 18.844 -15.426 4.047 224 3HG2 THR 32 3HG2 THR 32 19.683 -16.938 3.704 225 H ARG 33 H ARG 33 23.955 -16.532 4.323 226 HA ARG 33 HA ARG 33 23.736 -17.318 1.704 227 1HB ARG 33 1HB ARG 33 25.943 -17.265 3.681 228 2HB ARG 33 2HB ARG 33 26.209 -18.243 2.244 229 1HG ARG 33 1HG ARG 33 25.445 -15.330 2.243 230 2HG ARG 33 2HG ARG 33 27.077 -15.961 2.011 231 1HD ARG 33 1HD ARG 33 26.159 -17.272 0.059 232 2HD ARG 33 2HD ARG 33 24.678 -16.331 0.231 233 HE ARG 33 HE ARG 33 25.752 -14.520 -0.686 234 1HH1 ARG 33 2HH1 ARG 33 28.088 -16.965 0.142 235 2HH1 ARG 33 1HH1 ARG 33 29.397 -16.175 -0.671 236 1HH2 ARG 33 2HH2 ARG 33 27.468 -13.470 -1.761 237 2HH2 ARG 33 1HH2 ARG 33 29.044 -14.186 -1.753 238 H GLY 34 H GLY 34 22.649 -19.087 1.068 239 1HA GLY 34 1HA GLY 34 23.517 -21.557 0.800 240 2HA GLY 34 2HA GLY 34 23.045 -21.612 2.492 241 H LYS 35 H LYS 35 20.747 -19.942 2.276 242 HA LYS 35 HA LYS 35 18.992 -21.620 0.605 243 1HB LYS 35 1HB LYS 35 17.249 -21.321 2.362 244 2HB LYS 35 2HB LYS 35 18.642 -22.249 2.901 245 1HG LYS 35 1HG LYS 35 19.524 -20.268 4.029 246 2HG LYS 35 2HG LYS 35 18.122 -19.341 3.491 247 1HD LYS 35 1HD LYS 35 16.652 -20.861 4.737 248 2HD LYS 35 2HD LYS 35 18.063 -21.768 5.286 249 1HE LYS 35 1HE LYS 35 18.891 -19.527 6.221 250 2HE LYS 35 2HE LYS 35 17.236 -18.968 5.986 251 1HZ LYS 35 1HZ LYS 35 18.300 -20.597 8.054 252 2HZ LYS 35 2HZ LYS 35 17.021 -21.386 7.280 253 3HZ LYS 35 3HZ LYS 35 16.784 -19.853 7.953 254 H GLN 36 H GLN 36 16.722 -20.481 0.466 255 HA GLN 36 HA GLN 36 17.255 -17.739 -0.439 256 1HB GLN 36 1HB GLN 36 15.144 -18.036 -1.760 257 2HB GLN 36 2HB GLN 36 16.448 -19.125 -2.212 258 1HG GLN 36 1HG GLN 36 15.419 -20.955 -1.113 259 2HG GLN 36 2HG GLN 36 14.235 -19.904 -0.337 260 1HE2 GLN 36 2HE2 GLN 36 14.694 -22.045 -2.780 261 2HE2 GLN 36 1HE2 GLN 36 13.403 -21.575 -3.827 262 H SER 37 H SER 37 15.048 -16.425 -0.444 263 HA SER 37 HA SER 37 13.799 -16.726 2.204 264 1HB SER 37 1HB SER 37 15.326 -14.938 2.519 265 2HB SER 37 2HB SER 37 14.942 -14.231 0.949 266 HG SER 37 HG SER 37 12.913 -13.667 1.745 267 H ASN 38 H ASN 38 11.637 -16.245 2.343 268 HA ASN 38 HA ASN 38 10.107 -16.442 -0.028 269 1HB ASN 38 1HB ASN 38 9.451 -15.927 2.857 270 2HB ASN 38 2HB ASN 38 8.200 -15.783 1.626 271 1HD2 ASN 38 2HD2 ASN 38 8.713 -17.707 3.878 272 2HD2 ASN 38 1HD2 ASN 38 8.597 -19.266 3.143 273 H GLY 39 H GLY 39 9.700 -14.900 -1.460 274 1HA GLY 39 1HA GLY 39 10.356 -12.187 -1.085 275 2HA GLY 39 2HA GLY 39 9.384 -12.830 -2.400 276 H LEU 40 H LEU 40 8.262 -10.737 -2.124 277 HA LEU 40 HA LEU 40 6.331 -10.814 0.097 278 1HB LEU 40 1HB LEU 40 7.806 -8.830 0.000 279 2HB LEU 40 2HB LEU 40 7.151 -8.456 -1.593 280 HG LEU 40 HG LEU 40 4.958 -8.057 -0.622 281 1HD1 LEU 40 1HD1 LEU 40 6.124 -9.432 1.635 282 2HD1 LEU 40 2HD1 LEU 40 4.432 -9.094 1.271 283 3HD1 LEU 40 3HD1 LEU 40 5.410 -7.892 2.114 284 1HD2 LEU 40 1HD2 LEU 40 6.904 -6.330 -0.630 285 2HD2 LEU 40 2HD2 LEU 40 6.848 -6.533 1.121 286 3HD2 LEU 40 3HD2 LEU 40 5.419 -5.971 0.252 287 H HIS 41 H HIS 41 4.143 -10.065 -0.389 288 HA HIS 41 HA HIS 41 3.267 -9.944 -3.119 289 1HB HIS 41 1HB HIS 41 3.567 -12.481 -2.247 290 2HB HIS 41 2HB HIS 41 1.927 -12.165 -1.688 291 HD1 HIS 41 HD1 HIS 41 2.121 -14.259 -3.762 292 HD2 HIS 41 HD2 HIS 41 1.845 -10.233 -4.748 293 HE1 HIS 41 HE1 HIS 41 1.241 -14.202 -6.117 294 H GLY 42 H GLY 42 2.136 -8.109 -2.748 295 1HA GLY 42 1HA GLY 42 -0.275 -7.603 -2.232 296 2HA GLY 42 2HA GLY 42 0.088 -8.201 -0.620 297 H ASP 43 H ASP 43 -0.944 -5.843 -0.514 298 HA ASP 43 HA ASP 43 1.006 -3.732 -0.802 299 1HB ASP 43 1HB ASP 43 -0.773 -2.286 0.131 300 2HB ASP 43 2HB ASP 43 -1.333 -3.233 -1.245 301 H TYR 44 H TYR 44 2.583 -3.487 0.628 302 HA TYR 44 HA TYR 44 1.949 -3.526 3.472 303 1HB TYR 44 1HB TYR 44 4.140 -5.224 2.260 304 2HB TYR 44 2HB TYR 44 3.912 -4.954 3.984 305 HD1 TYR 44 HD1 TYR 44 3.007 -6.957 1.165 306 HD2 TYR 44 HD2 TYR 44 1.704 -5.720 5.023 307 HE1 TYR 44 HE1 TYR 44 1.470 -8.875 1.255 308 HE2 TYR 44 HE2 TYR 44 0.164 -7.635 5.123 309 HH TYR 44 HH TYR 44 -0.827 -9.267 3.892 310 H ASP 45 H ASP 45 3.075 -2.048 4.617 311 HA ASP 45 HA ASP 45 4.550 -0.063 3.236 312 1HB ASP 45 1HB ASP 45 4.450 -0.517 6.224 313 2HB ASP 45 2HB ASP 45 4.841 0.986 5.391 314 H VAL 46 H VAL 46 6.711 0.667 4.545 315 HA VAL 46 HA VAL 46 8.738 -1.008 3.640 316 HB VAL 46 HB VAL 46 9.253 1.283 4.039 317 1HG1 VAL 46 1HG1 VAL 46 8.789 0.861 6.984 318 2HG1 VAL 46 2HG1 VAL 46 9.118 2.379 6.147 319 3HG1 VAL 46 3HG1 VAL 46 7.583 1.546 5.896 320 1HG2 VAL 46 1HG2 VAL 46 10.978 -0.570 4.567 321 2HG2 VAL 46 2HG2 VAL 46 11.336 1.089 5.047 322 3HG2 VAL 46 3HG2 VAL 46 10.759 -0.071 6.244 323 H GLU 47 H GLU 47 7.500 -0.594 6.951 324 HA GLU 47 HA GLU 47 9.199 -2.622 8.036 325 1HB GLU 47 1HB GLU 47 7.434 -0.634 9.044 326 2HB GLU 47 2HB GLU 47 6.914 -2.182 9.694 327 1HG GLU 47 1HG GLU 47 9.576 -0.838 9.997 328 2HG GLU 47 2HG GLU 47 8.429 -1.299 11.253 329 H SER 48 H SER 48 5.709 -2.457 7.346 330 HA SER 48 HA SER 48 4.985 -5.004 8.129 331 1HB SER 48 1HB SER 48 3.881 -2.945 6.363 332 2HB SER 48 2HB SER 48 3.417 -4.581 5.895 333 HG SER 48 HG SER 48 2.201 -3.253 7.644 334 H GLY 49 H GLY 49 6.033 -3.964 4.883 335 1HA GLY 49 1HA GLY 49 5.990 -6.573 3.768 336 2HA GLY 49 2HA GLY 49 6.804 -5.173 3.086 337 H LEU 50 H LEU 50 8.525 -4.666 5.313 338 HA LEU 50 HA LEU 50 10.739 -6.192 4.631 339 1HB LEU 50 1HB LEU 50 11.321 -4.260 5.698 340 2HB LEU 50 2HB LEU 50 10.035 -4.406 6.895 341 HG LEU 50 HG LEU 50 11.324 -6.063 8.115 342 1HD1 LEU 50 1HD1 LEU 50 12.656 -6.412 5.682 343 2HD1 LEU 50 2HD1 LEU 50 12.983 -7.225 7.212 344 3HD1 LEU 50 3HD1 LEU 50 13.856 -5.751 6.793 345 1HD2 LEU 50 1HD2 LEU 50 12.000 -3.340 7.795 346 2HD2 LEU 50 2HD2 LEU 50 13.509 -4.237 7.961 347 3HD2 LEU 50 3HD2 LEU 50 12.262 -4.372 9.201 348 H GLN 51 H GLN 51 8.692 -6.501 7.533 349 HA GLN 51 HA GLN 51 9.979 -8.817 8.510 350 1HB GLN 51 1HB GLN 51 7.152 -7.885 9.035 351 2HB GLN 51 2HB GLN 51 8.066 -9.027 10.011 352 1HG GLN 51 1HG GLN 51 9.412 -6.466 9.628 353 2HG GLN 51 2HG GLN 51 7.868 -6.347 10.469 354 1HE2 GLN 51 2HE2 GLN 51 10.901 -8.167 10.464 355 2HE2 GLN 51 1HE2 GLN 51 10.977 -8.384 12.176 356 H GLN 52 H GLN 52 7.534 -8.317 6.114 357 HA GLN 52 HA GLN 52 6.519 -10.994 6.130 358 1HB GLN 52 1HB GLN 52 5.855 -8.534 4.873 359 2HB GLN 52 2HB GLN 52 6.092 -9.728 3.604 360 1HG GLN 52 1HG GLN 52 4.208 -9.932 5.941 361 2HG GLN 52 2HG GLN 52 3.779 -9.673 4.250 362 1HE2 GLN 52 2HE2 GLN 52 4.827 -11.427 2.779 363 2HE2 GLN 52 1HE2 GLN 52 4.588 -13.052 3.312 364 H LEU 53 H LEU 53 9.166 -9.351 4.610 365 HA LEU 53 HA LEU 53 9.598 -11.252 2.525 366 1HB LEU 53 1HB LEU 53 10.939 -8.868 3.585 367 2HB LEU 53 2HB LEU 53 12.027 -10.076 2.903 368 HG LEU 53 HG LEU 53 11.654 -8.748 1.076 369 1HD1 LEU 53 1HD1 LEU 53 10.825 -11.160 0.767 370 2HD1 LEU 53 2HD1 LEU 53 10.397 -9.966 -0.458 371 3HD1 LEU 53 3HD1 LEU 53 9.210 -10.451 0.752 372 1HD2 LEU 53 1HD2 LEU 53 10.122 -7.195 2.105 373 2HD2 LEU 53 2HD2 LEU 53 8.817 -8.379 2.031 374 3HD2 LEU 53 3HD2 LEU 53 9.479 -7.701 0.543 375 H LEU 54 H LEU 54 11.338 -10.597 5.570 376 HA LEU 54 HA LEU 54 12.814 -13.067 5.352 377 1HB LEU 54 1HB LEU 54 14.150 -12.252 6.981 378 2HB LEU 54 2HB LEU 54 13.435 -10.728 6.459 379 HG LEU 54 HG LEU 54 13.355 -10.601 8.775 380 1HD1 LEU 54 1HD1 LEU 54 11.014 -10.680 7.384 381 2HD1 LEU 54 2HD1 LEU 54 11.180 -10.166 9.062 382 3HD1 LEU 54 3HD1 LEU 54 10.698 -11.821 8.691 383 1HD2 LEU 54 1HD2 LEU 54 12.023 -13.073 9.480 384 2HD2 LEU 54 2HD2 LEU 54 13.494 -12.355 10.138 385 3HD2 LEU 54 3HD2 LEU 54 13.575 -13.365 8.693 386 H ASP 55 H ASP 55 9.738 -12.342 6.284 387 HA ASP 55 HA ASP 55 9.218 -13.600 8.658 388 1HB ASP 55 1HB ASP 55 7.687 -12.618 6.585 389 2HB ASP 55 2HB ASP 55 7.277 -14.331 6.591 390 H GLY 56 H GLY 56 9.462 -15.592 9.432 391 1HA GLY 56 1HA GLY 56 8.813 -17.999 8.535 392 2HA GLY 56 2HA GLY 56 10.273 -17.715 7.599 393 H SER 57 H SER 57 11.188 -16.090 10.080 394 HA SER 57 HA SER 57 12.006 -18.417 11.691 395 1HB SER 57 1HB SER 57 14.166 -17.106 12.075 396 2HB SER 57 2HB SER 57 13.949 -17.810 10.473 397 HG SER 57 HG SER 57 13.120 -15.172 11.004 398 H GLY 58 H GLY 58 11.264 -14.977 11.620 399 1HA GLY 58 1HA GLY 58 10.169 -13.756 13.276 400 2HA GLY 58 2HA GLY 58 10.347 -15.122 14.367 401 H LEU 59 H LEU 59 11.691 -12.143 13.269 402 HA LEU 59 HA LEU 59 13.610 -12.232 15.478 403 1HB LEU 59 1HB LEU 59 14.227 -11.681 12.598 404 2HB LEU 59 2HB LEU 59 15.213 -10.989 13.884 405 HG LEU 59 HG LEU 59 15.229 -13.604 14.591 406 1HD1 LEU 59 1HD1 LEU 59 13.953 -13.931 12.331 407 2HD1 LEU 59 2HD1 LEU 59 15.226 -15.051 12.812 408 3HD1 LEU 59 3HD1 LEU 59 15.567 -13.783 11.636 409 1HD2 LEU 59 1HD2 LEU 59 17.303 -12.711 14.573 410 2HD2 LEU 59 2HD2 LEU 59 17.023 -11.811 13.082 411 3HD2 LEU 59 3HD2 LEU 59 17.404 -13.533 13.016 412 H GLN 60 H GLN 60 14.657 -9.946 15.690 413 HA GLN 60 HA GLN 60 12.467 -7.992 15.495 414 1HB GLN 60 1HB GLN 60 13.285 -6.945 17.443 415 2HB GLN 60 2HB GLN 60 13.377 -8.669 17.777 416 1HG GLN 60 1HG GLN 60 15.839 -8.085 16.673 417 2HG GLN 60 2HG GLN 60 15.478 -6.679 17.673 418 1HE2 GLN 60 2HE2 GLN 60 15.625 -10.203 17.718 419 2HE2 GLN 60 1HE2 GLN 60 16.047 -10.344 19.387 420 H VAL 61 H VAL 61 12.866 -5.902 14.769 421 HA VAL 61 HA VAL 61 15.473 -5.491 13.454 422 HB VAL 61 HB VAL 61 12.902 -4.351 12.387 423 1HG1 VAL 61 1HG1 VAL 61 15.106 -5.027 10.583 424 2HG1 VAL 61 2HG1 VAL 61 14.148 -3.550 10.703 425 3HG1 VAL 61 3HG1 VAL 61 15.510 -3.811 11.794 426 1HG2 VAL 61 1HG2 VAL 61 13.844 -7.111 12.261 427 2HG2 VAL 61 2HG2 VAL 61 12.258 -6.436 11.886 428 3HG2 VAL 61 3HG2 VAL 61 13.540 -6.397 10.676 429 H LYS 62 H LYS 62 16.538 -3.843 14.306 430 HA LYS 62 HA LYS 62 15.012 -1.515 15.267 431 1HB LYS 62 1HB LYS 62 16.914 -1.265 16.969 432 2HB LYS 62 2HB LYS 62 15.720 -2.522 17.265 433 1HG LYS 62 1HG LYS 62 18.074 -3.360 15.716 434 2HG LYS 62 2HG LYS 62 18.383 -2.901 17.392 435 1HD LYS 62 1HD LYS 62 16.081 -4.699 16.832 436 2HD LYS 62 2HD LYS 62 17.708 -5.374 16.722 437 1HE LYS 62 1HE LYS 62 17.078 -3.729 19.106 438 2HE LYS 62 2HE LYS 62 16.315 -5.315 18.999 439 1HZ LYS 62 1HZ LYS 62 19.228 -4.946 18.632 440 2HZ LYS 62 2HZ LYS 62 18.386 -6.377 18.956 441 3HZ LYS 62 3HZ LYS 62 18.541 -5.197 20.158 442 HA PRO 63 HA PRO 63 17.590 0.778 12.519 443 1HB PRO 63 1HB PRO 63 17.165 3.250 13.558 444 2HB PRO 63 2HB PRO 63 15.958 2.394 12.591 445 1HG PRO 63 1HG PRO 63 16.163 2.655 15.566 446 2HG PRO 63 2HG PRO 63 14.730 2.774 14.528 447 1HD PRO 63 1HD PRO 63 15.332 0.537 15.931 448 2HD PRO 63 2HD PRO 63 14.508 0.486 14.360 449 H LEU 64 H LEU 64 19.505 2.098 12.503 450 HA LEU 64 HA LEU 64 21.035 1.940 15.016 451 1HB LEU 64 1HB LEU 64 22.383 2.103 12.367 452 2HB LEU 64 2HB LEU 64 22.942 1.369 13.868 453 HG LEU 64 HG LEU 64 20.810 0.209 12.076 454 1HD1 LEU 64 1HD1 LEU 64 23.002 0.230 10.985 455 2HD1 LEU 64 2HD1 LEU 64 22.496 -1.406 11.403 456 3HD1 LEU 64 3HD1 LEU 64 23.704 -0.580 12.386 457 1HD2 LEU 64 1HD2 LEU 64 20.328 -0.941 13.932 458 2HD2 LEU 64 2HD2 LEU 64 21.807 -0.429 14.746 459 3HD2 LEU 64 3HD2 LEU 64 21.841 -1.796 13.631 460 H GLY 65 H GLY 65 20.955 3.748 11.936 461 1HA GLY 65 1HA GLY 65 21.612 6.174 13.493 462 2HA GLY 65 2HA GLY 65 22.268 5.867 11.892 463 H ASN 66 H ASN 66 21.267 6.810 10.245 464 HA ASN 66 HA ASN 66 18.969 8.410 10.620 465 1HB ASN 66 1HB ASN 66 20.658 8.936 8.927 466 2HB ASN 66 2HB ASN 66 20.262 7.459 8.054 467 1HD2 ASN 66 2HD2 ASN 66 18.790 7.577 6.511 468 2HD2 ASN 66 1HD2 ASN 66 17.694 8.889 6.261 469 H ASN 67 H ASN 67 19.150 5.979 8.057 470 HA ASN 67 HA ASN 67 16.547 4.929 8.948 471 1HB ASN 67 1HB ASN 67 16.890 6.459 6.697 472 2HB ASN 67 2HB ASN 67 17.027 4.826 6.051 473 1HD2 ASN 67 2HD2 ASN 67 14.939 6.958 5.841 474 2HD2 ASN 67 1HD2 ASN 67 13.466 6.169 6.279 475 H SER 68 H SER 68 19.301 3.954 9.351 476 HA SER 68 HA SER 68 19.412 1.564 7.683 477 1HB SER 68 1HB SER 68 21.466 1.389 9.551 478 2HB SER 68 2HB SER 68 21.608 1.991 7.900 479 HG SER 68 HG SER 68 21.824 3.336 10.222 480 H TRP 69 H TRP 69 18.358 -0.197 8.287 481 HA TRP 69 HA TRP 69 17.925 -0.666 11.163 482 1HB TRP 69 1HB TRP 69 16.288 -1.588 8.790 483 2HB TRP 69 2HB TRP 69 15.980 -2.050 10.462 484 HD1 TRP 69 HD1 TRP 69 16.560 1.417 8.787 485 HE1 TRP 69 HE1 TRP 69 14.684 2.991 9.578 486 HE3 TRP 69 HE3 TRP 69 13.943 -1.850 11.723 487 HZ2 TRP 69 HZ2 TRP 69 12.398 2.865 11.229 488 HZ3 TRP 69 HZ3 TRP 69 11.924 -1.043 12.874 489 HH2 TRP 69 HH2 TRP 69 11.169 1.266 12.631 490 H THR 70 H THR 70 18.203 -2.757 11.993 491 HA THR 70 HA THR 70 19.556 -4.682 10.229 492 HB THR 70 HB THR 70 21.255 -3.453 11.564 493 HG1 THR 70 HG1 THR 70 22.232 -5.315 11.399 494 1HG2 THR 70 1HG2 THR 70 19.964 -2.977 13.559 495 2HG2 THR 70 2HG2 THR 70 21.388 -3.924 13.992 496 3HG2 THR 70 3HG2 THR 70 19.806 -4.699 13.902 497 H LEU 71 H LEU 71 19.508 -6.890 10.997 498 HA LEU 71 HA LEU 71 17.102 -7.421 12.589 499 1HB LEU 71 1HB LEU 71 18.422 -8.728 10.317 500 2HB LEU 71 2HB LEU 71 17.828 -9.831 11.557 501 HG LEU 71 HG LEU 71 16.241 -9.480 9.687 502 1HD1 LEU 71 1HD1 LEU 71 15.506 -8.717 12.489 503 2HD1 LEU 71 2HD1 LEU 71 15.229 -10.238 11.641 504 3HD1 LEU 71 3HD1 LEU 71 14.289 -8.807 11.216 505 1HD2 LEU 71 1HD2 LEU 71 16.242 -6.652 10.726 506 2HD2 LEU 71 2HD2 LEU 71 14.999 -7.312 9.662 507 3HD2 LEU 71 3HD2 LEU 71 16.670 -7.203 9.106 508 H GLU 72 H GLU 72 17.121 -8.789 14.349 509 HA GLU 72 HA GLU 72 19.695 -9.898 15.199 510 1HB GLU 72 1HB GLU 72 18.027 -7.906 16.690 511 2HB GLU 72 2HB GLU 72 18.979 -9.086 17.580 512 1HG GLU 72 1HG GLU 72 20.042 -7.095 15.588 513 2HG GLU 72 2HG GLU 72 20.171 -6.983 17.342 514 HA PRO 73 HA PRO 73 17.379 -13.411 16.440 515 1HB PRO 73 1HB PRO 73 18.767 -14.253 18.616 516 2HB PRO 73 2HB PRO 73 19.380 -14.410 16.966 517 1HG PRO 73 1HG PRO 73 20.019 -12.344 19.035 518 2HG PRO 73 2HG PRO 73 21.112 -13.194 17.928 519 1HD PRO 73 1HD PRO 73 20.247 -10.669 17.468 520 2HD PRO 73 2HD PRO 73 20.594 -11.814 16.156 521 H ALA 74 H ALA 74 15.430 -13.412 17.352 522 HA ALA 74 HA ALA 74 15.011 -11.927 19.847 523 1HB ALA 74 1HB ALA 74 12.558 -12.888 18.805 524 2HB ALA 74 2HB ALA 74 13.143 -11.226 18.880 525 3HB ALA 74 3HB ALA 74 13.490 -12.219 17.464 526 HA PRO 75 HA PRO 75 14.346 -15.494 22.313 527 1HB PRO 75 1HB PRO 75 12.246 -14.752 23.865 528 2HB PRO 75 2HB PRO 75 13.870 -14.082 24.061 529 1HG PRO 75 1HG PRO 75 11.500 -12.920 22.649 530 2HG PRO 75 2HG PRO 75 12.661 -12.123 23.726 531 1HD PRO 75 1HD PRO 75 12.800 -11.922 21.029 532 2HD PRO 75 2HD PRO 75 14.242 -11.903 22.064 533 H ALA 76 H ALA 76 12.812 -17.203 22.890 534 HA ALA 76 HA ALA 76 11.399 -18.207 20.729 535 1HB ALA 76 1HB ALA 76 11.729 -18.905 23.541 536 2HB ALA 76 2HB ALA 76 10.176 -19.408 22.871 537 3HB ALA 76 3HB ALA 76 11.677 -19.939 22.113 538 HA PRO 77 HA PRO 77 7.454 -16.288 20.656 539 1HB PRO 77 1HB PRO 77 5.804 -18.366 20.084 540 2HB PRO 77 2HB PRO 77 6.919 -17.671 18.902 541 1HG PRO 77 1HG PRO 77 7.227 -20.133 20.578 542 2HG PRO 77 2HG PRO 77 7.620 -19.888 18.866 543 1HD PRO 77 1HD PRO 77 9.500 -19.835 20.813 544 2HD PRO 77 2HD PRO 77 9.620 -18.848 19.343 545 H LYS 78 H LYS 78 5.254 -16.302 21.604 546 HA LYS 78 HA LYS 78 4.093 -16.063 23.579 547 1HB LYS 78 1HB LYS 78 3.127 -18.127 24.304 548 2HB LYS 78 2HB LYS 78 3.365 -18.240 22.565 549 1HG LYS 78 1HG LYS 78 5.595 -19.245 24.188 550 2HG LYS 78 2HG LYS 78 4.085 -20.146 24.341 551 1HD LYS 78 1HD LYS 78 4.013 -20.596 22.014 552 2HD LYS 78 2HD LYS 78 5.296 -19.430 21.679 553 1HE LYS 78 1HE LYS 78 6.952 -20.829 22.463 554 2HE LYS 78 2HE LYS 78 5.847 -21.727 23.503 555 1HZ LYS 78 1HZ LYS 78 5.091 -22.028 20.797 556 2HZ LYS 78 2HZ LYS 78 5.551 -23.216 21.910 557 3HZ LYS 78 3HZ LYS 78 6.724 -22.433 20.975 558 H GLU 79 H GLU 79 6.819 -15.563 24.016 559 HA GLU 79 HA GLU 79 7.056 -16.461 26.800 560 1HB GLU 79 1HB GLU 79 8.579 -17.818 25.389 561 2HB GLU 79 2HB GLU 79 9.361 -16.339 24.847 562 1HG GLU 79 1HG GLU 79 10.799 -16.899 26.495 563 2HG GLU 79 2HG GLU 79 9.643 -15.982 27.459 564 H ASP 80 H ASP 80 6.089 -14.308 27.092 565 HA ASP 80 HA ASP 80 8.001 -12.407 27.868 566 1HB ASP 80 1HB ASP 80 7.418 -10.587 26.251 567 2HB ASP 80 2HB ASP 80 8.315 -11.921 25.532 568 H ALA 81 H ALA 81 7.037 -10.474 28.787 569 HA ALA 81 HA ALA 81 4.782 -10.944 30.306 570 1HB ALA 81 1HB ALA 81 5.373 -9.024 31.253 571 2HB ALA 81 2HB ALA 81 6.619 -8.862 30.015 572 3HB ALA 81 3HB ALA 81 5.034 -8.126 29.773 573 H LEU 82 H LEU 82 5.018 -9.179 27.233 574 HA LEU 82 HA LEU 82 2.354 -9.907 26.500 575 1HB LEU 82 1HB LEU 82 2.307 -7.830 28.135 576 2HB LEU 82 2HB LEU 82 2.705 -6.958 26.657 577 HG LEU 82 HG LEU 82 0.338 -8.796 26.766 578 1HD1 LEU 82 1HD1 LEU 82 0.205 -5.866 27.417 579 2HD1 LEU 82 2HD1 LEU 82 0.291 -7.113 28.659 580 3HD1 LEU 82 3HD1 LEU 82 -1.071 -7.077 27.540 581 1HD2 LEU 82 1HD2 LEU 82 0.088 -8.099 24.676 582 2HD2 LEU 82 2HD2 LEU 82 1.545 -7.115 24.821 583 3HD2 LEU 82 3HD2 LEU 82 -0.027 -6.432 25.239 584 H THR 83 H THR 83 2.327 -10.126 24.364 585 HA THR 83 HA THR 83 4.122 -8.442 22.748 586 HB THR 83 HB THR 83 5.130 -10.653 22.905 587 HG1 THR 83 HG1 THR 83 3.897 -10.301 20.358 588 1HG2 THR 83 1HG2 THR 83 2.373 -11.541 22.192 589 2HG2 THR 83 2HG2 THR 83 3.505 -12.215 23.364 590 3HG2 THR 83 3HG2 THR 83 3.744 -12.503 21.641 591 H VAL 84 H VAL 84 3.500 -8.392 20.420 592 HA VAL 84 HA VAL 84 0.579 -8.236 20.200 593 HB VAL 84 HB VAL 84 2.629 -7.064 18.320 594 1HG1 VAL 84 1HG1 VAL 84 0.038 -5.769 18.524 595 2HG1 VAL 84 2HG1 VAL 84 0.918 -6.320 17.097 596 3HG1 VAL 84 3HG1 VAL 84 -0.088 -7.449 18.005 597 1HG2 VAL 84 1HG2 VAL 84 3.100 -5.843 20.199 598 2HG2 VAL 84 2HG2 VAL 84 1.758 -4.901 19.549 599 3HG2 VAL 84 3HG2 VAL 84 1.480 -6.039 20.868 600 H VAL 85 H VAL 85 0.054 -10.361 19.725 601 HA VAL 85 HA VAL 85 1.382 -11.867 17.694 602 HB VAL 85 HB VAL 85 -1.343 -12.346 18.906 603 1HG1 VAL 85 1HG1 VAL 85 -0.618 -14.768 18.295 604 2HG1 VAL 85 2HG1 VAL 85 -1.281 -13.714 17.044 605 3HG1 VAL 85 3HG1 VAL 85 0.462 -13.963 17.157 606 1HG2 VAL 85 1HG2 VAL 85 0.108 -12.362 20.731 607 2HG2 VAL 85 2HG2 VAL 85 0.019 -14.059 20.259 608 3HG2 VAL 85 3HG2 VAL 85 1.420 -13.090 19.802 609 H GLY 86 H GLY 86 0.679 -12.388 15.620 610 1HA GLY 86 1HA GLY 86 -1.520 -12.064 14.217 611 2HA GLY 86 2HA GLY 86 -1.078 -10.375 14.422 612 H ASP 87 H ASP 87 -0.815 -13.015 12.430 613 HA ASP 87 HA ASP 87 0.818 -11.686 10.557 614 1HB ASP 87 1HB ASP 87 2.816 -13.051 10.594 615 2HB ASP 87 2HB ASP 87 2.590 -12.326 12.184 616 H TRP 88 H TRP 88 1.196 -12.974 8.614 617 HA TRP 88 HA TRP 88 0.226 -15.596 8.294 618 1HB TRP 88 1HB TRP 88 -1.969 -14.638 8.694 619 2HB TRP 88 2HB TRP 88 -1.685 -13.399 7.474 620 HD1 TRP 88 HD1 TRP 88 -2.854 -13.905 5.267 621 HE1 TRP 88 HE1 TRP 88 -3.587 -16.021 3.998 622 HE3 TRP 88 HE3 TRP 88 -1.104 -17.445 8.514 623 HZ2 TRP 88 HZ2 TRP 88 -3.443 -18.821 4.330 624 HZ3 TRP 88 HZ3 TRP 88 -1.442 -19.819 7.965 625 HH2 TRP 88 HH2 TRP 88 -2.588 -20.491 5.916 626 H LEU 89 H LEU 89 0.520 -16.381 6.188 627 HA LEU 89 HA LEU 89 2.076 -14.584 4.468 628 1HB LEU 89 1HB LEU 89 3.305 -16.517 5.051 629 2HB LEU 89 2HB LEU 89 1.938 -17.577 4.711 630 HG LEU 89 HG LEU 89 2.203 -17.241 2.342 631 1HD1 LEU 89 1HD1 LEU 89 2.873 -15.116 1.887 632 2HD1 LEU 89 2HD1 LEU 89 4.428 -15.934 1.741 633 3HD1 LEU 89 3HD1 LEU 89 4.022 -15.070 3.224 634 1HD2 LEU 89 1HD2 LEU 89 4.912 -17.749 3.562 635 2HD2 LEU 89 2HD2 LEU 89 4.321 -18.319 2.001 636 3HD2 LEU 89 3HD2 LEU 89 3.609 -18.935 3.493 637 H GLY 90 H GLY 90 0.108 -17.467 3.759 638 1HA GLY 90 1HA GLY 90 -2.108 -16.847 2.620 639 2HA GLY 90 2HA GLY 90 -1.065 -15.978 1.503 640 H ASP 91 H ASP 91 0.428 -17.203 0.204 641 HA ASP 91 HA ASP 91 0.948 -18.895 -1.224 642 1HB ASP 91 1HB ASP 91 -0.007 -20.664 1.039 643 2HB ASP 91 2HB ASP 91 0.975 -21.178 -0.330 644 H ALA 92 H ALA 92 -1.366 -17.743 -1.865 645 HA ALA 92 HA ALA 92 -3.102 -20.005 -2.612 646 1HB ALA 92 1HB ALA 92 -3.771 -17.524 -1.263 647 2HB ALA 92 2HB ALA 92 -4.728 -17.775 -2.723 648 3HB ALA 92 3HB ALA 92 -4.718 -18.999 -1.454 649 H ARG 93 H ARG 93 -2.805 -20.385 -4.708 650 HA ARG 93 HA ARG 93 -2.729 -18.082 -6.542 651 1HB ARG 93 1HB ARG 93 -1.123 -20.637 -6.708 652 2HB ARG 93 2HB ARG 93 -1.238 -19.458 -8.008 653 1HG ARG 93 1HG ARG 93 -0.439 -17.813 -6.096 654 2HG ARG 93 2HG ARG 93 0.218 -19.310 -5.430 655 1HD ARG 93 1HD ARG 93 1.362 -19.724 -7.578 656 2HD ARG 93 2HD ARG 93 0.755 -18.179 -8.174 657 HE ARG 93 HE ARG 93 2.444 -17.155 -7.040 658 1HH1 ARG 93 2HH1 ARG 93 1.896 -20.284 -5.615 659 2HH1 ARG 93 1HH1 ARG 93 3.229 -20.161 -4.515 660 1HH2 ARG 93 2HH2 ARG 93 4.202 -16.982 -5.597 661 2HH2 ARG 93 1HH2 ARG 93 4.540 -18.282 -4.505 662 H GLU 94 H GLU 94 -3.081 -18.996 -8.908 663 HA GLU 94 HA GLU 94 -4.785 -21.249 -9.199 664 1HB GLU 94 1HB GLU 94 -6.185 -19.317 -8.061 665 2HB GLU 94 2HB GLU 94 -6.274 -18.710 -9.708 666 1HG GLU 94 1HG GLU 94 -7.416 -20.621 -10.464 667 2HG GLU 94 2HG GLU 94 -7.038 -21.522 -8.997 668 H ASN 95 H ASN 95 -5.569 -21.501 -11.407 669 HA ASN 95 HA ASN 95 -4.659 -19.654 -13.422 670 1HB ASN 95 1HB ASN 95 -2.660 -21.158 -12.715 671 2HB ASN 95 2HB ASN 95 -3.505 -22.423 -13.602 672 1HD2 ASN 95 2HD2 ASN 95 -1.912 -22.588 -15.153 673 2HD2 ASN 95 1HD2 ASN 95 -1.650 -21.372 -16.351 674 H ASP 96 H ASP 96 -5.135 -20.534 -15.656 675 HA ASP 96 HA ASP 96 -7.348 -22.466 -15.617 676 1HB ASP 96 1HB ASP 96 -7.351 -19.764 -16.975 677 2HB ASP 96 2HB ASP 96 -8.549 -21.021 -17.275 678 H LEU 97 H LEU 97 -8.005 -22.781 -18.118 679 HA LEU 97 HA LEU 97 -5.484 -23.446 -19.485 680 1HB LEU 97 1HB LEU 97 -8.197 -24.732 -19.758 681 2HB LEU 97 2HB LEU 97 -6.738 -25.213 -20.622 682 HG LEU 97 HG LEU 97 -5.817 -25.543 -18.165 683 1HD1 LEU 97 1HD1 LEU 97 -7.307 -25.757 -16.504 684 2HD1 LEU 97 2HD1 LEU 97 -8.514 -26.512 -17.544 685 3HD1 LEU 97 3HD1 LEU 97 -8.336 -24.757 -17.529 686 1HD2 LEU 97 1HD2 LEU 97 -5.693 -27.561 -19.085 687 2HD2 LEU 97 2HD2 LEU 97 -7.065 -27.226 -20.141 688 3HD2 LEU 97 3HD2 LEU 97 -7.336 -27.859 -18.517 689 H GLU 98 H GLU 98 -5.426 -23.283 -21.801 690 HA GLU 98 HA GLU 98 -7.190 -21.154 -22.805 691 1HB GLU 98 1HB GLU 98 -4.605 -20.901 -22.676 692 2HB GLU 98 2HB GLU 98 -4.597 -21.938 -24.096 693 1HG GLU 98 1HG GLU 98 -4.491 -19.595 -24.717 694 2HG GLU 98 2HG GLU 98 -5.983 -20.337 -25.292 695 H HIS 99 H HIS 99 -8.468 -21.499 -24.521 696 HA HIS 99 HA HIS 99 -8.057 -23.948 -26.100 697 1HB HIS 99 1HB HIS 99 -9.947 -24.038 -24.331 698 2HB HIS 99 2HB HIS 99 -10.813 -22.955 -25.417 699 HD1 HIS 99 HD1 HIS 99 -12.530 -25.020 -25.557 700 HD2 HIS 99 HD2 HIS 99 -8.815 -25.594 -27.327 701 HE1 HIS 99 HE1 HIS 99 -12.810 -27.000 -27.082 702 H HIS 100 H HIS 100 -8.089 -23.650 -28.238 703 HA HIS 100 HA HIS 100 -9.699 -21.701 -29.542 704 1HB HIS 100 1HB HIS 100 -7.596 -20.474 -28.500 705 2HB HIS 100 2HB HIS 100 -6.795 -21.120 -29.929 706 HD1 HIS 100 HD1 HIS 100 -8.468 -18.199 -28.840 707 HD2 HIS 100 HD2 HIS 100 -8.455 -20.379 -32.376 708 HE1 HIS 100 HE1 HIS 100 -9.325 -16.624 -30.604 709 H HIS 101 H HIS 101 -10.194 -22.563 -31.442 710 HA HIS 101 HA HIS 101 -8.951 -24.885 -32.441 711 1HB HIS 101 1HB HIS 101 -10.998 -22.973 -33.500 712 2HB HIS 101 2HB HIS 101 -10.308 -24.182 -34.579 713 HD1 HIS 101 HD1 HIS 101 -11.151 -26.551 -34.361 714 HD2 HIS 101 HD2 HIS 101 -12.502 -24.067 -31.317 715 HE1 HIS 101 HE1 HIS 101 -12.891 -27.884 -33.127 716 H HIS 102 H HIS 102 -8.241 -24.965 -34.845 717 HA HIS 102 HA HIS 102 -5.992 -23.135 -35.091 718 1HB HIS 102 1HB HIS 102 -5.119 -24.665 -36.720 719 2HB HIS 102 2HB HIS 102 -5.728 -25.617 -35.370 720 HD1 HIS 102 HD1 HIS 102 -6.309 -24.907 -38.979 721 HD2 HIS 102 HD2 HIS 102 -7.998 -27.184 -35.943 722 HE1 HIS 102 HE1 HIS 102 -7.897 -26.484 -40.126 723 H HIS 103 H HIS 103 -5.761 -21.605 -36.628 724 HA HIS 103 HA HIS 103 -7.522 -21.537 -38.932 725 1HB HIS 103 1HB HIS 103 -8.436 -19.352 -38.488 726 2HB HIS 103 2HB HIS 103 -8.789 -20.389 -37.109 727 HD1 HIS 103 HD1 HIS 103 -6.434 -17.611 -38.135 728 HD2 HIS 103 HD2 HIS 103 -7.870 -19.461 -34.703 729 HE1 HIS 103 HE1 HIS 103 -5.591 -16.219 -36.218 730 H HIS 104 H HIS 104 -6.717 -20.329 -40.632 731 HA HIS 104 HA HIS 104 -3.945 -19.971 -40.768 732 1HB HIS 104 1HB HIS 104 -6.202 -18.969 -42.497 733 2HB HIS 104 2HB HIS 104 -4.514 -18.635 -42.876 734 HD1 HIS 104 HD1 HIS 104 -3.120 -21.212 -42.564 735 HD2 HIS 104 HD2 HIS 104 -6.982 -21.002 -44.081 736 HE1 HIS 104 HE1 HIS 104 -3.440 -23.330 -43.881
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