NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597342 | 2n4e | 25666 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -8.904 29.078 -7.039 2 H2 MET 1 2H MET 1 -8.277 30.468 -7.761 3 H3 MET 1 3H MET 1 -8.074 30.217 -6.105 4 HA MET 1 HA MET 1 -6.051 29.789 -7.337 5 HB2 MET 1 2HB MET 1 -5.552 27.579 -6.356 6 HB3 MET 1 3HB MET 1 -6.458 28.576 -5.228 7 HG2 MET 1 2HG MET 1 -7.629 26.345 -6.911 8 HG3 MET 1 3HG MET 1 -7.205 26.230 -5.201 9 HE1 MET 1 3HE MET 1 -11.166 26.202 -5.215 10 HE2 MET 1 1HE MET 1 -9.722 25.341 -4.680 11 HE3 MET 1 2HE MET 1 -10.088 25.467 -6.402 12 H HIS 2 H HIS 2 -4.947 28.576 -8.952 13 HA HIS 2 HA HIS 2 -6.589 27.733 -11.197 14 HB2 HIS 2 2HB HIS 2 -4.607 29.156 -11.604 15 HB3 HIS 2 3HB HIS 2 -3.554 27.932 -10.901 16 HD1 HIS 2 HD1 HIS 2 -2.627 26.240 -12.475 17 HD2 HIS 2 HD2 HIS 2 -5.895 28.238 -14.086 18 HE1 HIS 2 HE1 HIS 2 -2.814 25.434 -14.845 19 HE2 HIS 2 HE2 HIS 2 -4.676 26.802 -15.839 20 H HIS 3 H HIS 3 -7.517 25.790 -10.647 21 HA HIS 3 HA HIS 3 -6.057 23.558 -9.562 22 HB2 HIS 3 2HB HIS 3 -8.568 24.013 -9.223 23 HB3 HIS 3 3HB HIS 3 -8.818 23.442 -10.868 24 HD1 HIS 3 HD1 HIS 3 -8.670 22.280 -7.453 25 HD2 HIS 3 HD2 HIS 3 -7.834 20.600 -11.160 26 HE1 HIS 3 HE1 HIS 3 -8.649 19.803 -7.082 27 HE2 HIS 3 HE2 HIS 3 -8.325 18.819 -9.372 28 H HIS 4 H HIS 4 -5.032 21.992 -10.647 29 HA HIS 4 HA HIS 4 -5.459 21.276 -13.399 30 HB2 HIS 4 2HB HIS 4 -4.117 23.380 -13.660 31 HB3 HIS 4 3HB HIS 4 -2.863 22.715 -12.626 32 HD1 HIS 4 HD1 HIS 4 -4.418 22.222 -16.048 33 HD2 HIS 4 HD2 HIS 4 -0.961 21.210 -13.974 34 HE1 HIS 4 HE1 HIS 4 -2.862 21.215 -17.756 35 HE2 HIS 4 HE2 HIS 4 -0.746 20.713 -16.484 36 H HIS 5 H HIS 5 -4.139 19.365 -13.955 37 HA HIS 5 HA HIS 5 -2.841 18.036 -11.637 38 HB2 HIS 5 2HB HIS 5 -4.255 16.801 -14.042 39 HB3 HIS 5 3HB HIS 5 -3.194 15.876 -12.986 40 HD1 HIS 5 HD1 HIS 5 -6.050 14.955 -13.200 41 HD2 HIS 5 HD2 HIS 5 -4.789 17.702 -10.347 42 HE1 HIS 5 HE1 HIS 5 -7.728 14.814 -11.338 43 HE2 HIS 5 HE2 HIS 5 -7.007 16.570 -9.694 44 H HIS 6 H HIS 6 -0.757 18.451 -11.771 45 HA HIS 6 HA HIS 6 0.730 17.884 -14.264 46 HB2 HIS 6 2HB HIS 6 0.672 20.357 -13.818 47 HB3 HIS 6 3HB HIS 6 1.395 20.084 -12.238 48 HD1 HIS 6 HD1 HIS 6 3.855 20.485 -12.239 49 HD2 HIS 6 HD2 HIS 6 2.509 19.266 -15.981 50 HE1 HIS 6 HE1 HIS 6 5.866 20.557 -13.747 51 HE2 HIS 6 HE2 HIS 6 4.985 19.957 -16.028 52 H HIS 7 H HIS 7 2.312 16.416 -13.986 53 HA HIS 7 HA HIS 7 2.623 15.046 -11.504 54 HB2 HIS 7 2HB HIS 7 2.734 13.894 -13.692 55 HB3 HIS 7 3HB HIS 7 4.187 14.790 -14.108 56 HD1 HIS 7 HD1 HIS 7 3.002 12.235 -11.553 57 HD2 HIS 7 HD2 HIS 7 6.510 13.502 -13.402 58 HE1 HIS 7 HE1 HIS 7 4.767 10.584 -10.874 59 HE2 HIS 7 HE2 HIS 7 6.895 11.428 -11.926 60 H ARG 8 H ARG 8 3.314 16.601 -10.084 61 HA ARG 8 HA ARG 8 6.022 17.069 -9.583 62 HB2 ARG 8 2HB ARG 8 5.780 18.631 -11.576 63 HB3 ARG 8 3HB ARG 8 4.611 19.565 -10.656 64 HG2 ARG 8 2HG ARG 8 6.762 20.675 -10.572 65 HG3 ARG 8 3HG ARG 8 6.380 20.060 -8.963 66 HD2 ARG 8 2HD ARG 8 7.864 18.094 -9.411 67 HD3 ARG 8 3HD ARG 8 8.289 18.810 -10.971 68 HE ARG 8 HE ARG 8 8.787 20.668 -8.900 69 HH11 ARG 8 1HH1 ARG 8 10.101 17.654 -10.165 70 HH12 ARG 8 2HH1 ARG 8 11.712 17.974 -9.609 71 HH21 ARG 8 1HH2 ARG 8 10.890 21.073 -8.154 72 HH22 ARG 8 2HH2 ARG 8 12.162 19.932 -8.457 73 H SER 9 H SER 9 2.667 17.617 -9.081 74 HA SER 9 HA SER 9 2.817 19.070 -6.587 75 HB2 SER 9 2HB SER 9 0.544 17.536 -7.929 76 HB3 SER 9 3HB SER 9 0.366 18.658 -6.570 77 HG SER 9 HG SER 9 1.549 20.154 -8.150 78 H GLY 10 H GLY 10 0.734 17.254 -5.284 79 HA2 GLY 10 2HA GLY 10 2.512 15.456 -3.869 80 HA3 GLY 10 3HA GLY 10 0.805 15.729 -3.566 81 H ASP 11 H ASP 11 2.759 14.483 -6.265 82 HA ASP 11 HA ASP 11 0.879 12.458 -7.024 83 HB2 ASP 11 2HB ASP 11 3.816 12.846 -7.766 84 HB3 ASP 11 3HB ASP 11 2.743 11.663 -8.507 85 H ILE 12 H ILE 12 0.631 10.572 -6.060 86 HA ILE 12 HA ILE 12 2.538 9.618 -4.015 87 HB ILE 12 HB ILE 12 -0.407 8.949 -4.484 88 HG12 ILE 12 2HG1 ILE 12 0.773 10.649 -2.237 89 HG13 ILE 12 3HG1 ILE 12 0.123 11.333 -3.722 90 HG21 ILE 12 1HG2 ILE 12 1.387 8.153 -2.167 91 HG22 ILE 12 2HG2 ILE 12 0.747 7.076 -3.412 92 HG23 ILE 12 3HG2 ILE 12 -0.351 7.857 -2.276 93 HD11 ILE 12 3HD1 ILE 12 -2.076 10.398 -3.197 94 HD12 ILE 12 1HD1 ILE 12 -1.485 11.479 -1.937 95 HD13 ILE 12 2HD1 ILE 12 -1.431 9.735 -1.693 96 H GLN 13 H GLN 13 3.947 8.275 -4.995 97 HA GLN 13 HA GLN 13 3.172 6.481 -7.161 98 HB2 GLN 13 2HB GLN 13 5.247 7.818 -7.347 99 HB3 GLN 13 3HB GLN 13 5.880 7.074 -5.886 100 HG2 GLN 13 2HG GLN 13 6.001 4.900 -7.011 101 HG3 GLN 13 3HG GLN 13 5.282 5.589 -8.467 102 HE21 GLN 13 1HE2 GLN 13 7.859 4.285 -8.129 103 HE22 GLN 13 2HE2 GLN 13 9.058 5.405 -8.646 104 H VAL 14 H VAL 14 2.155 4.736 -6.465 105 HA VAL 14 HA VAL 14 2.910 3.223 -4.070 106 HB VAL 14 HB VAL 14 0.664 2.692 -6.091 107 HG11 VAL 14 1HG1 VAL 14 -0.314 1.244 -4.343 108 HG12 VAL 14 2HG1 VAL 14 1.068 1.565 -3.293 109 HG13 VAL 14 3HG1 VAL 14 1.295 0.685 -4.806 110 HG21 VAL 14 3HG2 VAL 14 0.465 4.131 -3.416 111 HG22 VAL 14 1HG2 VAL 14 -0.890 3.716 -4.475 112 HG23 VAL 14 2HG2 VAL 14 0.325 4.881 -5.009 113 H GLN 15 H GLN 15 4.382 1.581 -4.287 114 HA GLN 15 HA GLN 15 4.550 0.065 -6.837 115 HB2 GLN 15 2HB GLN 15 6.835 1.037 -5.068 116 HB3 GLN 15 3HB GLN 15 7.038 -0.228 -6.279 117 HG2 GLN 15 2HG GLN 15 6.306 1.381 -8.032 118 HG3 GLN 15 3HG GLN 15 6.218 2.643 -6.803 119 HE21 GLN 15 1HE2 GLN 15 7.905 2.385 -9.239 120 HE22 GLN 15 2HE2 GLN 15 9.531 2.577 -8.684 121 H ASN 16 H ASN 16 4.026 -1.996 -6.522 122 HA ASN 16 HA ASN 16 4.591 -3.319 -3.922 123 HB2 ASN 16 2HB ASN 16 2.165 -3.185 -4.488 124 HB3 ASN 16 3HB ASN 16 2.463 -4.015 -6.008 125 HD21 ASN 16 1HD2 ASN 16 2.113 -4.374 -2.585 126 HD22 ASN 16 2HD2 ASN 16 2.126 -6.099 -2.542 127 H ASN 17 H ASN 17 6.039 -4.934 -3.972 128 HA ASN 17 HA ASN 17 6.775 -6.271 -6.520 129 HB2 ASN 17 2HB ASN 17 8.567 -4.713 -5.574 130 HB3 ASN 17 3HB ASN 17 8.634 -5.731 -4.142 131 HD21 ASN 17 1HD2 ASN 17 10.748 -5.122 -6.020 132 HD22 ASN 17 2HD2 ASN 17 11.289 -6.621 -6.683 133 H ASN 18 H ASN 18 6.567 -8.477 -6.438 134 HA ASN 18 HA ASN 18 5.342 -9.573 -3.984 135 HB2 ASN 18 2HB ASN 18 5.138 -10.600 -6.855 136 HB3 ASN 18 3HB ASN 18 4.199 -11.166 -5.475 137 HD21 ASN 18 1HD2 ASN 18 2.445 -9.919 -4.764 138 HD22 ASN 18 2HD2 ASN 18 1.862 -8.544 -5.634 139 H THR 19 H THR 19 6.130 -11.355 -2.990 140 HA THR 19 HA THR 19 8.511 -12.736 -4.063 141 HB THR 19 HB THR 19 7.215 -13.224 -1.335 142 HG1 THR 19 HG1 THR 19 8.647 -11.047 -2.212 143 HG21 THR 19 3HG2 THR 19 9.484 -13.976 -0.707 144 HG22 THR 19 1HG2 THR 19 10.075 -13.613 -2.323 145 HG23 THR 19 2HG2 THR 19 8.889 -14.904 -2.087 146 H CYS 20 H CYS 20 8.314 -14.854 -4.837 147 HA CYS 20 HA CYS 20 7.337 -16.474 -6.062 148 HB2 CYS 20 2HB CYS 20 4.878 -16.155 -4.283 149 HB3 CYS 20 3HB CYS 20 5.146 -17.466 -5.429 150 H ASN 21 H ASN 21 7.486 -14.007 -7.080 151 HA ASN 21 HA ASN 21 4.978 -12.973 -8.030 152 HB2 ASN 21 2HB ASN 21 6.336 -11.315 -9.252 153 HB3 ASN 21 3HB ASN 21 6.810 -11.422 -7.571 154 HD21 ASN 21 1HD2 ASN 21 8.843 -12.388 -7.062 155 HD22 ASN 21 2HD2 ASN 21 10.098 -12.492 -8.251 156 H GLY 22 H GLY 22 3.850 -13.988 -9.547 157 HA2 GLY 22 2HA GLY 22 5.079 -15.626 -11.641 158 HA3 GLY 22 3HA GLY 22 3.359 -15.434 -11.318 159 H LYS 23 H LYS 23 2.267 -14.275 -12.784 160 HA LYS 23 HA LYS 23 3.588 -12.632 -14.761 161 HB2 LYS 23 2HB LYS 23 0.620 -13.194 -14.286 162 HB3 LYS 23 3HB LYS 23 1.282 -12.342 -15.682 163 HG2 LYS 23 2HG LYS 23 2.488 -14.376 -16.379 164 HG3 LYS 23 3HG LYS 23 1.882 -15.235 -14.958 165 HD2 LYS 23 2HD LYS 23 -0.441 -14.994 -15.800 166 HD3 LYS 23 3HD LYS 23 0.156 -14.109 -17.208 167 HE2 LYS 23 2HE LYS 23 1.415 -16.118 -17.927 168 HE3 LYS 23 3HE LYS 23 0.808 -16.999 -16.523 169 HZ1 LYS 23 3HZ LYS 23 -1.404 -16.835 -17.355 170 HZ2 LYS 23 1HZ LYS 23 -0.427 -17.444 -18.593 171 HZ3 LYS 23 2HZ LYS 23 -0.928 -15.829 -18.628 172 H THR 24 H THR 24 4.487 -11.244 -13.078 173 HA THR 24 HA THR 24 2.689 -9.173 -11.987 174 HB THR 24 HB THR 24 4.810 -8.554 -10.643 175 HG1 THR 24 HG1 THR 24 6.364 -9.665 -11.822 176 HG21 THR 24 3HG2 THR 24 2.935 -9.793 -9.611 177 HG22 THR 24 1HG2 THR 24 4.488 -10.350 -8.989 178 HG23 THR 24 2HG2 THR 24 3.621 -11.314 -10.186 179 H PHE 25 H PHE 25 2.392 -7.715 -13.590 180 HA PHE 25 HA PHE 25 4.262 -7.251 -15.679 181 HB2 PHE 25 2HB PHE 25 1.728 -7.088 -15.872 182 HB3 PHE 25 3HB PHE 25 1.808 -5.568 -14.992 183 HD1 PHE 25 HD1 PHE 25 2.654 -7.270 -18.174 184 HD2 PHE 25 HD2 PHE 25 2.577 -3.519 -16.115 185 HE1 PHE 25 HE1 PHE 25 3.039 -6.085 -20.294 186 HE2 PHE 25 HE2 PHE 25 2.964 -2.346 -18.239 187 HZ PHE 25 HZ PHE 25 3.195 -3.628 -20.331 188 H ASP 26 H ASP 26 3.187 -5.258 -12.887 189 HA ASP 26 HA ASP 26 5.662 -3.803 -12.778 190 HB2 ASP 26 2HB ASP 26 4.892 -1.601 -13.420 191 HB3 ASP 26 3HB ASP 26 4.528 -2.698 -14.738 192 H TYR 27 H TYR 27 2.214 -3.698 -11.849 193 HA TYR 27 HA TYR 27 1.077 -3.188 -9.961 194 HB2 TYR 27 2HB TYR 27 3.578 -4.376 -8.689 195 HB3 TYR 27 3HB TYR 27 2.143 -3.947 -7.767 196 HD1 TYR 27 HD1 TYR 27 2.244 -5.616 -11.132 197 HD2 TYR 27 HD2 TYR 27 1.425 -6.074 -6.963 198 HE1 TYR 27 HE1 TYR 27 1.353 -7.846 -11.552 199 HE2 TYR 27 HE2 TYR 27 0.522 -8.322 -7.386 200 HH TYR 27 HH TYR 27 -0.299 -9.695 -9.159 201 H THR 28 H THR 28 2.446 -1.059 -11.142 202 HA THR 28 HA THR 28 3.197 0.707 -8.882 203 HB THR 28 HB THR 28 4.312 0.782 -11.726 204 HG1 THR 28 HG1 THR 28 4.952 -0.939 -9.995 205 HG21 THR 28 3HG2 THR 28 5.130 2.373 -9.254 206 HG22 THR 28 1HG2 THR 28 4.280 3.027 -10.662 207 HG23 THR 28 2HG2 THR 28 5.930 2.426 -10.825 208 H TYR 29 H TYR 29 1.765 2.332 -8.626 209 HA TYR 29 HA TYR 29 0.285 3.473 -10.922 210 HB2 TYR 29 2HB TYR 29 -1.082 2.652 -8.303 211 HB3 TYR 29 3HB TYR 29 -1.854 3.337 -9.728 212 HD1 TYR 29 HD1 TYR 29 -1.913 1.948 -11.882 213 HD2 TYR 29 HD2 TYR 29 -0.794 0.275 -8.103 214 HE1 TYR 29 HE1 TYR 29 -2.275 -0.315 -12.767 215 HE2 TYR 29 HE2 TYR 29 -1.159 -1.990 -8.998 216 HH TYR 29 HH TYR 29 -2.622 -2.996 -10.916 217 H THR 30 H THR 30 0.341 5.646 -10.833 218 HA THR 30 HA THR 30 1.182 7.005 -8.337 219 HB THR 30 HB THR 30 1.428 8.005 -11.213 220 HG1 THR 30 HG1 THR 30 2.721 6.132 -10.808 221 HG21 THR 30 3HG2 THR 30 2.761 8.993 -8.653 222 HG22 THR 30 1HG2 THR 30 1.451 9.819 -9.509 223 HG23 THR 30 2HG2 THR 30 3.028 9.635 -10.274 224 H VAL 31 H VAL 31 -0.506 7.903 -7.315 225 HA VAL 31 HA VAL 31 -2.775 9.045 -8.856 226 HB VAL 31 HB VAL 31 -4.231 8.545 -6.895 227 HG11 VAL 31 1HG1 VAL 31 -2.831 6.091 -8.028 228 HG12 VAL 31 2HG1 VAL 31 -4.166 6.974 -8.773 229 HG13 VAL 31 3HG1 VAL 31 -4.424 6.110 -7.257 230 HG21 VAL 31 3HG2 VAL 31 -1.829 7.054 -5.748 231 HG22 VAL 31 1HG2 VAL 31 -3.477 6.983 -5.110 232 HG23 VAL 31 2HG2 VAL 31 -2.582 8.503 -5.078 233 H THR 32 H THR 32 -3.151 11.166 -8.605 234 HA THR 32 HA THR 32 -1.734 12.732 -6.569 235 HB THR 32 HB THR 32 -1.794 13.570 -8.905 236 HG1 THR 32 HG1 THR 32 -2.453 14.984 -6.716 237 HG21 THR 32 3HG2 THR 32 -4.788 13.921 -8.500 238 HG22 THR 32 1HG2 THR 32 -4.025 12.766 -9.600 239 HG23 THR 32 2HG2 THR 32 -3.855 14.501 -9.882 240 H THR 33 H THR 33 -4.648 11.063 -6.752 241 HA THR 33 HA THR 33 -5.792 12.555 -4.482 242 HB THR 33 HB THR 33 -7.452 11.687 -6.902 243 HG1 THR 33 HG1 THR 33 -6.146 14.063 -6.293 244 HG21 THR 33 3HG2 THR 33 -8.264 13.308 -4.454 245 HG22 THR 33 1HG2 THR 33 -8.732 11.629 -4.775 246 HG23 THR 33 2HG2 THR 33 -9.295 12.923 -5.832 247 H GLU 34 H GLU 34 -6.705 11.233 -2.948 248 HA GLU 34 HA GLU 34 -6.040 8.462 -2.967 249 HB2 GLU 34 2HB GLU 34 -7.669 10.076 -0.980 250 HB3 GLU 34 3HB GLU 34 -7.161 8.404 -0.729 251 HG2 GLU 34 2HG GLU 34 -4.782 9.129 -0.914 252 HG3 GLU 34 3HG GLU 34 -5.331 10.801 -1.061 253 H SER 35 H SER 35 -8.887 10.119 -3.984 254 HA SER 35 HA SER 35 -10.857 8.144 -3.772 255 HB2 SER 35 2HB SER 35 -10.440 10.128 -6.058 256 HB3 SER 35 3HB SER 35 -11.954 9.306 -5.655 257 HG SER 35 HG SER 35 -11.809 10.360 -3.582 258 H GLU 36 H GLU 36 -8.313 8.622 -6.196 259 HA GLU 36 HA GLU 36 -8.996 6.377 -7.846 260 HB2 GLU 36 2HB GLU 36 -6.538 8.168 -7.724 261 HB3 GLU 36 3HB GLU 36 -6.792 6.945 -8.961 262 HG2 GLU 36 2HG GLU 36 -8.566 9.358 -8.459 263 HG3 GLU 36 3HG GLU 36 -7.381 9.204 -9.753 264 H LEU 37 H LEU 37 -6.729 6.994 -5.219 265 HA LEU 37 HA LEU 37 -5.095 4.764 -5.171 266 HB2 LEU 37 2HB LEU 37 -4.826 6.642 -3.650 267 HB3 LEU 37 3HB LEU 37 -6.375 6.306 -2.906 268 HG LEU 37 HG LEU 37 -5.276 4.024 -2.190 269 HD11 LEU 37 1HD1 LEU 37 -2.859 4.120 -1.803 270 HD12 LEU 37 2HD1 LEU 37 -2.768 5.647 -2.684 271 HD13 LEU 37 3HD1 LEU 37 -3.251 4.167 -3.523 272 HD21 LEU 37 3HD2 LEU 37 -4.501 6.632 -0.861 273 HD22 LEU 37 1HD2 LEU 37 -4.459 5.032 -0.114 274 HD23 LEU 37 2HD2 LEU 37 -5.998 5.726 -0.616 275 H GLN 38 H GLN 38 -8.475 5.023 -4.123 276 HA GLN 38 HA GLN 38 -8.788 2.650 -2.667 277 HB2 GLN 38 2HB GLN 38 -10.807 4.127 -4.428 278 HB3 GLN 38 3HB GLN 38 -11.241 2.857 -3.282 279 HG2 GLN 38 2HG GLN 38 -10.490 4.218 -1.415 280 HG3 GLN 38 3HG GLN 38 -9.874 5.450 -2.516 281 HE21 GLN 38 1HE2 GLN 38 -11.176 7.039 -1.523 282 HE22 GLN 38 2HE2 GLN 38 -12.882 7.117 -1.789 283 H LYS 39 H LYS 39 -9.194 3.233 -6.167 284 HA LYS 39 HA LYS 39 -9.937 0.567 -6.836 285 HB2 LYS 39 2HB LYS 39 -9.053 2.932 -8.516 286 HB3 LYS 39 3HB LYS 39 -9.248 1.347 -9.245 287 HG2 LYS 39 2HG LYS 39 -11.282 2.483 -9.657 288 HG3 LYS 39 3HG LYS 39 -11.627 1.322 -8.378 289 HD2 LYS 39 2HD LYS 39 -12.741 3.401 -7.863 290 HD3 LYS 39 3HD LYS 39 -11.423 3.178 -6.702 291 HE2 LYS 39 2HE LYS 39 -11.516 5.497 -7.497 292 HE3 LYS 39 3HE LYS 39 -10.016 4.729 -8.012 293 HZ1 LYS 39 3HZ LYS 39 -10.977 6.029 -9.791 294 HZ2 LYS 39 1HZ LYS 39 -12.428 5.169 -9.696 295 HZ3 LYS 39 2HZ LYS 39 -11.017 4.393 -10.212 296 H VAL 40 H VAL 40 -6.819 2.238 -6.651 297 HA VAL 40 HA VAL 40 -5.103 0.402 -7.857 298 HB VAL 40 HB VAL 40 -4.632 2.106 -5.356 299 HG11 VAL 40 1HG1 VAL 40 -2.550 0.632 -7.010 300 HG12 VAL 40 2HG1 VAL 40 -2.996 0.286 -5.339 301 HG13 VAL 40 3HG1 VAL 40 -2.195 1.805 -5.739 302 HG21 VAL 40 3HG2 VAL 40 -5.138 3.425 -7.364 303 HG22 VAL 40 1HG2 VAL 40 -3.858 2.596 -8.256 304 HG23 VAL 40 2HG2 VAL 40 -3.450 3.648 -6.896 305 H LEU 41 H LEU 41 -6.163 0.537 -4.438 306 HA LEU 41 HA LEU 41 -4.830 -1.868 -3.687 307 HB2 LEU 41 2HB LEU 41 -6.826 -0.085 -2.280 308 HB3 LEU 41 3HB LEU 41 -6.353 -1.618 -1.571 309 HG LEU 41 HG LEU 41 -5.026 0.058 -0.536 310 HD11 LEU 41 1HD1 LEU 41 -3.244 -1.321 -2.563 311 HD12 LEU 41 2HD1 LEU 41 -3.815 -2.008 -1.040 312 HD13 LEU 41 3HD1 LEU 41 -2.743 -0.616 -1.023 313 HD21 LEU 41 3HD2 LEU 41 -4.169 1.065 -3.255 314 HD22 LEU 41 1HD2 LEU 41 -3.571 1.642 -1.693 315 HD23 LEU 41 2HD2 LEU 41 -5.262 1.873 -2.128 316 H ASN 42 H ASN 42 -8.070 -1.232 -4.893 317 HA ASN 42 HA ASN 42 -9.365 -3.601 -4.083 318 HB2 ASN 42 2HB ASN 42 -9.812 -1.885 -6.564 319 HB3 ASN 42 3HB ASN 42 -10.853 -3.240 -6.140 320 HD21 ASN 42 1HD2 ASN 42 -11.536 -0.436 -6.424 321 HD22 ASN 42 2HD2 ASN 42 -12.185 0.072 -4.907 322 H GLU 43 H GLU 43 -7.667 -2.889 -7.175 323 HA GLU 43 HA GLU 43 -7.900 -5.608 -8.104 324 HB2 GLU 43 2HB GLU 43 -6.609 -4.899 -10.047 325 HB3 GLU 43 3HB GLU 43 -7.876 -3.727 -9.707 326 HG2 GLU 43 2HG GLU 43 -6.301 -2.132 -8.853 327 HG3 GLU 43 3HG GLU 43 -5.001 -3.323 -8.830 328 H LEU 44 H LEU 44 -5.441 -3.700 -6.468 329 HA LEU 44 HA LEU 44 -3.154 -5.260 -7.052 330 HB2 LEU 44 2HB LEU 44 -3.185 -2.877 -6.202 331 HB3 LEU 44 3HB LEU 44 -3.633 -3.491 -4.621 332 HG LEU 44 HG LEU 44 -1.449 -4.715 -4.512 333 HD11 LEU 44 1HD1 LEU 44 -1.046 -5.009 -6.903 334 HD12 LEU 44 2HD1 LEU 44 0.320 -4.228 -6.118 335 HD13 LEU 44 3HD1 LEU 44 -0.796 -3.270 -7.095 336 HD21 LEU 44 3HD2 LEU 44 -1.698 -2.487 -3.488 337 HD22 LEU 44 1HD2 LEU 44 -1.163 -1.729 -4.992 338 HD23 LEU 44 2HD2 LEU 44 -0.058 -2.757 -4.072 339 H LYS 45 H LYS 45 -5.282 -5.161 -4.190 340 HA LYS 45 HA LYS 45 -4.156 -7.069 -2.531 341 HB2 LYS 45 2HB LYS 45 -5.975 -5.618 -1.829 342 HB3 LYS 45 3HB LYS 45 -7.070 -6.326 -3.007 343 HG2 LYS 45 2HG LYS 45 -7.067 -8.447 -1.748 344 HG3 LYS 45 3HG LYS 45 -5.926 -7.762 -0.587 345 HD2 LYS 45 2HD LYS 45 -8.258 -7.728 0.262 346 HD3 LYS 45 3HD LYS 45 -7.575 -6.106 0.128 347 HE2 LYS 45 2HE LYS 45 -8.801 -5.783 -2.009 348 HE3 LYS 45 3HE LYS 45 -9.486 -7.402 -1.853 349 HZ1 LYS 45 3HZ LYS 45 -9.885 -5.216 0.118 350 HZ2 LYS 45 1HZ LYS 45 -10.637 -6.730 0.121 351 HZ3 LYS 45 2HZ LYS 45 -10.982 -5.615 -1.104 352 H ASP 46 H ASP 46 -6.562 -7.513 -5.077 353 HA ASP 46 HA ASP 46 -7.149 -10.219 -4.863 354 HB2 ASP 46 2HB ASP 46 -8.435 -8.602 -6.242 355 HB3 ASP 46 3HB ASP 46 -7.084 -8.451 -7.358 356 H TYR 47 H TYR 47 -4.567 -8.594 -6.658 357 HA TYR 47 HA TYR 47 -3.555 -10.933 -7.986 358 HB2 TYR 47 2HB TYR 47 -2.200 -8.243 -7.501 359 HB3 TYR 47 3HB TYR 47 -1.693 -9.456 -8.669 360 HD1 TYR 47 HD2 TYR 47 -4.836 -9.945 -9.433 361 HD2 TYR 47 HD1 TYR 47 -2.204 -6.566 -9.325 362 HE1 TYR 47 HE2 TYR 47 -6.189 -8.830 -11.156 363 HE2 TYR 47 HE1 TYR 47 -3.560 -5.456 -11.040 364 HH TYR 47 HH TYR 47 -5.130 -5.962 -12.772 365 H ILE 48 H ILE 48 -2.440 -9.010 -5.167 366 HA ILE 48 HA ILE 48 -0.014 -10.255 -4.626 367 HB ILE 48 HB ILE 48 -1.981 -9.005 -2.654 368 HG12 ILE 48 2HG1 ILE 48 0.486 -7.732 -3.936 369 HG13 ILE 48 3HG1 ILE 48 -1.156 -7.499 -4.525 370 HG21 ILE 48 1HG2 ILE 48 -0.035 -8.684 -1.143 371 HG22 ILE 48 2HG2 ILE 48 0.963 -9.620 -2.258 372 HG23 ILE 48 3HG2 ILE 48 -0.387 -10.391 -1.424 373 HD11 ILE 48 3HD1 ILE 48 -1.780 -6.457 -2.400 374 HD12 ILE 48 1HD1 ILE 48 -0.435 -5.622 -3.176 375 HD13 ILE 48 2HD1 ILE 48 -0.132 -6.685 -1.803 376 H LYS 49 H LYS 49 -3.288 -11.239 -3.763 377 HA LYS 49 HA LYS 49 -2.751 -13.314 -1.957 378 HB2 LYS 49 2HB LYS 49 -4.991 -12.287 -2.479 379 HB3 LYS 49 3HB LYS 49 -5.019 -13.212 -3.977 380 HG2 LYS 49 2HG LYS 49 -4.991 -15.312 -2.701 381 HG3 LYS 49 3HG LYS 49 -4.890 -14.401 -1.187 382 HD2 LYS 49 2HD LYS 49 -7.101 -13.366 -1.674 383 HD3 LYS 49 3HD LYS 49 -7.203 -14.305 -3.168 384 HE2 LYS 49 2HE LYS 49 -7.122 -16.392 -1.807 385 HE3 LYS 49 3HE LYS 49 -7.122 -15.401 -0.345 386 HZ1 LYS 49 3HZ LYS 49 -9.276 -15.405 -2.395 387 HZ2 LYS 49 1HZ LYS 49 -9.274 -14.533 -0.945 388 HZ3 LYS 49 2HZ LYS 49 -9.337 -16.221 -0.917 389 H LYS 50 H LYS 50 -2.905 -13.379 -5.525 390 HA LYS 50 HA LYS 50 -2.274 -16.217 -5.701 391 HB2 LYS 50 2HB LYS 50 -2.884 -14.030 -7.688 392 HB3 LYS 50 3HB LYS 50 -2.014 -15.427 -8.273 393 HG2 LYS 50 2HG LYS 50 -4.174 -16.104 -8.720 394 HG3 LYS 50 3HG LYS 50 -3.973 -16.790 -7.110 395 HD2 LYS 50 2HD LYS 50 -6.131 -15.740 -7.155 396 HD3 LYS 50 3HD LYS 50 -5.092 -14.690 -6.183 397 HE2 LYS 50 2HE LYS 50 -4.814 -13.161 -8.072 398 HE3 LYS 50 3HE LYS 50 -5.709 -14.257 -9.131 399 HZ1 LYS 50 3HZ LYS 50 -7.111 -12.470 -8.396 400 HZ2 LYS 50 1HZ LYS 50 -6.809 -12.832 -6.771 401 HZ3 LYS 50 2HZ LYS 50 -7.660 -13.923 -7.739 402 H GLN 51 H GLN 51 -0.574 -13.185 -6.553 403 HA GLN 51 HA GLN 51 1.983 -14.556 -6.830 404 HB2 GLN 51 2HB GLN 51 1.246 -11.621 -7.274 405 HB3 GLN 51 3HB GLN 51 2.853 -12.299 -7.514 406 HG2 GLN 51 2HG GLN 51 1.959 -12.212 -9.684 407 HG3 GLN 51 3HG GLN 51 1.756 -13.895 -9.213 408 HE21 GLN 51 1HE2 GLN 51 0.036 -14.352 -10.542 409 HE22 GLN 51 2HE2 GLN 51 -1.519 -13.625 -10.402 410 H GLY 52 H GLY 52 2.050 -15.248 -4.659 411 HA2 GLY 52 2HA GLY 52 3.577 -13.975 -2.804 412 HA3 GLY 52 3HA GLY 52 1.950 -13.412 -2.432 413 H CYS 53 H CYS 53 4.190 -15.995 -2.113 414 HA CYS 53 HA CYS 53 2.416 -18.138 -1.511 415 HB2 CYS 53 2HB CYS 53 5.320 -17.665 -0.730 416 HB3 CYS 53 3HB CYS 53 4.451 -19.155 -0.373 417 H LYS 54 H LYS 54 4.021 -15.712 0.484 418 HA LYS 54 HA LYS 54 2.078 -16.159 2.666 419 HB2 LYS 54 2HB LYS 54 5.075 -15.674 2.928 420 HB3 LYS 54 3HB LYS 54 3.965 -15.414 4.262 421 HG2 LYS 54 2HG LYS 54 4.088 -18.113 2.906 422 HG3 LYS 54 3HG LYS 54 5.309 -17.654 4.089 423 HD2 LYS 54 2HD LYS 54 3.684 -18.884 5.308 424 HD3 LYS 54 3HD LYS 54 3.389 -17.198 5.722 425 HE2 LYS 54 2HE LYS 54 1.530 -17.203 4.000 426 HE3 LYS 54 3HE LYS 54 1.787 -18.941 3.825 427 HZ1 LYS 54 3HZ LYS 54 -0.007 -18.463 5.351 428 HZ2 LYS 54 1HZ LYS 54 1.021 -17.548 6.335 429 HZ3 LYS 54 2HZ LYS 54 1.269 -19.213 6.168 430 H ARG 55 H ARG 55 4.285 -13.887 0.991 431 HA ARG 55 HA ARG 55 2.578 -11.643 1.676 432 HB2 ARG 55 2HB ARG 55 4.062 -10.434 3.037 433 HB3 ARG 55 3HB ARG 55 4.176 -12.068 3.666 434 HG2 ARG 55 2HG ARG 55 6.200 -10.729 1.837 435 HG3 ARG 55 3HG ARG 55 6.356 -10.903 3.579 436 HD2 ARG 55 2HD ARG 55 6.473 -13.351 3.324 437 HD3 ARG 55 3HD ARG 55 6.300 -13.184 1.570 438 HE ARG 55 HE ARG 55 8.481 -11.628 2.603 439 HH11 ARG 55 1HH1 ARG 55 7.638 -14.931 1.676 440 HH12 ARG 55 2HH1 ARG 55 9.277 -15.369 1.328 441 HH21 ARG 55 1HH2 ARG 55 10.599 -12.222 2.088 442 HH22 ARG 55 2HH2 ARG 55 10.955 -13.834 1.560 443 H SER 56 H SER 56 3.245 -9.636 0.730 444 HA SER 56 HA SER 56 5.436 -9.611 -1.228 445 HB2 SER 56 2HB SER 56 2.631 -8.514 -1.758 446 HB3 SER 56 3HB SER 56 4.030 -8.314 -2.821 447 HG SER 56 HG SER 56 2.420 -10.536 -2.402 448 H ARG 57 H ARG 57 6.291 -7.459 -1.536 449 HA ARG 57 HA ARG 57 6.016 -5.717 0.807 450 HB2 ARG 57 2HB ARG 57 8.275 -6.527 -0.076 451 HB3 ARG 57 3HB ARG 57 8.026 -5.495 -1.480 452 HG2 ARG 57 2HG ARG 57 7.959 -3.509 0.017 453 HG3 ARG 57 3HG ARG 57 8.222 -4.567 1.409 454 HD2 ARG 57 2HD ARG 57 10.129 -4.055 -0.893 455 HD3 ARG 57 3HD ARG 57 10.331 -3.558 0.790 456 HE ARG 57 HE ARG 57 10.289 -6.398 -0.063 457 HH11 ARG 57 1HH1 ARG 57 11.801 -3.834 1.815 458 HH12 ARG 57 2HH1 ARG 57 12.972 -4.891 2.530 459 HH21 ARG 57 1HH2 ARG 57 11.818 -7.755 0.869 460 HH22 ARG 57 2HH2 ARG 57 12.979 -7.124 1.992 461 H THR 58 H THR 58 5.576 -3.518 0.639 462 HA THR 58 HA THR 58 4.908 -2.315 -1.958 463 HB THR 58 HB THR 58 3.116 -1.953 0.500 464 HG1 THR 58 HG1 THR 58 3.170 -3.994 -1.296 465 HG21 THR 58 3HG2 THR 58 2.664 -1.230 -2.429 466 HG22 THR 58 1HG2 THR 58 3.073 -0.080 -1.143 467 HG23 THR 58 2HG2 THR 58 1.536 -0.943 -1.104 468 H SER 59 H SER 59 5.454 -0.093 -2.014 469 HA SER 59 HA SER 59 6.007 1.324 0.485 470 HB2 SER 59 2HB SER 59 8.231 0.438 -0.321 471 HB3 SER 59 3HB SER 59 8.026 1.362 -1.810 472 HG SER 59 HG SER 59 8.715 3.048 -0.769 473 H ILE 60 H ILE 60 5.054 3.212 0.418 474 HA ILE 60 HA ILE 60 3.971 4.286 -2.130 475 HB ILE 60 HB ILE 60 2.782 4.131 0.675 476 HG12 ILE 60 2HG1 ILE 60 1.811 3.144 -2.042 477 HG13 ILE 60 3HG1 ILE 60 2.386 2.158 -0.703 478 HG21 ILE 60 1HG2 ILE 60 1.632 5.796 -1.587 479 HG22 ILE 60 2HG2 ILE 60 2.409 6.435 -0.139 480 HG23 ILE 60 3HG2 ILE 60 0.908 5.532 0.003 481 HD11 ILE 60 3HD1 ILE 60 -0.006 2.023 -0.886 482 HD12 ILE 60 1HD1 ILE 60 -0.163 3.776 -0.764 483 HD13 ILE 60 2HD1 ILE 60 0.423 2.840 0.615 484 H THR 61 H THR 61 4.460 6.402 -2.590 485 HA THR 61 HA THR 61 6.308 7.850 -0.953 486 HB THR 61 HB THR 61 4.729 8.949 -3.321 487 HG1 THR 61 HG1 THR 61 6.746 7.083 -3.234 488 HG21 THR 61 3HG2 THR 61 7.383 9.783 -2.071 489 HG22 THR 61 1HG2 THR 61 5.868 10.696 -2.021 490 HG23 THR 61 2HG2 THR 61 6.707 10.456 -3.552 491 H ALA 62 H ALA 62 5.512 8.495 0.971 492 HA ALA 62 HA ALA 62 3.049 10.096 1.187 493 HB1 ALA 62 3HB ALA 62 3.458 8.383 2.908 494 HB2 ALA 62 1HB ALA 62 3.511 9.996 3.627 495 HB3 ALA 62 2HB ALA 62 5.012 9.120 3.299 496 H ARG 63 H ARG 63 3.160 12.315 1.240 497 HA ARG 63 HA ARG 63 5.756 13.617 0.945 498 HB2 ARG 63 2HB ARG 63 2.929 14.749 0.929 499 HB3 ARG 63 3HB ARG 63 4.388 15.678 0.581 500 HG2 ARG 63 2HG ARG 63 3.280 13.356 -1.037 501 HG3 ARG 63 3HG ARG 63 3.334 15.059 -1.509 502 HD2 ARG 63 2HD ARG 63 5.837 14.959 -1.440 503 HD3 ARG 63 3HD ARG 63 5.728 13.236 -1.072 504 HE ARG 63 HE ARG 63 5.097 12.792 -3.258 505 HH11 ARG 63 1HH1 ARG 63 5.391 16.271 -2.789 506 HH12 ARG 63 2HH1 ARG 63 5.361 16.613 -4.490 507 HH21 ARG 63 1HH2 ARG 63 5.040 13.268 -5.465 508 HH22 ARG 63 2HH2 ARG 63 5.163 14.914 -6.001 509 H THR 64 H THR 64 3.321 13.150 3.358 510 HA THR 64 HA THR 64 5.177 14.214 5.385 511 HB THR 64 HB THR 64 3.156 14.857 6.770 512 HG1 THR 64 HG1 THR 64 1.815 14.376 4.311 513 HG21 THR 64 3HG2 THR 64 2.678 16.996 5.605 514 HG22 THR 64 1HG2 THR 64 3.450 16.365 4.146 515 HG23 THR 64 2HG2 THR 64 4.406 16.633 5.608 516 H LYS 65 H LYS 65 5.147 13.024 7.355 517 HA LYS 65 HA LYS 65 4.727 10.221 7.094 518 HB2 LYS 65 2HB LYS 65 5.486 10.094 9.448 519 HB3 LYS 65 3HB LYS 65 6.531 11.125 8.474 520 HG2 LYS 65 2HG LYS 65 5.329 13.129 9.399 521 HG3 LYS 65 3HG LYS 65 4.430 12.045 10.464 522 HD2 LYS 65 2HD LYS 65 6.284 13.035 11.687 523 HD3 LYS 65 3HD LYS 65 6.574 11.307 11.491 524 HE2 LYS 65 2HE LYS 65 8.128 11.791 9.624 525 HE3 LYS 65 3HE LYS 65 7.828 13.520 9.825 526 HZ1 LYS 65 3HZ LYS 65 9.036 11.721 11.862 527 HZ2 LYS 65 1HZ LYS 65 8.761 13.379 12.054 528 HZ3 LYS 65 2HZ LYS 65 9.875 12.834 10.907 529 H LYS 66 H LYS 66 2.675 12.792 8.126 530 HA LYS 66 HA LYS 66 0.769 11.431 9.695 531 HB2 LYS 66 2HB LYS 66 0.947 13.957 9.393 532 HB3 LYS 66 3HB LYS 66 0.252 13.764 7.789 533 HG2 LYS 66 2HG LYS 66 -1.538 14.432 9.236 534 HG3 LYS 66 3HG LYS 66 -1.781 12.717 8.883 535 HD2 LYS 66 2HD LYS 66 -0.537 12.255 11.109 536 HD3 LYS 66 3HD LYS 66 -0.751 13.975 11.457 537 HE2 LYS 66 2HE LYS 66 -2.534 12.711 12.523 538 HE3 LYS 66 3HE LYS 66 -3.230 13.654 11.201 539 HZ1 LYS 66 3HZ LYS 66 -3.240 11.691 9.820 540 HZ2 LYS 66 1HZ LYS 66 -4.050 11.354 11.264 541 HZ3 LYS 66 2HZ LYS 66 -2.479 10.781 11.021 542 H GLU 67 H GLU 67 1.148 11.874 6.205 543 HA GLU 67 HA GLU 67 -1.207 10.456 5.402 544 HB2 GLU 67 2HB GLU 67 1.308 11.125 3.810 545 HB3 GLU 67 3HB GLU 67 -0.195 10.508 3.119 546 HG2 GLU 67 2HG GLU 67 -1.392 12.516 3.805 547 HG3 GLU 67 3HG GLU 67 0.043 13.134 4.624 548 H ALA 68 H ALA 68 2.214 9.616 5.840 549 HA ALA 68 HA ALA 68 2.286 7.029 4.816 550 HB1 ALA 68 3HB ALA 68 4.289 8.264 5.560 551 HB2 ALA 68 1HB ALA 68 4.223 6.653 6.280 552 HB3 ALA 68 2HB ALA 68 3.791 8.069 7.242 553 H GLU 69 H GLU 69 1.045 8.171 7.911 554 HA GLU 69 HA GLU 69 0.702 5.689 9.225 555 HB2 GLU 69 2HB GLU 69 -0.730 8.343 9.591 556 HB3 GLU 69 3HB GLU 69 -0.909 6.971 10.685 557 HG2 GLU 69 2HG GLU 69 1.496 7.079 11.220 558 HG3 GLU 69 3HG GLU 69 1.677 8.455 10.127 559 H LYS 70 H LYS 70 -1.574 7.642 7.255 560 HA LYS 70 HA LYS 70 -3.757 5.819 7.758 561 HB2 LYS 70 2HB LYS 70 -5.096 7.295 6.260 562 HB3 LYS 70 3HB LYS 70 -4.343 8.133 7.609 563 HG2 LYS 70 2HG LYS 70 -2.550 8.924 6.007 564 HG3 LYS 70 3HG LYS 70 -3.509 8.229 4.692 565 HD2 LYS 70 2HD LYS 70 -5.393 9.703 5.243 566 HD3 LYS 70 3HD LYS 70 -4.521 10.351 6.635 567 HE2 LYS 70 2HE LYS 70 -4.429 11.930 4.772 568 HE3 LYS 70 3HE LYS 70 -2.816 11.297 5.098 569 HZ1 LYS 70 3HZ LYS 70 -3.072 9.787 3.236 570 HZ2 LYS 70 1HZ LYS 70 -3.306 11.382 2.727 571 HZ3 LYS 70 2HZ LYS 70 -4.632 10.359 2.946 572 H PHE 71 H PHE 71 -1.456 6.299 5.095 573 HA PHE 71 HA PHE 71 -2.706 4.390 3.339 574 HB2 PHE 71 2HB PHE 71 0.115 5.538 3.403 575 HB3 PHE 71 3HB PHE 71 -0.354 4.292 2.250 576 HD1 PHE 71 HD2 PHE 71 -1.497 7.625 3.425 577 HD2 PHE 71 HD1 PHE 71 -1.142 5.003 0.134 578 HE1 PHE 71 HE2 PHE 71 -2.292 9.411 1.954 579 HE2 PHE 71 HE1 PHE 71 -1.942 6.779 -1.357 580 HZ PHE 71 HZ PHE 71 -2.516 8.984 -0.453 581 H ALA 72 H ALA 72 -0.367 4.201 5.982 582 HA ALA 72 HA ALA 72 0.307 1.461 5.749 583 HB1 ALA 72 3HB ALA 72 0.940 1.573 8.110 584 HB2 ALA 72 1HB ALA 72 0.091 3.113 8.287 585 HB3 ALA 72 2HB ALA 72 1.512 3.004 7.252 586 H ALA 73 H ALA 73 -2.355 3.153 7.430 587 HA ALA 73 HA ALA 73 -3.557 0.894 8.619 588 HB1 ALA 73 3HB ALA 73 -5.546 2.323 8.904 589 HB2 ALA 73 1HB ALA 73 -4.874 3.502 7.771 590 HB3 ALA 73 2HB ALA 73 -4.073 3.204 9.315 591 H ILE 74 H ILE 74 -3.757 2.232 5.393 592 HA ILE 74 HA ILE 74 -5.960 0.662 4.432 593 HB ILE 74 HB ILE 74 -3.808 2.277 2.976 594 HG12 ILE 74 2HG1 ILE 74 -6.780 2.875 3.360 595 HG13 ILE 74 3HG1 ILE 74 -5.513 3.519 4.393 596 HG21 ILE 74 1HG2 ILE 74 -6.266 0.907 1.809 597 HG22 ILE 74 2HG2 ILE 74 -4.582 0.503 1.468 598 HG23 ILE 74 3HG2 ILE 74 -5.238 2.053 0.940 599 HD11 ILE 74 3HD1 ILE 74 -4.555 4.715 2.494 600 HD12 ILE 74 1HD1 ILE 74 -6.243 5.144 2.761 601 HD13 ILE 74 2HD1 ILE 74 -5.814 4.059 1.441 602 H LEU 75 H LEU 75 -2.391 0.384 4.147 603 HA LEU 75 HA LEU 75 -2.422 -1.915 2.459 604 HB2 LEU 75 2HB LEU 75 -0.210 -0.682 4.138 605 HB3 LEU 75 3HB LEU 75 0.051 -2.041 3.053 606 HG LEU 75 HG LEU 75 -0.886 0.726 2.184 607 HD11 LEU 75 1HD1 LEU 75 1.431 0.782 2.955 608 HD12 LEU 75 2HD1 LEU 75 1.350 0.993 1.209 609 HD13 LEU 75 3HD1 LEU 75 1.845 -0.562 1.886 610 HD21 LEU 75 3HD2 LEU 75 -0.499 -0.084 -0.107 611 HD22 LEU 75 1HD2 LEU 75 -1.751 -1.014 0.711 612 HD23 LEU 75 2HD2 LEU 75 -0.134 -1.697 0.514 613 H ILE 76 H ILE 76 -1.939 -1.503 5.955 614 HA ILE 76 HA ILE 76 -1.596 -4.167 6.727 615 HB ILE 76 HB ILE 76 -2.544 -1.671 8.147 616 HG12 ILE 76 2HG1 ILE 76 -0.678 -2.193 9.717 617 HG13 ILE 76 3HG1 ILE 76 -0.386 -3.707 8.873 618 HG21 ILE 76 1HG2 ILE 76 -4.161 -3.277 9.037 619 HG22 ILE 76 2HG2 ILE 76 -2.990 -2.842 10.283 620 HG23 ILE 76 3HG2 ILE 76 -2.860 -4.396 9.452 621 HD11 ILE 76 3HD1 ILE 76 0.248 -2.430 6.869 622 HD12 ILE 76 1HD1 ILE 76 1.254 -2.063 8.270 623 HD13 ILE 76 2HD1 ILE 76 -0.007 -0.935 7.774 624 H LYS 77 H LYS 77 -4.548 -2.252 6.152 625 HA LYS 77 HA LYS 77 -6.473 -4.153 6.968 626 HB2 LYS 77 2HB LYS 77 -6.927 -1.714 6.587 627 HB3 LYS 77 3HB LYS 77 -6.760 -1.968 4.858 628 HG2 LYS 77 2HG LYS 77 -8.721 -3.464 4.868 629 HG3 LYS 77 3HG LYS 77 -8.881 -3.254 6.615 630 HD2 LYS 77 2HD LYS 77 -9.152 -1.053 4.527 631 HD3 LYS 77 3HD LYS 77 -10.486 -1.844 5.368 632 HE2 LYS 77 2HE LYS 77 -9.606 -0.954 7.530 633 HE3 LYS 77 3HE LYS 77 -8.334 -0.111 6.640 634 HZ1 LYS 77 3HZ LYS 77 -10.042 1.142 5.468 635 HZ2 LYS 77 1HZ LYS 77 -10.178 1.354 7.139 636 HZ3 LYS 77 2HZ LYS 77 -11.257 0.339 6.328 637 H VAL 78 H VAL 78 -5.034 -3.462 3.818 638 HA VAL 78 HA VAL 78 -6.542 -5.167 2.176 639 HB VAL 78 HB VAL 78 -3.842 -3.796 1.931 640 HG11 VAL 78 1HG1 VAL 78 -5.011 -5.594 -0.213 641 HG12 VAL 78 2HG1 VAL 78 -3.498 -5.855 0.653 642 HG13 VAL 78 3HG1 VAL 78 -3.661 -4.481 -0.443 643 HG21 VAL 78 3HG2 VAL 78 -5.028 -2.484 0.205 644 HG22 VAL 78 1HG2 VAL 78 -5.898 -2.445 1.737 645 HG23 VAL 78 2HG2 VAL 78 -6.466 -3.478 0.423 646 H TYR 79 H TYR 79 -3.326 -5.694 3.651 647 HA TYR 79 HA TYR 79 -3.131 -8.427 2.797 648 HB2 TYR 79 2HB TYR 79 -1.523 -6.732 4.731 649 HB3 TYR 79 3HB TYR 79 -1.185 -8.440 4.512 650 HD1 TYR 79 HD2 TYR 79 -1.394 -5.207 2.602 651 HD2 TYR 79 HD1 TYR 79 0.267 -9.144 2.773 652 HE1 TYR 79 HE2 TYR 79 0.086 -4.658 0.722 653 HE2 TYR 79 HE1 TYR 79 1.751 -8.594 0.892 654 HH TYR 79 HH TYR 79 2.255 -5.424 -0.197 655 H ALA 80 H ALA 80 -4.638 -6.853 5.518 656 HA ALA 80 HA ALA 80 -4.776 -9.110 7.283 657 HB1 ALA 80 3HB ALA 80 -6.520 -6.630 7.207 658 HB2 ALA 80 1HB ALA 80 -5.023 -6.821 8.125 659 HB3 ALA 80 2HB ALA 80 -6.436 -7.800 8.530 660 H GLU 81 H GLU 81 -6.719 -7.905 4.635 661 HA GLU 81 HA GLU 81 -8.930 -9.721 4.930 662 HB2 GLU 81 2HB GLU 81 -7.954 -8.093 2.538 663 HB3 GLU 81 3HB GLU 81 -9.479 -8.980 2.582 664 HG2 GLU 81 2HG GLU 81 -10.309 -7.552 4.379 665 HG3 GLU 81 3HG GLU 81 -8.756 -6.725 4.481 666 H LEU 82 H LEU 82 -5.773 -9.825 3.435 667 HA LEU 82 HA LEU 82 -6.243 -12.198 1.862 668 HB2 LEU 82 2HB LEU 82 -3.643 -10.790 2.600 669 HB3 LEU 82 3HB LEU 82 -3.776 -12.120 1.454 670 HG LEU 82 HG LEU 82 -4.964 -9.335 1.132 671 HD11 LEU 82 1HD1 LEU 82 -2.776 -10.723 -0.439 672 HD12 LEU 82 2HD1 LEU 82 -2.552 -9.423 0.737 673 HD13 LEU 82 3HD1 LEU 82 -3.436 -9.114 -0.755 674 HD21 LEU 82 3HD2 LEU 82 -5.247 -11.752 -0.684 675 HD22 LEU 82 1HD2 LEU 82 -5.688 -10.099 -1.122 676 HD23 LEU 82 2HD2 LEU 82 -6.533 -10.914 0.188 677 H GLY 83 H GLY 83 -5.118 -11.546 5.144 678 HA2 GLY 83 2HA GLY 83 -5.515 -14.212 5.993 679 HA3 GLY 83 3HA GLY 83 -3.796 -13.988 5.685 680 H TYR 84 H TYR 84 -2.569 -12.963 7.199 681 HA TYR 84 HA TYR 84 -3.531 -12.796 9.857 682 HB2 TYR 84 2HB TYR 84 -0.886 -12.048 8.547 683 HB3 TYR 84 3HB TYR 84 -1.165 -11.744 10.260 684 HD1 TYR 84 HD2 TYR 84 -1.723 -14.633 7.878 685 HD2 TYR 84 HD1 TYR 84 -0.213 -13.350 11.668 686 HE1 TYR 84 HE2 TYR 84 -1.079 -16.947 8.405 687 HE2 TYR 84 HE1 TYR 84 0.426 -15.664 12.194 688 HH TYR 84 HH TYR 84 0.354 -18.188 9.839 689 H ASN 85 H ASN 85 -4.259 -11.113 11.041 690 HA ASN 85 HA ASN 85 -4.900 -8.605 9.779 691 HB2 ASN 85 2HB ASN 85 -5.201 -9.478 12.679 692 HB3 ASN 85 3HB ASN 85 -5.890 -8.009 11.991 693 HD21 ASN 85 1HD2 ASN 85 -6.631 -9.366 9.435 694 HD22 ASN 85 2HD2 ASN 85 -8.006 -10.330 9.824 695 H ASP 86 H ASP 86 -2.585 -9.721 12.179 696 HA ASP 86 HA ASP 86 -1.190 -7.247 12.512 697 HB2 ASP 86 2HB ASP 86 0.607 -8.656 13.520 698 HB3 ASP 86 3HB ASP 86 -0.969 -9.008 14.209 699 H ILE 87 H ILE 87 -0.002 -6.278 10.969 700 HA ILE 87 HA ILE 87 1.464 -7.866 8.945 701 HB ILE 87 HB ILE 87 -0.124 -5.306 8.410 702 HG12 ILE 87 2HG1 ILE 87 -1.587 -7.296 8.541 703 HG13 ILE 87 3HG1 ILE 87 -1.514 -6.704 6.885 704 HG21 ILE 87 1HG2 ILE 87 1.580 -6.895 6.458 705 HG22 ILE 87 2HG2 ILE 87 1.933 -5.282 7.081 706 HG23 ILE 87 3HG2 ILE 87 0.533 -5.534 6.040 707 HD11 ILE 87 3HD1 ILE 87 -1.453 -9.112 6.943 708 HD12 ILE 87 1HD1 ILE 87 -0.041 -9.097 7.998 709 HD13 ILE 87 2HD1 ILE 87 0.087 -8.502 6.339 710 H ASN 88 H ASN 88 3.435 -6.866 8.194 711 HA ASN 88 HA ASN 88 4.780 -5.348 10.284 712 HB2 ASN 88 2HB ASN 88 5.892 -7.347 9.400 713 HB3 ASN 88 3HB ASN 88 5.789 -6.732 7.754 714 HD21 ASN 88 1HD2 ASN 88 7.995 -6.792 7.400 715 HD22 ASN 88 2HD2 ASN 88 9.114 -5.746 8.195 716 H VAL 89 H VAL 89 5.139 -3.243 10.157 717 HA VAL 89 HA VAL 89 5.120 -1.778 7.593 718 HB VAL 89 HB VAL 89 2.876 -1.481 8.471 719 HG11 VAL 89 1HG1 VAL 89 3.223 -2.096 10.813 720 HG12 VAL 89 2HG1 VAL 89 2.366 -0.558 10.698 721 HG13 VAL 89 3HG1 VAL 89 4.084 -0.582 11.109 722 HG21 VAL 89 3HG2 VAL 89 4.477 1.043 9.044 723 HG22 VAL 89 1HG2 VAL 89 2.742 0.967 8.716 724 HG23 VAL 89 2HG2 VAL 89 3.898 0.522 7.461 725 H THR 90 H THR 90 6.557 -0.102 7.503 726 HA THR 90 HA THR 90 7.797 0.894 9.975 727 HB THR 90 HB THR 90 9.465 -0.632 9.089 728 HG1 THR 90 HG1 THR 90 10.182 1.425 9.895 729 HG21 THR 90 3HG2 THR 90 9.322 0.885 6.462 730 HG22 THR 90 1HG2 THR 90 8.773 -0.773 6.727 731 HG23 THR 90 2HG2 THR 90 10.489 -0.378 6.854 732 H TRP 91 H TRP 91 7.442 2.983 10.118 733 HA TRP 91 HA TRP 91 6.693 4.611 7.813 734 HB2 TRP 91 2HB TRP 91 6.716 5.164 10.813 735 HB3 TRP 91 3HB TRP 91 6.265 6.371 9.610 736 HD1 TRP 91 HD1 TRP 91 4.052 5.713 8.058 737 HE1 TRP 91 HE1 TRP 91 1.916 4.478 8.730 738 HE3 TRP 91 HE3 TRP 91 5.739 3.397 12.290 739 HZ2 TRP 91 HZ2 TRP 91 1.027 2.759 10.771 740 HZ3 TRP 91 HZ3 TRP 91 4.177 1.967 13.551 741 HH2 TRP 91 HH2 TRP 91 1.866 1.654 12.805 742 H ASP 92 H ASP 92 8.519 5.037 6.648 743 HA ASP 92 HA ASP 92 10.933 6.131 7.781 744 HB2 ASP 92 2HB ASP 92 11.179 4.987 5.684 745 HB3 ASP 92 3HB ASP 92 9.849 5.866 4.947 746 H GLY 93 H GLY 93 8.416 7.547 5.647 747 HA2 GLY 93 2HA GLY 93 7.354 9.648 6.771 748 HA3 GLY 93 3HA GLY 93 8.997 10.271 6.639 749 H ASP 94 H ASP 94 9.961 9.722 4.326 750 HA ASP 94 HA ASP 94 8.363 10.955 2.274 751 HB2 ASP 94 2HB ASP 94 11.044 9.498 2.169 752 HB3 ASP 94 3HB ASP 94 10.293 10.203 0.740 753 H THR 95 H THR 95 8.968 7.719 3.350 754 HA THR 95 HA THR 95 6.954 6.665 1.480 755 HB THR 95 HB THR 95 8.376 4.496 1.383 756 HG1 THR 95 HG1 THR 95 10.380 6.357 2.217 757 HG21 THR 95 3HG2 THR 95 9.481 6.932 -0.049 758 HG22 THR 95 1HG2 THR 95 8.105 5.963 -0.592 759 HG23 THR 95 2HG2 THR 95 9.719 5.248 -0.520 760 H VAL 96 H VAL 96 5.686 5.007 2.310 761 HA VAL 96 HA VAL 96 6.354 3.930 4.989 762 HB VAL 96 HB VAL 96 4.246 5.114 5.169 763 HG11 VAL 96 1HG1 VAL 96 3.167 3.473 2.851 764 HG12 VAL 96 2HG1 VAL 96 3.550 5.195 2.817 765 HG13 VAL 96 3HG1 VAL 96 2.237 4.607 3.839 766 HG21 VAL 96 3HG2 VAL 96 2.767 3.302 5.959 767 HG22 VAL 96 1HG2 VAL 96 4.444 3.013 6.426 768 HG23 VAL 96 2HG2 VAL 96 3.736 2.117 5.079 769 H THR 97 H THR 97 7.319 2.048 4.712 770 HA THR 97 HA THR 97 6.690 0.306 2.429 771 HB THR 97 HB THR 97 8.982 0.156 4.435 772 HG1 THR 97 HG1 THR 97 8.678 1.352 1.898 773 HG21 THR 97 3HG2 THR 97 10.008 -1.430 2.816 774 HG22 THR 97 1HG2 THR 97 8.523 -1.417 1.868 775 HG23 THR 97 2HG2 THR 97 8.518 -2.074 3.510 776 H VAL 98 H VAL 98 5.195 -1.170 2.756 777 HA VAL 98 HA VAL 98 4.865 -2.520 5.377 778 HB VAL 98 HB VAL 98 2.722 -1.807 3.310 779 HG11 VAL 98 1HG1 VAL 98 1.081 -2.821 4.870 780 HG12 VAL 98 2HG1 VAL 98 2.404 -3.380 5.897 781 HG13 VAL 98 3HG1 VAL 98 2.227 -4.017 4.260 782 HG21 VAL 98 3HG2 VAL 98 1.751 -0.405 5.092 783 HG22 VAL 98 1HG2 VAL 98 3.398 0.105 4.714 784 HG23 VAL 98 2HG2 VAL 98 3.078 -0.838 6.171 785 H GLU 99 H GLU 99 5.225 -4.640 5.284 786 HA GLU 99 HA GLU 99 4.625 -6.192 2.845 787 HB2 GLU 99 2HB GLU 99 7.132 -5.850 3.132 788 HB3 GLU 99 3HB GLU 99 7.028 -6.684 4.682 789 HG2 GLU 99 2HG GLU 99 6.242 -8.726 3.536 790 HG3 GLU 99 3HG GLU 99 6.307 -7.892 1.987 791 H GLY 100 H GLY 100 3.650 -8.203 3.292 792 HA2 GLY 100 2HA GLY 100 2.112 -8.457 5.653 793 HA3 GLY 100 3HA GLY 100 2.345 -9.709 4.445 794 H GLN 101 H GLN 101 2.181 -10.083 7.311 795 HA GLN 101 HA GLN 101 4.791 -10.567 8.408 796 HB2 GLN 101 2HB GLN 101 1.965 -11.254 9.275 797 HB3 GLN 101 3HB GLN 101 3.341 -11.911 10.152 798 HG2 GLN 101 2HG GLN 101 3.063 -8.932 9.706 799 HG3 GLN 101 3HG GLN 101 2.219 -9.740 11.024 800 HE21 GLN 101 1HE2 GLN 101 3.419 -10.637 12.728 801 HE22 GLN 101 2HE2 GLN 101 5.060 -10.171 13.030 802 H LEU 102 H LEU 102 5.998 -12.336 8.313 803 HA LEU 102 HA LEU 102 5.313 -14.698 6.834 804 HB2 LEU 102 2HB LEU 102 7.663 -13.958 8.627 805 HB3 LEU 102 3HB LEU 102 7.494 -15.578 7.982 806 HG LEU 102 HG LEU 102 9.086 -14.307 6.643 807 HD11 LEU 102 1HD1 LEU 102 7.745 -15.993 5.494 808 HD12 LEU 102 2HD1 LEU 102 8.163 -14.665 4.414 809 HD13 LEU 102 3HD1 LEU 102 6.531 -14.776 5.082 810 HD21 LEU 102 3HD2 LEU 102 8.274 -12.028 7.062 811 HD22 LEU 102 1HD2 LEU 102 6.858 -12.328 6.052 812 HD23 LEU 102 2HD2 LEU 102 8.473 -12.322 5.336 813 H GLU 103 H GLU 103 4.763 -16.727 7.653 814 HA GLU 103 HA GLU 103 3.181 -16.758 10.017 815 HB2 GLU 103 2HB GLU 103 2.647 -18.121 8.051 816 HB3 GLU 103 3HB GLU 103 4.119 -19.063 8.267 817 HG2 GLU 103 2HG GLU 103 3.288 -20.102 10.250 818 HG3 GLU 103 3HG GLU 103 1.962 -18.945 10.394 819 H GLY 104 H GLY 104 4.316 -16.339 11.818 820 HA2 GLY 104 2HA GLY 104 6.109 -18.409 12.885 821 HA3 GLY 104 3HA GLY 104 6.727 -16.760 12.778 822 H VAL 105 H VAL 105 4.426 -18.872 14.331 823 HA VAL 105 HA VAL 105 4.128 -17.034 16.582 824 HB VAL 105 HB VAL 105 2.245 -16.413 15.112 825 HG11 VAL 105 1HG1 VAL 105 1.960 -18.485 13.852 826 HG12 VAL 105 2HG1 VAL 105 0.424 -17.966 14.551 827 HG13 VAL 105 3HG1 VAL 105 1.325 -19.298 15.285 828 HG21 VAL 105 3HG2 VAL 105 0.382 -16.683 16.713 829 HG22 VAL 105 1HG2 VAL 105 1.890 -16.259 17.528 830 HG23 VAL 105 2HG2 VAL 105 1.299 -17.922 17.575 831 H ASP 106 H ASP 106 3.794 -18.078 18.511 832 HA ASP 106 HA ASP 106 3.312 -20.983 18.588 833 HB2 ASP 106 2HB ASP 106 5.768 -20.741 18.632 834 HB3 ASP 106 3HB ASP 106 5.662 -19.563 19.937 Start of MODEL 2 1 H1 MET 1 1H MET 1 -3.906 16.661 -30.578 2 H2 MET 1 2H MET 1 -3.307 15.201 -31.181 3 H3 MET 1 3H MET 1 -2.422 16.074 -30.036 4 HA MET 1 HA MET 1 -4.033 15.716 -28.356 5 HB2 MET 1 2HB MET 1 -6.021 14.308 -28.749 6 HB3 MET 1 3HB MET 1 -6.044 15.742 -29.766 7 HG2 MET 1 2HG MET 1 -5.165 13.011 -30.725 8 HG3 MET 1 3HG MET 1 -6.798 13.648 -30.909 9 HE1 MET 1 3HE MET 1 -6.288 16.612 -33.391 10 HE2 MET 1 1HE MET 1 -6.340 16.715 -31.632 11 HE3 MET 1 2HE MET 1 -7.452 15.643 -32.486 12 H HIS 2 H HIS 2 -4.390 13.628 -27.202 13 HA HIS 2 HA HIS 2 -3.648 11.742 -26.265 14 HB2 HIS 2 2HB HIS 2 -3.023 10.827 -29.105 15 HB3 HIS 2 3HB HIS 2 -3.160 9.783 -27.691 16 HD1 HIS 2 HD1 HIS 2 -5.035 10.488 -30.501 17 HD2 HIS 2 HD2 HIS 2 -5.991 10.475 -26.465 18 HE1 HIS 2 HE1 HIS 2 -7.525 10.263 -30.408 19 HE2 HIS 2 HE2 HIS 2 -8.042 10.037 -27.960 20 H HIS 3 H HIS 3 -2.010 13.203 -25.388 21 HA HIS 3 HA HIS 3 0.724 12.235 -25.924 22 HB2 HIS 3 2HB HIS 3 -0.097 15.181 -25.839 23 HB3 HIS 3 3HB HIS 3 1.571 14.628 -25.720 24 HD1 HIS 3 HD1 HIS 3 -0.776 15.838 -28.131 25 HD2 HIS 3 HD2 HIS 3 2.293 13.043 -28.188 26 HE1 HIS 3 HE1 HIS 3 -0.180 15.525 -30.556 27 HE2 HIS 3 HE2 HIS 3 1.650 13.811 -30.554 28 H HIS 4 H HIS 4 1.977 12.132 -24.147 29 HA HIS 4 HA HIS 4 1.298 13.519 -21.665 30 HB2 HIS 4 2HB HIS 4 0.180 11.272 -21.459 31 HB3 HIS 4 3HB HIS 4 1.726 10.482 -21.752 32 HD1 HIS 4 HD1 HIS 4 3.542 10.694 -19.829 33 HD2 HIS 4 HD2 HIS 4 -0.223 12.142 -18.825 34 HE1 HIS 4 HE1 HIS 4 3.558 10.943 -17.334 35 HE2 HIS 4 HE2 HIS 4 1.211 11.603 -16.748 36 H HIS 5 H HIS 5 3.124 14.744 -22.037 37 HA HIS 5 HA HIS 5 5.670 13.810 -22.843 38 HB2 HIS 5 2HB HIS 5 4.807 16.187 -23.023 39 HB3 HIS 5 3HB HIS 5 5.005 16.353 -21.284 40 HD1 HIS 5 HD1 HIS 5 6.851 18.062 -21.199 41 HD2 HIS 5 HD2 HIS 5 7.745 14.944 -23.798 42 HE1 HIS 5 HE1 HIS 5 9.185 18.502 -22.006 43 HE2 HIS 5 HE2 HIS 5 9.625 16.706 -23.703 44 H HIS 6 H HIS 6 4.617 15.015 -19.642 45 HA HIS 6 HA HIS 6 5.696 12.842 -18.151 46 HB2 HIS 6 2HB HIS 6 7.349 15.370 -18.333 47 HB3 HIS 6 3HB HIS 6 7.234 14.603 -16.751 48 HD1 HIS 6 HD1 HIS 6 9.502 14.704 -19.398 49 HD2 HIS 6 HD2 HIS 6 7.841 11.570 -17.243 50 HE1 HIS 6 HE1 HIS 6 11.069 12.773 -19.700 51 HE2 HIS 6 HE2 HIS 6 9.891 10.844 -18.609 52 H HIS 7 H HIS 7 5.389 13.197 -15.771 53 HA HIS 7 HA HIS 7 3.639 15.421 -15.001 54 HB2 HIS 7 2HB HIS 7 2.105 13.510 -15.624 55 HB3 HIS 7 3HB HIS 7 2.878 12.523 -14.389 56 HD1 HIS 7 HD1 HIS 7 2.196 12.938 -11.931 57 HD2 HIS 7 HD2 HIS 7 0.442 15.619 -14.592 58 HE1 HIS 7 HE1 HIS 7 0.440 14.153 -10.621 59 HE2 HIS 7 HE2 HIS 7 -0.671 15.687 -12.264 60 H ARG 8 H ARG 8 5.622 16.072 -14.023 61 HA ARG 8 HA ARG 8 6.551 14.594 -11.662 62 HB2 ARG 8 2HB ARG 8 8.305 15.504 -13.062 63 HB3 ARG 8 3HB ARG 8 7.573 17.104 -13.054 64 HG2 ARG 8 2HG ARG 8 8.170 17.459 -10.741 65 HG3 ARG 8 3HG ARG 8 8.651 15.773 -10.543 66 HD2 ARG 8 2HD ARG 8 10.034 17.760 -12.377 67 HD3 ARG 8 3HD ARG 8 10.590 17.333 -10.754 68 HE ARG 8 HE ARG 8 10.418 14.927 -11.964 69 HH11 ARG 8 1HH1 ARG 8 12.033 17.890 -12.984 70 HH12 ARG 8 2HH1 ARG 8 13.260 17.044 -13.869 71 HH21 ARG 8 1HH2 ARG 8 12.030 13.844 -13.103 72 HH22 ARG 8 2HH2 ARG 8 13.254 14.753 -13.934 73 H SER 9 H SER 9 5.108 14.812 -10.079 74 HA SER 9 HA SER 9 4.587 17.473 -8.925 75 HB2 SER 9 2HB SER 9 2.444 15.373 -9.530 76 HB3 SER 9 3HB SER 9 2.183 16.802 -8.530 77 HG SER 9 HG SER 9 3.253 17.420 -10.968 78 H GLY 10 H GLY 10 2.993 16.544 -6.761 79 HA2 GLY 10 2HA GLY 10 4.848 14.953 -5.169 80 HA3 GLY 10 3HA GLY 10 3.333 15.669 -4.640 81 H ASP 11 H ASP 11 4.320 13.268 -7.082 82 HA ASP 11 HA ASP 11 1.800 11.947 -7.078 83 HB2 ASP 11 2HB ASP 11 4.492 11.277 -8.318 84 HB3 ASP 11 3HB ASP 11 3.107 10.207 -8.490 85 H ILE 12 H ILE 12 1.096 10.386 -5.868 86 HA ILE 12 HA ILE 12 2.598 9.003 -3.848 87 HB ILE 12 HB ILE 12 -0.192 8.490 -4.986 88 HG12 ILE 12 2HG1 ILE 12 0.539 10.009 -2.447 89 HG13 ILE 12 3HG1 ILE 12 0.160 10.785 -3.978 90 HG21 ILE 12 1HG2 ILE 12 1.012 7.479 -2.397 91 HG22 ILE 12 2HG2 ILE 12 0.651 6.506 -3.825 92 HG23 ILE 12 3HG2 ILE 12 -0.661 7.253 -2.914 93 HD11 ILE 12 3HD1 ILE 12 -2.094 9.803 -3.897 94 HD12 ILE 12 1HD1 ILE 12 -1.739 10.847 -2.521 95 HD13 ILE 12 2HD1 ILE 12 -1.709 9.095 -2.321 96 H GLN 13 H GLN 13 4.179 7.743 -4.705 97 HA GLN 13 HA GLN 13 3.790 6.053 -7.027 98 HB2 GLN 13 2HB GLN 13 5.935 7.243 -6.690 99 HB3 GLN 13 3HB GLN 13 6.184 6.394 -5.168 100 HG2 GLN 13 2HG GLN 13 7.548 5.400 -6.923 101 HG3 GLN 13 3HG GLN 13 6.323 4.251 -6.383 102 HE21 GLN 13 1HE2 GLN 13 6.387 3.073 -8.272 103 HE22 GLN 13 2HE2 GLN 13 5.763 3.654 -9.774 104 H VAL 14 H VAL 14 2.682 4.248 -6.714 105 HA VAL 14 HA VAL 14 2.718 2.752 -4.193 106 HB VAL 14 HB VAL 14 1.056 2.185 -6.704 107 HG11 VAL 14 1HG1 VAL 14 -0.474 1.026 -5.158 108 HG12 VAL 14 2HG1 VAL 14 0.590 1.407 -3.802 109 HG13 VAL 14 3HG1 VAL 14 1.149 0.334 -5.088 110 HG21 VAL 14 3HG2 VAL 14 0.253 3.967 -4.370 111 HG22 VAL 14 1HG2 VAL 14 -0.796 3.479 -5.705 112 HG23 VAL 14 2HG2 VAL 14 0.606 4.507 -6.013 113 H GLN 15 H GLN 15 4.408 1.314 -4.069 114 HA GLN 15 HA GLN 15 5.222 -0.217 -6.495 115 HB2 GLN 15 2HB GLN 15 6.960 1.382 -5.826 116 HB3 GLN 15 3HB GLN 15 6.906 0.822 -4.162 117 HG2 GLN 15 2HG GLN 15 7.804 -1.381 -4.898 118 HG3 GLN 15 3HG GLN 15 7.894 -0.771 -6.551 119 HE21 GLN 15 1HE2 GLN 15 9.518 0.754 -7.066 120 HE22 GLN 15 2HE2 GLN 15 10.864 1.046 -6.023 121 H ASN 16 H ASN 16 4.232 -2.142 -6.221 122 HA ASN 16 HA ASN 16 4.291 -3.556 -3.615 123 HB2 ASN 16 2HB ASN 16 2.530 -4.074 -6.064 124 HB3 ASN 16 3HB ASN 16 2.451 -4.954 -4.542 125 HD21 ASN 16 1HD2 ASN 16 1.228 -4.111 -2.888 126 HD22 ASN 16 2HD2 ASN 16 0.370 -2.617 -2.997 127 H ASN 17 H ASN 17 5.877 -5.029 -3.489 128 HA ASN 17 HA ASN 17 6.973 -6.260 -5.951 129 HB2 ASN 17 2HB ASN 17 8.588 -4.716 -5.019 130 HB3 ASN 17 3HB ASN 17 8.368 -5.362 -3.397 131 HD21 ASN 17 1HD2 ASN 17 9.589 -6.143 -6.617 132 HD22 ASN 17 2HD2 ASN 17 10.729 -7.330 -6.095 133 H ASN 18 H ASN 18 6.749 -8.383 -6.083 134 HA ASN 18 HA ASN 18 6.584 -10.068 -3.635 135 HB2 ASN 18 2HB ASN 18 5.394 -10.539 -6.417 136 HB3 ASN 18 3HB ASN 18 5.390 -11.734 -5.125 137 HD21 ASN 18 1HD2 ASN 18 4.085 -8.645 -6.174 138 HD22 ASN 18 2HD2 ASN 18 2.732 -8.638 -5.100 139 H THR 19 H THR 19 8.586 -10.987 -3.374 140 HA THR 19 HA THR 19 10.238 -11.637 -5.741 141 HB THR 19 HB THR 19 11.044 -11.622 -2.796 142 HG1 THR 19 HG1 THR 19 10.791 -9.593 -4.654 143 HG21 THR 19 3HG2 THR 19 13.381 -11.575 -3.667 144 HG22 THR 19 1HG2 THR 19 12.765 -11.729 -5.307 145 HG23 THR 19 2HG2 THR 19 12.542 -13.052 -4.159 146 H CYS 20 H CYS 20 9.723 -13.564 -6.480 147 HA CYS 20 HA CYS 20 10.478 -15.975 -5.259 148 HB2 CYS 20 2HB CYS 20 7.471 -15.501 -5.385 149 HB3 CYS 20 3HB CYS 20 8.148 -17.133 -5.459 150 H ASN 21 H ASN 21 11.648 -15.400 -7.184 151 HA ASN 21 HA ASN 21 12.370 -15.797 -9.244 152 HB2 ASN 21 2HB ASN 21 9.833 -17.428 -9.606 153 HB3 ASN 21 3HB ASN 21 11.105 -17.319 -10.818 154 HD21 ASN 21 1HD2 ASN 21 11.568 -19.522 -10.747 155 HD22 ASN 21 2HD2 ASN 21 12.337 -20.278 -9.395 156 H GLY 22 H GLY 22 8.844 -15.337 -9.796 157 HA2 GLY 22 2HA GLY 22 8.397 -12.814 -10.331 158 HA3 GLY 22 3HA GLY 22 9.424 -13.150 -11.724 159 H LYS 23 H LYS 23 6.241 -13.417 -10.414 160 HA LYS 23 HA LYS 23 5.354 -15.666 -11.969 161 HB2 LYS 23 2HB LYS 23 4.384 -15.101 -9.746 162 HB3 LYS 23 3HB LYS 23 3.731 -13.614 -10.412 163 HG2 LYS 23 2HG LYS 23 1.912 -15.103 -10.286 164 HG3 LYS 23 3HG LYS 23 2.338 -15.059 -11.989 165 HD2 LYS 23 2HD LYS 23 3.390 -17.269 -10.198 166 HD3 LYS 23 3HD LYS 23 1.749 -17.345 -10.826 167 HE2 LYS 23 2HE LYS 23 4.251 -17.157 -12.534 168 HE3 LYS 23 3HE LYS 23 3.362 -18.638 -12.190 169 HZ1 LYS 23 3HZ LYS 23 2.222 -16.278 -13.596 170 HZ2 LYS 23 1HZ LYS 23 1.456 -17.760 -13.339 171 HZ3 LYS 23 2HZ LYS 23 2.798 -17.671 -14.359 172 H THR 24 H THR 24 4.953 -12.133 -12.256 173 HA THR 24 HA THR 24 4.419 -12.351 -15.120 174 HB THR 24 HB THR 24 2.429 -10.882 -13.307 175 HG1 THR 24 HG1 THR 24 0.979 -12.513 -13.906 176 HG21 THR 24 3HG2 THR 24 2.660 -9.812 -15.524 177 HG22 THR 24 1HG2 THR 24 1.082 -10.602 -15.360 178 HG23 THR 24 2HG2 THR 24 2.356 -11.359 -16.314 179 H PHE 25 H PHE 25 4.045 -9.918 -12.556 180 HA PHE 25 HA PHE 25 6.316 -8.322 -13.246 181 HB2 PHE 25 2HB PHE 25 4.865 -7.661 -15.151 182 HB3 PHE 25 3HB PHE 25 3.537 -7.312 -14.055 183 HD1 PHE 25 HD1 PHE 25 7.151 -6.273 -14.486 184 HD2 PHE 25 HD2 PHE 25 3.137 -5.034 -13.659 185 HE1 PHE 25 HE1 PHE 25 7.887 -3.927 -14.375 186 HE2 PHE 25 HE2 PHE 25 3.887 -2.691 -13.544 187 HZ PHE 25 HZ PHE 25 6.261 -2.135 -13.904 188 H ASP 26 H ASP 26 6.804 -7.069 -11.472 189 HA ASP 26 HA ASP 26 5.256 -7.185 -9.072 190 HB2 ASP 26 2HB ASP 26 7.587 -5.344 -9.793 191 HB3 ASP 26 3HB ASP 26 6.924 -5.557 -8.176 192 H TYR 27 H TYR 27 3.521 -5.984 -8.599 193 HA TYR 27 HA TYR 27 2.308 -4.289 -10.504 194 HB2 TYR 27 2HB TYR 27 1.603 -4.701 -7.576 195 HB3 TYR 27 3HB TYR 27 0.543 -3.979 -8.780 196 HD1 TYR 27 HD1 TYR 27 -0.352 -5.407 -10.653 197 HD2 TYR 27 HD2 TYR 27 1.783 -7.123 -7.366 198 HE1 TYR 27 HE1 TYR 27 -1.273 -7.614 -11.198 199 HE2 TYR 27 HE2 TYR 27 0.861 -9.335 -7.919 200 HH TYR 27 HH TYR 27 -1.037 -10.304 -9.096 201 H THR 28 H THR 28 2.702 -2.162 -10.896 202 HA THR 28 HA THR 28 3.568 -0.390 -8.704 203 HB THR 28 HB THR 28 5.016 -0.306 -11.387 204 HG1 THR 28 HG1 THR 28 5.461 -2.358 -10.541 205 HG21 THR 28 3HG2 THR 28 5.814 0.648 -8.611 206 HG22 THR 28 1HG2 THR 28 5.228 1.680 -9.922 207 HG23 THR 28 2HG2 THR 28 6.767 0.833 -10.085 208 H TYR 29 H TYR 29 2.508 1.502 -8.774 209 HA TYR 29 HA TYR 29 1.159 2.420 -11.235 210 HB2 TYR 29 2HB TYR 29 -0.190 2.289 -8.483 211 HB3 TYR 29 3HB TYR 29 -0.926 2.832 -9.989 212 HD1 TYR 29 HD1 TYR 29 -1.403 1.119 -11.829 213 HD2 TYR 29 HD2 TYR 29 -0.117 -0.049 -7.924 214 HE1 TYR 29 HE1 TYR 29 -2.110 -1.197 -12.280 215 HE2 TYR 29 HE2 TYR 29 -0.824 -2.356 -8.376 216 HH TYR 29 HH TYR 29 -1.562 -3.475 -11.481 217 H THR 30 H THR 30 0.692 4.701 -11.229 218 HA THR 30 HA THR 30 1.933 6.315 -9.075 219 HB THR 30 HB THR 30 2.072 6.979 -12.059 220 HG1 THR 30 HG1 THR 30 3.778 5.575 -10.361 221 HG21 THR 30 3HG2 THR 30 2.038 8.999 -10.625 222 HG22 THR 30 1HG2 THR 30 3.630 8.763 -11.352 223 HG23 THR 30 2HG2 THR 30 3.362 8.338 -9.661 224 H VAL 31 H VAL 31 0.217 7.118 -8.076 225 HA VAL 31 HA VAL 31 -1.993 8.359 -9.635 226 HB VAL 31 HB VAL 31 -3.491 7.883 -7.713 227 HG11 VAL 31 1HG1 VAL 31 -3.741 5.439 -8.048 228 HG12 VAL 31 2HG1 VAL 31 -2.141 5.373 -8.793 229 HG13 VAL 31 3HG1 VAL 31 -3.442 6.279 -9.570 230 HG21 VAL 31 3HG2 VAL 31 -2.812 6.321 -5.899 231 HG22 VAL 31 1HG2 VAL 31 -1.876 7.817 -5.873 232 HG23 VAL 31 2HG2 VAL 31 -1.156 6.341 -6.514 233 H THR 32 H THR 32 -2.433 10.499 -9.157 234 HA THR 32 HA THR 32 -0.500 11.901 -7.470 235 HB THR 32 HB THR 32 -1.107 12.803 -9.730 236 HG1 THR 32 HG1 THR 32 -1.490 14.375 -7.409 237 HG21 THR 32 3HG2 THR 32 -3.519 12.298 -9.772 238 HG22 THR 32 1HG2 THR 32 -3.217 14.014 -10.072 239 HG23 THR 32 2HG2 THR 32 -3.790 13.479 -8.491 240 H THR 33 H THR 33 -3.758 10.749 -7.228 241 HA THR 33 HA THR 33 -4.283 12.374 -4.801 242 HB THR 33 HB THR 33 -6.366 11.189 -6.694 243 HG1 THR 33 HG1 THR 33 -5.476 12.734 -7.912 244 HG21 THR 33 3HG2 THR 33 -6.640 13.330 -4.548 245 HG22 THR 33 1HG2 THR 33 -7.216 11.664 -4.416 246 HG23 THR 33 2HG2 THR 33 -7.924 12.752 -5.611 247 H GLU 34 H GLU 34 -5.184 11.335 -3.037 248 HA GLU 34 HA GLU 34 -4.552 8.623 -2.522 249 HB2 GLU 34 2HB GLU 34 -6.428 10.452 -0.940 250 HB3 GLU 34 3HB GLU 34 -5.688 8.969 -0.351 251 HG2 GLU 34 2HG GLU 34 -4.185 10.400 0.578 252 HG3 GLU 34 3HG GLU 34 -3.435 10.324 -1.008 253 H SER 35 H SER 35 -7.479 10.258 -3.531 254 HA SER 35 HA SER 35 -9.469 8.374 -3.141 255 HB2 SER 35 2HB SER 35 -9.176 10.321 -5.471 256 HB3 SER 35 3HB SER 35 -10.678 9.552 -4.954 257 HG SER 35 HG SER 35 -9.832 10.622 -2.793 258 H GLU 36 H GLU 36 -7.294 8.734 -5.935 259 HA GLU 36 HA GLU 36 -8.260 6.674 -7.578 260 HB2 GLU 36 2HB GLU 36 -5.402 7.709 -7.347 261 HB3 GLU 36 3HB GLU 36 -6.054 6.795 -8.704 262 HG2 GLU 36 2HG GLU 36 -7.576 8.654 -9.238 263 HG3 GLU 36 3HG GLU 36 -6.956 9.560 -7.854 264 H LEU 37 H LEU 37 -5.780 6.714 -5.061 265 HA LEU 37 HA LEU 37 -4.813 4.085 -5.355 266 HB2 LEU 37 2HB LEU 37 -3.471 5.692 -4.250 267 HB3 LEU 37 3HB LEU 37 -4.728 6.097 -3.101 268 HG LEU 37 HG LEU 37 -3.925 3.248 -2.907 269 HD11 LEU 37 1HD1 LEU 37 -1.774 5.288 -2.328 270 HD12 LEU 37 2HD1 LEU 37 -1.738 4.042 -3.577 271 HD13 LEU 37 3HD1 LEU 37 -1.742 3.581 -1.879 272 HD21 LEU 37 3HD2 LEU 37 -5.326 4.343 -1.205 273 HD22 LEU 37 1HD2 LEU 37 -4.020 5.475 -0.831 274 HD23 LEU 37 2HD2 LEU 37 -3.826 3.753 -0.491 275 H GLN 38 H GLN 38 -7.501 5.402 -3.446 276 HA GLN 38 HA GLN 38 -7.972 3.157 -1.790 277 HB2 GLN 38 2HB GLN 38 -9.915 5.291 -2.760 278 HB3 GLN 38 3HB GLN 38 -10.287 4.121 -1.501 279 HG2 GLN 38 2HG GLN 38 -8.011 6.115 -1.308 280 HG3 GLN 38 3HG GLN 38 -9.628 6.414 -0.680 281 HE21 GLN 38 1HE2 GLN 38 -8.734 6.678 1.423 282 HE22 GLN 38 2HE2 GLN 38 -8.230 5.324 2.370 283 H LYS 39 H LYS 39 -8.911 3.832 -5.109 284 HA LYS 39 HA LYS 39 -10.527 1.465 -5.444 285 HB2 LYS 39 2HB LYS 39 -9.257 3.416 -7.394 286 HB3 LYS 39 3HB LYS 39 -10.004 1.936 -7.965 287 HG2 LYS 39 2HG LYS 39 -11.538 3.736 -8.275 288 HG3 LYS 39 3HG LYS 39 -12.171 2.685 -7.022 289 HD2 LYS 39 2HD LYS 39 -10.591 5.087 -6.144 290 HD3 LYS 39 3HD LYS 39 -12.186 5.378 -6.830 291 HE2 LYS 39 2HE LYS 39 -11.591 3.613 -4.432 292 HE3 LYS 39 3HE LYS 39 -12.284 5.233 -4.386 293 HZ1 LYS 39 3HZ LYS 39 -13.971 3.506 -4.180 294 HZ2 LYS 39 1HZ LYS 39 -13.547 2.885 -5.695 295 HZ3 LYS 39 2HZ LYS 39 -14.209 4.435 -5.569 296 H VAL 40 H VAL 40 -7.192 2.425 -6.336 297 HA VAL 40 HA VAL 40 -6.360 0.221 -7.752 298 HB VAL 40 HB VAL 40 -4.716 2.117 -6.013 299 HG11 VAL 40 1HG1 VAL 40 -3.418 0.040 -6.217 300 HG12 VAL 40 2HG1 VAL 40 -2.684 1.308 -7.198 301 HG13 VAL 40 3HG1 VAL 40 -3.645 0.043 -7.968 302 HG21 VAL 40 3HG2 VAL 40 -5.809 3.173 -7.950 303 HG22 VAL 40 1HG2 VAL 40 -5.100 1.973 -9.030 304 HG23 VAL 40 2HG2 VAL 40 -4.060 3.127 -8.189 305 H LEU 41 H LEU 41 -5.746 0.730 -4.236 306 HA LEU 41 HA LEU 41 -4.378 -1.712 -3.861 307 HB2 LEU 41 2HB LEU 41 -5.642 0.203 -1.886 308 HB3 LEU 41 3HB LEU 41 -4.735 -1.217 -1.383 309 HG LEU 41 HG LEU 41 -3.623 1.150 -2.950 310 HD11 LEU 41 1HD1 LEU 41 -3.114 0.213 -0.114 311 HD12 LEU 41 2HD1 LEU 41 -4.035 1.638 -0.595 312 HD13 LEU 41 3HD1 LEU 41 -2.307 1.562 -0.919 313 HD21 LEU 41 3HD2 LEU 41 -1.423 0.074 -2.722 314 HD22 LEU 41 1HD2 LEU 41 -2.518 -0.933 -3.668 315 HD23 LEU 41 2HD2 LEU 41 -2.172 -1.342 -1.983 316 H ASN 42 H ASN 42 -7.820 -0.917 -3.525 317 HA ASN 42 HA ASN 42 -8.468 -3.212 -1.914 318 HB2 ASN 42 2HB ASN 42 -9.841 -1.095 -1.896 319 HB3 ASN 42 3HB ASN 42 -10.406 -1.485 -3.518 320 HD21 ASN 42 1HD2 ASN 42 -12.573 -1.649 -2.866 321 HD22 ASN 42 2HD2 ASN 42 -13.168 -2.942 -1.886 322 H GLU 43 H GLU 43 -8.564 -2.504 -5.395 323 HA GLU 43 HA GLU 43 -9.654 -5.129 -6.054 324 HB2 GLU 43 2HB GLU 43 -9.439 -4.434 -8.400 325 HB3 GLU 43 3HB GLU 43 -10.248 -3.194 -7.451 326 HG2 GLU 43 2HG GLU 43 -7.968 -2.014 -7.322 327 HG3 GLU 43 3HG GLU 43 -7.433 -3.146 -8.560 328 H LEU 44 H LEU 44 -6.531 -3.575 -5.820 329 HA LEU 44 HA LEU 44 -4.908 -5.455 -7.207 330 HB2 LEU 44 2HB LEU 44 -4.245 -3.118 -6.629 331 HB3 LEU 44 3HB LEU 44 -4.177 -3.570 -4.935 332 HG LEU 44 HG LEU 44 -2.277 -5.096 -5.413 333 HD11 LEU 44 1HD1 LEU 44 -1.188 -5.129 -7.582 334 HD12 LEU 44 2HD1 LEU 44 -2.431 -4.083 -8.264 335 HD13 LEU 44 3HD1 LEU 44 -2.842 -5.711 -7.718 336 HD21 LEU 44 3HD2 LEU 44 -1.842 -2.270 -6.434 337 HD22 LEU 44 1HD2 LEU 44 -0.589 -3.373 -5.858 338 HD23 LEU 44 2HD2 LEU 44 -1.820 -2.784 -4.745 339 H LYS 45 H LYS 45 -6.128 -5.255 -3.951 340 HA LYS 45 HA LYS 45 -4.913 -7.183 -2.457 341 HB2 LYS 45 2HB LYS 45 -6.792 -5.784 -1.735 342 HB3 LYS 45 3HB LYS 45 -7.873 -6.606 -2.846 343 HG2 LYS 45 2HG LYS 45 -7.518 -8.715 -1.479 344 HG3 LYS 45 3HG LYS 45 -6.635 -7.720 -0.311 345 HD2 LYS 45 2HD LYS 45 -8.984 -7.981 0.394 346 HD3 LYS 45 3HD LYS 45 -8.649 -6.294 -0.006 347 HE2 LYS 45 2HE LYS 45 -9.623 -6.775 -2.316 348 HE3 LYS 45 3HE LYS 45 -10.158 -8.330 -1.684 349 HZ1 LYS 45 3HZ LYS 45 -11.882 -6.626 -1.617 350 HZ2 LYS 45 1HZ LYS 45 -10.934 -5.684 -0.584 351 HZ3 LYS 45 2HZ LYS 45 -11.506 -7.191 -0.077 352 H ASP 46 H ASP 46 -7.374 -7.654 -4.949 353 HA ASP 46 HA ASP 46 -7.518 -10.511 -4.715 354 HB2 ASP 46 2HB ASP 46 -8.566 -8.692 -6.920 355 HB3 ASP 46 3HB ASP 46 -9.078 -10.348 -6.607 356 H TYR 47 H TYR 47 -5.790 -8.229 -6.798 357 HA TYR 47 HA TYR 47 -4.899 -10.043 -8.804 358 HB2 TYR 47 2HB TYR 47 -3.854 -7.339 -7.863 359 HB3 TYR 47 3HB TYR 47 -2.985 -8.262 -9.082 360 HD1 TYR 47 HD2 TYR 47 -6.504 -7.098 -8.428 361 HD2 TYR 47 HD1 TYR 47 -3.425 -7.716 -11.310 362 HE1 TYR 47 HE2 TYR 47 -7.939 -6.099 -10.157 363 HE2 TYR 47 HE1 TYR 47 -4.849 -6.721 -13.043 364 HH TYR 47 HH TYR 47 -7.704 -4.995 -12.333 365 H ILE 48 H ILE 48 -3.463 -9.004 -5.730 366 HA ILE 48 HA ILE 48 -1.015 -10.507 -6.001 367 HB ILE 48 HB ILE 48 -2.257 -9.171 -3.537 368 HG12 ILE 48 2HG1 ILE 48 -0.063 -8.163 -5.415 369 HG13 ILE 48 3HG1 ILE 48 -1.725 -7.589 -5.402 370 HG21 ILE 48 1HG2 ILE 48 0.598 -10.176 -3.887 371 HG22 ILE 48 2HG2 ILE 48 -0.629 -10.908 -2.850 372 HG23 ILE 48 3HG2 ILE 48 -0.020 -9.292 -2.491 373 HD11 ILE 48 3HD1 ILE 48 -0.280 -6.016 -4.297 374 HD12 ILE 48 1HD1 ILE 48 0.290 -7.256 -3.178 375 HD13 ILE 48 2HD1 ILE 48 -1.393 -6.722 -3.126 376 H LYS 49 H LYS 49 -4.179 -11.008 -4.496 377 HA LYS 49 HA LYS 49 -3.679 -13.477 -3.182 378 HB2 LYS 49 2HB LYS 49 -5.669 -11.918 -2.829 379 HB3 LYS 49 3HB LYS 49 -6.335 -12.528 -4.337 380 HG2 LYS 49 2HG LYS 49 -6.420 -14.811 -3.361 381 HG3 LYS 49 3HG LYS 49 -5.756 -14.174 -1.853 382 HD2 LYS 49 2HD LYS 49 -7.793 -12.621 -1.756 383 HD3 LYS 49 3HD LYS 49 -8.461 -13.560 -3.095 384 HE2 LYS 49 2HE LYS 49 -7.769 -14.592 -0.325 385 HE3 LYS 49 3HE LYS 49 -9.383 -14.362 -0.993 386 HZ1 LYS 49 3HZ LYS 49 -8.798 -16.666 -1.084 387 HZ2 LYS 49 1HZ LYS 49 -7.358 -16.331 -1.909 388 HZ3 LYS 49 2HZ LYS 49 -8.846 -16.070 -2.662 389 H LYS 50 H LYS 50 -4.579 -12.612 -6.451 390 HA LYS 50 HA LYS 50 -5.201 -15.234 -7.429 391 HB2 LYS 50 2HB LYS 50 -6.104 -13.164 -8.454 392 HB3 LYS 50 3HB LYS 50 -4.480 -12.664 -8.915 393 HG2 LYS 50 2HG LYS 50 -4.310 -14.535 -10.484 394 HG3 LYS 50 3HG LYS 50 -5.878 -15.155 -9.967 395 HD2 LYS 50 2HD LYS 50 -5.415 -12.472 -11.328 396 HD3 LYS 50 3HD LYS 50 -5.987 -13.932 -12.133 397 HE2 LYS 50 2HE LYS 50 -7.447 -12.436 -9.927 398 HE3 LYS 50 3HE LYS 50 -7.843 -12.404 -11.644 399 HZ1 LYS 50 3HZ LYS 50 -7.989 -14.769 -9.856 400 HZ2 LYS 50 1HZ LYS 50 -8.276 -14.800 -11.517 401 HZ3 LYS 50 2HZ LYS 50 -9.295 -13.916 -10.506 402 H GLN 51 H GLN 51 -2.372 -13.091 -7.616 403 HA GLN 51 HA GLN 51 -0.545 -15.294 -7.952 404 HB2 GLN 51 2HB GLN 51 0.402 -14.444 -10.112 405 HB3 GLN 51 3HB GLN 51 -1.207 -15.126 -10.254 406 HG2 GLN 51 2HG GLN 51 -2.185 -12.900 -10.410 407 HG3 GLN 51 3HG GLN 51 -0.612 -12.156 -10.141 408 HE21 GLN 51 1HE2 GLN 51 -1.119 -14.979 -12.231 409 HE22 GLN 51 2HE2 GLN 51 -0.759 -14.159 -13.708 410 H GLY 52 H GLY 52 1.451 -14.818 -7.284 411 HA2 GLY 52 2HA GLY 52 2.976 -12.572 -7.219 412 HA3 GLY 52 3HA GLY 52 1.920 -12.365 -5.820 413 H CYS 53 H CYS 53 3.184 -12.866 -4.053 414 HA CYS 53 HA CYS 53 3.753 -15.693 -3.709 415 HB2 CYS 53 2HB CYS 53 5.935 -14.803 -4.613 416 HB3 CYS 53 3HB CYS 53 6.040 -13.725 -3.217 417 H LYS 54 H LYS 54 4.478 -16.116 -1.396 418 HA LYS 54 HA LYS 54 2.605 -15.148 0.451 419 HB2 LYS 54 2HB LYS 54 3.728 -17.375 0.550 420 HB3 LYS 54 3HB LYS 54 5.246 -16.591 0.958 421 HG2 LYS 54 2HG LYS 54 4.152 -17.618 2.919 422 HG3 LYS 54 3HG LYS 54 4.345 -15.872 3.110 423 HD2 LYS 54 2HD LYS 54 1.997 -15.494 2.633 424 HD3 LYS 54 3HD LYS 54 1.761 -17.179 2.171 425 HE2 LYS 54 2HE LYS 54 2.548 -16.299 4.968 426 HE3 LYS 54 3HE LYS 54 0.885 -16.593 4.454 427 HZ1 LYS 54 3HZ LYS 54 1.466 -18.869 3.938 428 HZ2 LYS 54 1HZ LYS 54 1.848 -18.525 5.546 429 HZ3 LYS 54 2HZ LYS 54 3.074 -18.601 4.392 430 H ARG 55 H ARG 55 5.930 -14.174 -0.200 431 HA ARG 55 HA ARG 55 5.929 -12.149 1.944 432 HB2 ARG 55 2HB ARG 55 7.879 -13.854 1.277 433 HB3 ARG 55 3HB ARG 55 8.230 -12.683 0.028 434 HG2 ARG 55 2HG ARG 55 8.249 -12.093 3.005 435 HG3 ARG 55 3HG ARG 55 9.670 -12.494 2.045 436 HD2 ARG 55 2HD ARG 55 7.908 -10.055 1.721 437 HD3 ARG 55 3HD ARG 55 9.540 -10.098 2.395 438 HE ARG 55 HE ARG 55 9.863 -11.143 -0.092 439 HH11 ARG 55 1HH1 ARG 55 8.431 -8.144 1.075 440 HH12 ARG 55 2HH1 ARG 55 8.847 -7.265 -0.361 441 HH21 ARG 55 1HH2 ARG 55 10.447 -9.919 -1.950 442 HH22 ARG 55 2HH2 ARG 55 9.980 -8.258 -2.064 443 H SER 56 H SER 56 5.162 -10.150 1.391 444 HA SER 56 HA SER 56 5.558 -9.046 -1.309 445 HB2 SER 56 2HB SER 56 3.144 -8.316 -1.379 446 HB3 SER 56 3HB SER 56 3.350 -10.066 -1.445 447 HG SER 56 HG SER 56 2.993 -8.881 1.066 448 H ARG 57 H ARG 57 6.047 -6.933 -1.298 449 HA ARG 57 HA ARG 57 5.904 -5.357 1.217 450 HB2 ARG 57 2HB ARG 57 8.199 -5.960 0.442 451 HB3 ARG 57 3HB ARG 57 7.880 -5.206 -1.113 452 HG2 ARG 57 2HG ARG 57 7.706 -3.004 -0.001 453 HG3 ARG 57 3HG ARG 57 8.029 -3.771 1.559 454 HD2 ARG 57 2HD ARG 57 10.066 -2.730 0.633 455 HD3 ARG 57 3HD ARG 57 10.252 -4.477 0.771 456 HE ARG 57 HE ARG 57 10.403 -4.637 -1.526 457 HH11 ARG 57 1HH1 ARG 57 9.403 -1.356 -0.727 458 HH12 ARG 57 2HH1 ARG 57 9.645 -0.773 -2.337 459 HH21 ARG 57 1HH2 ARG 57 10.742 -3.822 -3.627 460 HH22 ARG 57 2HH2 ARG 57 10.397 -2.157 -3.967 461 H THR 58 H THR 58 5.213 -3.142 1.016 462 HA THR 58 HA THR 58 4.652 -2.097 -1.669 463 HB THR 58 HB THR 58 2.628 -1.780 0.591 464 HG1 THR 58 HG1 THR 58 1.348 -3.221 -0.700 465 HG21 THR 58 3HG2 THR 58 2.455 -1.115 -2.380 466 HG22 THR 58 1HG2 THR 58 2.628 0.065 -1.076 467 HG23 THR 58 2HG2 THR 58 1.162 -0.907 -1.199 468 H SER 59 H SER 59 6.078 -0.444 -1.739 469 HA SER 59 HA SER 59 6.296 1.461 0.501 470 HB2 SER 59 2HB SER 59 7.902 1.162 -2.075 471 HB3 SER 59 3HB SER 59 8.181 2.417 -0.868 472 HG SER 59 HG SER 59 8.733 0.861 0.617 473 H ILE 60 H ILE 60 5.070 3.241 0.468 474 HA ILE 60 HA ILE 60 3.910 4.243 -2.074 475 HB ILE 60 HB ILE 60 2.605 3.970 0.661 476 HG12 ILE 60 2HG1 ILE 60 1.781 2.911 -2.078 477 HG13 ILE 60 3HG1 ILE 60 2.435 1.959 -0.749 478 HG21 ILE 60 1HG2 ILE 60 2.071 6.213 -0.165 479 HG22 ILE 60 2HG2 ILE 60 0.648 5.182 -0.205 480 HG23 ILE 60 3HG2 ILE 60 1.518 5.534 -1.696 481 HD11 ILE 60 3HD1 ILE 60 0.051 1.655 -0.922 482 HD12 ILE 60 1HD1 ILE 60 -0.225 3.390 -0.767 483 HD13 ILE 60 2HD1 ILE 60 0.441 2.476 0.589 484 H THR 61 H THR 61 4.390 6.347 -2.510 485 HA THR 61 HA THR 61 5.872 8.008 -0.714 486 HB THR 61 HB THR 61 4.344 8.861 -3.212 487 HG1 THR 61 HG1 THR 61 6.642 7.388 -2.896 488 HG21 THR 61 3HG2 THR 61 5.085 10.763 -1.794 489 HG22 THR 61 1HG2 THR 61 5.961 10.710 -3.326 490 HG23 THR 61 2HG2 THR 61 6.739 10.149 -1.845 491 H ALA 62 H ALA 62 5.074 9.113 0.959 492 HA ALA 62 HA ALA 62 2.354 10.296 0.883 493 HB1 ALA 62 3HB ALA 62 2.572 8.588 2.620 494 HB2 ALA 62 1HB ALA 62 2.437 10.185 3.360 495 HB3 ALA 62 2HB ALA 62 4.011 9.385 3.259 496 H ARG 63 H ARG 63 2.245 12.511 1.303 497 HA ARG 63 HA ARG 63 4.785 13.956 1.022 498 HB2 ARG 63 2HB ARG 63 1.919 14.981 0.846 499 HB3 ARG 63 3HB ARG 63 3.356 15.955 0.579 500 HG2 ARG 63 2HG ARG 63 2.515 15.442 -1.572 501 HG3 ARG 63 3HG ARG 63 3.921 14.399 -1.361 502 HD2 ARG 63 2HD ARG 63 2.112 13.149 -2.406 503 HD3 ARG 63 3HD ARG 63 2.394 12.520 -0.784 504 HE ARG 63 HE ARG 63 0.405 13.783 -0.054 505 HH11 ARG 63 1HH1 ARG 63 0.678 13.089 -3.510 506 HH12 ARG 63 2HH1 ARG 63 -1.030 13.204 -3.790 507 HH21 ARG 63 1HH2 ARG 63 -1.817 13.911 -0.441 508 HH22 ARG 63 2HH2 ARG 63 -2.446 13.671 -2.036 509 H THR 64 H THR 64 2.289 13.330 3.371 510 HA THR 64 HA THR 64 3.826 14.772 5.454 511 HB THR 64 HB THR 64 1.696 15.421 6.576 512 HG1 THR 64 HG1 THR 64 0.430 14.523 4.181 513 HG21 THR 64 3HG2 THR 64 0.997 17.247 5.064 514 HG22 THR 64 1HG2 THR 64 1.830 16.462 3.718 515 HG23 THR 64 2HG2 THR 64 2.756 17.093 5.087 516 H LYS 65 H LYS 65 3.289 13.898 7.702 517 HA LYS 65 HA LYS 65 3.591 11.047 7.671 518 HB2 LYS 65 2HB LYS 65 3.811 11.242 10.151 519 HB3 LYS 65 3HB LYS 65 4.863 12.342 9.271 520 HG2 LYS 65 2HG LYS 65 3.317 14.211 9.712 521 HG3 LYS 65 3HG LYS 65 2.241 13.114 10.580 522 HD2 LYS 65 2HD LYS 65 3.590 14.413 12.160 523 HD3 LYS 65 3HD LYS 65 4.002 12.702 12.263 524 HE2 LYS 65 2HE LYS 65 6.039 13.089 10.969 525 HE3 LYS 65 3HE LYS 65 5.606 14.786 10.742 526 HZ1 LYS 65 3HZ LYS 65 6.113 13.498 13.374 527 HZ2 LYS 65 1HZ LYS 65 5.793 15.138 13.108 528 HZ3 LYS 65 2HZ LYS 65 7.226 14.451 12.535 529 H LYS 66 H LYS 66 0.838 13.165 8.337 530 HA LYS 66 HA LYS 66 -0.840 11.172 9.496 531 HB2 LYS 66 2HB LYS 66 -1.389 13.835 8.175 532 HB3 LYS 66 3HB LYS 66 -2.736 12.762 8.533 533 HG2 LYS 66 2HG LYS 66 -0.745 13.782 10.584 534 HG3 LYS 66 3HG LYS 66 -2.356 14.453 10.307 535 HD2 LYS 66 2HD LYS 66 -3.396 12.329 10.972 536 HD3 LYS 66 3HD LYS 66 -1.810 11.576 11.151 537 HE2 LYS 66 2HE LYS 66 -1.295 13.196 12.978 538 HE3 LYS 66 3HE LYS 66 -2.936 13.836 12.834 539 HZ1 LYS 66 3HZ LYS 66 -2.358 10.982 13.398 540 HZ2 LYS 66 1HZ LYS 66 -3.839 11.778 13.533 541 HZ3 LYS 66 2HZ LYS 66 -2.590 12.133 14.612 542 H GLU 67 H GLU 67 -0.034 12.006 6.183 543 HA GLU 67 HA GLU 67 -1.884 10.168 4.982 544 HB2 GLU 67 2HB GLU 67 0.662 11.415 3.864 545 HB3 GLU 67 3HB GLU 67 -0.502 10.475 2.928 546 HG2 GLU 67 2HG GLU 67 -2.259 12.128 3.402 547 HG3 GLU 67 3HG GLU 67 -1.131 13.063 4.384 548 H ALA 68 H ALA 68 1.589 10.016 5.847 549 HA ALA 68 HA ALA 68 2.255 7.513 4.865 550 HB1 ALA 68 3HB ALA 68 3.891 9.112 5.791 551 HB2 ALA 68 1HB ALA 68 4.097 7.508 6.496 552 HB3 ALA 68 2HB ALA 68 3.302 8.785 7.422 553 H GLU 69 H GLU 69 0.761 8.268 8.009 554 HA GLU 69 HA GLU 69 0.726 5.517 8.913 555 HB2 GLU 69 2HB GLU 69 -0.430 6.370 10.899 556 HB3 GLU 69 3HB GLU 69 0.958 7.390 10.522 557 HG2 GLU 69 2HG GLU 69 -0.569 9.029 9.439 558 HG3 GLU 69 3HG GLU 69 -1.937 8.014 9.890 559 H LYS 70 H LYS 70 -1.532 7.600 7.120 560 HA LYS 70 HA LYS 70 -3.831 5.952 7.743 561 HB2 LYS 70 2HB LYS 70 -5.185 7.392 6.492 562 HB3 LYS 70 3HB LYS 70 -3.955 8.455 7.148 563 HG2 LYS 70 2HG LYS 70 -2.806 8.451 4.945 564 HG3 LYS 70 3HG LYS 70 -4.085 7.426 4.295 565 HD2 LYS 70 2HD LYS 70 -5.752 9.231 4.744 566 HD3 LYS 70 3HD LYS 70 -4.470 10.251 5.403 567 HE2 LYS 70 2HE LYS 70 -3.352 10.266 3.199 568 HE3 LYS 70 3HE LYS 70 -4.629 9.244 2.539 569 HZ1 LYS 70 3HZ LYS 70 -4.881 11.653 2.044 570 HZ2 LYS 70 1HZ LYS 70 -5.093 11.938 3.694 571 HZ3 LYS 70 2HZ LYS 70 -6.212 10.992 2.856 572 H PHE 71 H PHE 71 -1.650 6.284 4.895 573 HA PHE 71 HA PHE 71 -2.853 4.229 3.323 574 HB2 PHE 71 2HB PHE 71 0.019 5.261 3.284 575 HB3 PHE 71 3HB PHE 71 -0.602 4.083 2.139 576 HD1 PHE 71 HD2 PHE 71 -1.249 7.516 3.343 577 HD2 PHE 71 HD1 PHE 71 -1.485 4.876 0.081 578 HE1 PHE 71 HE2 PHE 71 -1.821 9.404 1.907 579 HE2 PHE 71 HE1 PHE 71 -2.066 6.767 -1.382 580 HZ PHE 71 HZ PHE 71 -2.226 9.028 -0.476 581 H ALA 72 H ALA 72 -0.483 4.206 5.926 582 HA ALA 72 HA ALA 72 0.360 1.539 5.873 583 HB1 ALA 72 3HB ALA 72 -0.203 3.243 8.328 584 HB2 ALA 72 1HB ALA 72 1.297 3.246 7.403 585 HB3 ALA 72 2HB ALA 72 0.803 1.791 8.271 586 H ALA 73 H ALA 73 -2.394 3.010 7.625 587 HA ALA 73 HA ALA 73 -3.520 0.674 8.691 588 HB1 ALA 73 3HB ALA 73 -4.921 3.260 7.929 589 HB2 ALA 73 1HB ALA 73 -4.113 2.932 9.459 590 HB3 ALA 73 2HB ALA 73 -5.559 2.020 9.015 591 H ILE 74 H ILE 74 -4.059 2.287 5.584 592 HA ILE 74 HA ILE 74 -6.214 0.767 4.601 593 HB ILE 74 HB ILE 74 -3.999 2.296 3.114 594 HG12 ILE 74 2HG1 ILE 74 -6.912 3.108 3.578 595 HG13 ILE 74 3HG1 ILE 74 -5.596 3.596 4.634 596 HG21 ILE 74 1HG2 ILE 74 -6.589 1.171 1.957 597 HG22 ILE 74 2HG2 ILE 74 -4.957 0.616 1.574 598 HG23 ILE 74 3HG2 ILE 74 -5.469 2.239 1.110 599 HD11 ILE 74 3HD1 ILE 74 -5.862 4.305 1.710 600 HD12 ILE 74 1HD1 ILE 74 -4.545 4.798 2.781 601 HD13 ILE 74 2HD1 ILE 74 -6.188 5.360 3.084 602 H LEU 75 H LEU 75 -2.677 0.369 4.043 603 HA LEU 75 HA LEU 75 -2.772 -2.014 2.543 604 HB2 LEU 75 2HB LEU 75 -0.586 -0.740 4.217 605 HB3 LEU 75 3HB LEU 75 -0.306 -2.196 3.277 606 HG LEU 75 HG LEU 75 -1.207 0.446 2.056 607 HD11 LEU 75 1HD1 LEU 75 1.026 0.702 3.039 608 HD12 LEU 75 2HD1 LEU 75 1.114 0.719 1.281 609 HD13 LEU 75 3HD1 LEU 75 1.596 -0.726 2.173 610 HD21 LEU 75 3HD2 LEU 75 -0.201 -2.123 0.778 611 HD22 LEU 75 1HD2 LEU 75 -0.568 -0.623 -0.077 612 HD23 LEU 75 2HD2 LEU 75 -1.856 -1.505 0.737 613 H ILE 76 H ILE 76 -2.533 -1.528 6.066 614 HA ILE 76 HA ILE 76 -2.137 -4.201 6.861 615 HB ILE 76 HB ILE 76 -3.165 -1.714 8.223 616 HG12 ILE 76 2HG1 ILE 76 -1.459 -2.336 9.973 617 HG13 ILE 76 3HG1 ILE 76 -1.092 -3.793 9.065 618 HG21 ILE 76 1HG2 ILE 76 -3.799 -2.879 10.314 619 HG22 ILE 76 2HG2 ILE 76 -3.638 -4.430 9.491 620 HG23 ILE 76 3HG2 ILE 76 -4.880 -3.289 8.975 621 HD11 ILE 76 3HD1 ILE 76 0.601 -2.106 8.742 622 HD12 ILE 76 1HD1 ILE 76 -0.608 -0.958 8.172 623 HD13 ILE 76 2HD1 ILE 76 -0.244 -2.400 7.223 624 H LYS 77 H LYS 77 -5.093 -2.348 6.153 625 HA LYS 77 HA LYS 77 -6.974 -4.394 6.778 626 HB2 LYS 77 2HB LYS 77 -7.206 -1.850 5.128 627 HB3 LYS 77 3HB LYS 77 -8.582 -2.889 5.485 628 HG2 LYS 77 2HG LYS 77 -8.415 -2.435 7.858 629 HG3 LYS 77 3HG LYS 77 -6.869 -1.607 7.642 630 HD2 LYS 77 2HD LYS 77 -8.640 0.050 7.969 631 HD3 LYS 77 3HD LYS 77 -8.019 0.170 6.324 632 HE2 LYS 77 2HE LYS 77 -9.980 -1.118 5.511 633 HE3 LYS 77 3HE LYS 77 -10.596 -1.203 7.163 634 HZ1 LYS 77 3HZ LYS 77 -10.174 1.289 5.588 635 HZ2 LYS 77 1HZ LYS 77 -10.733 1.222 7.184 636 HZ3 LYS 77 2HZ LYS 77 -11.664 0.566 5.932 637 H VAL 78 H VAL 78 -5.400 -3.414 3.736 638 HA VAL 78 HA VAL 78 -6.869 -4.977 1.901 639 HB VAL 78 HB VAL 78 -3.964 -4.010 1.778 640 HG11 VAL 78 1HG1 VAL 78 -4.238 -5.900 0.221 641 HG12 VAL 78 2HG1 VAL 78 -4.033 -4.386 -0.660 642 HG13 VAL 78 3HG1 VAL 78 -5.637 -5.107 -0.508 643 HG21 VAL 78 3HG2 VAL 78 -4.828 -2.221 0.323 644 HG22 VAL 78 1HG2 VAL 78 -5.622 -2.193 1.896 645 HG23 VAL 78 2HG2 VAL 78 -6.466 -2.857 0.500 646 H TYR 79 H TYR 79 -3.860 -5.676 3.672 647 HA TYR 79 HA TYR 79 -3.635 -8.329 2.508 648 HB2 TYR 79 2HB TYR 79 -1.807 -6.811 4.396 649 HB3 TYR 79 3HB TYR 79 -1.445 -8.401 3.728 650 HD1 TYR 79 HD1 TYR 79 -2.704 -7.670 0.897 651 HD2 TYR 79 HD2 TYR 79 0.189 -5.795 3.366 652 HE1 TYR 79 HE1 TYR 79 -1.692 -6.658 -1.084 653 HE2 TYR 79 HE2 TYR 79 1.224 -4.751 1.384 654 HH TYR 79 HH TYR 79 1.353 -5.219 -1.060 655 H ALA 80 H ALA 80 -4.910 -6.993 5.441 656 HA ALA 80 HA ALA 80 -4.864 -9.339 7.058 657 HB1 ALA 80 3HB ALA 80 -6.901 -7.087 7.049 658 HB2 ALA 80 1HB ALA 80 -5.415 -7.136 7.995 659 HB3 ALA 80 2HB ALA 80 -6.704 -8.297 8.323 660 H GLU 81 H GLU 81 -7.071 -8.154 4.550 661 HA GLU 81 HA GLU 81 -9.028 -10.210 4.761 662 HB2 GLU 81 2HB GLU 81 -8.303 -8.485 2.360 663 HB3 GLU 81 3HB GLU 81 -9.768 -9.445 2.515 664 HG2 GLU 81 2HG GLU 81 -9.018 -7.110 4.296 665 HG3 GLU 81 3HG GLU 81 -10.137 -7.032 2.942 666 H LEU 82 H LEU 82 -5.869 -10.111 3.334 667 HA LEU 82 HA LEU 82 -6.194 -12.529 1.737 668 HB2 LEU 82 2HB LEU 82 -3.638 -11.036 2.493 669 HB3 LEU 82 3HB LEU 82 -3.784 -12.294 1.276 670 HG LEU 82 HG LEU 82 -4.925 -9.479 1.133 671 HD11 LEU 82 1HD1 LEU 82 -3.453 -9.257 -0.839 672 HD12 LEU 82 2HD1 LEU 82 -2.809 -10.873 -0.542 673 HD13 LEU 82 3HD1 LEU 82 -2.544 -9.579 0.639 674 HD21 LEU 82 3HD2 LEU 82 -5.360 -11.776 -0.804 675 HD22 LEU 82 1HD2 LEU 82 -5.776 -10.088 -1.117 676 HD23 LEU 82 2HD2 LEU 82 -6.582 -10.965 0.180 677 H GLY 83 H GLY 83 -5.135 -11.618 4.963 678 HA2 GLY 83 2HA GLY 83 -5.573 -14.019 6.191 679 HA3 GLY 83 3HA GLY 83 -3.916 -14.163 5.613 680 H TYR 84 H TYR 84 -5.520 -13.577 8.342 681 HA TYR 84 HA TYR 84 -3.983 -11.354 9.387 682 HB2 TYR 84 2HB TYR 84 -5.795 -13.353 10.809 683 HB3 TYR 84 3HB TYR 84 -5.015 -11.982 11.595 684 HD1 TYR 84 HD2 TYR 84 -7.371 -12.826 8.817 685 HD2 TYR 84 HD1 TYR 84 -6.153 -9.868 11.648 686 HE1 TYR 84 HE2 TYR 84 -9.262 -11.436 8.176 687 HE2 TYR 84 HE1 TYR 84 -8.082 -8.471 11.006 688 HH TYR 84 HH TYR 84 -10.652 -9.632 9.099 689 H ASN 85 H ASN 85 -1.888 -12.209 8.831 690 HA ASN 85 HA ASN 85 -0.838 -14.433 10.490 691 HB2 ASN 85 2HB ASN 85 0.478 -12.928 8.162 692 HB3 ASN 85 3HB ASN 85 1.179 -14.289 9.025 693 HD21 ASN 85 1HD2 ASN 85 -1.345 -13.310 6.801 694 HD22 ASN 85 2HD2 ASN 85 -1.653 -14.886 6.162 695 H ASP 86 H ASP 86 0.574 -11.417 9.286 696 HA ASP 86 HA ASP 86 0.566 -9.877 11.607 697 HB2 ASP 86 2HB ASP 86 2.262 -11.586 12.419 698 HB3 ASP 86 3HB ASP 86 3.302 -11.152 11.067 699 H ILE 87 H ILE 87 0.703 -7.844 10.755 700 HA ILE 87 HA ILE 87 2.032 -7.509 8.128 701 HB ILE 87 HB ILE 87 -0.019 -5.577 9.300 702 HG12 ILE 87 2HG1 ILE 87 -1.145 -7.790 9.043 703 HG13 ILE 87 3HG1 ILE 87 -1.775 -6.607 7.909 704 HG21 ILE 87 1HG2 ILE 87 0.970 -6.006 6.454 705 HG22 ILE 87 2HG2 ILE 87 1.416 -4.675 7.522 706 HG23 ILE 87 3HG2 ILE 87 -0.246 -4.827 6.956 707 HD11 ILE 87 3HD1 ILE 87 0.147 -8.845 7.270 708 HD12 ILE 87 1HD1 ILE 87 -0.450 -7.650 6.113 709 HD13 ILE 87 2HD1 ILE 87 -1.570 -8.776 6.877 710 H ASN 88 H ASN 88 3.924 -6.523 8.212 711 HA ASN 88 HA ASN 88 4.790 -4.841 10.446 712 HB2 ASN 88 2HB ASN 88 6.197 -5.961 7.979 713 HB3 ASN 88 3HB ASN 88 6.965 -4.778 9.025 714 HD21 ASN 88 1HD2 ASN 88 4.912 -7.338 10.359 715 HD22 ASN 88 2HD2 ASN 88 6.212 -8.215 11.072 716 H VAL 89 H VAL 89 5.400 -2.665 10.204 717 HA VAL 89 HA VAL 89 5.010 -1.331 7.601 718 HB VAL 89 HB VAL 89 2.930 -0.954 8.891 719 HG11 VAL 89 1HG1 VAL 89 2.869 0.347 10.959 720 HG12 VAL 89 2HG1 VAL 89 4.632 0.424 10.990 721 HG13 VAL 89 3HG1 VAL 89 3.815 -1.128 11.181 722 HG21 VAL 89 3HG2 VAL 89 4.584 1.579 8.608 723 HG22 VAL 89 1HG2 VAL 89 2.822 1.496 8.684 724 HG23 VAL 89 2HG2 VAL 89 3.681 0.778 7.321 725 H THR 90 H THR 90 6.370 0.439 7.251 726 HA THR 90 HA THR 90 8.272 1.287 9.320 727 HB THR 90 HB THR 90 9.129 0.320 6.539 728 HG1 THR 90 HG1 THR 90 9.035 -0.903 9.033 729 HG21 THR 90 3HG2 THR 90 10.528 2.203 7.323 730 HG22 THR 90 1HG2 THR 90 11.441 0.691 7.337 731 HG23 THR 90 2HG2 THR 90 10.819 1.360 8.847 732 H TRP 91 H TRP 91 7.700 3.414 9.375 733 HA TRP 91 HA TRP 91 7.198 4.938 6.921 734 HB2 TRP 91 2HB TRP 91 7.248 5.827 9.850 735 HB3 TRP 91 3HB TRP 91 6.708 6.806 8.488 736 HD1 TRP 91 HD1 TRP 91 4.440 5.787 7.156 737 HE1 TRP 91 HE1 TRP 91 2.363 4.677 8.167 738 HE3 TRP 91 HE3 TRP 91 6.374 4.382 11.679 739 HZ2 TRP 91 HZ2 TRP 91 1.615 3.386 10.550 740 HZ3 TRP 91 HZ3 TRP 91 4.908 3.203 13.271 741 HH2 TRP 91 HH2 TRP 91 2.575 2.714 12.716 742 H ASP 92 H ASP 92 9.066 5.215 5.827 743 HA ASP 92 HA ASP 92 11.388 6.518 7.123 744 HB2 ASP 92 2HB ASP 92 11.992 4.163 7.084 745 HB3 ASP 92 3HB ASP 92 11.407 3.969 5.437 746 H GLY 93 H GLY 93 12.085 8.207 5.957 747 HA2 GLY 93 2HA GLY 93 12.459 9.700 4.262 748 HA3 GLY 93 3HA GLY 93 12.382 8.337 3.157 749 H ASP 94 H ASP 94 9.861 9.584 5.303 750 HA ASP 94 HA ASP 94 7.707 10.189 5.021 751 HB2 ASP 94 2HB ASP 94 8.707 11.420 2.414 752 HB3 ASP 94 3HB ASP 94 7.170 11.796 3.185 753 H THR 95 H THR 95 8.717 7.630 3.824 754 HA THR 95 HA THR 95 6.515 7.046 1.924 755 HB THR 95 HB THR 95 9.297 5.767 2.070 756 HG1 THR 95 HG1 THR 95 9.309 7.887 1.184 757 HG21 THR 95 3HG2 THR 95 8.664 4.645 -0.044 758 HG22 THR 95 1HG2 THR 95 7.039 5.323 0.078 759 HG23 THR 95 2HG2 THR 95 7.602 4.155 1.277 760 H VAL 96 H VAL 96 5.104 5.516 2.645 761 HA VAL 96 HA VAL 96 5.752 4.001 5.076 762 HB VAL 96 HB VAL 96 3.599 5.025 5.201 763 HG11 VAL 96 1HG1 VAL 96 2.824 3.736 2.572 764 HG12 VAL 96 2HG1 VAL 96 3.155 5.449 2.830 765 HG13 VAL 96 3HG1 VAL 96 1.764 4.694 3.612 766 HG21 VAL 96 3HG2 VAL 96 3.729 2.755 6.130 767 HG22 VAL 96 1HG2 VAL 96 3.183 2.079 4.593 768 HG23 VAL 96 2HG2 VAL 96 2.103 3.102 5.543 769 H THR 97 H THR 97 6.880 2.267 4.708 770 HA THR 97 HA THR 97 6.384 0.463 2.443 771 HB THR 97 HB THR 97 8.718 0.617 4.417 772 HG1 THR 97 HG1 THR 97 9.631 1.907 2.980 773 HG21 THR 97 3HG2 THR 97 9.906 -0.878 2.856 774 HG22 THR 97 1HG2 THR 97 8.466 -0.996 1.840 775 HG23 THR 97 2HG2 THR 97 8.456 -1.669 3.473 776 H VAL 98 H VAL 98 4.655 -0.736 3.079 777 HA VAL 98 HA VAL 98 4.584 -2.067 5.689 778 HB VAL 98 HB VAL 98 2.559 -1.721 3.447 779 HG11 VAL 98 1HG1 VAL 98 2.256 -3.655 5.767 780 HG12 VAL 98 2HG1 VAL 98 2.333 -4.083 4.057 781 HG13 VAL 98 3HG1 VAL 98 0.958 -3.167 4.676 782 HG21 VAL 98 3HG2 VAL 98 2.741 0.067 5.139 783 HG22 VAL 98 1HG2 VAL 98 2.458 -1.112 6.424 784 HG23 VAL 98 2HG2 VAL 98 1.183 -0.755 5.259 785 H GLU 99 H GLU 99 5.260 -4.090 5.946 786 HA GLU 99 HA GLU 99 5.961 -5.713 3.573 787 HB2 GLU 99 2HB GLU 99 7.897 -4.860 4.897 788 HB3 GLU 99 3HB GLU 99 7.257 -5.647 6.335 789 HG2 GLU 99 2HG GLU 99 9.126 -6.897 5.290 790 HG3 GLU 99 3HG GLU 99 7.637 -7.839 5.367 791 H GLY 100 H GLY 100 5.151 -7.738 3.467 792 HA2 GLY 100 2HA GLY 100 3.210 -8.673 5.432 793 HA3 GLY 100 3HA GLY 100 3.631 -9.436 3.901 794 H GLN 101 H GLN 101 4.120 -9.524 7.288 795 HA GLN 101 HA GLN 101 6.748 -10.671 7.306 796 HB2 GLN 101 2HB GLN 101 5.885 -9.403 9.250 797 HB3 GLN 101 3HB GLN 101 4.652 -10.630 9.526 798 HG2 GLN 101 2HG GLN 101 6.412 -12.297 9.995 799 HG3 GLN 101 3HG GLN 101 7.652 -11.086 9.685 800 HE21 GLN 101 1HE2 GLN 101 5.286 -12.253 11.966 801 HE22 GLN 101 2HE2 GLN 101 5.780 -11.252 13.285 802 H LEU 102 H LEU 102 7.329 -12.718 7.051 803 HA LEU 102 HA LEU 102 5.532 -14.831 6.460 804 HB2 LEU 102 2HB LEU 102 7.834 -14.757 5.589 805 HB3 LEU 102 3HB LEU 102 8.478 -14.864 7.218 806 HG LEU 102 HG LEU 102 7.435 -17.170 7.405 807 HD11 LEU 102 1HD1 LEU 102 6.783 -18.365 5.372 808 HD12 LEU 102 2HD1 LEU 102 6.938 -16.880 4.431 809 HD13 LEU 102 3HD1 LEU 102 5.710 -17.003 5.693 810 HD21 LEU 102 3HD2 LEU 102 9.183 -18.295 6.110 811 HD22 LEU 102 1HD2 LEU 102 9.815 -16.882 6.954 812 HD23 LEU 102 2HD2 LEU 102 9.499 -16.805 5.218 813 H GLU 103 H GLU 103 4.110 -15.281 8.049 814 HA GLU 103 HA GLU 103 5.142 -16.498 10.542 815 HB2 GLU 103 2HB GLU 103 4.016 -14.074 10.741 816 HB3 GLU 103 3HB GLU 103 2.510 -14.952 10.562 817 HG2 GLU 103 2HG GLU 103 4.561 -15.277 12.773 818 HG3 GLU 103 3HG GLU 103 2.970 -14.541 12.915 819 H GLY 104 H GLY 104 4.366 -18.523 10.754 820 HA2 GLY 104 2HA GLY 104 1.823 -19.367 9.626 821 HA3 GLY 104 3HA GLY 104 3.251 -20.033 8.842 822 H VAL 105 H VAL 105 1.058 -20.404 11.353 823 HA VAL 105 HA VAL 105 2.617 -22.001 13.135 824 HB VAL 105 HB VAL 105 0.651 -20.891 14.015 825 HG11 VAL 105 1HG1 VAL 105 -1.083 -22.471 12.091 826 HG12 VAL 105 2HG1 VAL 105 -0.726 -20.748 11.978 827 HG13 VAL 105 3HG1 VAL 105 -1.661 -21.364 13.343 828 HG21 VAL 105 3HG2 VAL 105 -0.525 -22.751 15.136 829 HG22 VAL 105 1HG2 VAL 105 1.220 -23.035 15.071 830 HG23 VAL 105 2HG2 VAL 105 0.144 -23.883 13.961 831 H ASP 106 H ASP 106 3.618 -23.738 12.241 832 HA ASP 106 HA ASP 106 2.154 -25.931 11.066 833 HB2 ASP 106 2HB ASP 106 2.262 -24.495 9.094 834 HB3 ASP 106 3HB ASP 106 3.986 -24.220 9.325 Start of MODEL 3 1 H1 MET 1 1H MET 1 16.099 22.959 -3.383 2 H2 MET 1 2H MET 1 16.140 24.633 -3.627 3 H3 MET 1 3H MET 1 17.570 23.784 -3.322 4 HA MET 1 HA MET 1 15.841 23.441 -5.691 5 HB2 MET 1 2HB MET 1 18.544 24.825 -5.404 6 HB3 MET 1 3HB MET 1 17.768 24.477 -6.944 7 HG2 MET 1 2HG MET 1 15.881 25.950 -6.307 8 HG3 MET 1 3HG MET 1 16.713 26.324 -4.793 9 HE1 MET 1 3HE MET 1 15.751 28.667 -6.639 10 HE2 MET 1 1HE MET 1 17.182 29.686 -6.774 11 HE3 MET 1 2HE MET 1 16.744 28.984 -5.216 12 H HIS 2 H HIS 2 15.985 21.396 -6.376 13 HA HIS 2 HA HIS 2 18.576 20.010 -6.505 14 HB2 HIS 2 2HB HIS 2 17.491 19.260 -4.371 15 HB3 HIS 2 3HB HIS 2 16.073 18.750 -5.276 16 HD1 HIS 2 HD1 HIS 2 16.043 16.290 -5.619 17 HD2 HIS 2 HD2 HIS 2 19.934 17.751 -5.451 18 HE1 HIS 2 HE1 HIS 2 17.537 14.281 -5.813 19 HE2 HIS 2 HE2 HIS 2 19.871 15.209 -5.855 20 H HIS 3 H HIS 3 18.802 18.925 -8.431 21 HA HIS 3 HA HIS 3 16.745 19.167 -10.436 22 HB2 HIS 3 2HB HIS 3 19.487 17.859 -10.559 23 HB3 HIS 3 3HB HIS 3 18.405 18.017 -11.939 24 HD1 HIS 3 HD1 HIS 3 17.695 20.674 -12.417 25 HD2 HIS 3 HD2 HIS 3 21.248 19.952 -10.383 26 HE1 HIS 3 HE1 HIS 3 19.053 22.771 -12.657 27 HE2 HIS 3 HE2 HIS 3 21.138 22.355 -11.320 28 H HIS 4 H HIS 4 15.089 17.972 -9.637 29 HA HIS 4 HA HIS 4 15.017 15.166 -10.377 30 HB2 HIS 4 2HB HIS 4 15.693 15.034 -7.973 31 HB3 HIS 4 3HB HIS 4 14.329 16.048 -7.522 32 HD1 HIS 4 HD1 HIS 4 15.268 12.534 -8.313 33 HD2 HIS 4 HD2 HIS 4 11.797 14.713 -7.593 34 HE1 HIS 4 HE1 HIS 4 13.470 10.834 -7.866 35 HE2 HIS 4 HE2 HIS 4 11.377 12.179 -7.478 36 H HIS 5 H HIS 5 12.862 14.559 -10.926 37 HA HIS 5 HA HIS 5 11.256 16.666 -11.897 38 HB2 HIS 5 2HB HIS 5 10.679 13.691 -11.673 39 HB3 HIS 5 3HB HIS 5 9.632 14.829 -12.520 40 HD1 HIS 5 HD1 HIS 5 12.104 12.457 -13.290 41 HD2 HIS 5 HD2 HIS 5 11.433 16.372 -14.501 42 HE1 HIS 5 HE1 HIS 5 13.392 12.739 -15.428 43 HE2 HIS 5 HE2 HIS 5 12.816 15.051 -16.225 44 H HIS 6 H HIS 6 10.451 18.021 -10.450 45 HA HIS 6 HA HIS 6 9.488 17.315 -7.855 46 HB2 HIS 6 2HB HIS 6 9.349 19.945 -9.388 47 HB3 HIS 6 3HB HIS 6 8.877 19.761 -7.703 48 HD1 HIS 6 HD1 HIS 6 10.866 19.022 -6.043 49 HD2 HIS 6 HD2 HIS 6 12.003 20.517 -9.751 50 HE1 HIS 6 HE1 HIS 6 13.283 19.635 -5.816 51 HE2 HIS 6 HE2 HIS 6 13.931 20.579 -8.051 52 H HIS 7 H HIS 7 7.442 17.534 -7.036 53 HA HIS 7 HA HIS 7 5.119 17.749 -8.833 54 HB2 HIS 7 2HB HIS 7 5.655 15.443 -6.891 55 HB3 HIS 7 3HB HIS 7 4.083 15.764 -7.619 56 HD1 HIS 7 HD1 HIS 7 6.924 13.675 -8.108 57 HD2 HIS 7 HD2 HIS 7 4.391 15.766 -10.660 58 HE1 HIS 7 HE1 HIS 7 7.235 12.640 -10.380 59 HE2 HIS 7 HE2 HIS 7 5.623 13.866 -11.873 60 H ARG 8 H ARG 8 3.957 19.367 -8.010 61 HA ARG 8 HA ARG 8 4.553 20.634 -5.555 62 HB2 ARG 8 2HB ARG 8 3.664 21.840 -7.543 63 HB3 ARG 8 3HB ARG 8 2.118 21.011 -7.363 64 HG2 ARG 8 2HG ARG 8 1.789 22.101 -5.169 65 HG3 ARG 8 3HG ARG 8 3.343 22.913 -5.336 66 HD2 ARG 8 2HD ARG 8 2.529 24.216 -7.207 67 HD3 ARG 8 3HD ARG 8 1.018 23.299 -7.246 68 HE ARG 8 HE ARG 8 0.706 24.216 -4.879 69 HH11 ARG 8 1HH1 ARG 8 2.317 26.078 -7.410 70 HH12 ARG 8 2HH1 ARG 8 1.864 27.606 -6.725 71 HH21 ARG 8 1HH2 ARG 8 0.104 26.218 -4.026 72 HH22 ARG 8 2HH2 ARG 8 0.613 27.681 -4.810 73 H SER 9 H SER 9 1.750 18.662 -6.533 74 HA SER 9 HA SER 9 0.593 18.576 -3.882 75 HB2 SER 9 2HB SER 9 -0.116 16.987 -6.392 76 HB3 SER 9 3HB SER 9 -1.108 17.134 -4.931 77 HG SER 9 HG SER 9 -1.169 19.415 -5.356 78 H GLY 10 H GLY 10 3.132 16.928 -5.388 79 HA2 GLY 10 2HA GLY 10 4.460 15.164 -4.784 80 HA3 GLY 10 3HA GLY 10 3.595 15.113 -3.251 81 H ASP 11 H ASP 11 3.266 14.245 -6.686 82 HA ASP 11 HA ASP 11 0.973 12.658 -6.524 83 HB2 ASP 11 2HB ASP 11 3.263 12.559 -8.543 84 HB3 ASP 11 3HB ASP 11 1.727 11.713 -8.749 85 H ILE 12 H ILE 12 0.602 10.698 -5.848 86 HA ILE 12 HA ILE 12 2.510 9.373 -4.193 87 HB ILE 12 HB ILE 12 -0.271 8.356 -4.960 88 HG12 ILE 12 2HG1 ILE 12 0.318 10.228 -2.614 89 HG13 ILE 12 3HG1 ILE 12 -0.302 10.793 -4.161 90 HG21 ILE 12 1HG2 ILE 12 1.104 6.742 -3.739 91 HG22 ILE 12 2HG2 ILE 12 -0.217 7.310 -2.719 92 HG23 ILE 12 3HG2 ILE 12 1.417 7.928 -2.467 93 HD11 ILE 12 3HD1 ILE 12 -2.074 10.581 -2.513 94 HD12 ILE 12 1HD1 ILE 12 -1.716 8.866 -2.306 95 HD13 ILE 12 2HD1 ILE 12 -2.331 9.463 -3.853 96 H GLN 13 H GLN 13 4.104 8.292 -5.284 97 HA GLN 13 HA GLN 13 3.532 6.442 -7.461 98 HB2 GLN 13 2HB GLN 13 5.615 7.795 -7.487 99 HB3 GLN 13 3HB GLN 13 6.140 7.033 -5.988 100 HG2 GLN 13 2HG GLN 13 6.277 4.852 -7.125 101 HG3 GLN 13 3HG GLN 13 5.692 5.576 -8.623 102 HE21 GLN 13 1HE2 GLN 13 8.194 4.152 -8.148 103 HE22 GLN 13 2HE2 GLN 13 9.462 5.246 -8.565 104 H VAL 14 H VAL 14 2.823 4.514 -7.049 105 HA VAL 14 HA VAL 14 3.182 3.131 -4.459 106 HB VAL 14 HB VAL 14 1.093 2.598 -6.640 107 HG11 VAL 14 1HG1 VAL 14 -0.104 1.327 -4.894 108 HG12 VAL 14 2HG1 VAL 14 1.192 1.672 -3.745 109 HG13 VAL 14 3HG1 VAL 14 1.515 0.672 -5.164 110 HG21 VAL 14 3HG2 VAL 14 0.752 4.248 -4.112 111 HG22 VAL 14 1HG2 VAL 14 -0.540 3.800 -5.232 112 HG23 VAL 14 2HG2 VAL 14 0.761 4.866 -5.767 113 H GLN 15 H GLN 15 4.649 1.452 -4.569 114 HA GLN 15 HA GLN 15 4.731 -0.207 -7.022 115 HB2 GLN 15 2HB GLN 15 7.166 0.691 -5.409 116 HB3 GLN 15 3HB GLN 15 7.198 -0.554 -6.659 117 HG2 GLN 15 2HG GLN 15 6.307 1.223 -8.264 118 HG3 GLN 15 3HG GLN 15 6.642 2.405 -7.001 119 HE21 GLN 15 1HE2 GLN 15 8.032 0.189 -9.307 120 HE22 GLN 15 2HE2 GLN 15 9.646 0.805 -9.229 121 H ASN 16 H ASN 16 3.968 -2.111 -6.495 122 HA ASN 16 HA ASN 16 4.469 -3.282 -3.835 123 HB2 ASN 16 2HB ASN 16 2.099 -3.159 -4.348 124 HB3 ASN 16 3HB ASN 16 2.344 -3.859 -5.945 125 HD21 ASN 16 1HD2 ASN 16 2.634 -4.595 -2.477 126 HD22 ASN 16 2HD2 ASN 16 2.300 -6.280 -2.634 127 H ASN 17 H ASN 17 6.182 -4.477 -3.816 128 HA ASN 17 HA ASN 17 6.864 -6.332 -6.026 129 HB2 ASN 17 2HB ASN 17 8.577 -4.540 -5.708 130 HB3 ASN 17 3HB ASN 17 8.714 -4.950 -4.003 131 HD21 ASN 17 1HD2 ASN 17 9.786 -6.910 -3.422 132 HD22 ASN 17 2HD2 ASN 17 10.833 -7.723 -4.536 133 H ASN 18 H ASN 18 6.252 -8.322 -5.388 134 HA ASN 18 HA ASN 18 5.931 -8.950 -2.517 135 HB2 ASN 18 2HB ASN 18 4.789 -10.340 -4.991 136 HB3 ASN 18 3HB ASN 18 4.432 -10.766 -3.319 137 HD21 ASN 18 1HD2 ASN 18 2.699 -9.835 -5.547 138 HD22 ASN 18 2HD2 ASN 18 1.870 -8.453 -4.927 139 H THR 19 H THR 19 6.995 -10.703 -1.600 140 HA THR 19 HA THR 19 9.230 -11.816 -3.162 141 HB THR 19 HB THR 19 10.027 -12.654 -0.926 142 HG1 THR 19 HG1 THR 19 7.523 -12.141 -0.179 143 HG21 THR 19 3HG2 THR 19 10.604 -10.453 0.041 144 HG22 THR 19 1HG2 THR 19 9.365 -9.684 -0.950 145 HG23 THR 19 2HG2 THR 19 10.771 -10.427 -1.717 146 H CYS 20 H CYS 20 8.710 -13.508 -4.292 147 HA CYS 20 HA CYS 20 7.803 -16.004 -3.773 148 HB2 CYS 20 2HB CYS 20 5.337 -15.924 -4.442 149 HB3 CYS 20 3HB CYS 20 5.668 -15.213 -2.863 150 H ASN 21 H ASN 21 8.009 -17.129 -5.737 151 HA ASN 21 HA ASN 21 8.419 -15.709 -8.231 152 HB2 ASN 21 2HB ASN 21 8.227 -18.710 -7.681 153 HB3 ASN 21 3HB ASN 21 8.663 -18.010 -9.236 154 HD21 ASN 21 1HD2 ASN 21 10.673 -18.996 -9.281 155 HD22 ASN 21 2HD2 ASN 21 11.970 -18.540 -8.231 156 H GLY 22 H GLY 22 6.382 -14.622 -8.300 157 HA2 GLY 22 2HA GLY 22 4.278 -15.969 -9.731 158 HA3 GLY 22 3HA GLY 22 3.843 -15.632 -8.059 159 H LYS 23 H LYS 23 5.860 -13.134 -8.786 160 HA LYS 23 HA LYS 23 3.710 -11.249 -9.093 161 HB2 LYS 23 2HB LYS 23 5.868 -10.756 -7.837 162 HB3 LYS 23 3HB LYS 23 6.702 -10.697 -9.387 163 HG2 LYS 23 2HG LYS 23 5.147 -8.813 -10.061 164 HG3 LYS 23 3HG LYS 23 4.502 -8.833 -8.420 165 HD2 LYS 23 2HD LYS 23 6.147 -7.059 -8.570 166 HD3 LYS 23 3HD LYS 23 6.811 -8.339 -7.551 167 HE2 LYS 23 2HE LYS 23 8.110 -9.172 -9.530 168 HE3 LYS 23 3HE LYS 23 7.492 -7.809 -10.468 169 HZ1 LYS 23 3HZ LYS 23 9.691 -7.331 -9.625 170 HZ2 LYS 23 1HZ LYS 23 9.197 -7.627 -8.031 171 HZ3 LYS 23 2HZ LYS 23 8.572 -6.304 -8.886 172 H THR 24 H THR 24 2.643 -11.547 -10.979 173 HA THR 24 HA THR 24 3.795 -12.241 -13.484 174 HB THR 24 HB THR 24 1.018 -11.124 -12.857 175 HG1 THR 24 HG1 THR 24 2.185 -13.450 -12.249 176 HG21 THR 24 3HG2 THR 24 0.293 -12.205 -14.945 177 HG22 THR 24 1HG2 THR 24 1.947 -12.720 -15.282 178 HG23 THR 24 2HG2 THR 24 1.536 -11.002 -15.290 179 H PHE 25 H PHE 25 2.054 -9.255 -12.565 180 HA PHE 25 HA PHE 25 3.704 -7.642 -14.421 181 HB2 PHE 25 2HB PHE 25 1.223 -7.440 -14.650 182 HB3 PHE 25 3HB PHE 25 1.093 -6.979 -12.960 183 HD1 PHE 25 HD1 PHE 25 2.652 -5.875 -16.198 184 HD2 PHE 25 HD2 PHE 25 1.091 -4.673 -12.396 185 HE1 PHE 25 HE1 PHE 25 2.808 -3.509 -16.865 186 HE2 PHE 25 HE2 PHE 25 1.257 -2.320 -13.071 187 HZ PHE 25 HZ PHE 25 2.112 -1.735 -15.304 188 H ASP 26 H ASP 26 5.154 -6.108 -13.536 189 HA ASP 26 HA ASP 26 5.510 -6.033 -10.654 190 HB2 ASP 26 2HB ASP 26 7.506 -5.756 -12.091 191 HB3 ASP 26 3HB ASP 26 6.820 -4.295 -12.798 192 H TYR 27 H TYR 27 4.175 -4.906 -9.398 193 HA TYR 27 HA TYR 27 2.040 -3.443 -10.679 194 HB2 TYR 27 2HB TYR 27 2.386 -4.148 -7.738 195 HB3 TYR 27 3HB TYR 27 0.888 -3.674 -8.529 196 HD1 TYR 27 HD1 TYR 27 0.348 -5.300 -10.711 197 HD2 TYR 27 HD2 TYR 27 2.565 -6.456 -7.239 198 HE1 TYR 27 HE1 TYR 27 -0.187 -7.665 -11.145 199 HE2 TYR 27 HE2 TYR 27 2.020 -8.817 -7.666 200 HH TYR 27 HH TYR 27 0.278 -10.127 -8.886 201 H THR 28 H THR 28 3.474 -1.619 -11.292 202 HA THR 28 HA THR 28 3.835 0.413 -9.171 203 HB THR 28 HB THR 28 5.042 0.316 -11.976 204 HG1 THR 28 HG1 THR 28 5.967 -1.218 -10.514 205 HG21 THR 28 3HG2 THR 28 6.439 2.232 -11.214 206 HG22 THR 28 1HG2 THR 28 5.549 2.275 -9.690 207 HG23 THR 28 2HG2 THR 28 4.725 2.655 -11.204 208 H TYR 29 H TYR 29 2.411 2.042 -9.114 209 HA TYR 29 HA TYR 29 0.933 2.967 -11.500 210 HB2 TYR 29 2HB TYR 29 -0.466 2.479 -8.817 211 HB3 TYR 29 3HB TYR 29 -1.216 2.903 -10.349 212 HD1 TYR 29 HD1 TYR 29 -1.100 1.124 -12.270 213 HD2 TYR 29 HD2 TYR 29 -0.285 0.185 -8.176 214 HE1 TYR 29 HE1 TYR 29 -1.453 -1.271 -12.737 215 HE2 TYR 29 HE2 TYR 29 -0.641 -2.196 -8.645 216 HH TYR 29 HH TYR 29 -1.868 -3.574 -10.307 217 H THR 30 H THR 30 0.388 5.257 -11.342 218 HA THR 30 HA THR 30 1.377 6.672 -8.922 219 HB THR 30 HB THR 30 1.776 7.666 -11.780 220 HG1 THR 30 HG1 THR 30 3.182 5.953 -11.402 221 HG21 THR 30 3HG2 THR 30 3.240 9.382 -10.733 222 HG22 THR 30 1HG2 THR 30 2.824 8.771 -9.133 223 HG23 THR 30 2HG2 THR 30 1.581 9.517 -10.143 224 H VAL 31 H VAL 31 -0.395 7.405 -7.994 225 HA VAL 31 HA VAL 31 -2.529 8.752 -9.572 226 HB VAL 31 HB VAL 31 -4.048 8.276 -7.631 227 HG11 VAL 31 1HG1 VAL 31 -4.379 5.867 -8.071 228 HG12 VAL 31 2HG1 VAL 31 -2.797 5.783 -8.852 229 HG13 VAL 31 3HG1 VAL 31 -4.083 6.764 -9.561 230 HG21 VAL 31 3HG2 VAL 31 -3.381 6.627 -5.901 231 HG22 VAL 31 1HG2 VAL 31 -2.382 8.081 -5.833 232 HG23 VAL 31 2HG2 VAL 31 -1.739 6.601 -6.553 233 H THR 32 H THR 32 -3.277 10.801 -8.794 234 HA THR 32 HA THR 32 -1.322 12.246 -7.143 235 HB THR 32 HB THR 32 -2.053 13.277 -9.276 236 HG1 THR 32 HG1 THR 32 -2.515 14.597 -6.822 237 HG21 THR 32 3HG2 THR 32 -4.277 14.300 -9.502 238 HG22 THR 32 1HG2 THR 32 -4.779 13.586 -7.974 239 HG23 THR 32 2HG2 THR 32 -4.409 12.543 -9.353 240 H THR 33 H THR 33 -4.439 10.798 -6.805 241 HA THR 33 HA THR 33 -4.956 12.244 -4.260 242 HB THR 33 HB THR 33 -7.117 10.994 -6.009 243 HG1 THR 33 HG1 THR 33 -6.185 12.567 -7.266 244 HG21 THR 33 3HG2 THR 33 -7.273 13.153 -3.860 245 HG22 THR 33 1HG2 THR 33 -7.772 11.466 -3.659 246 HG23 THR 33 2HG2 THR 33 -8.631 12.516 -4.788 247 H GLU 34 H GLU 34 -5.819 11.068 -2.559 248 HA GLU 34 HA GLU 34 -4.847 8.416 -2.165 249 HB2 GLU 34 2HB GLU 34 -6.685 10.130 -0.427 250 HB3 GLU 34 3HB GLU 34 -5.931 8.631 0.086 251 HG2 GLU 34 2HG GLU 34 -4.583 10.267 1.037 252 HG3 GLU 34 3HG GLU 34 -3.687 9.764 -0.383 253 H SER 35 H SER 35 -7.988 9.822 -2.845 254 HA SER 35 HA SER 35 -9.721 7.692 -2.406 255 HB2 SER 35 2HB SER 35 -10.519 9.970 -2.912 256 HB3 SER 35 3HB SER 35 -9.876 9.861 -4.549 257 HG SER 35 HG SER 35 -11.831 8.095 -3.496 258 H GLU 36 H GLU 36 -7.819 8.520 -5.284 259 HA GLU 36 HA GLU 36 -8.713 6.461 -7.022 260 HB2 GLU 36 2HB GLU 36 -6.034 7.918 -7.067 261 HB3 GLU 36 3HB GLU 36 -6.800 7.086 -8.421 262 HG2 GLU 36 2HG GLU 36 -8.618 8.750 -8.415 263 HG3 GLU 36 3HG GLU 36 -7.861 9.578 -7.051 264 H LEU 37 H LEU 37 -6.151 6.691 -4.646 265 HA LEU 37 HA LEU 37 -4.700 4.352 -5.335 266 HB2 LEU 37 2HB LEU 37 -3.689 6.186 -4.126 267 HB3 LEU 37 3HB LEU 37 -4.807 5.998 -2.796 268 HG LEU 37 HG LEU 37 -3.138 3.577 -3.373 269 HD11 LEU 37 1HD1 LEU 37 -1.137 4.413 -2.282 270 HD12 LEU 37 2HD1 LEU 37 -1.829 6.036 -2.191 271 HD13 LEU 37 3HD1 LEU 37 -1.464 5.315 -3.762 272 HD21 LEU 37 3HD2 LEU 37 -2.987 3.472 -0.930 273 HD22 LEU 37 1HD2 LEU 37 -4.663 3.664 -1.439 274 HD23 LEU 37 2HD2 LEU 37 -3.773 5.047 -0.789 275 H GLN 38 H GLN 38 -7.509 4.906 -3.299 276 HA GLN 38 HA GLN 38 -7.547 2.440 -1.885 277 HB2 GLN 38 2HB GLN 38 -9.830 4.292 -2.695 278 HB3 GLN 38 3HB GLN 38 -9.990 2.967 -1.539 279 HG2 GLN 38 2HG GLN 38 -8.547 4.041 0.041 280 HG3 GLN 38 3HG GLN 38 -8.010 5.226 -1.151 281 HE21 GLN 38 1HE2 GLN 38 -8.593 6.975 0.161 282 HE22 GLN 38 2HE2 GLN 38 -10.240 7.413 0.445 283 H LYS 39 H LYS 39 -8.542 3.344 -5.125 284 HA LYS 39 HA LYS 39 -9.844 0.854 -5.804 285 HB2 LYS 39 2HB LYS 39 -8.865 3.160 -7.548 286 HB3 LYS 39 3HB LYS 39 -9.588 1.705 -8.219 287 HG2 LYS 39 2HG LYS 39 -11.286 3.383 -8.149 288 HG3 LYS 39 3HG LYS 39 -11.668 2.178 -6.918 289 HD2 LYS 39 2HD LYS 39 -10.729 3.696 -5.175 290 HD3 LYS 39 3HD LYS 39 -10.392 4.896 -6.424 291 HE2 LYS 39 2HE LYS 39 -13.144 3.888 -5.618 292 HE3 LYS 39 3HE LYS 39 -12.444 5.455 -5.206 293 HZ1 LYS 39 3HZ LYS 39 -13.169 4.478 -7.912 294 HZ2 LYS 39 1HZ LYS 39 -12.318 5.912 -7.620 295 HZ3 LYS 39 2HZ LYS 39 -13.898 5.737 -7.046 296 H VAL 40 H VAL 40 -6.607 2.243 -6.158 297 HA VAL 40 HA VAL 40 -5.354 0.293 -7.734 298 HB VAL 40 HB VAL 40 -4.191 2.077 -5.536 299 HG11 VAL 40 1HG1 VAL 40 -2.664 0.178 -5.792 300 HG12 VAL 40 2HG1 VAL 40 -1.935 1.623 -6.492 301 HG13 VAL 40 3HG1 VAL 40 -2.642 0.394 -7.544 302 HG21 VAL 40 3HG2 VAL 40 -5.118 3.306 -7.450 303 HG22 VAL 40 1HG2 VAL 40 -4.140 2.348 -8.566 304 HG23 VAL 40 2HG2 VAL 40 -3.360 3.452 -7.428 305 H LEU 41 H LEU 41 -5.691 0.480 -4.173 306 HA LEU 41 HA LEU 41 -4.363 -2.013 -3.670 307 HB2 LEU 41 2HB LEU 41 -5.802 0.009 -1.969 308 HB3 LEU 41 3HB LEU 41 -5.600 -1.599 -1.306 309 HG LEU 41 HG LEU 41 -3.799 -0.206 -0.493 310 HD11 LEU 41 1HD1 LEU 41 -1.841 -1.484 -1.221 311 HD12 LEU 41 2HD1 LEU 41 -2.760 -2.148 -2.572 312 HD13 LEU 41 3HD1 LEU 41 -3.230 -2.521 -0.909 313 HD21 LEU 41 3HD2 LEU 41 -3.766 1.523 -2.218 314 HD22 LEU 41 1HD2 LEU 41 -3.067 0.392 -3.381 315 HD23 LEU 41 2HD2 LEU 41 -2.147 0.882 -1.952 316 H ASN 42 H ASN 42 -7.644 -1.111 -4.327 317 HA ASN 42 HA ASN 42 -8.985 -3.407 -3.317 318 HB2 ASN 42 2HB ASN 42 -10.139 -1.268 -3.885 319 HB3 ASN 42 3HB ASN 42 -9.792 -1.533 -5.590 320 HD21 ASN 42 1HD2 ASN 42 -12.013 -1.425 -6.060 321 HD22 ASN 42 2HD2 ASN 42 -13.095 -2.718 -5.683 322 H GLU 43 H GLU 43 -7.764 -2.572 -6.584 323 HA GLU 43 HA GLU 43 -8.412 -5.129 -7.751 324 HB2 GLU 43 2HB GLU 43 -7.224 -4.276 -9.754 325 HB3 GLU 43 3HB GLU 43 -8.387 -3.103 -9.140 326 HG2 GLU 43 2HG GLU 43 -6.542 -1.861 -8.060 327 HG3 GLU 43 3HG GLU 43 -5.387 -3.022 -8.707 328 H LEU 44 H LEU 44 -5.574 -3.675 -6.248 329 HA LEU 44 HA LEU 44 -3.554 -5.457 -7.133 330 HB2 LEU 44 2HB LEU 44 -3.146 -3.216 -6.102 331 HB3 LEU 44 3HB LEU 44 -3.677 -3.845 -4.553 332 HG LEU 44 HG LEU 44 -1.733 -5.387 -4.498 333 HD11 LEU 44 1HD1 LEU 44 -0.912 -4.099 -7.113 334 HD12 LEU 44 2HD1 LEU 44 -1.440 -5.769 -6.881 335 HD13 LEU 44 3HD1 LEU 44 0.064 -5.217 -6.153 336 HD21 LEU 44 3HD2 LEU 44 -0.942 -2.498 -4.995 337 HD22 LEU 44 1HD2 LEU 44 0.022 -3.710 -4.141 338 HD23 LEU 44 2HD2 LEU 44 -1.514 -3.175 -3.469 339 H LYS 45 H LYS 45 -5.770 -5.508 -4.410 340 HA LYS 45 HA LYS 45 -4.857 -7.575 -2.823 341 HB2 LYS 45 2HB LYS 45 -6.731 -6.070 -2.284 342 HB3 LYS 45 3HB LYS 45 -7.719 -6.809 -3.539 343 HG2 LYS 45 2HG LYS 45 -7.711 -8.937 -2.266 344 HG3 LYS 45 3HG LYS 45 -6.717 -8.176 -1.020 345 HD2 LYS 45 2HD LYS 45 -9.092 -8.247 -0.349 346 HD3 LYS 45 3HD LYS 45 -8.520 -6.586 -0.503 347 HE2 LYS 45 2HE LYS 45 -9.615 -6.434 -2.730 348 HE3 LYS 45 3HE LYS 45 -10.187 -8.095 -2.555 349 HZ1 LYS 45 3HZ LYS 45 -10.901 -5.861 -0.721 350 HZ2 LYS 45 1HZ LYS 45 -11.519 -7.433 -0.677 351 HZ3 LYS 45 2HZ LYS 45 -11.880 -6.424 -1.983 352 H ASP 46 H ASP 46 -6.790 -7.751 -5.781 353 HA ASP 46 HA ASP 46 -7.149 -10.588 -5.871 354 HB2 ASP 46 2HB ASP 46 -8.681 -9.098 -7.075 355 HB3 ASP 46 3HB ASP 46 -7.358 -8.445 -8.031 356 H TYR 47 H TYR 47 -4.883 -8.313 -7.427 357 HA TYR 47 HA TYR 47 -3.626 -10.094 -9.200 358 HB2 TYR 47 2HB TYR 47 -2.459 -7.584 -7.930 359 HB3 TYR 47 3HB TYR 47 -1.844 -8.381 -9.375 360 HD1 TYR 47 HD2 TYR 47 -4.953 -8.817 -10.365 361 HD2 TYR 47 HD1 TYR 47 -2.523 -5.479 -9.226 362 HE1 TYR 47 HE2 TYR 47 -6.317 -7.333 -11.774 363 HE2 TYR 47 HE1 TYR 47 -3.891 -4.009 -10.630 364 HH TYR 47 HH TYR 47 -5.406 -4.036 -12.413 365 H ILE 48 H ILE 48 -2.976 -9.420 -5.821 366 HA ILE 48 HA ILE 48 -0.431 -10.810 -5.726 367 HB ILE 48 HB ILE 48 -2.226 -9.721 -3.528 368 HG12 ILE 48 2HG1 ILE 48 0.342 -8.552 -4.691 369 HG13 ILE 48 3HG1 ILE 48 -1.286 -7.963 -5.010 370 HG21 ILE 48 1HG2 ILE 48 0.612 -10.763 -3.277 371 HG22 ILE 48 2HG2 ILE 48 -0.841 -11.544 -2.649 372 HG23 ILE 48 3HG2 ILE 48 -0.323 -9.995 -1.989 373 HD11 ILE 48 3HD1 ILE 48 -0.148 -6.550 -3.419 374 HD12 ILE 48 1HD1 ILE 48 0.122 -7.916 -2.337 375 HD13 ILE 48 2HD1 ILE 48 -1.521 -7.344 -2.650 376 H LYS 49 H LYS 49 -3.772 -11.393 -4.541 377 HA LYS 49 HA LYS 49 -3.204 -13.794 -3.129 378 HB2 LYS 49 2HB LYS 49 -5.176 -12.330 -2.681 379 HB3 LYS 49 3HB LYS 49 -5.867 -12.811 -4.227 380 HG2 LYS 49 2HG LYS 49 -5.897 -15.186 -3.422 381 HG3 LYS 49 3HG LYS 49 -5.341 -14.618 -1.844 382 HD2 LYS 49 2HD LYS 49 -7.405 -13.301 -1.574 383 HD3 LYS 49 3HD LYS 49 -7.948 -13.786 -3.186 384 HE2 LYS 49 2HE LYS 49 -8.046 -16.127 -2.464 385 HE3 LYS 49 3HE LYS 49 -7.429 -15.679 -0.873 386 HZ1 LYS 49 3HZ LYS 49 -9.998 -14.751 -2.030 387 HZ2 LYS 49 1HZ LYS 49 -9.411 -14.390 -0.486 388 HZ3 LYS 49 2HZ LYS 49 -9.829 -15.977 -0.883 389 H LYS 50 H LYS 50 -4.609 -13.206 -6.317 390 HA LYS 50 HA LYS 50 -5.432 -15.795 -6.988 391 HB2 LYS 50 2HB LYS 50 -6.210 -13.719 -8.074 392 HB3 LYS 50 3HB LYS 50 -4.616 -13.469 -8.771 393 HG2 LYS 50 2HG LYS 50 -4.889 -15.436 -10.196 394 HG3 LYS 50 3HG LYS 50 -6.435 -15.809 -9.428 395 HD2 LYS 50 2HD LYS 50 -6.738 -14.691 -11.628 396 HD3 LYS 50 3HD LYS 50 -7.421 -13.743 -10.305 397 HE2 LYS 50 2HE LYS 50 -5.313 -12.355 -10.309 398 HE3 LYS 50 3HE LYS 50 -4.788 -13.246 -11.740 399 HZ1 LYS 50 3HZ LYS 50 -7.202 -11.529 -11.510 400 HZ2 LYS 50 1HZ LYS 50 -6.801 -12.444 -12.877 401 HZ3 LYS 50 2HZ LYS 50 -5.795 -11.180 -12.378 402 H GLN 51 H GLN 51 -2.369 -14.108 -7.552 403 HA GLN 51 HA GLN 51 -1.135 -16.298 -8.983 404 HB2 GLN 51 2HB GLN 51 -0.229 -13.570 -8.053 405 HB3 GLN 51 3HB GLN 51 0.983 -14.757 -8.517 406 HG2 GLN 51 2HG GLN 51 0.544 -13.360 -10.416 407 HG3 GLN 51 3HG GLN 51 -0.075 -14.967 -10.750 408 HE21 GLN 51 1HE2 GLN 51 -0.893 -11.635 -10.242 409 HE22 GLN 51 2HE2 GLN 51 -2.552 -11.756 -10.698 410 H GLY 52 H GLY 52 -1.643 -15.574 -5.678 411 HA2 GLY 52 2HA GLY 52 -1.366 -16.942 -3.865 412 HA3 GLY 52 3HA GLY 52 -0.584 -18.122 -4.903 413 H CYS 53 H CYS 53 -0.029 -15.005 -3.274 414 HA CYS 53 HA CYS 53 2.869 -15.577 -3.121 415 HB2 CYS 53 2HB CYS 53 2.018 -13.405 -4.185 416 HB3 CYS 53 3HB CYS 53 1.533 -12.906 -2.566 417 H LYS 54 H LYS 54 3.975 -14.878 -1.124 418 HA LYS 54 HA LYS 54 2.469 -15.614 1.299 419 HB2 LYS 54 2HB LYS 54 5.461 -15.446 0.743 420 HB3 LYS 54 3HB LYS 54 4.774 -15.852 2.314 421 HG2 LYS 54 2HG LYS 54 3.757 -17.879 1.365 422 HG3 LYS 54 3HG LYS 54 4.386 -17.465 -0.233 423 HD2 LYS 54 2HD LYS 54 6.692 -17.712 0.581 424 HD3 LYS 54 3HD LYS 54 6.110 -18.026 2.220 425 HE2 LYS 54 2HE LYS 54 6.769 -20.109 1.046 426 HE3 LYS 54 3HE LYS 54 5.059 -20.111 1.473 427 HZ1 LYS 54 3HZ LYS 54 5.501 -20.933 -0.781 428 HZ2 LYS 54 1HZ LYS 54 6.123 -19.423 -1.213 429 HZ3 LYS 54 2HZ LYS 54 4.493 -19.574 -0.784 430 H ARG 55 H ARG 55 5.264 -13.406 0.784 431 HA ARG 55 HA ARG 55 4.015 -11.427 2.584 432 HB2 ARG 55 2HB ARG 55 6.237 -12.109 3.272 433 HB3 ARG 55 3HB ARG 55 6.896 -11.777 1.682 434 HG2 ARG 55 2HG ARG 55 6.599 -9.379 2.001 435 HG3 ARG 55 3HG ARG 55 5.764 -9.649 3.532 436 HD2 ARG 55 2HD ARG 55 8.123 -8.926 3.829 437 HD3 ARG 55 3HD ARG 55 7.800 -10.507 4.546 438 HE ARG 55 HE ARG 55 8.737 -11.118 2.065 439 HH11 ARG 55 1HH1 ARG 55 10.050 -9.106 4.648 440 HH12 ARG 55 2HH1 ARG 55 11.698 -9.429 4.213 441 HH21 ARG 55 1HH2 ARG 55 10.901 -11.583 1.560 442 HH22 ARG 55 2HH2 ARG 55 12.181 -10.839 2.458 443 H SER 56 H SER 56 3.254 -9.608 1.827 444 HA SER 56 HA SER 56 3.808 -8.744 -0.949 445 HB2 SER 56 2HB SER 56 1.389 -8.119 0.801 446 HB3 SER 56 3HB SER 56 1.583 -7.755 -0.919 447 HG SER 56 HG SER 56 1.694 -10.003 -1.290 448 H ARG 57 H ARG 57 5.234 -7.110 -0.956 449 HA ARG 57 HA ARG 57 5.218 -5.091 1.210 450 HB2 ARG 57 2HB ARG 57 7.413 -6.121 0.862 451 HB3 ARG 57 3HB ARG 57 7.337 -5.801 -0.869 452 HG2 ARG 57 2HG ARG 57 7.433 -3.373 -0.437 453 HG3 ARG 57 3HG ARG 57 7.483 -3.679 1.299 454 HD2 ARG 57 2HD ARG 57 9.646 -4.866 1.001 455 HD3 ARG 57 3HD ARG 57 9.590 -4.503 -0.727 456 HE ARG 57 HE ARG 57 9.435 -2.057 0.165 457 HH11 ARG 57 1HH1 ARG 57 11.457 -4.592 1.551 458 HH12 ARG 57 2HH1 ARG 57 12.640 -3.471 2.147 459 HH21 ARG 57 1HH2 ARG 57 10.970 -0.620 0.985 460 HH22 ARG 57 2HH2 ARG 57 12.362 -1.221 1.824 461 H THR 58 H THR 58 3.872 -3.446 0.690 462 HA THR 58 HA THR 58 4.082 -2.245 -2.020 463 HB THR 58 HB THR 58 1.838 -1.741 -0.018 464 HG1 THR 58 HG1 THR 58 1.275 -3.713 -0.544 465 HG21 THR 58 3HG2 THR 58 2.015 -1.229 -3.017 466 HG22 THR 58 1HG2 THR 58 2.132 0.009 -1.761 467 HG23 THR 58 2HG2 THR 58 0.624 -0.878 -1.989 468 H SER 59 H SER 59 5.332 -0.528 -2.047 469 HA SER 59 HA SER 59 5.749 1.164 0.336 470 HB2 SER 59 2HB SER 59 7.725 0.066 -0.821 471 HB3 SER 59 3HB SER 59 7.353 1.000 -2.266 472 HG SER 59 HG SER 59 8.190 1.935 0.273 473 H ILE 60 H ILE 60 4.657 3.058 0.348 474 HA ILE 60 HA ILE 60 3.412 4.113 -2.145 475 HB ILE 60 HB ILE 60 2.238 3.888 0.669 476 HG12 ILE 60 2HG1 ILE 60 1.304 2.720 -1.995 477 HG13 ILE 60 3HG1 ILE 60 1.996 1.825 -0.646 478 HG21 ILE 60 1HG2 ILE 60 0.239 5.072 -0.145 479 HG22 ILE 60 2HG2 ILE 60 1.031 5.364 -1.692 480 HG23 ILE 60 3HG2 ILE 60 1.668 6.099 -0.220 481 HD11 ILE 60 3HD1 ILE 60 -0.383 1.498 -0.714 482 HD12 ILE 60 1HD1 ILE 60 -0.678 3.237 -0.682 483 HD13 ILE 60 2HD1 ILE 60 0.026 2.429 0.725 484 H THR 61 H THR 61 3.933 6.234 -2.568 485 HA THR 61 HA THR 61 5.742 7.727 -1.018 486 HB THR 61 HB THR 61 3.846 8.689 -3.200 487 HG1 THR 61 HG1 THR 61 5.523 6.998 -3.644 488 HG21 THR 61 3HG2 THR 61 4.674 10.637 -1.920 489 HG22 THR 61 1HG2 THR 61 5.436 10.582 -3.512 490 HG23 THR 61 2HG2 THR 61 6.335 10.063 -2.085 491 H ALA 62 H ALA 62 5.409 8.646 0.850 492 HA ALA 62 HA ALA 62 2.777 9.724 1.683 493 HB1 ALA 62 3HB ALA 62 3.485 7.762 2.998 494 HB2 ALA 62 1HB ALA 62 3.512 9.216 4.000 495 HB3 ALA 62 2HB ALA 62 5.021 8.544 3.373 496 H ARG 63 H ARG 63 2.857 11.880 1.457 497 HA ARG 63 HA ARG 63 5.180 13.441 1.124 498 HB2 ARG 63 2HB ARG 63 2.312 14.279 1.752 499 HB3 ARG 63 3HB ARG 63 3.591 15.444 1.447 500 HG2 ARG 63 2HG ARG 63 2.417 15.249 -0.597 501 HG3 ARG 63 3HG ARG 63 3.907 14.339 -0.831 502 HD2 ARG 63 2HD ARG 63 2.179 13.030 -1.803 503 HD3 ARG 63 3HD ARG 63 2.574 12.245 -0.278 504 HE ARG 63 HE ARG 63 0.538 13.265 0.663 505 HH11 ARG 63 1HH1 ARG 63 0.700 13.033 -2.868 506 HH12 ARG 63 2HH1 ARG 63 -1.022 13.059 -3.056 507 HH21 ARG 63 1HH2 ARG 63 -1.709 13.304 0.349 508 HH22 ARG 63 2HH2 ARG 63 -2.372 13.208 -1.254 509 H THR 64 H THR 64 3.292 12.648 3.930 510 HA THR 64 HA THR 64 5.320 13.721 5.765 511 HB THR 64 HB THR 64 3.596 14.590 7.305 512 HG1 THR 64 HG1 THR 64 1.372 14.712 6.440 513 HG21 THR 64 3HG2 THR 64 4.408 16.230 5.640 514 HG22 THR 64 1HG2 THR 64 2.715 16.527 6.057 515 HG23 THR 64 2HG2 THR 64 3.124 15.740 4.529 516 H LYS 65 H LYS 65 4.805 12.724 8.069 517 HA LYS 65 HA LYS 65 4.335 9.883 7.843 518 HB2 LYS 65 2HB LYS 65 4.765 9.758 10.237 519 HB3 LYS 65 3HB LYS 65 5.957 10.815 9.490 520 HG2 LYS 65 2HG LYS 65 4.679 12.790 10.288 521 HG3 LYS 65 3HG LYS 65 3.524 11.713 11.072 522 HD2 LYS 65 2HD LYS 65 5.108 12.563 12.719 523 HD3 LYS 65 3HD LYS 65 5.350 10.827 12.512 524 HE2 LYS 65 2HE LYS 65 7.304 11.276 11.062 525 HE3 LYS 65 3HE LYS 65 7.044 13.015 11.247 526 HZ1 LYS 65 3HZ LYS 65 7.416 12.751 13.638 527 HZ2 LYS 65 1HZ LYS 65 8.758 12.242 12.742 528 HZ3 LYS 65 2HZ LYS 65 7.712 11.105 13.423 529 H LYS 66 H LYS 66 2.348 12.651 8.364 530 HA LYS 66 HA LYS 66 0.085 11.390 9.583 531 HB2 LYS 66 2HB LYS 66 0.582 13.920 9.465 532 HB3 LYS 66 3HB LYS 66 0.029 13.863 7.799 533 HG2 LYS 66 2HG LYS 66 -1.785 14.653 9.178 534 HG3 LYS 66 3HG LYS 66 -2.194 13.032 8.602 535 HD2 LYS 66 2HD LYS 66 -1.517 12.078 10.781 536 HD3 LYS 66 3HD LYS 66 -1.071 13.686 11.361 537 HE2 LYS 66 2HE LYS 66 -3.259 13.049 12.246 538 HE3 LYS 66 3HE LYS 66 -3.446 14.400 11.127 539 HZ1 LYS 66 3HZ LYS 66 -4.159 12.844 9.423 540 HZ2 LYS 66 1HZ LYS 66 -5.139 12.707 10.792 541 HZ3 LYS 66 2HZ LYS 66 -3.958 11.544 10.479 542 H GLU 67 H GLU 67 1.193 11.917 6.255 543 HA GLU 67 HA GLU 67 -1.032 10.716 4.939 544 HB2 GLU 67 2HB GLU 67 1.861 10.776 3.961 545 HB3 GLU 67 3HB GLU 67 0.421 10.512 2.979 546 HG2 GLU 67 2HG GLU 67 1.175 13.082 4.402 547 HG3 GLU 67 3HG GLU 67 1.323 12.764 2.674 548 H ALA 68 H ALA 68 2.162 9.492 5.952 549 HA ALA 68 HA ALA 68 2.026 6.837 5.191 550 HB1 ALA 68 3HB ALA 68 4.059 7.933 6.035 551 HB2 ALA 68 1HB ALA 68 3.748 6.423 6.895 552 HB3 ALA 68 2HB ALA 68 3.376 7.971 7.661 553 H GLU 69 H GLU 69 0.624 8.360 8.050 554 HA GLU 69 HA GLU 69 -0.191 6.164 9.538 555 HB2 GLU 69 2HB GLU 69 -0.080 8.723 10.035 556 HB3 GLU 69 3HB GLU 69 -1.677 8.810 9.309 557 HG2 GLU 69 2HG GLU 69 -0.982 7.086 11.685 558 HG3 GLU 69 3HG GLU 69 -1.579 8.730 11.808 559 H LYS 70 H LYS 70 -2.021 8.046 7.048 560 HA LYS 70 HA LYS 70 -4.386 6.446 7.394 561 HB2 LYS 70 2HB LYS 70 -5.392 7.774 5.588 562 HB3 LYS 70 3HB LYS 70 -4.627 8.801 6.793 563 HG2 LYS 70 2HG LYS 70 -2.660 9.030 5.259 564 HG3 LYS 70 3HG LYS 70 -3.557 8.125 4.036 565 HD2 LYS 70 2HD LYS 70 -5.288 9.897 3.987 566 HD3 LYS 70 3HD LYS 70 -4.437 10.783 5.260 567 HE2 LYS 70 2HE LYS 70 -2.470 10.984 3.737 568 HE3 LYS 70 3HE LYS 70 -3.402 10.192 2.470 569 HZ1 LYS 70 3HZ LYS 70 -4.052 12.785 3.756 570 HZ2 LYS 70 1HZ LYS 70 -4.987 12.025 2.570 571 HZ3 LYS 70 2HZ LYS 70 -3.429 12.570 2.203 572 H PHE 71 H PHE 71 -1.739 6.475 4.972 573 HA PHE 71 HA PHE 71 -2.916 4.479 3.296 574 HB2 PHE 71 2HB PHE 71 -0.005 5.295 3.497 575 HB3 PHE 71 3HB PHE 71 -0.651 4.190 2.284 576 HD1 PHE 71 HD1 PHE 71 -2.253 5.079 0.526 577 HD2 PHE 71 HD2 PHE 71 -0.317 7.579 3.254 578 HE1 PHE 71 HE1 PHE 71 -2.711 7.025 -0.914 579 HE2 PHE 71 HE2 PHE 71 -0.717 9.534 1.840 580 HZ PHE 71 HZ PHE 71 -1.933 9.250 -0.257 581 H ALA 72 H ALA 72 -1.116 4.331 6.268 582 HA ALA 72 HA ALA 72 -0.459 1.579 6.223 583 HB1 ALA 72 3HB ALA 72 -0.322 1.740 8.679 584 HB2 ALA 72 1HB ALA 72 -1.130 3.309 8.636 585 HB3 ALA 72 2HB ALA 72 0.469 3.121 7.916 586 H ALA 73 H ALA 73 -3.409 3.317 7.413 587 HA ALA 73 HA ALA 73 -4.892 1.014 8.151 588 HB1 ALA 73 3HB ALA 73 -5.511 3.286 8.872 589 HB2 ALA 73 1HB ALA 73 -6.870 2.465 8.099 590 HB3 ALA 73 2HB ALA 73 -5.961 3.696 7.216 591 H ILE 74 H ILE 74 -4.383 2.565 5.059 592 HA ILE 74 HA ILE 74 -6.351 1.212 3.486 593 HB ILE 74 HB ILE 74 -3.758 2.676 2.725 594 HG12 ILE 74 2HG1 ILE 74 -6.676 3.579 2.462 595 HG13 ILE 74 3HG1 ILE 74 -5.611 4.035 3.783 596 HG21 ILE 74 1HG2 ILE 74 -5.969 1.664 0.874 597 HG22 ILE 74 2HG2 ILE 74 -4.315 1.054 0.950 598 HG23 ILE 74 3HG2 ILE 74 -4.622 2.695 0.401 599 HD11 ILE 74 3HD1 ILE 74 -5.197 4.740 0.877 600 HD12 ILE 74 1HD1 ILE 74 -4.141 5.214 2.218 601 HD13 ILE 74 2HD1 ILE 74 -5.802 5.805 2.142 602 H LEU 75 H LEU 75 -2.954 0.569 4.270 603 HA LEU 75 HA LEU 75 -2.711 -1.656 2.450 604 HB2 LEU 75 2HB LEU 75 -0.855 -0.258 4.374 605 HB3 LEU 75 3HB LEU 75 -0.399 -1.840 3.764 606 HG LEU 75 HG LEU 75 -0.994 0.592 2.031 607 HD11 LEU 75 1HD1 LEU 75 1.393 0.614 1.495 608 HD12 LEU 75 2HD1 LEU 75 1.674 -0.704 2.638 609 HD13 LEU 75 3HD1 LEU 75 1.121 0.868 3.219 610 HD21 LEU 75 3HD2 LEU 75 -0.049 -2.186 1.265 611 HD22 LEU 75 1HD2 LEU 75 -0.176 -0.798 0.175 612 HD23 LEU 75 2HD2 LEU 75 -1.625 -1.467 0.915 613 H ILE 76 H ILE 76 -2.760 -1.361 6.000 614 HA ILE 76 HA ILE 76 -2.689 -4.006 6.787 615 HB ILE 76 HB ILE 76 -3.891 -1.508 8.014 616 HG12 ILE 76 2HG1 ILE 76 -2.352 -2.107 9.933 617 HG13 ILE 76 3HG1 ILE 76 -1.825 -3.514 9.024 618 HG21 ILE 76 1HG2 ILE 76 -4.672 -2.681 10.049 619 HG22 ILE 76 2HG2 ILE 76 -4.391 -4.234 9.256 620 HG23 ILE 76 3HG2 ILE 76 -5.615 -3.131 8.626 621 HD11 ILE 76 3HD1 ILE 76 -0.199 -1.761 8.904 622 HD12 ILE 76 1HD1 ILE 76 -1.401 -0.631 8.285 623 HD13 ILE 76 2HD1 ILE 76 -0.902 -2.013 7.306 624 H LYS 77 H LYS 77 -5.376 -2.150 5.447 625 HA LYS 77 HA LYS 77 -7.540 -3.864 5.993 626 HB2 LYS 77 2HB LYS 77 -7.462 -1.409 5.017 627 HB3 LYS 77 3HB LYS 77 -7.401 -2.195 3.455 628 HG2 LYS 77 2HG LYS 77 -9.665 -2.175 3.486 629 HG3 LYS 77 3HG LYS 77 -9.581 -3.450 4.701 630 HD2 LYS 77 2HD LYS 77 -9.711 -0.459 5.268 631 HD3 LYS 77 3HD LYS 77 -11.062 -1.584 5.381 632 HE2 LYS 77 2HE LYS 77 -8.551 -1.741 7.096 633 HE3 LYS 77 3HE LYS 77 -10.066 -0.986 7.587 634 HZ1 LYS 77 3HZ LYS 77 -11.182 -3.079 7.419 635 HZ2 LYS 77 1HZ LYS 77 -9.826 -3.261 8.410 636 HZ3 LYS 77 2HZ LYS 77 -9.792 -3.840 6.826 637 H VAL 78 H VAL 78 -5.144 -3.893 3.421 638 HA VAL 78 HA VAL 78 -6.407 -6.004 1.862 639 HB VAL 78 HB VAL 78 -3.684 -4.649 1.537 640 HG11 VAL 78 1HG1 VAL 78 -5.181 -6.426 -0.428 641 HG12 VAL 78 2HG1 VAL 78 -3.678 -6.823 0.406 642 HG13 VAL 78 3HG1 VAL 78 -3.704 -5.526 -0.789 643 HG21 VAL 78 3HG2 VAL 78 -4.779 -3.323 -0.262 644 HG22 VAL 78 1HG2 VAL 78 -5.514 -3.032 1.317 645 HG23 VAL 78 2HG2 VAL 78 -6.328 -4.068 0.141 646 H TYR 79 H TYR 79 -3.579 -5.638 4.025 647 HA TYR 79 HA TYR 79 -2.550 -8.290 3.612 648 HB2 TYR 79 2HB TYR 79 -1.908 -6.342 5.864 649 HB3 TYR 79 3HB TYR 79 -0.982 -7.778 5.448 650 HD1 TYR 79 HD2 TYR 79 -0.791 -7.539 2.514 651 HD2 TYR 79 HD1 TYR 79 -0.415 -4.536 5.472 652 HE1 TYR 79 HE2 TYR 79 0.591 -6.230 0.983 653 HE2 TYR 79 HE1 TYR 79 0.973 -3.219 3.937 654 HH TYR 79 HH TYR 79 2.327 -3.458 2.002 655 H ALA 80 H ALA 80 -4.934 -6.956 5.757 656 HA ALA 80 HA ALA 80 -4.974 -9.085 7.685 657 HB1 ALA 80 3HB ALA 80 -5.824 -6.837 8.221 658 HB2 ALA 80 1HB ALA 80 -7.080 -8.055 8.451 659 HB3 ALA 80 2HB ALA 80 -7.102 -7.019 7.018 660 H GLU 81 H GLU 81 -6.419 -8.531 4.552 661 HA GLU 81 HA GLU 81 -8.360 -10.670 4.740 662 HB2 GLU 81 2HB GLU 81 -7.409 -9.043 2.339 663 HB3 GLU 81 3HB GLU 81 -8.775 -10.157 2.328 664 HG2 GLU 81 2HG GLU 81 -8.550 -7.577 3.906 665 HG3 GLU 81 3HG GLU 81 -9.548 -7.853 2.481 666 H LEU 82 H LEU 82 -5.274 -10.119 3.007 667 HA LEU 82 HA LEU 82 -5.324 -12.763 1.778 668 HB2 LEU 82 2HB LEU 82 -3.105 -10.679 1.626 669 HB3 LEU 82 3HB LEU 82 -3.360 -12.046 0.546 670 HG LEU 82 HG LEU 82 -5.037 -9.519 0.743 671 HD11 LEU 82 1HD1 LEU 82 -4.370 -9.161 -1.574 672 HD12 LEU 82 2HD1 LEU 82 -3.397 -10.635 -1.544 673 HD13 LEU 82 3HD1 LEU 82 -2.966 -9.264 -0.512 674 HD21 LEU 82 3HD2 LEU 82 -6.594 -11.340 0.428 675 HD22 LEU 82 1HD2 LEU 82 -5.624 -12.008 -0.887 676 HD23 LEU 82 2HD2 LEU 82 -6.433 -10.452 -1.082 677 H GLY 83 H GLY 83 -3.771 -11.201 4.465 678 HA2 GLY 83 2HA GLY 83 -1.812 -13.390 4.832 679 HA3 GLY 83 3HA GLY 83 -1.760 -11.797 5.577 680 H TYR 84 H TYR 84 -3.705 -11.295 7.016 681 HA TYR 84 HA TYR 84 -4.431 -11.563 9.149 682 HB2 TYR 84 2HB TYR 84 -6.226 -12.784 7.764 683 HB3 TYR 84 3HB TYR 84 -5.473 -14.290 8.264 684 HD1 TYR 84 HD2 TYR 84 -5.314 -14.743 10.845 685 HD2 TYR 84 HD1 TYR 84 -7.863 -11.744 9.178 686 HE1 TYR 84 HE2 TYR 84 -6.595 -14.679 12.920 687 HE2 TYR 84 HE1 TYR 84 -9.155 -11.694 11.274 688 HH TYR 84 HH TYR 84 -9.611 -13.248 13.208 689 H ASN 85 H ASN 85 -2.223 -11.636 9.863 690 HA ASN 85 HA ASN 85 -1.527 -13.986 11.425 691 HB2 ASN 85 2HB ASN 85 -0.489 -14.607 9.287 692 HB3 ASN 85 3HB ASN 85 0.249 -13.018 9.124 693 HD21 ASN 85 1HD2 ASN 85 2.285 -13.994 8.890 694 HD22 ASN 85 2HD2 ASN 85 3.152 -14.642 10.237 695 H ASP 86 H ASP 86 0.183 -11.172 10.090 696 HA ASP 86 HA ASP 86 -0.015 -9.482 12.336 697 HB2 ASP 86 2HB ASP 86 1.563 -11.106 13.378 698 HB3 ASP 86 3HB ASP 86 2.675 -10.915 12.027 699 H ILE 87 H ILE 87 1.251 -7.468 11.960 700 HA ILE 87 HA ILE 87 1.833 -7.049 9.076 701 HB ILE 87 HB ILE 87 0.875 -5.024 11.155 702 HG12 ILE 87 2HG1 ILE 87 -0.930 -6.599 10.524 703 HG13 ILE 87 3HG1 ILE 87 -1.267 -4.988 9.906 704 HG21 ILE 87 1HG2 ILE 87 2.317 -3.974 9.462 705 HG22 ILE 87 2HG2 ILE 87 0.646 -3.445 9.275 706 HG23 ILE 87 3HG2 ILE 87 1.317 -4.648 8.171 707 HD11 ILE 87 3HD1 ILE 87 -1.855 -6.681 8.304 708 HD12 ILE 87 1HD1 ILE 87 -0.217 -7.327 8.325 709 HD13 ILE 87 2HD1 ILE 87 -0.522 -5.709 7.680 710 H ASN 88 H ASN 88 3.763 -6.155 8.515 711 HA ASN 88 HA ASN 88 5.654 -5.245 10.612 712 HB2 ASN 88 2HB ASN 88 6.387 -7.324 9.421 713 HB3 ASN 88 3HB ASN 88 6.256 -6.490 7.875 714 HD21 ASN 88 1HD2 ASN 88 7.864 -4.965 7.302 715 HD22 ASN 88 2HD2 ASN 88 9.343 -4.822 8.182 716 H VAL 89 H VAL 89 5.555 -3.038 10.592 717 HA VAL 89 HA VAL 89 5.286 -1.591 8.011 718 HB VAL 89 HB VAL 89 3.389 -1.173 9.519 719 HG11 VAL 89 1HG1 VAL 89 4.424 -1.606 11.697 720 HG12 VAL 89 2HG1 VAL 89 3.621 -0.035 11.691 721 HG13 VAL 89 3HG1 VAL 89 5.381 -0.125 11.560 722 HG21 VAL 89 3HG2 VAL 89 3.425 1.296 9.549 723 HG22 VAL 89 1HG2 VAL 89 4.107 0.664 8.049 724 HG23 VAL 89 2HG2 VAL 89 5.175 1.282 9.310 725 H THR 90 H THR 90 6.808 -0.162 7.425 726 HA THR 90 HA THR 90 8.871 0.851 9.237 727 HB THR 90 HB THR 90 9.512 -0.698 6.675 728 HG1 THR 90 HG1 THR 90 9.596 -1.334 9.389 729 HG21 THR 90 3HG2 THR 90 11.419 0.712 8.587 730 HG22 THR 90 1HG2 THR 90 11.057 1.209 6.919 731 HG23 THR 90 2HG2 THR 90 11.891 -0.308 7.229 732 H TRP 91 H TRP 91 9.517 2.893 8.642 733 HA TRP 91 HA TRP 91 8.133 4.158 6.356 734 HB2 TRP 91 2HB TRP 91 9.393 5.370 8.862 735 HB3 TRP 91 3HB TRP 91 8.621 6.299 7.578 736 HD1 TRP 91 HD1 TRP 91 5.997 6.538 7.674 737 HE1 TRP 91 HE1 TRP 91 4.187 5.750 9.319 738 HE3 TRP 91 HE3 TRP 91 8.783 3.274 10.495 739 HZ2 TRP 91 HZ2 TRP 91 3.949 3.993 11.508 740 HZ3 TRP 91 HZ3 TRP 91 7.677 2.076 12.343 741 HH2 TRP 91 HH2 TRP 91 5.306 2.430 12.839 742 H ASP 92 H ASP 92 9.349 4.479 4.597 743 HA ASP 92 HA ASP 92 12.218 4.288 4.536 744 HB2 ASP 92 2HB ASP 92 10.414 5.375 2.330 745 HB3 ASP 92 3HB ASP 92 12.019 4.672 2.147 746 H GLY 93 H GLY 93 9.871 6.869 4.707 747 HA2 GLY 93 2HA GLY 93 10.940 8.873 5.938 748 HA3 GLY 93 3HA GLY 93 11.900 9.013 4.467 749 H ASP 94 H ASP 94 10.918 9.630 2.548 750 HA ASP 94 HA ASP 94 8.336 10.981 2.673 751 HB2 ASP 94 2HB ASP 94 10.454 10.706 0.503 752 HB3 ASP 94 3HB ASP 94 8.900 11.477 0.194 753 H THR 95 H THR 95 8.945 7.900 2.601 754 HA THR 95 HA THR 95 6.561 7.176 1.082 755 HB THR 95 HB THR 95 9.223 5.695 0.727 756 HG1 THR 95 HG1 THR 95 8.006 7.750 -0.757 757 HG21 THR 95 3HG2 THR 95 8.094 4.471 -1.059 758 HG22 THR 95 1HG2 THR 95 6.604 5.372 -0.769 759 HG23 THR 95 2HG2 THR 95 7.216 4.258 0.454 760 H VAL 96 H VAL 96 5.562 5.234 1.972 761 HA VAL 96 HA VAL 96 6.763 4.153 4.456 762 HB VAL 96 HB VAL 96 4.817 5.515 5.043 763 HG11 VAL 96 1HG1 VAL 96 2.521 4.995 4.318 764 HG12 VAL 96 2HG1 VAL 96 3.141 3.757 3.221 765 HG13 VAL 96 3HG1 VAL 96 3.547 5.455 2.954 766 HG21 VAL 96 3HG2 VAL 96 4.212 2.549 5.370 767 HG22 VAL 96 1HG2 VAL 96 3.516 3.854 6.338 768 HG23 VAL 96 2HG2 VAL 96 5.248 3.525 6.413 769 H THR 97 H THR 97 7.463 2.160 4.085 770 HA THR 97 HA THR 97 6.103 0.268 2.315 771 HB THR 97 HB THR 97 8.645 0.128 3.988 772 HG1 THR 97 HG1 THR 97 9.263 1.002 2.157 773 HG21 THR 97 3HG2 THR 97 7.445 -2.136 2.353 774 HG22 THR 97 1HG2 THR 97 7.676 -2.119 4.103 775 HG23 THR 97 2HG2 THR 97 9.074 -2.121 3.027 776 H VAL 98 H VAL 98 4.300 -0.704 3.165 777 HA VAL 98 HA VAL 98 4.562 -1.913 5.879 778 HB VAL 98 HB VAL 98 1.944 -1.512 4.336 779 HG11 VAL 98 1HG1 VAL 98 1.874 -3.400 5.903 780 HG12 VAL 98 2HG1 VAL 98 0.852 -2.083 6.478 781 HG13 VAL 98 3HG1 VAL 98 2.433 -2.357 7.219 782 HG21 VAL 98 3HG2 VAL 98 3.025 0.146 6.660 783 HG22 VAL 98 1HG2 VAL 98 1.409 0.296 5.960 784 HG23 VAL 98 2HG2 VAL 98 2.831 0.696 4.995 785 H GLU 99 H GLU 99 4.132 -4.126 6.031 786 HA GLU 99 HA GLU 99 4.018 -5.731 3.556 787 HB2 GLU 99 2HB GLU 99 6.075 -6.097 5.799 788 HB3 GLU 99 3HB GLU 99 5.865 -7.182 4.422 789 HG2 GLU 99 2HG GLU 99 6.543 -5.399 2.888 790 HG3 GLU 99 3HG GLU 99 6.700 -4.275 4.237 791 H GLY 100 H GLY 100 3.018 -7.734 3.803 792 HA2 GLY 100 2HA GLY 100 1.730 -8.504 6.282 793 HA3 GLY 100 3HA GLY 100 1.864 -9.473 4.814 794 H GLN 101 H GLN 101 2.740 -9.592 7.948 795 HA GLN 101 HA GLN 101 5.595 -9.865 7.848 796 HB2 GLN 101 2HB GLN 101 4.544 -9.053 9.882 797 HB3 GLN 101 3HB GLN 101 3.558 -10.498 10.023 798 HG2 GLN 101 2HG GLN 101 5.358 -10.484 11.681 799 HG3 GLN 101 3HG GLN 101 5.537 -11.836 10.571 800 HE21 GLN 101 1HE2 GLN 101 7.349 -11.903 9.219 801 HE22 GLN 101 2HE2 GLN 101 8.681 -10.816 9.396 802 H LEU 102 H LEU 102 6.497 -11.496 6.837 803 HA LEU 102 HA LEU 102 5.472 -14.264 7.095 804 HB2 LEU 102 2HB LEU 102 5.606 -13.164 4.784 805 HB3 LEU 102 3HB LEU 102 7.345 -13.150 4.958 806 HG LEU 102 HG LEU 102 6.323 -14.991 3.493 807 HD11 LEU 102 1HD1 LEU 102 8.643 -15.151 4.214 808 HD12 LEU 102 2HD1 LEU 102 7.882 -16.737 4.135 809 HD13 LEU 102 3HD1 LEU 102 8.146 -15.965 5.702 810 HD21 LEU 102 3HD2 LEU 102 5.534 -16.225 6.148 811 HD22 LEU 102 1HD2 LEU 102 5.399 -16.976 4.555 812 HD23 LEU 102 2HD2 LEU 102 4.426 -15.561 4.944 813 H GLU 103 H GLU 103 6.785 -15.754 8.016 814 HA GLU 103 HA GLU 103 9.658 -15.253 8.394 815 HB2 GLU 103 2HB GLU 103 9.429 -16.205 10.774 816 HB3 GLU 103 3HB GLU 103 8.864 -14.555 10.531 817 HG2 GLU 103 2HG GLU 103 6.538 -15.328 10.470 818 HG3 GLU 103 3HG GLU 103 7.071 -17.000 10.646 819 H GLY 104 H GLY 104 10.251 -16.746 6.933 820 HA2 GLY 104 2HA GLY 104 9.004 -19.294 6.548 821 HA3 GLY 104 3HA GLY 104 10.505 -18.735 5.829 822 H VAL 105 H VAL 105 12.235 -19.942 6.373 823 HA VAL 105 HA VAL 105 12.146 -21.646 8.794 824 HB VAL 105 HB VAL 105 13.877 -21.919 6.283 825 HG11 VAL 105 1HG1 VAL 105 15.003 -22.880 8.250 826 HG12 VAL 105 2HG1 VAL 105 14.481 -24.157 7.150 827 HG13 VAL 105 3HG1 VAL 105 13.567 -23.836 8.625 828 HG21 VAL 105 3HG2 VAL 105 12.426 -23.858 5.722 829 HG22 VAL 105 1HG2 VAL 105 11.506 -22.351 5.778 830 HG23 VAL 105 2HG2 VAL 105 11.406 -23.497 7.117 831 H ASP 106 H ASP 106 13.457 -21.185 10.461 832 HA ASP 106 HA ASP 106 15.910 -19.574 10.032 833 HB2 ASP 106 2HB ASP 106 14.175 -18.083 10.950 834 HB3 ASP 106 3HB ASP 106 13.863 -19.207 12.270 Start of MODEL 4 1 H1 MET 1 1H MET 1 7.968 9.941 -20.120 2 H2 MET 1 2H MET 1 9.369 9.736 -21.031 3 H3 MET 1 3H MET 1 9.413 10.638 -19.607 4 HA MET 1 HA MET 1 8.911 8.728 -18.303 5 HB2 MET 1 2HB MET 1 9.062 7.189 -20.945 6 HB3 MET 1 3HB MET 1 8.843 6.473 -19.350 7 HG2 MET 1 2HG MET 1 6.672 7.582 -19.126 8 HG3 MET 1 3HG MET 1 6.892 8.362 -20.695 9 HE1 MET 1 3HE MET 1 4.075 5.854 -21.613 10 HE2 MET 1 1HE MET 1 4.669 7.505 -21.795 11 HE3 MET 1 2HE MET 1 4.234 6.892 -20.196 12 H HIS 2 H HIS 2 10.747 8.470 -17.199 13 HA HIS 2 HA HIS 2 12.905 8.325 -16.578 14 HB2 HIS 2 2HB HIS 2 13.117 6.678 -19.121 15 HB3 HIS 2 3HB HIS 2 14.386 6.755 -17.906 16 HD1 HIS 2 HD1 HIS 2 12.589 4.185 -18.806 17 HD2 HIS 2 HD2 HIS 2 12.326 6.353 -15.270 18 HE1 HIS 2 HE1 HIS 2 11.522 2.644 -17.138 19 HE2 HIS 2 HE2 HIS 2 11.499 3.937 -14.985 20 H HIS 3 H HIS 3 12.111 10.616 -18.278 21 HA HIS 3 HA HIS 3 14.818 11.563 -19.058 22 HB2 HIS 3 2HB HIS 3 12.168 12.202 -20.440 23 HB3 HIS 3 3HB HIS 3 13.685 13.021 -20.780 24 HD1 HIS 3 HD1 HIS 3 11.804 11.101 -22.686 25 HD2 HIS 3 HD2 HIS 3 15.568 10.304 -21.110 26 HE1 HIS 3 HE1 HIS 3 12.847 9.412 -24.216 27 HE2 HIS 3 HE2 HIS 3 15.164 9.063 -23.326 28 H HIS 4 H HIS 4 15.271 12.757 -17.245 29 HA HIS 4 HA HIS 4 13.306 13.992 -15.623 30 HB2 HIS 4 2HB HIS 4 15.466 13.240 -14.699 31 HB3 HIS 4 3HB HIS 4 16.314 14.466 -15.637 32 HD1 HIS 4 HD1 HIS 4 16.443 16.787 -14.666 33 HD2 HIS 4 HD2 HIS 4 13.816 14.345 -12.568 34 HE1 HIS 4 HE1 HIS 4 15.771 18.097 -12.640 35 HE2 HIS 4 HE2 HIS 4 14.356 16.525 -11.307 36 H HIS 5 H HIS 5 12.361 15.885 -15.777 37 HA HIS 5 HA HIS 5 13.455 18.055 -17.478 38 HB2 HIS 5 2HB HIS 5 10.539 17.415 -16.789 39 HB3 HIS 5 3HB HIS 5 11.076 18.784 -17.752 40 HD1 HIS 5 HD1 HIS 5 9.365 15.941 -18.429 41 HD2 HIS 5 HD2 HIS 5 12.974 17.331 -19.946 42 HE1 HIS 5 HE1 HIS 5 9.689 14.748 -20.608 43 HE2 HIS 5 HE2 HIS 5 11.741 15.793 -21.605 44 H HIS 6 H HIS 6 12.282 20.244 -16.635 45 HA HIS 6 HA HIS 6 13.168 20.622 -13.881 46 HB2 HIS 6 2HB HIS 6 12.774 23.020 -14.278 47 HB3 HIS 6 3HB HIS 6 13.718 22.334 -15.586 48 HD1 HIS 6 HD1 HIS 6 12.867 22.716 -17.905 49 HD2 HIS 6 HD2 HIS 6 9.996 23.601 -15.035 50 HE1 HIS 6 HE1 HIS 6 10.972 23.799 -19.141 51 HE2 HIS 6 HE2 HIS 6 9.298 24.401 -17.375 52 H HIS 7 H HIS 7 10.801 18.927 -14.350 53 HA HIS 7 HA HIS 7 8.958 20.118 -12.470 54 HB2 HIS 7 2HB HIS 7 7.980 21.025 -14.507 55 HB3 HIS 7 3HB HIS 7 8.134 19.487 -15.341 56 HD1 HIS 7 HD1 HIS 7 6.297 17.741 -14.977 57 HD2 HIS 7 HD2 HIS 7 5.752 21.180 -12.708 58 HE1 HIS 7 HE1 HIS 7 3.986 17.565 -14.020 59 HE2 HIS 7 HE2 HIS 7 3.705 19.617 -12.608 60 H ARG 8 H ARG 8 8.087 18.565 -11.233 61 HA ARG 8 HA ARG 8 7.618 15.865 -12.303 62 HB2 ARG 8 2HB ARG 8 9.650 15.759 -10.848 63 HB3 ARG 8 3HB ARG 8 8.746 16.492 -9.527 64 HG2 ARG 8 2HG ARG 8 7.291 14.518 -9.401 65 HG3 ARG 8 3HG ARG 8 8.119 13.790 -10.776 66 HD2 ARG 8 2HD ARG 8 10.194 13.627 -9.472 67 HD3 ARG 8 3HD ARG 8 9.425 14.454 -8.108 68 HE ARG 8 HE ARG 8 7.978 12.109 -8.862 69 HH11 ARG 8 1HH1 ARG 8 10.845 13.095 -7.079 70 HH12 ARG 8 2HH1 ARG 8 10.838 11.700 -6.053 71 HH21 ARG 8 1HH2 ARG 8 7.946 10.330 -7.447 72 HH22 ARG 8 2HH2 ARG 8 9.193 10.135 -6.261 73 H SER 9 H SER 9 5.646 14.970 -11.483 74 HA SER 9 HA SER 9 3.684 16.951 -10.723 75 HB2 SER 9 2HB SER 9 3.402 13.954 -11.186 76 HB3 SER 9 3HB SER 9 2.071 15.114 -11.079 77 HG SER 9 HG SER 9 2.615 14.681 -13.237 78 H GLY 10 H GLY 10 2.156 16.638 -8.953 79 HA2 GLY 10 2HA GLY 10 3.402 15.746 -6.448 80 HA3 GLY 10 3HA GLY 10 1.901 16.642 -6.627 81 H ASP 11 H ASP 11 3.029 13.587 -8.015 82 HA ASP 11 HA ASP 11 0.488 12.295 -7.449 83 HB2 ASP 11 2HB ASP 11 1.299 10.498 -8.925 84 HB3 ASP 11 3HB ASP 11 1.462 12.068 -9.705 85 H ILE 12 H ILE 12 0.367 10.270 -6.447 86 HA ILE 12 HA ILE 12 2.427 9.556 -4.474 87 HB ILE 12 HB ILE 12 -0.403 8.451 -4.808 88 HG12 ILE 12 2HG1 ILE 12 0.517 10.564 -2.799 89 HG13 ILE 12 3HG1 ILE 12 -0.410 10.906 -4.257 90 HG21 ILE 12 1HG2 ILE 12 1.088 6.914 -3.616 91 HG22 ILE 12 2HG2 ILE 12 -0.108 7.586 -2.505 92 HG23 ILE 12 3HG2 ILE 12 1.550 8.196 -2.493 93 HD11 ILE 12 3HD1 ILE 12 -1.861 10.879 -2.341 94 HD12 ILE 12 1HD1 ILE 12 -1.346 9.246 -1.912 95 HD13 ILE 12 2HD1 ILE 12 -2.255 9.529 -3.400 96 H GLN 13 H GLN 13 3.938 8.285 -5.488 97 HA GLN 13 HA GLN 13 3.250 6.403 -7.571 98 HB2 GLN 13 2HB GLN 13 5.408 7.664 -7.587 99 HB3 GLN 13 3HB GLN 13 5.906 6.813 -6.129 100 HG2 GLN 13 2HG GLN 13 5.892 4.672 -7.341 101 HG3 GLN 13 3HG GLN 13 5.321 5.482 -8.801 102 HE21 GLN 13 1HE2 GLN 13 7.729 3.909 -8.418 103 HE22 GLN 13 2HE2 GLN 13 9.052 4.934 -8.831 104 H VAL 14 H VAL 14 2.098 4.711 -6.910 105 HA VAL 14 HA VAL 14 2.666 3.240 -4.428 106 HB VAL 14 HB VAL 14 0.486 2.776 -6.520 107 HG11 VAL 14 1HG1 VAL 14 0.732 1.710 -3.681 108 HG12 VAL 14 2HG1 VAL 14 0.945 0.770 -5.160 109 HG13 VAL 14 3HG1 VAL 14 -0.640 1.441 -4.764 110 HG21 VAL 14 3HG2 VAL 14 -1.043 3.934 -4.968 111 HG22 VAL 14 1HG2 VAL 14 0.251 5.004 -5.519 112 HG23 VAL 14 2HG2 VAL 14 0.316 4.298 -3.899 113 H GLN 15 H GLN 15 3.987 1.478 -4.512 114 HA GLN 15 HA GLN 15 4.074 -0.195 -6.948 115 HB2 GLN 15 2HB GLN 15 6.508 0.681 -5.317 116 HB3 GLN 15 3HB GLN 15 6.535 -0.599 -6.530 117 HG2 GLN 15 2HG GLN 15 5.763 1.118 -8.223 118 HG3 GLN 15 3HG GLN 15 6.019 2.352 -6.992 119 HE21 GLN 15 1HE2 GLN 15 7.307 1.881 -9.622 120 HE22 GLN 15 2HE2 GLN 15 9.001 1.826 -9.292 121 H ASN 16 H ASN 16 4.261 -2.407 -6.574 122 HA ASN 16 HA ASN 16 4.934 -3.290 -3.828 123 HB2 ASN 16 2HB ASN 16 2.574 -3.846 -4.119 124 HB3 ASN 16 3HB ASN 16 2.890 -4.558 -5.697 125 HD21 ASN 16 1HD2 ASN 16 3.220 -5.026 -2.246 126 HD22 ASN 16 2HD2 ASN 16 3.539 -6.710 -2.303 127 H ASN 17 H ASN 17 6.753 -4.438 -3.799 128 HA ASN 17 HA ASN 17 7.838 -5.588 -6.298 129 HB2 ASN 17 2HB ASN 17 9.304 -3.979 -5.082 130 HB3 ASN 17 3HB ASN 17 9.209 -4.970 -3.634 131 HD21 ASN 17 1HD2 ASN 17 10.455 -4.797 -6.911 132 HD22 ASN 17 2HD2 ASN 17 11.655 -6.028 -6.730 133 H ASN 18 H ASN 18 7.303 -7.649 -6.534 134 HA ASN 18 HA ASN 18 6.767 -9.322 -4.166 135 HB2 ASN 18 2HB ASN 18 5.595 -10.870 -5.808 136 HB3 ASN 18 3HB ASN 18 4.858 -9.289 -5.606 137 HD21 ASN 18 1HD2 ASN 18 3.762 -9.867 -7.585 138 HD22 ASN 18 2HD2 ASN 18 4.524 -9.572 -9.105 139 H THR 19 H THR 19 8.223 -10.774 -3.580 140 HA THR 19 HA THR 19 10.218 -11.812 -5.454 141 HB THR 19 HB THR 19 9.830 -12.394 -2.472 142 HG1 THR 19 HG1 THR 19 10.800 -10.213 -3.719 143 HG21 THR 19 3HG2 THR 19 12.165 -13.195 -2.547 144 HG22 THR 19 1HG2 THR 19 12.233 -12.883 -4.274 145 HG23 THR 19 2HG2 THR 19 11.150 -14.135 -3.651 146 H CYS 20 H CYS 20 9.516 -13.447 -6.699 147 HA CYS 20 HA CYS 20 8.155 -15.765 -5.925 148 HB2 CYS 20 2HB CYS 20 6.270 -14.192 -5.413 149 HB3 CYS 20 3HB CYS 20 6.299 -13.619 -7.077 150 H ASN 21 H ASN 21 7.248 -16.927 -7.873 151 HA ASN 21 HA ASN 21 8.777 -16.480 -10.309 152 HB2 ASN 21 2HB ASN 21 7.547 -18.546 -11.106 153 HB3 ASN 21 3HB ASN 21 8.448 -18.775 -9.613 154 HD21 ASN 21 1HD2 ASN 21 7.343 -19.072 -7.685 155 HD22 ASN 21 2HD2 ASN 21 5.661 -19.472 -7.631 156 H GLY 22 H GLY 22 6.013 -15.048 -9.153 157 HA2 GLY 22 2HA GLY 22 4.131 -15.085 -11.238 158 HA3 GLY 22 3HA GLY 22 4.277 -13.842 -10.013 159 H LYS 23 H LYS 23 3.615 -13.643 -12.881 160 HA LYS 23 HA LYS 23 5.908 -12.786 -14.360 161 HB2 LYS 23 2HB LYS 23 4.231 -12.112 -16.111 162 HB3 LYS 23 3HB LYS 23 4.119 -13.790 -15.600 163 HG2 LYS 23 2HG LYS 23 2.099 -13.407 -14.387 164 HG3 LYS 23 3HG LYS 23 2.295 -11.656 -14.444 165 HD2 LYS 23 2HD LYS 23 1.764 -13.423 -16.863 166 HD3 LYS 23 3HD LYS 23 0.534 -12.490 -16.005 167 HE2 LYS 23 2HE LYS 23 1.628 -10.391 -16.622 168 HE3 LYS 23 3HE LYS 23 2.981 -11.266 -17.340 169 HZ1 LYS 23 3HZ LYS 23 1.529 -10.540 -19.059 170 HZ2 LYS 23 1HZ LYS 23 0.185 -11.238 -18.319 171 HZ3 LYS 23 2HZ LYS 23 1.404 -12.214 -18.943 172 H THR 24 H THR 24 3.117 -10.966 -12.999 173 HA THR 24 HA THR 24 4.097 -8.437 -14.004 174 HB THR 24 HB THR 24 1.776 -8.860 -12.068 175 HG1 THR 24 HG1 THR 24 0.949 -9.939 -13.667 176 HG21 THR 24 3HG2 THR 24 0.869 -6.803 -13.099 177 HG22 THR 24 1HG2 THR 24 2.291 -6.680 -14.140 178 HG23 THR 24 2HG2 THR 24 2.454 -6.482 -12.392 179 H PHE 25 H PHE 25 6.096 -8.280 -12.995 180 HA PHE 25 HA PHE 25 6.466 -8.056 -10.143 181 HB2 PHE 25 2HB PHE 25 8.768 -7.413 -10.711 182 HB3 PHE 25 3HB PHE 25 8.291 -8.807 -11.663 183 HD1 PHE 25 HD2 PHE 25 7.654 -8.465 -14.122 184 HD2 PHE 25 HD1 PHE 25 9.516 -5.384 -11.793 185 HE1 PHE 25 HE2 PHE 25 8.292 -7.278 -16.177 186 HE2 PHE 25 HE1 PHE 25 10.146 -4.215 -13.859 187 HZ PHE 25 HZ PHE 25 9.532 -5.155 -16.049 188 H ASP 26 H ASP 26 5.305 -6.012 -12.581 189 HA ASP 26 HA ASP 26 6.360 -3.503 -12.001 190 HB2 ASP 26 2HB ASP 26 5.282 -4.002 -14.128 191 HB3 ASP 26 3HB ASP 26 3.747 -4.325 -13.331 192 H TYR 27 H TYR 27 2.868 -4.144 -11.520 193 HA TYR 27 HA TYR 27 1.328 -3.408 -10.054 194 HB2 TYR 27 2HB TYR 27 3.575 -4.047 -8.116 195 HB3 TYR 27 3HB TYR 27 1.942 -3.654 -7.590 196 HD1 TYR 27 HD1 TYR 27 1.045 -5.359 -10.363 197 HD2 TYR 27 HD2 TYR 27 3.097 -6.121 -6.705 198 HE1 TYR 27 HE1 TYR 27 0.365 -7.711 -10.464 199 HE2 TYR 27 HE2 TYR 27 2.430 -8.462 -6.802 200 HH TYR 27 HH TYR 27 0.673 -9.801 -7.794 201 H THR 28 H THR 28 3.266 -1.366 -11.164 202 HA THR 28 HA THR 28 3.330 0.713 -9.111 203 HB THR 28 HB THR 28 4.467 0.727 -11.948 204 HG1 THR 28 HG1 THR 28 5.317 -0.672 -10.011 205 HG21 THR 28 3HG2 THR 28 4.906 2.666 -9.633 206 HG22 THR 28 1HG2 THR 28 4.048 3.037 -11.129 207 HG23 THR 28 2HG2 THR 28 5.781 2.697 -11.166 208 H TYR 29 H TYR 29 1.616 1.968 -8.924 209 HA TYR 29 HA TYR 29 0.136 2.898 -11.317 210 HB2 TYR 29 2HB TYR 29 -1.028 2.496 -8.513 211 HB3 TYR 29 3HB TYR 29 -1.906 3.042 -9.942 212 HD1 TYR 29 HD1 TYR 29 -1.562 1.353 -12.072 213 HD2 TYR 29 HD2 TYR 29 -1.378 0.246 -7.943 214 HE1 TYR 29 HE1 TYR 29 -2.044 -0.984 -12.670 215 HE2 TYR 29 HE2 TYR 29 -1.863 -2.070 -8.543 216 HH TYR 29 HH TYR 29 -2.973 -3.300 -10.441 217 H THR 30 H THR 30 0.360 4.970 -11.620 218 HA THR 30 HA THR 30 1.365 6.743 -9.506 219 HB THR 30 HB THR 30 1.063 7.216 -12.516 220 HG1 THR 30 HG1 THR 30 2.667 5.535 -11.421 221 HG21 THR 30 3HG2 THR 30 2.711 8.711 -10.443 222 HG22 THR 30 1HG2 THR 30 1.222 9.317 -11.192 223 HG23 THR 30 2HG2 THR 30 2.666 9.052 -12.171 224 H VAL 31 H VAL 31 -0.325 7.460 -8.315 225 HA VAL 31 HA VAL 31 -2.755 8.497 -9.689 226 HB VAL 31 HB VAL 31 -4.073 7.819 -7.629 227 HG11 VAL 31 1HG1 VAL 31 -2.757 5.525 -9.137 228 HG12 VAL 31 2HG1 VAL 31 -4.164 6.453 -9.668 229 HG13 VAL 31 3HG1 VAL 31 -4.276 5.430 -8.234 230 HG21 VAL 31 3HG2 VAL 31 -3.151 6.083 -6.109 231 HG22 VAL 31 1HG2 VAL 31 -2.245 7.595 -5.996 232 HG23 VAL 31 2HG2 VAL 31 -1.574 6.233 -6.896 233 H THR 32 H THR 32 -3.164 10.624 -9.263 234 HA THR 32 HA THR 32 -1.272 11.992 -7.491 235 HB THR 32 HB THR 32 -1.656 12.855 -9.818 236 HG1 THR 32 HG1 THR 32 -1.162 14.184 -7.729 237 HG21 THR 32 3HG2 THR 32 -4.361 13.743 -8.746 238 HG22 THR 32 1HG2 THR 32 -4.109 12.515 -9.996 239 HG23 THR 32 2HG2 THR 32 -3.668 14.196 -10.304 240 H THR 33 H THR 33 -4.631 11.141 -7.630 241 HA THR 33 HA THR 33 -5.226 12.712 -5.200 242 HB THR 33 HB THR 33 -7.225 11.287 -7.010 243 HG1 THR 33 HG1 THR 33 -6.412 12.738 -8.383 244 HG21 THR 33 3HG2 THR 33 -8.836 12.913 -6.068 245 HG22 THR 33 1HG2 THR 33 -7.564 13.614 -5.067 246 HG23 THR 33 2HG2 THR 33 -8.101 11.955 -4.778 247 H GLU 34 H GLU 34 -5.969 11.682 -3.367 248 HA GLU 34 HA GLU 34 -5.129 9.015 -2.851 249 HB2 GLU 34 2HB GLU 34 -6.964 10.825 -1.235 250 HB3 GLU 34 3HB GLU 34 -6.153 9.374 -0.634 251 HG2 GLU 34 2HG GLU 34 -3.966 10.418 -0.947 252 HG3 GLU 34 3HG GLU 34 -4.719 11.839 -1.677 253 H SER 35 H SER 35 -8.210 10.469 -3.729 254 HA SER 35 HA SER 35 -10.033 8.457 -3.187 255 HB2 SER 35 2HB SER 35 -10.011 10.344 -5.579 256 HB3 SER 35 3HB SER 35 -11.431 9.518 -4.916 257 HG SER 35 HG SER 35 -11.273 10.739 -3.077 258 H GLU 36 H GLU 36 -7.834 8.836 -5.936 259 HA GLU 36 HA GLU 36 -8.778 6.710 -7.561 260 HB2 GLU 36 2HB GLU 36 -5.992 7.941 -7.463 261 HB3 GLU 36 3HB GLU 36 -6.646 6.956 -8.775 262 HG2 GLU 36 2HG GLU 36 -8.350 8.721 -9.209 263 HG3 GLU 36 3HG GLU 36 -7.621 9.712 -7.940 264 H LEU 37 H LEU 37 -6.259 6.990 -5.091 265 HA LEU 37 HA LEU 37 -5.066 4.460 -5.351 266 HB2 LEU 37 2HB LEU 37 -4.015 6.373 -4.250 267 HB3 LEU 37 3HB LEU 37 -5.204 6.328 -2.968 268 HG LEU 37 HG LEU 37 -3.523 3.841 -3.345 269 HD11 LEU 37 1HD1 LEU 37 -2.397 6.329 -2.032 270 HD12 LEU 37 2HD1 LEU 37 -1.829 5.596 -3.533 271 HD13 LEU 37 3HD1 LEU 37 -1.674 4.718 -2.014 272 HD21 LEU 37 3HD2 LEU 37 -4.483 5.294 -0.847 273 HD22 LEU 37 1HD2 LEU 37 -3.641 3.741 -0.885 274 HD23 LEU 37 2HD2 LEU 37 -5.251 3.884 -1.581 275 H GLN 38 H GLN 38 -7.938 5.509 -3.643 276 HA GLN 38 HA GLN 38 -8.301 3.391 -1.848 277 HB2 GLN 38 2HB GLN 38 -10.436 5.008 -3.296 278 HB3 GLN 38 3HB GLN 38 -10.708 4.017 -1.864 279 HG2 GLN 38 2HG GLN 38 -9.072 6.559 -2.063 280 HG3 GLN 38 3HG GLN 38 -10.581 6.324 -1.187 281 HE21 GLN 38 1HE2 GLN 38 -10.532 5.042 0.724 282 HE22 GLN 38 2HE2 GLN 38 -9.070 4.834 1.622 283 H LYS 39 H LYS 39 -9.093 3.599 -5.300 284 HA LYS 39 HA LYS 39 -10.377 0.994 -5.333 285 HB2 LYS 39 2HB LYS 39 -9.653 2.855 -7.616 286 HB3 LYS 39 3HB LYS 39 -10.402 1.284 -7.842 287 HG2 LYS 39 2HG LYS 39 -12.242 2.684 -7.944 288 HG3 LYS 39 3HG LYS 39 -12.270 2.174 -6.258 289 HD2 LYS 39 2HD LYS 39 -12.738 4.565 -6.472 290 HD3 LYS 39 3HD LYS 39 -11.224 4.306 -5.589 291 HE2 LYS 39 2HE LYS 39 -11.106 6.155 -7.271 292 HE3 LYS 39 3HE LYS 39 -9.922 4.885 -7.570 293 HZ1 LYS 39 3HZ LYS 39 -11.537 3.975 -9.234 294 HZ2 LYS 39 1HZ LYS 39 -10.899 5.489 -9.625 295 HZ3 LYS 39 2HZ LYS 39 -12.463 5.366 -9.014 296 H VAL 40 H VAL 40 -7.126 2.298 -6.058 297 HA VAL 40 HA VAL 40 -6.276 0.075 -7.611 298 HB VAL 40 HB VAL 40 -4.038 0.814 -7.556 299 HG11 VAL 40 1HG1 VAL 40 -4.146 3.196 -8.145 300 HG12 VAL 40 2HG1 VAL 40 -5.749 3.312 -7.410 301 HG13 VAL 40 3HG1 VAL 40 -5.501 2.287 -8.827 302 HG21 VAL 40 3HG2 VAL 40 -3.649 1.026 -5.158 303 HG22 VAL 40 1HG2 VAL 40 -4.602 2.505 -5.103 304 HG23 VAL 40 2HG2 VAL 40 -3.081 2.470 -5.993 305 H LEU 41 H LEU 41 -6.505 0.553 -4.152 306 HA LEU 41 HA LEU 41 -4.951 -1.707 -3.378 307 HB2 LEU 41 2HB LEU 41 -6.796 0.195 -2.023 308 HB3 LEU 41 3HB LEU 41 -6.727 -1.384 -1.274 309 HG LEU 41 HG LEU 41 -5.147 0.136 -0.189 310 HD11 LEU 41 1HD1 LEU 41 -3.118 -1.235 -0.337 311 HD12 LEU 41 2HD1 LEU 41 -3.728 -2.016 -1.793 312 HD13 LEU 41 3HD1 LEU 41 -4.565 -2.229 -0.252 313 HD21 LEU 41 3HD2 LEU 41 -3.749 0.391 -2.876 314 HD22 LEU 41 1HD2 LEU 41 -3.215 1.086 -1.340 315 HD23 LEU 41 2HD2 LEU 41 -4.706 1.650 -2.091 316 H ASN 42 H ASN 42 -8.352 -1.289 -4.204 317 HA ASN 42 HA ASN 42 -9.331 -3.780 -3.248 318 HB2 ASN 42 2HB ASN 42 -10.452 -1.995 -5.462 319 HB3 ASN 42 3HB ASN 42 -11.336 -3.283 -4.643 320 HD21 ASN 42 1HD2 ASN 42 -11.786 -0.334 -4.828 321 HD22 ASN 42 2HD2 ASN 42 -11.932 0.196 -3.189 322 H GLU 43 H GLU 43 -8.366 -2.687 -6.494 323 HA GLU 43 HA GLU 43 -8.848 -5.178 -7.811 324 HB2 GLU 43 2HB GLU 43 -7.699 -4.079 -9.751 325 HB3 GLU 43 3HB GLU 43 -9.004 -3.117 -9.060 326 HG2 GLU 43 2HG GLU 43 -7.230 -1.835 -7.767 327 HG3 GLU 43 3HG GLU 43 -6.023 -2.679 -8.732 328 H LEU 44 H LEU 44 -5.895 -3.557 -6.592 329 HA LEU 44 HA LEU 44 -4.047 -5.458 -7.669 330 HB2 LEU 44 2HB LEU 44 -3.529 -3.046 -7.167 331 HB3 LEU 44 3HB LEU 44 -3.584 -3.428 -5.457 332 HG LEU 44 HG LEU 44 -1.636 -4.962 -5.750 333 HD11 LEU 44 1HD1 LEU 44 -1.950 -5.633 -8.045 334 HD12 LEU 44 2HD1 LEU 44 -0.349 -4.932 -7.840 335 HD13 LEU 44 3HD1 LEU 44 -1.628 -3.992 -8.613 336 HD21 LEU 44 3HD2 LEU 44 -1.144 -2.129 -6.721 337 HD22 LEU 44 1HD2 LEU 44 0.083 -3.227 -6.073 338 HD23 LEU 44 2HD2 LEU 44 -1.229 -2.665 -5.041 339 H LYS 45 H LYS 45 -5.898 -5.284 -4.731 340 HA LYS 45 HA LYS 45 -4.638 -6.941 -2.923 341 HB2 LYS 45 2HB LYS 45 -6.718 -5.814 -2.417 342 HB3 LYS 45 3HB LYS 45 -7.577 -6.700 -3.670 343 HG2 LYS 45 2HG LYS 45 -7.353 -8.783 -2.359 344 HG3 LYS 45 3HG LYS 45 -6.436 -7.913 -1.128 345 HD2 LYS 45 2HD LYS 45 -8.769 -8.244 -0.437 346 HD3 LYS 45 3HD LYS 45 -8.397 -6.526 -0.610 347 HE2 LYS 45 2HE LYS 45 -10.606 -7.009 -1.542 348 HE3 LYS 45 3HE LYS 45 -9.516 -6.548 -2.851 349 HZ1 LYS 45 3HZ LYS 45 -9.223 -8.915 -3.352 350 HZ2 LYS 45 1HZ LYS 45 -10.847 -8.455 -3.466 351 HZ3 LYS 45 2HZ LYS 45 -10.306 -9.323 -2.121 352 H ASP 46 H ASP 46 -6.656 -7.864 -5.687 353 HA ASP 46 HA ASP 46 -6.619 -10.650 -5.448 354 HB2 ASP 46 2HB ASP 46 -8.183 -9.545 -6.938 355 HB3 ASP 46 3HB ASP 46 -6.873 -8.853 -7.886 356 H TYR 47 H TYR 47 -4.503 -8.490 -7.353 357 HA TYR 47 HA TYR 47 -3.003 -10.533 -8.616 358 HB2 TYR 47 2HB TYR 47 -2.362 -7.586 -8.208 359 HB3 TYR 47 3HB TYR 47 -1.478 -8.655 -9.296 360 HD1 TYR 47 HD1 TYR 47 -2.538 -9.450 -11.400 361 HD2 TYR 47 HD2 TYR 47 -4.575 -6.756 -8.793 362 HE1 TYR 47 HE1 TYR 47 -4.135 -8.917 -13.190 363 HE2 TYR 47 HE2 TYR 47 -6.170 -6.221 -10.571 364 HH TYR 47 HH TYR 47 -6.400 -8.063 -13.444 365 H ILE 48 H ILE 48 -2.327 -8.512 -5.763 366 HA ILE 48 HA ILE 48 0.321 -9.310 -5.222 367 HB ILE 48 HB ILE 48 -1.870 -8.208 -3.406 368 HG12 ILE 48 2HG1 ILE 48 0.630 -6.895 -4.571 369 HG13 ILE 48 3HG1 ILE 48 -1.026 -6.634 -5.109 370 HG21 ILE 48 1HG2 ILE 48 1.027 -8.642 -2.604 371 HG22 ILE 48 2HG2 ILE 48 -0.363 -9.519 -1.967 372 HG23 ILE 48 3HG2 ILE 48 -0.189 -7.794 -1.646 373 HD11 ILE 48 3HD1 ILE 48 -0.290 -4.772 -3.776 374 HD12 ILE 48 1HD1 ILE 48 0.131 -5.830 -2.431 375 HD13 ILE 48 2HD1 ILE 48 -1.558 -5.637 -2.912 376 H LYS 49 H LYS 49 -2.819 -10.561 -4.099 377 HA LYS 49 HA LYS 49 -1.795 -12.635 -2.436 378 HB2 LYS 49 2HB LYS 49 -4.088 -11.608 -2.291 379 HB3 LYS 49 3HB LYS 49 -4.509 -12.418 -3.797 380 HG2 LYS 49 2HG LYS 49 -4.090 -14.625 -2.648 381 HG3 LYS 49 3HG LYS 49 -3.841 -13.731 -1.141 382 HD2 LYS 49 2HD LYS 49 -6.175 -12.785 -1.405 383 HD3 LYS 49 3HD LYS 49 -6.391 -13.845 -2.802 384 HE2 LYS 49 2HE LYS 49 -5.858 -14.736 0.052 385 HE3 LYS 49 3HE LYS 49 -7.405 -14.821 -0.792 386 HZ1 LYS 49 3HZ LYS 49 -6.325 -16.952 -0.819 387 HZ2 LYS 49 1HZ LYS 49 -4.933 -16.299 -1.515 388 HZ3 LYS 49 2HZ LYS 49 -6.371 -16.346 -2.392 389 H LYS 50 H LYS 50 -2.532 -12.402 -5.856 390 HA LYS 50 HA LYS 50 -2.689 -15.234 -6.389 391 HB2 LYS 50 2HB LYS 50 -4.062 -13.549 -7.550 392 HB3 LYS 50 3HB LYS 50 -2.618 -12.828 -8.249 393 HG2 LYS 50 2HG LYS 50 -2.231 -14.773 -9.630 394 HG3 LYS 50 3HG LYS 50 -3.485 -15.686 -8.785 395 HD2 LYS 50 2HD LYS 50 -3.996 -13.181 -10.442 396 HD3 LYS 50 3HD LYS 50 -4.206 -14.828 -11.036 397 HE2 LYS 50 2HE LYS 50 -5.954 -15.227 -9.334 398 HE3 LYS 50 3HE LYS 50 -5.723 -13.597 -8.700 399 HZ1 LYS 50 3HZ LYS 50 -7.652 -13.828 -10.195 400 HZ2 LYS 50 1HZ LYS 50 -6.609 -14.184 -11.479 401 HZ3 LYS 50 2HZ LYS 50 -6.541 -12.677 -10.718 402 H GLN 51 H GLN 51 -0.208 -12.773 -6.549 403 HA GLN 51 HA GLN 51 1.744 -14.753 -7.591 404 HB2 GLN 51 2HB GLN 51 1.829 -11.726 -7.950 405 HB3 GLN 51 3HB GLN 51 3.033 -12.871 -8.538 406 HG2 GLN 51 2HG GLN 51 1.183 -13.884 -9.968 407 HG3 GLN 51 3HG GLN 51 0.185 -12.504 -9.512 408 HE21 GLN 51 1HE2 GLN 51 2.575 -10.684 -9.534 409 HE22 GLN 51 2HE2 GLN 51 2.889 -10.411 -11.195 410 H GLY 52 H GLY 52 0.758 -13.716 -4.798 411 HA2 GLY 52 2HA GLY 52 3.375 -13.041 -3.613 412 HA3 GLY 52 3HA GLY 52 1.815 -13.088 -2.787 413 H CYS 53 H CYS 53 3.721 -15.385 -4.746 414 HA CYS 53 HA CYS 53 2.802 -17.673 -3.271 415 HB2 CYS 53 2HB CYS 53 4.184 -18.975 -4.793 416 HB3 CYS 53 3HB CYS 53 3.356 -17.729 -5.717 417 H LYS 54 H LYS 54 5.209 -15.427 -2.643 418 HA LYS 54 HA LYS 54 6.490 -17.120 -0.616 419 HB2 LYS 54 2HB LYS 54 7.941 -17.286 -2.592 420 HB3 LYS 54 3HB LYS 54 7.971 -15.538 -2.760 421 HG2 LYS 54 2HG LYS 54 9.228 -15.336 -0.657 422 HG3 LYS 54 3HG LYS 54 9.148 -17.088 -0.437 423 HD2 LYS 54 2HD LYS 54 10.457 -17.414 -2.515 424 HD3 LYS 54 3HD LYS 54 10.546 -15.662 -2.742 425 HE2 LYS 54 2HE LYS 54 12.629 -16.517 -1.762 426 HE3 LYS 54 3HE LYS 54 11.796 -15.467 -0.618 427 HZ1 LYS 54 3HZ LYS 54 11.761 -18.438 -0.587 428 HZ2 LYS 54 1HZ LYS 54 10.943 -17.444 0.508 429 HZ3 LYS 54 2HZ LYS 54 12.632 -17.448 0.466 430 H ARG 55 H ARG 55 7.068 -13.821 -1.955 431 HA ARG 55 HA ARG 55 5.953 -12.546 0.444 432 HB2 ARG 55 2HB ARG 55 8.868 -12.183 -0.410 433 HB3 ARG 55 3HB ARG 55 8.027 -11.052 0.647 434 HG2 ARG 55 2HG ARG 55 7.726 -12.806 2.339 435 HG3 ARG 55 3HG ARG 55 8.494 -13.990 1.279 436 HD2 ARG 55 2HD ARG 55 10.079 -13.231 2.977 437 HD3 ARG 55 3HD ARG 55 10.593 -12.691 1.376 438 HE ARG 55 HE ARG 55 9.027 -10.770 2.897 439 HH11 ARG 55 1HH1 ARG 55 12.278 -11.882 2.120 440 HH12 ARG 55 2HH1 ARG 55 13.022 -10.385 2.574 441 HH21 ARG 55 1HH2 ARG 55 10.008 -8.829 3.467 442 HH22 ARG 55 2HH2 ARG 55 11.731 -8.644 3.337 443 H SER 56 H SER 56 5.161 -10.511 0.070 444 HA SER 56 HA SER 56 5.847 -9.051 -2.392 445 HB2 SER 56 2HB SER 56 3.355 -8.515 -2.671 446 HB3 SER 56 3HB SER 56 3.808 -10.181 -3.039 447 HG SER 56 HG SER 56 2.745 -9.304 -0.549 448 H ARG 57 H ARG 57 6.516 -7.060 -1.773 449 HA ARG 57 HA ARG 57 5.653 -5.944 0.841 450 HB2 ARG 57 2HB ARG 57 8.122 -6.655 0.487 451 HB3 ARG 57 3HB ARG 57 8.254 -5.306 -0.636 452 HG2 ARG 57 2HG ARG 57 7.669 -3.744 1.191 453 HG3 ARG 57 3HG ARG 57 7.543 -5.103 2.309 454 HD2 ARG 57 2HD ARG 57 10.010 -5.603 1.713 455 HD3 ARG 57 3HD ARG 57 10.037 -4.001 0.962 456 HE ARG 57 HE ARG 57 9.569 -4.574 3.827 457 HH11 ARG 57 1HH1 ARG 57 10.580 -2.245 1.370 458 HH12 ARG 57 2HH1 ARG 57 11.048 -1.055 2.541 459 HH21 ARG 57 1HH2 ARG 57 10.191 -2.985 5.316 460 HH22 ARG 57 2HH2 ARG 57 10.829 -1.472 4.755 461 H THR 58 H THR 58 4.258 -4.228 0.591 462 HA THR 58 HA THR 58 4.201 -2.765 -1.976 463 HB THR 58 HB THR 58 2.150 -2.672 0.282 464 HG1 THR 58 HG1 THR 58 1.385 -4.479 -0.455 465 HG21 THR 58 3HG2 THR 58 0.625 -1.792 -1.444 466 HG22 THR 58 1HG2 THR 58 1.921 -1.849 -2.641 467 HG23 THR 58 2HG2 THR 58 2.034 -0.742 -1.268 468 H SER 59 H SER 59 5.170 -0.854 -2.072 469 HA SER 59 HA SER 59 5.534 0.832 0.339 470 HB2 SER 59 2HB SER 59 7.613 -0.113 -0.757 471 HB3 SER 59 3HB SER 59 7.213 0.789 -2.213 472 HG SER 59 HG SER 59 7.674 1.906 0.357 473 H ILE 60 H ILE 60 4.279 2.595 0.338 474 HA ILE 60 HA ILE 60 3.317 3.827 -2.186 475 HB ILE 60 HB ILE 60 2.105 3.857 0.626 476 HG12 ILE 60 2HG1 ILE 60 1.092 2.655 -1.988 477 HG13 ILE 60 3HG1 ILE 60 1.624 1.774 -0.560 478 HG21 ILE 60 1HG2 ILE 60 0.269 5.234 -0.248 479 HG22 ILE 60 2HG2 ILE 60 1.068 5.326 -1.819 480 HG23 ILE 60 3HG2 ILE 60 1.810 6.076 -0.404 481 HD11 ILE 60 3HD1 ILE 60 -0.773 1.736 -0.707 482 HD12 ILE 60 1HD1 ILE 60 -0.852 3.497 -0.783 483 HD13 ILE 60 2HD1 ILE 60 -0.296 2.696 0.692 484 H THR 61 H THR 61 4.122 5.854 -2.631 485 HA THR 61 HA THR 61 6.142 7.072 -1.094 486 HB THR 61 HB THR 61 4.437 8.267 -3.318 487 HG1 THR 61 HG1 THR 61 5.680 6.364 -3.853 488 HG21 THR 61 3HG2 THR 61 7.126 9.220 -2.236 489 HG22 THR 61 1HG2 THR 61 5.586 10.076 -2.079 490 HG23 THR 61 2HG2 THR 61 6.317 9.856 -3.670 491 H ALA 62 H ALA 62 5.679 7.693 0.930 492 HA ALA 62 HA ALA 62 3.332 9.288 1.639 493 HB1 ALA 62 3HB ALA 62 4.045 7.493 3.157 494 HB2 ALA 62 1HB ALA 62 4.155 9.062 3.958 495 HB3 ALA 62 2HB ALA 62 5.618 8.260 3.368 496 H ARG 63 H ARG 63 3.377 11.461 1.882 497 HA ARG 63 HA ARG 63 5.818 12.943 1.279 498 HB2 ARG 63 2HB ARG 63 2.951 13.907 1.701 499 HB3 ARG 63 3HB ARG 63 4.291 14.912 1.154 500 HG2 ARG 63 2HG ARG 63 3.039 12.577 -0.347 501 HG3 ARG 63 3HG ARG 63 2.918 14.294 -0.756 502 HD2 ARG 63 2HD ARG 63 5.410 14.333 -1.064 503 HD3 ARG 63 3HD ARG 63 5.429 12.585 -0.804 504 HE ARG 63 HE ARG 63 3.632 13.070 -2.863 505 HH11 ARG 63 1HH1 ARG 63 7.083 13.507 -2.298 506 HH12 ARG 63 2HH1 ARG 63 7.500 13.350 -3.973 507 HH21 ARG 63 1HH2 ARG 63 4.219 12.871 -5.069 508 HH22 ARG 63 2HH2 ARG 63 5.886 12.993 -5.526 509 H THR 64 H THR 64 3.229 13.499 3.658 510 HA THR 64 HA THR 64 5.136 14.355 5.720 511 HB THR 64 HB THR 64 3.092 15.101 6.941 512 HG1 THR 64 HG1 THR 64 1.074 15.002 5.654 513 HG21 THR 64 3HG2 THR 64 2.362 16.892 5.409 514 HG22 THR 64 1HG2 THR 64 3.108 16.049 4.045 515 HG23 THR 64 2HG2 THR 64 4.113 16.691 5.348 516 H LYS 65 H LYS 65 4.425 13.616 8.034 517 HA LYS 65 HA LYS 65 4.434 10.787 8.302 518 HB2 LYS 65 2HB LYS 65 4.187 11.123 10.684 519 HB3 LYS 65 3HB LYS 65 5.269 12.364 10.069 520 HG2 LYS 65 2HG LYS 65 3.420 14.006 10.127 521 HG3 LYS 65 3HG LYS 65 2.334 12.761 10.744 522 HD2 LYS 65 2HD LYS 65 3.102 14.173 12.578 523 HD3 LYS 65 3HD LYS 65 3.748 12.542 12.768 524 HE2 LYS 65 2HE LYS 65 5.922 13.313 11.848 525 HE3 LYS 65 3HE LYS 65 5.258 14.940 11.672 526 HZ1 LYS 65 3HZ LYS 65 5.603 13.471 14.228 527 HZ2 LYS 65 1HZ LYS 65 4.939 15.015 14.077 528 HZ3 LYS 65 2HZ LYS 65 6.557 14.749 13.684 529 H LYS 66 H LYS 66 1.884 13.180 8.039 530 HA LYS 66 HA LYS 66 -0.278 11.631 9.002 531 HB2 LYS 66 2HB LYS 66 0.001 14.254 7.603 532 HB3 LYS 66 3HB LYS 66 -1.529 13.438 7.325 533 HG2 LYS 66 2HG LYS 66 -1.707 15.003 9.204 534 HG3 LYS 66 3HG LYS 66 -1.963 13.335 9.735 535 HD2 LYS 66 2HD LYS 66 0.496 13.323 10.451 536 HD3 LYS 66 3HD LYS 66 0.506 15.063 10.153 537 HE2 LYS 66 2HE LYS 66 0.158 14.615 12.522 538 HE3 LYS 66 3HE LYS 66 -1.309 15.321 11.840 539 HZ1 LYS 66 3HZ LYS 66 -0.877 12.409 12.240 540 HZ2 LYS 66 1HZ LYS 66 -2.308 13.153 11.748 541 HZ3 LYS 66 2HZ LYS 66 -1.720 13.401 13.311 542 H GLU 67 H GLU 67 1.270 11.866 5.855 543 HA GLU 67 HA GLU 67 -0.620 10.201 4.479 544 HB2 GLU 67 2HB GLU 67 2.331 10.525 3.789 545 HB3 GLU 67 3HB GLU 67 1.019 10.052 2.709 546 HG2 GLU 67 2HG GLU 67 1.581 12.781 3.890 547 HG3 GLU 67 3HG GLU 67 1.646 12.308 2.195 548 H ALA 68 H ALA 68 2.465 9.667 6.150 549 HA ALA 68 HA ALA 68 2.883 6.965 5.554 550 HB1 ALA 68 3HB ALA 68 4.628 8.471 6.409 551 HB2 ALA 68 1HB ALA 68 4.510 7.015 7.402 552 HB3 ALA 68 2HB ALA 68 3.822 8.536 7.977 553 H GLU 69 H GLU 69 0.937 8.438 8.108 554 HA GLU 69 HA GLU 69 0.663 5.948 9.600 555 HB2 GLU 69 2HB GLU 69 -0.714 7.291 11.180 556 HB3 GLU 69 3HB GLU 69 0.859 8.028 10.873 557 HG2 GLU 69 2HG GLU 69 -0.274 9.533 9.195 558 HG3 GLU 69 3HG GLU 69 -1.818 8.885 9.738 559 H LYS 70 H LYS 70 -1.336 7.901 7.355 560 HA LYS 70 HA LYS 70 -3.739 6.386 7.983 561 HB2 LYS 70 2HB LYS 70 -4.935 7.835 6.467 562 HB3 LYS 70 3HB LYS 70 -3.871 8.816 7.470 563 HG2 LYS 70 2HG LYS 70 -2.236 8.875 5.566 564 HG3 LYS 70 3HG LYS 70 -3.442 8.050 4.568 565 HD2 LYS 70 2HD LYS 70 -5.001 9.960 4.862 566 HD3 LYS 70 3HD LYS 70 -3.832 10.769 5.913 567 HE2 LYS 70 2HE LYS 70 -2.233 10.861 4.030 568 HE3 LYS 70 3HE LYS 70 -3.426 10.087 2.989 569 HZ1 LYS 70 3HZ LYS 70 -3.235 12.551 2.827 570 HZ2 LYS 70 1HZ LYS 70 -3.938 12.647 4.359 571 HZ3 LYS 70 2HZ LYS 70 -4.791 11.954 3.076 572 H PHE 71 H PHE 71 -1.424 6.565 5.223 573 HA PHE 71 HA PHE 71 -2.825 4.614 3.678 574 HB2 PHE 71 2HB PHE 71 0.012 5.638 3.383 575 HB3 PHE 71 3HB PHE 71 -0.685 4.426 2.309 576 HD1 PHE 71 HD1 PHE 71 -2.695 5.079 0.857 577 HD2 PHE 71 HD2 PHE 71 -0.528 7.900 3.095 578 HE1 PHE 71 HE1 PHE 71 -3.636 6.912 -0.495 579 HE2 PHE 71 HE2 PHE 71 -1.425 9.730 1.749 580 HZ PHE 71 HZ PHE 71 -3.000 9.226 -0.050 581 H ALA 72 H ALA 72 -0.464 4.432 6.255 582 HA ALA 72 HA ALA 72 0.253 1.726 6.093 583 HB1 ALA 72 3HB ALA 72 1.262 3.254 7.731 584 HB2 ALA 72 1HB ALA 72 0.594 1.830 8.537 585 HB3 ALA 72 2HB ALA 72 -0.272 3.370 8.597 586 H ALA 73 H ALA 73 -2.492 3.267 7.820 587 HA ALA 73 HA ALA 73 -3.888 0.994 8.627 588 HB1 ALA 73 3HB ALA 73 -4.400 3.267 9.413 589 HB2 ALA 73 1HB ALA 73 -5.852 2.460 8.807 590 HB3 ALA 73 2HB ALA 73 -5.043 3.687 7.825 591 H ILE 74 H ILE 74 -4.173 2.832 5.588 592 HA ILE 74 HA ILE 74 -6.272 1.485 4.328 593 HB ILE 74 HB ILE 74 -3.858 2.984 3.158 594 HG12 ILE 74 2HG1 ILE 74 -6.782 3.854 3.411 595 HG13 ILE 74 3HG1 ILE 74 -5.530 4.259 4.577 596 HG21 ILE 74 1HG2 ILE 74 -6.335 2.027 1.658 597 HG22 ILE 74 2HG2 ILE 74 -4.688 1.445 1.418 598 HG23 ILE 74 3HG2 ILE 74 -5.097 3.109 1.006 599 HD11 ILE 74 3HD1 ILE 74 -4.326 5.529 2.873 600 HD12 ILE 74 1HD1 ILE 74 -5.981 6.107 3.080 601 HD13 ILE 74 2HD1 ILE 74 -5.569 5.119 1.680 602 H LEU 75 H LEU 75 -2.821 0.658 4.495 603 HA LEU 75 HA LEU 75 -3.013 -1.570 2.682 604 HB2 LEU 75 2HB LEU 75 -0.786 -0.688 4.555 605 HB3 LEU 75 3HB LEU 75 -0.650 -2.054 3.457 606 HG LEU 75 HG LEU 75 -1.034 0.857 2.644 607 HD11 LEU 75 1HD1 LEU 75 1.392 -0.924 2.324 608 HD12 LEU 75 2HD1 LEU 75 1.227 0.445 3.425 609 HD13 LEU 75 3HD1 LEU 75 1.215 0.718 1.686 610 HD21 LEU 75 3HD2 LEU 75 -0.720 0.063 0.331 611 HD22 LEU 75 1HD2 LEU 75 -2.194 -0.539 1.080 612 HD23 LEU 75 2HD2 LEU 75 -0.796 -1.605 0.909 613 H ILE 76 H ILE 76 -2.797 -1.275 6.281 614 HA ILE 76 HA ILE 76 -2.686 -4.021 6.883 615 HB ILE 76 HB ILE 76 -3.465 -1.584 8.503 616 HG12 ILE 76 2HG1 ILE 76 -1.609 -2.468 10.022 617 HG13 ILE 76 3HG1 ILE 76 -1.334 -3.736 8.840 618 HG21 ILE 76 1HG2 ILE 76 -5.111 -3.208 9.314 619 HG22 ILE 76 2HG2 ILE 76 -3.881 -2.927 10.547 620 HG23 ILE 76 3HG2 ILE 76 -3.833 -4.401 9.577 621 HD11 ILE 76 3HD1 ILE 76 0.298 -1.992 8.645 622 HD12 ILE 76 1HD1 ILE 76 -0.970 -0.789 8.427 623 HD13 ILE 76 2HD1 ILE 76 -0.713 -2.029 7.198 624 H LYS 77 H LYS 77 -5.488 -1.895 6.412 625 HA LYS 77 HA LYS 77 -7.573 -3.549 7.231 626 HB2 LYS 77 2HB LYS 77 -7.335 -1.126 5.489 627 HB3 LYS 77 3HB LYS 77 -8.757 -2.100 5.177 628 HG2 LYS 77 2HG LYS 77 -9.430 -0.391 6.653 629 HG3 LYS 77 3HG LYS 77 -9.383 -1.864 7.607 630 HD2 LYS 77 2HD LYS 77 -7.093 0.123 7.642 631 HD3 LYS 77 3HD LYS 77 -8.522 0.355 8.640 632 HE2 LYS 77 2HE LYS 77 -6.676 -2.051 8.772 633 HE3 LYS 77 3HE LYS 77 -6.677 -0.688 9.892 634 HZ1 LYS 77 3HZ LYS 77 -8.908 -1.256 10.568 635 HZ2 LYS 77 1HZ LYS 77 -7.906 -2.606 10.749 636 HZ3 LYS 77 2HZ LYS 77 -8.980 -2.517 9.450 637 H VAL 78 H VAL 78 -5.866 -3.432 4.171 638 HA VAL 78 HA VAL 78 -7.562 -5.310 2.784 639 HB VAL 78 HB VAL 78 -4.863 -4.085 2.059 640 HG11 VAL 78 1HG1 VAL 78 -5.265 -4.824 -0.270 641 HG12 VAL 78 2HG1 VAL 78 -6.705 -5.697 0.260 642 HG13 VAL 78 3HG1 VAL 78 -5.113 -6.196 0.832 643 HG21 VAL 78 3HG2 VAL 78 -6.659 -2.426 2.231 644 HG22 VAL 78 1HG2 VAL 78 -7.673 -3.376 1.138 645 HG23 VAL 78 2HG2 VAL 78 -6.187 -2.631 0.542 646 H TYR 79 H TYR 79 -4.461 -5.441 4.527 647 HA TYR 79 HA TYR 79 -3.747 -8.057 3.499 648 HB2 TYR 79 2HB TYR 79 -2.401 -6.419 5.682 649 HB3 TYR 79 3HB TYR 79 -1.731 -7.868 4.936 650 HD1 TYR 79 HD2 TYR 79 -3.113 -6.446 2.159 651 HD2 TYR 79 HD1 TYR 79 -0.041 -5.579 4.976 652 HE1 TYR 79 HE2 TYR 79 -2.044 -5.007 0.525 653 HE2 TYR 79 HE1 TYR 79 1.040 -4.127 3.318 654 HH TYR 79 HH TYR 79 -0.544 -3.094 0.508 655 H ALA 80 H ALA 80 -5.439 -6.876 6.294 656 HA ALA 80 HA ALA 80 -5.233 -9.247 7.882 657 HB1 ALA 80 3HB ALA 80 -5.866 -7.093 8.865 658 HB2 ALA 80 1HB ALA 80 -7.126 -8.297 9.149 659 HB3 ALA 80 2HB ALA 80 -7.343 -7.065 7.897 660 H GLU 81 H GLU 81 -7.053 -8.339 5.076 661 HA GLU 81 HA GLU 81 -8.961 -10.522 5.217 662 HB2 GLU 81 2HB GLU 81 -8.252 -8.728 2.853 663 HB3 GLU 81 3HB GLU 81 -9.686 -9.744 3.009 664 HG2 GLU 81 2HG GLU 81 -9.024 -7.314 4.713 665 HG3 GLU 81 3HG GLU 81 -10.191 -7.362 3.393 666 H LEU 82 H LEU 82 -5.803 -9.903 3.856 667 HA LEU 82 HA LEU 82 -5.758 -12.291 2.172 668 HB2 LEU 82 2HB LEU 82 -3.560 -10.261 2.762 669 HB3 LEU 82 3HB LEU 82 -3.511 -11.501 1.516 670 HG LEU 82 HG LEU 82 -5.350 -9.071 1.574 671 HD11 LEU 82 1HD1 LEU 82 -3.058 -8.509 0.948 672 HD12 LEU 82 2HD1 LEU 82 -4.148 -8.340 -0.426 673 HD13 LEU 82 3HD1 LEU 82 -3.076 -9.742 -0.319 674 HD21 LEU 82 3HD2 LEU 82 -5.237 -11.320 -0.453 675 HD22 LEU 82 1HD2 LEU 82 -6.143 -9.815 -0.633 676 HD23 LEU 82 2HD2 LEU 82 -6.569 -10.942 0.646 677 H GLY 83 H GLY 83 -5.089 -11.541 5.395 678 HA2 GLY 83 2HA GLY 83 -4.334 -14.088 6.240 679 HA3 GLY 83 3HA GLY 83 -2.845 -13.176 6.009 680 H TYR 84 H TYR 84 -5.531 -13.721 8.087 681 HA TYR 84 HA TYR 84 -5.545 -11.139 9.379 682 HB2 TYR 84 2HB TYR 84 -7.564 -12.746 9.048 683 HB3 TYR 84 3HB TYR 84 -6.940 -13.630 10.436 684 HD1 TYR 84 HD2 TYR 84 -6.704 -12.346 12.676 685 HD2 TYR 84 HD1 TYR 84 -8.876 -10.761 9.346 686 HE1 TYR 84 HE2 TYR 84 -7.812 -10.738 14.154 687 HE2 TYR 84 HE1 TYR 84 -9.987 -9.161 10.835 688 HH TYR 84 HH TYR 84 -8.949 -8.498 13.964 689 H ASN 85 H ASN 85 -3.767 -10.656 10.484 690 HA ASN 85 HA ASN 85 -3.321 -11.755 13.075 691 HB2 ASN 85 2HB ASN 85 -0.949 -12.459 12.790 692 HB3 ASN 85 3HB ASN 85 -2.018 -13.447 11.810 693 HD21 ASN 85 1HD2 ASN 85 0.559 -11.121 11.767 694 HD22 ASN 85 2HD2 ASN 85 0.856 -11.180 10.068 695 H ASP 86 H ASP 86 -0.996 -10.616 13.829 696 HA ASP 86 HA ASP 86 -1.322 -7.800 13.606 697 HB2 ASP 86 2HB ASP 86 1.087 -9.424 14.560 698 HB3 ASP 86 3HB ASP 86 0.904 -7.685 14.772 699 H ILE 87 H ILE 87 -1.094 -6.896 11.596 700 HA ILE 87 HA ILE 87 0.891 -7.859 9.687 701 HB ILE 87 HB ILE 87 -0.959 -5.440 9.406 702 HG12 ILE 87 2HG1 ILE 87 -2.327 -7.475 9.811 703 HG13 ILE 87 3HG1 ILE 87 -2.532 -6.897 8.161 704 HG21 ILE 87 1HG2 ILE 87 0.911 -5.436 7.808 705 HG22 ILE 87 2HG2 ILE 87 -0.616 -5.724 6.971 706 HG23 ILE 87 3HG2 ILE 87 0.491 -7.067 7.277 707 HD11 ILE 87 3HD1 ILE 87 -1.011 -8.658 7.381 708 HD12 ILE 87 1HD1 ILE 87 -2.420 -9.288 8.232 709 HD13 ILE 87 2HD1 ILE 87 -0.858 -9.236 9.047 710 H ASN 88 H ASN 88 2.893 -6.889 9.320 711 HA ASN 88 HA ASN 88 3.725 -4.857 11.272 712 HB2 ASN 88 2HB ASN 88 5.350 -6.624 9.402 713 HB3 ASN 88 3HB ASN 88 6.062 -5.432 10.487 714 HD21 ASN 88 1HD2 ASN 88 6.599 -8.205 10.496 715 HD22 ASN 88 2HD2 ASN 88 6.125 -8.821 12.038 716 H VAL 89 H VAL 89 4.273 -2.844 10.806 717 HA VAL 89 HA VAL 89 4.442 -1.906 8.004 718 HB VAL 89 HB VAL 89 2.621 -0.838 9.281 719 HG11 VAL 89 1HG1 VAL 89 3.028 0.606 11.235 720 HG12 VAL 89 2HG1 VAL 89 4.735 0.153 11.228 721 HG13 VAL 89 3HG1 VAL 89 3.499 -1.063 11.567 722 HG21 VAL 89 3HG2 VAL 89 3.188 1.535 8.872 723 HG22 VAL 89 1HG2 VAL 89 3.751 0.500 7.556 724 HG23 VAL 89 2HG2 VAL 89 4.899 1.108 8.752 725 H THR 90 H THR 90 6.238 -0.770 7.379 726 HA THR 90 HA THR 90 8.431 -0.198 9.252 727 HB THR 90 HB THR 90 8.747 -1.766 6.642 728 HG1 THR 90 HG1 THR 90 8.588 -2.505 9.324 729 HG21 THR 90 3HG2 THR 90 10.673 -0.262 6.977 730 HG22 THR 90 1HG2 THR 90 11.151 -1.939 7.264 731 HG23 THR 90 2HG2 THR 90 10.870 -0.857 8.629 732 H TRP 91 H TRP 91 8.505 1.978 9.034 733 HA TRP 91 HA TRP 91 8.196 3.289 6.448 734 HB2 TRP 91 2HB TRP 91 8.822 4.460 9.196 735 HB3 TRP 91 3HB TRP 91 8.477 5.393 7.742 736 HD1 TRP 91 HD1 TRP 91 5.887 5.080 6.725 737 HE1 TRP 91 HE1 TRP 91 3.681 4.773 8.007 738 HE3 TRP 91 HE3 TRP 91 7.767 3.469 11.203 739 HZ2 TRP 91 HZ2 TRP 91 2.838 3.961 10.569 740 HZ3 TRP 91 HZ3 TRP 91 6.194 2.943 13.024 741 HH2 TRP 91 HH2 TRP 91 3.777 3.183 12.713 742 H ASP 92 H ASP 92 9.873 2.786 5.200 743 HA ASP 92 HA ASP 92 12.635 3.445 6.095 744 HB2 ASP 92 2HB ASP 92 13.383 1.869 4.255 745 HB3 ASP 92 3HB ASP 92 12.547 1.092 5.592 746 H GLY 93 H GLY 93 13.675 5.030 5.049 747 HA2 GLY 93 2HA GLY 93 14.148 6.762 3.623 748 HA3 GLY 93 3HA GLY 93 13.332 5.830 2.367 749 H ASP 94 H ASP 94 11.722 6.880 5.318 750 HA ASP 94 HA ASP 94 10.002 8.244 5.830 751 HB2 ASP 94 2HB ASP 94 10.895 9.906 3.442 752 HB3 ASP 94 3HB ASP 94 9.744 10.443 4.659 753 H THR 95 H THR 95 9.857 6.112 3.608 754 HA THR 95 HA THR 95 7.312 6.845 2.308 755 HB THR 95 HB THR 95 9.284 4.581 1.714 756 HG1 THR 95 HG1 THR 95 10.150 6.679 1.306 757 HG21 THR 95 3HG2 THR 95 6.972 5.636 0.040 758 HG22 THR 95 1HG2 THR 95 6.999 4.086 0.887 759 HG23 THR 95 2HG2 THR 95 8.116 4.384 -0.447 760 H VAL 96 H VAL 96 5.458 5.439 2.609 761 HA VAL 96 HA VAL 96 5.612 3.802 5.051 762 HB VAL 96 HB VAL 96 3.768 5.339 5.100 763 HG11 VAL 96 1HG1 VAL 96 3.448 5.776 2.707 764 HG12 VAL 96 2HG1 VAL 96 1.914 5.366 3.480 765 HG13 VAL 96 3HG1 VAL 96 2.755 4.165 2.493 766 HG21 VAL 96 3HG2 VAL 96 2.698 2.545 4.566 767 HG22 VAL 96 1HG2 VAL 96 1.861 3.815 5.464 768 HG23 VAL 96 2HG2 VAL 96 3.358 3.126 6.098 769 H THR 97 H THR 97 6.220 1.810 4.759 770 HA THR 97 HA THR 97 5.248 0.250 2.437 771 HB THR 97 HB THR 97 7.890 -0.219 3.890 772 HG1 THR 97 HG1 THR 97 8.746 1.322 2.766 773 HG21 THR 97 3HG2 THR 97 7.010 -2.132 2.614 774 HG22 THR 97 1HG2 THR 97 8.452 -1.473 1.840 775 HG23 THR 97 2HG2 THR 97 6.858 -1.119 1.177 776 H VAL 98 H VAL 98 3.985 -1.431 3.021 777 HA VAL 98 HA VAL 98 4.281 -2.624 5.720 778 HB VAL 98 HB VAL 98 1.669 -2.267 4.157 779 HG11 VAL 98 1HG1 VAL 98 2.109 -3.404 6.945 780 HG12 VAL 98 2HG1 VAL 98 1.664 -4.330 5.507 781 HG13 VAL 98 3HG1 VAL 98 0.543 -3.140 6.165 782 HG21 VAL 98 3HG2 VAL 98 2.465 -0.123 5.100 783 HG22 VAL 98 1HG2 VAL 98 2.601 -0.861 6.699 784 HG23 VAL 98 2HG2 VAL 98 1.014 -0.674 5.943 785 H GLU 99 H GLU 99 4.151 -4.841 5.837 786 HA GLU 99 HA GLU 99 3.834 -6.458 3.404 787 HB2 GLU 99 2HB GLU 99 6.304 -5.884 3.737 788 HB3 GLU 99 3HB GLU 99 6.240 -6.736 5.276 789 HG2 GLU 99 2HG GLU 99 5.583 -8.820 3.999 790 HG3 GLU 99 3HG GLU 99 5.874 -7.930 2.501 791 H GLY 100 H GLY 100 3.452 -8.745 3.928 792 HA2 GLY 100 2HA GLY 100 1.910 -9.324 6.229 793 HA3 GLY 100 3HA GLY 100 2.571 -10.503 5.112 794 H GLN 101 H GLN 101 2.413 -10.313 8.172 795 HA GLN 101 HA GLN 101 5.113 -10.018 9.125 796 HB2 GLN 101 2HB GLN 101 3.294 -9.447 10.607 797 HB3 GLN 101 3HB GLN 101 2.571 -11.043 10.437 798 HG2 GLN 101 2HG GLN 101 4.531 -12.027 11.636 799 HG3 GLN 101 3HG GLN 101 5.204 -10.413 11.830 800 HE21 GLN 101 1HE2 GLN 101 4.246 -8.984 13.299 801 HE22 GLN 101 2HE2 GLN 101 3.129 -9.515 14.506 802 H LEU 102 H LEU 102 6.521 -11.487 8.373 803 HA LEU 102 HA LEU 102 6.008 -14.374 8.509 804 HB2 LEU 102 2HB LEU 102 8.157 -14.708 7.518 805 HB3 LEU 102 3HB LEU 102 7.371 -13.421 6.627 806 HG LEU 102 HG LEU 102 9.552 -12.939 8.711 807 HD11 LEU 102 1HD1 LEU 102 11.096 -12.612 6.829 808 HD12 LEU 102 2HD1 LEU 102 9.826 -13.085 5.693 809 HD13 LEU 102 3HD1 LEU 102 10.455 -14.254 6.858 810 HD21 LEU 102 3HD2 LEU 102 9.752 -10.711 7.699 811 HD22 LEU 102 1HD2 LEU 102 8.129 -10.970 8.336 812 HD23 LEU 102 2HD2 LEU 102 8.420 -11.075 6.596 813 H GLU 103 H GLU 103 7.547 -15.762 9.777 814 HA GLU 103 HA GLU 103 7.875 -14.874 12.474 815 HB2 GLU 103 2HB GLU 103 7.400 -17.228 11.913 816 HB3 GLU 103 3HB GLU 103 8.933 -17.349 11.056 817 HG2 GLU 103 2HG GLU 103 10.132 -16.949 13.226 818 HG3 GLU 103 3HG GLU 103 8.570 -16.960 14.053 819 H GLY 104 H GLY 104 9.203 -13.055 12.410 820 HA2 GLY 104 2HA GLY 104 11.974 -13.224 11.390 821 HA3 GLY 104 3HA GLY 104 11.125 -11.777 11.937 822 H VAL 105 H VAL 105 12.147 -14.932 13.180 823 HA VAL 105 HA VAL 105 11.940 -14.437 15.893 824 HB VAL 105 HB VAL 105 12.129 -16.702 15.086 825 HG11 VAL 105 1HG1 VAL 105 14.198 -17.650 14.125 826 HG12 VAL 105 2HG1 VAL 105 14.946 -16.051 14.172 827 HG13 VAL 105 3HG1 VAL 105 13.550 -16.340 13.130 828 HG21 VAL 105 3HG2 VAL 105 13.808 -17.673 16.609 829 HG22 VAL 105 1HG2 VAL 105 12.950 -16.340 17.389 830 HG23 VAL 105 2HG2 VAL 105 14.588 -16.098 16.773 831 H ASP 106 H ASP 106 13.039 -13.234 17.285 832 HA ASP 106 HA ASP 106 15.758 -12.276 16.651 833 HB2 ASP 106 2HB ASP 106 15.272 -10.208 17.837 834 HB3 ASP 106 3HB ASP 106 14.079 -10.462 16.578 Start of MODEL 5 1 H1 MET 1 1H MET 1 -8.396 17.538 8.016 2 H2 MET 1 2H MET 1 -9.259 16.171 8.505 3 H3 MET 1 3H MET 1 -8.028 16.025 7.356 4 HA MET 1 HA MET 1 -7.724 16.760 10.206 5 HB2 MET 1 2HB MET 1 -6.727 14.317 8.676 6 HB3 MET 1 3HB MET 1 -6.468 14.631 10.389 7 HG2 MET 1 2HG MET 1 -8.899 14.485 10.775 8 HG3 MET 1 3HG MET 1 -9.144 14.145 9.060 9 HE1 MET 1 3HE MET 1 -10.288 12.292 11.399 10 HE2 MET 1 1HE MET 1 -9.890 10.687 10.786 11 HE3 MET 1 2HE MET 1 -10.516 11.916 9.688 12 H HIS 2 H HIS 2 -6.312 16.668 6.997 13 HA HIS 2 HA HIS 2 -3.666 17.511 7.881 14 HB2 HIS 2 2HB HIS 2 -3.898 15.930 5.955 15 HB3 HIS 2 3HB HIS 2 -4.774 17.162 5.051 16 HD1 HIS 2 HD1 HIS 2 -1.376 17.010 6.815 17 HD2 HIS 2 HD2 HIS 2 -3.083 18.313 3.256 18 HE1 HIS 2 HE1 HIS 2 0.517 17.923 5.458 19 HE2 HIS 2 HE2 HIS 2 -0.519 18.533 3.252 20 H HIS 3 H HIS 3 -4.515 19.366 8.970 21 HA HIS 3 HA HIS 3 -5.769 21.570 7.651 22 HB2 HIS 3 2HB HIS 3 -4.229 21.591 10.283 23 HB3 HIS 3 3HB HIS 3 -5.397 22.799 9.742 24 HD1 HIS 3 HD1 HIS 3 -5.126 19.731 11.673 25 HD2 HIS 3 HD2 HIS 3 -8.144 21.675 9.574 26 HE1 HIS 3 HE1 HIS 3 -7.268 18.725 12.488 27 HE2 HIS 3 HE2 HIS 3 -9.070 20.025 11.334 28 H HIS 4 H HIS 4 -2.471 20.569 8.131 29 HA HIS 4 HA HIS 4 -1.276 23.042 7.180 30 HB2 HIS 4 2HB HIS 4 -0.075 20.289 7.747 31 HB3 HIS 4 3HB HIS 4 0.867 21.702 7.273 32 HD1 HIS 4 HD1 HIS 4 0.747 19.972 10.116 33 HD2 HIS 4 HD2 HIS 4 -0.477 23.880 9.378 34 HE1 HIS 4 HE1 HIS 4 0.825 21.147 12.338 35 HE2 HIS 4 HE2 HIS 4 0.155 23.510 11.851 36 H HIS 5 H HIS 5 -2.959 22.671 5.299 37 HA HIS 5 HA HIS 5 -2.319 20.817 3.221 38 HB2 HIS 5 2HB HIS 5 -4.008 22.108 1.890 39 HB3 HIS 5 3HB HIS 5 -4.611 21.624 3.469 40 HD1 HIS 5 HD1 HIS 5 -4.699 23.581 5.316 41 HD2 HIS 5 HD2 HIS 5 -4.210 24.816 1.377 42 HE1 HIS 5 HE1 HIS 5 -5.169 26.040 5.322 43 HE2 HIS 5 HE2 HIS 5 -4.663 26.795 2.983 44 H HIS 6 H HIS 6 -0.734 20.971 1.780 45 HA HIS 6 HA HIS 6 0.630 23.571 1.279 46 HB2 HIS 6 2HB HIS 6 1.851 20.768 1.348 47 HB3 HIS 6 3HB HIS 6 2.728 22.257 0.996 48 HD1 HIS 6 HD1 HIS 6 2.679 20.020 3.578 49 HD2 HIS 6 HD2 HIS 6 1.952 24.109 3.516 50 HE1 HIS 6 HE1 HIS 6 3.075 20.814 5.929 51 HE2 HIS 6 HE2 HIS 6 2.833 23.309 5.801 52 H HIS 7 H HIS 7 0.451 24.232 -0.774 53 HA HIS 7 HA HIS 7 -0.594 22.623 -2.894 54 HB2 HIS 7 2HB HIS 7 0.694 25.385 -2.892 55 HB3 HIS 7 3HB HIS 7 0.102 24.616 -4.363 56 HD1 HIS 7 HD1 HIS 7 -2.370 24.724 -4.826 57 HD2 HIS 7 HD2 HIS 7 -1.405 26.032 -0.999 58 HE1 HIS 7 HE1 HIS 7 -4.468 25.751 -3.913 59 HE2 HIS 7 HE2 HIS 7 -3.847 26.588 -1.628 60 H ARG 8 H ARG 8 0.466 22.125 -4.912 61 HA ARG 8 HA ARG 8 1.930 20.846 -6.061 62 HB2 ARG 8 2HB ARG 8 4.114 22.303 -4.510 63 HB3 ARG 8 3HB ARG 8 4.330 21.399 -6.004 64 HG2 ARG 8 2HG ARG 8 3.116 23.043 -7.281 65 HG3 ARG 8 3HG ARG 8 2.579 23.873 -5.817 66 HD2 ARG 8 2HD ARG 8 5.419 23.712 -6.878 67 HD3 ARG 8 3HD ARG 8 4.383 25.140 -6.824 68 HE ARG 8 HE ARG 8 5.715 23.839 -4.544 69 HH11 ARG 8 1HH1 ARG 8 3.766 26.537 -5.711 70 HH12 ARG 8 2HH1 ARG 8 3.996 27.471 -4.271 71 HH21 ARG 8 1HH2 ARG 8 5.983 25.085 -2.661 72 HH22 ARG 8 2HH2 ARG 8 5.245 26.650 -2.556 73 H SER 9 H SER 9 0.697 19.530 -4.233 74 HA SER 9 HA SER 9 2.146 18.341 -2.116 75 HB2 SER 9 2HB SER 9 -0.326 17.311 -3.575 76 HB3 SER 9 3HB SER 9 0.248 16.740 -2.002 77 HG SER 9 HG SER 9 0.039 19.406 -1.941 78 H GLY 10 H GLY 10 1.857 17.558 -5.522 79 HA2 GLY 10 2HA GLY 10 3.308 16.298 -6.810 80 HA3 GLY 10 3HA GLY 10 4.093 15.701 -5.359 81 H ASP 11 H ASP 11 3.504 14.063 -7.547 82 HA ASP 11 HA ASP 11 1.069 12.585 -7.188 83 HB2 ASP 11 2HB ASP 11 1.976 11.006 -8.851 84 HB3 ASP 11 3HB ASP 11 2.187 12.662 -9.396 85 H ILE 12 H ILE 12 0.883 10.430 -6.473 86 HA ILE 12 HA ILE 12 2.788 9.614 -4.370 87 HB ILE 12 HB ILE 12 -0.163 8.858 -4.675 88 HG12 ILE 12 2HG1 ILE 12 1.108 10.845 -2.729 89 HG13 ILE 12 3HG1 ILE 12 0.111 11.272 -4.108 90 HG21 ILE 12 1HG2 ILE 12 0.058 7.928 -2.395 91 HG22 ILE 12 2HG2 ILE 12 1.773 8.334 -2.392 92 HG23 ILE 12 3HG2 ILE 12 1.154 7.127 -3.522 93 HD11 ILE 12 3HD1 ILE 12 -0.810 9.752 -1.681 94 HD12 ILE 12 1HD1 ILE 12 -1.800 10.155 -3.088 95 HD13 ILE 12 2HD1 ILE 12 -1.145 11.438 -2.073 96 H GLN 13 H GLN 13 4.071 7.970 -4.980 97 HA GLN 13 HA GLN 13 3.432 6.063 -7.061 98 HB2 GLN 13 2HB GLN 13 5.794 6.435 -5.196 99 HB3 GLN 13 3HB GLN 13 5.651 4.972 -6.156 100 HG2 GLN 13 2HG GLN 13 5.602 7.705 -7.436 101 HG3 GLN 13 3HG GLN 13 7.110 6.874 -7.067 102 HE21 GLN 13 1HE2 GLN 13 7.664 6.795 -9.266 103 HE22 GLN 13 2HE2 GLN 13 6.892 5.706 -10.361 104 H VAL 14 H VAL 14 2.995 3.946 -6.823 105 HA VAL 14 HA VAL 14 2.657 2.731 -4.150 106 HB VAL 14 HB VAL 14 0.898 2.166 -6.602 107 HG11 VAL 14 1HG1 VAL 14 1.152 0.245 -5.108 108 HG12 VAL 14 2HG1 VAL 14 -0.499 0.863 -5.049 109 HG13 VAL 14 3HG1 VAL 14 0.624 1.217 -3.732 110 HG21 VAL 14 3HG2 VAL 14 -0.954 3.321 -5.455 111 HG22 VAL 14 1HG2 VAL 14 0.388 4.424 -5.773 112 HG23 VAL 14 2HG2 VAL 14 0.135 3.789 -4.146 113 H GLN 15 H GLN 15 4.386 1.332 -4.100 114 HA GLN 15 HA GLN 15 5.169 -0.126 -6.580 115 HB2 GLN 15 2HB GLN 15 6.873 0.574 -4.131 116 HB3 GLN 15 3HB GLN 15 7.443 -0.223 -5.595 117 HG2 GLN 15 2HG GLN 15 7.122 1.791 -6.901 118 HG3 GLN 15 3HG GLN 15 6.328 2.599 -5.551 119 HE21 GLN 15 1HE2 GLN 15 8.729 3.384 -7.085 120 HE22 GLN 15 2HE2 GLN 15 9.985 3.580 -5.914 121 H ASN 16 H ASN 16 4.129 -2.078 -6.400 122 HA ASN 16 HA ASN 16 4.181 -3.522 -3.821 123 HB2 ASN 16 2HB ASN 16 1.915 -3.258 -4.794 124 HB3 ASN 16 3HB ASN 16 2.439 -4.064 -6.270 125 HD21 ASN 16 1HD2 ASN 16 1.635 -4.510 -2.902 126 HD22 ASN 16 2HD2 ASN 16 1.556 -6.231 -2.935 127 H ASN 17 H ASN 17 5.720 -4.957 -3.637 128 HA ASN 17 HA ASN 17 6.726 -6.461 -5.974 129 HB2 ASN 17 2HB ASN 17 8.274 -5.704 -3.454 130 HB3 ASN 17 3HB ASN 17 8.922 -6.505 -4.882 131 HD21 ASN 17 1HD2 ASN 17 7.546 -4.740 -6.814 132 HD22 ASN 17 2HD2 ASN 17 8.348 -3.218 -6.706 133 H ASN 18 H ASN 18 5.743 -8.386 -5.819 134 HA ASN 18 HA ASN 18 5.674 -9.817 -3.237 135 HB2 ASN 18 2HB ASN 18 4.157 -11.457 -4.509 136 HB3 ASN 18 3HB ASN 18 3.486 -9.867 -4.188 137 HD21 ASN 18 1HD2 ASN 18 3.090 -8.469 -5.900 138 HD22 ASN 18 2HD2 ASN 18 3.104 -8.989 -7.546 139 H THR 19 H THR 19 7.183 -11.298 -2.863 140 HA THR 19 HA THR 19 8.945 -12.209 -5.068 141 HB THR 19 HB THR 19 9.748 -11.559 -2.195 142 HG1 THR 19 HG1 THR 19 9.480 -9.972 -4.424 143 HG21 THR 19 3HG2 THR 19 12.075 -11.714 -3.042 144 HG22 THR 19 1HG2 THR 19 11.463 -12.206 -4.622 145 HG23 THR 19 2HG2 THR 19 11.226 -13.251 -3.221 146 H CYS 20 H CYS 20 8.914 -14.345 -5.337 147 HA CYS 20 HA CYS 20 9.110 -16.328 -3.334 148 HB2 CYS 20 2HB CYS 20 6.784 -17.388 -3.844 149 HB3 CYS 20 3HB CYS 20 6.815 -15.998 -2.762 150 H ASN 21 H ASN 21 9.170 -18.482 -4.244 151 HA ASN 21 HA ASN 21 10.463 -18.671 -6.743 152 HB2 ASN 21 2HB ASN 21 9.326 -20.812 -4.888 153 HB3 ASN 21 3HB ASN 21 10.167 -21.215 -6.388 154 HD21 ASN 21 1HD2 ASN 21 11.733 -22.333 -5.097 155 HD22 ASN 21 2HD2 ASN 21 12.956 -21.462 -4.246 156 H GLY 22 H GLY 22 9.344 -18.023 -8.471 157 HA2 GLY 22 2HA GLY 22 7.706 -19.558 -10.014 158 HA3 GLY 22 3HA GLY 22 6.573 -18.675 -8.983 159 H LYS 23 H LYS 23 5.721 -17.090 -10.210 160 HA LYS 23 HA LYS 23 7.477 -15.395 -11.898 161 HB2 LYS 23 2HB LYS 23 4.451 -15.792 -11.961 162 HB3 LYS 23 3HB LYS 23 5.341 -14.689 -13.006 163 HG2 LYS 23 2HG LYS 23 6.516 -16.578 -14.052 164 HG3 LYS 23 3HG LYS 23 5.712 -17.699 -12.952 165 HD2 LYS 23 2HD LYS 23 4.669 -17.714 -15.185 166 HD3 LYS 23 3HD LYS 23 3.539 -17.179 -13.942 167 HE2 LYS 23 2HE LYS 23 3.356 -15.853 -16.027 168 HE3 LYS 23 3HE LYS 23 3.815 -14.854 -14.651 169 HZ1 LYS 23 3HZ LYS 23 5.079 -14.356 -16.690 170 HZ2 LYS 23 1HZ LYS 23 5.713 -15.923 -16.673 171 HZ3 LYS 23 2HZ LYS 23 6.082 -14.848 -15.422 172 H THR 24 H THR 24 8.151 -13.650 -10.722 173 HA THR 24 HA THR 24 6.501 -12.452 -8.649 174 HB THR 24 HB THR 24 8.430 -10.870 -8.355 175 HG1 THR 24 HG1 THR 24 9.052 -11.505 -10.795 176 HG21 THR 24 3HG2 THR 24 9.288 -13.792 -8.433 177 HG22 THR 24 1HG2 THR 24 8.432 -13.010 -7.102 178 HG23 THR 24 2HG2 THR 24 10.073 -12.511 -7.509 179 H PHE 25 H PHE 25 4.716 -11.555 -9.643 180 HA PHE 25 HA PHE 25 4.863 -9.775 -11.903 181 HB2 PHE 25 2HB PHE 25 2.647 -10.590 -10.002 182 HB3 PHE 25 3HB PHE 25 2.412 -9.247 -11.107 183 HD1 PHE 25 HD2 PHE 25 3.493 -12.856 -11.154 184 HD2 PHE 25 HD1 PHE 25 1.465 -9.688 -13.184 185 HE1 PHE 25 HE2 PHE 25 2.760 -14.430 -12.892 186 HE2 PHE 25 HE1 PHE 25 0.733 -11.269 -14.913 187 HZ PHE 25 HZ PHE 25 1.379 -13.642 -14.772 188 H ASP 26 H ASP 26 6.286 -8.138 -11.360 189 HA ASP 26 HA ASP 26 6.084 -6.448 -9.077 190 HB2 ASP 26 2HB ASP 26 8.167 -6.531 -10.301 191 HB3 ASP 26 3HB ASP 26 7.382 -6.068 -11.806 192 H TYR 27 H TYR 27 4.439 -5.137 -8.653 193 HA TYR 27 HA TYR 27 2.861 -3.914 -10.837 194 HB2 TYR 27 2HB TYR 27 2.129 -4.209 -7.883 195 HB3 TYR 27 3HB TYR 27 1.090 -3.561 -9.149 196 HD1 TYR 27 HD1 TYR 27 0.796 -5.278 -11.255 197 HD2 TYR 27 HD2 TYR 27 1.698 -6.430 -7.239 198 HE1 TYR 27 HE1 TYR 27 -0.092 -7.531 -11.694 199 HE2 TYR 27 HE2 TYR 27 0.801 -8.679 -7.671 200 HH TYR 27 HH TYR 27 -0.704 -9.817 -9.224 201 H THR 28 H THR 28 2.998 -1.763 -11.131 202 HA THR 28 HA THR 28 3.769 0.014 -8.912 203 HB THR 28 HB THR 28 4.983 0.235 -11.713 204 HG1 THR 28 HG1 THR 28 5.785 -1.246 -9.704 205 HG21 THR 28 3HG2 THR 28 5.424 1.972 -9.244 206 HG22 THR 28 1HG2 THR 28 4.607 2.479 -10.725 207 HG23 THR 28 2HG2 THR 28 6.332 2.101 -10.751 208 H TYR 29 H TYR 29 2.321 1.585 -8.711 209 HA TYR 29 HA TYR 29 0.697 2.509 -11.014 210 HB2 TYR 29 2HB TYR 29 -0.217 2.344 -8.092 211 HB3 TYR 29 3HB TYR 29 -1.192 2.841 -9.471 212 HD1 TYR 29 HD1 TYR 29 -1.720 1.069 -11.284 213 HD2 TYR 29 HD2 TYR 29 -0.142 0.043 -7.442 214 HE1 TYR 29 HE1 TYR 29 -2.505 -1.247 -11.574 215 HE2 TYR 29 HE2 TYR 29 -0.926 -2.274 -7.735 216 HH TYR 29 HH TYR 29 -2.704 -3.468 -9.044 217 H THR 30 H THR 30 0.360 4.782 -11.074 218 HA THR 30 HA THR 30 1.599 6.430 -8.942 219 HB THR 30 HB THR 30 1.724 7.073 -11.936 220 HG1 THR 30 HG1 THR 30 3.466 5.732 -10.217 221 HG21 THR 30 3HG2 THR 30 3.230 8.902 -11.228 222 HG22 THR 30 1HG2 THR 30 2.981 8.470 -9.535 223 HG23 THR 30 2HG2 THR 30 1.636 9.092 -10.499 224 H VAL 31 H VAL 31 -0.150 7.269 -7.966 225 HA VAL 31 HA VAL 31 -2.465 8.228 -9.561 226 HB VAL 31 HB VAL 31 -3.758 8.182 -7.461 227 HG11 VAL 31 1HG1 VAL 31 -3.842 5.730 -7.101 228 HG12 VAL 31 2HG1 VAL 31 -2.304 5.550 -7.952 229 HG13 VAL 31 3HG1 VAL 31 -3.728 6.137 -8.815 230 HG21 VAL 31 3HG2 VAL 31 -2.808 7.237 -5.368 231 HG22 VAL 31 1HG2 VAL 31 -1.992 8.723 -5.846 232 HG23 VAL 31 2HG2 VAL 31 -1.218 7.163 -6.123 233 H THR 32 H THR 32 -3.414 10.308 -8.947 234 HA THR 32 HA THR 32 -1.530 12.213 -7.644 235 HB THR 32 HB THR 32 -2.008 12.756 -10.033 236 HG1 THR 32 HG1 THR 32 -2.515 14.452 -7.913 237 HG21 THR 32 3HG2 THR 32 -4.223 13.611 -10.719 238 HG22 THR 32 1HG2 THR 32 -4.894 13.156 -9.149 239 HG23 THR 32 2HG2 THR 32 -4.314 11.911 -10.257 240 H THR 33 H THR 33 -4.441 10.555 -7.315 241 HA THR 33 HA THR 33 -5.486 12.380 -5.227 242 HB THR 33 HB THR 33 -7.098 10.669 -7.173 243 HG1 THR 33 HG1 THR 33 -6.198 12.467 -8.218 244 HG21 THR 33 3HG2 THR 33 -8.062 12.717 -5.143 245 HG22 THR 33 1HG2 THR 33 -8.269 10.967 -5.017 246 HG23 THR 33 2HG2 THR 33 -9.072 11.862 -6.309 247 H GLU 34 H GLU 34 -6.260 11.398 -3.372 248 HA GLU 34 HA GLU 34 -5.133 8.944 -2.507 249 HB2 GLU 34 2HB GLU 34 -7.412 10.516 -1.223 250 HB3 GLU 34 3HB GLU 34 -6.380 9.331 -0.423 251 HG2 GLU 34 2HG GLU 34 -4.426 10.823 -0.741 252 HG3 GLU 34 3HG GLU 34 -5.466 11.992 -1.549 253 H SER 35 H SER 35 -8.362 9.875 -3.571 254 HA SER 35 HA SER 35 -9.818 7.581 -2.990 255 HB2 SER 35 2HB SER 35 -10.203 9.459 -5.361 256 HB3 SER 35 3HB SER 35 -11.424 8.375 -4.688 257 HG SER 35 HG SER 35 -10.736 10.862 -3.898 258 H GLU 36 H GLU 36 -7.950 8.396 -5.921 259 HA GLU 36 HA GLU 36 -8.511 6.138 -7.494 260 HB2 GLU 36 2HB GLU 36 -5.945 7.782 -7.425 261 HB3 GLU 36 3HB GLU 36 -6.410 6.678 -8.711 262 HG2 GLU 36 2HG GLU 36 -8.347 8.117 -9.248 263 HG3 GLU 36 3HG GLU 36 -7.866 9.231 -7.967 264 H LEU 37 H LEU 37 -6.127 6.689 -4.955 265 HA LEU 37 HA LEU 37 -4.568 4.359 -5.404 266 HB2 LEU 37 2HB LEU 37 -3.823 6.440 -4.224 267 HB3 LEU 37 3HB LEU 37 -4.789 5.980 -2.842 268 HG LEU 37 HG LEU 37 -2.718 4.006 -3.831 269 HD11 LEU 37 1HD1 LEU 37 -1.962 6.437 -2.188 270 HD12 LEU 37 2HD1 LEU 37 -1.452 6.081 -3.840 271 HD13 LEU 37 3HD1 LEU 37 -0.931 5.040 -2.521 272 HD21 LEU 37 3HD2 LEU 37 -3.604 4.754 -1.028 273 HD22 LEU 37 1HD2 LEU 37 -2.510 3.441 -1.470 274 HD23 LEU 37 2HD2 LEU 37 -4.195 3.378 -1.966 275 H GLN 38 H GLN 38 -7.358 5.055 -3.344 276 HA GLN 38 HA GLN 38 -7.519 2.648 -1.900 277 HB2 GLN 38 2HB GLN 38 -9.830 4.334 -2.943 278 HB3 GLN 38 3HB GLN 38 -9.916 3.167 -1.630 279 HG2 GLN 38 2HG GLN 38 -8.497 4.554 -0.232 280 HG3 GLN 38 3HG GLN 38 -8.239 5.689 -1.558 281 HE21 GLN 38 1HE2 GLN 38 -9.407 6.152 1.105 282 HE22 GLN 38 2HE2 GLN 38 -10.977 6.812 0.821 283 H LYS 39 H LYS 39 -8.535 3.477 -5.178 284 HA LYS 39 HA LYS 39 -9.942 1.050 -5.740 285 HB2 LYS 39 2HB LYS 39 -8.977 3.373 -7.409 286 HB3 LYS 39 3HB LYS 39 -9.411 1.887 -8.235 287 HG2 LYS 39 2HG LYS 39 -11.277 3.358 -8.343 288 HG3 LYS 39 3HG LYS 39 -11.703 2.053 -7.247 289 HD2 LYS 39 2HD LYS 39 -10.626 4.631 -6.101 290 HD3 LYS 39 3HD LYS 39 -12.286 4.592 -6.681 291 HE2 LYS 39 2HE LYS 39 -12.864 2.849 -5.103 292 HE3 LYS 39 3HE LYS 39 -11.178 2.673 -4.606 293 HZ1 LYS 39 3HZ LYS 39 -12.990 4.974 -4.102 294 HZ2 LYS 39 1HZ LYS 39 -11.316 5.045 -3.846 295 HZ3 LYS 39 2HZ LYS 39 -12.260 3.956 -2.967 296 H VAL 40 H VAL 40 -6.613 2.223 -6.545 297 HA VAL 40 HA VAL 40 -5.896 -0.092 -8.024 298 HB VAL 40 HB VAL 40 -3.594 0.645 -8.021 299 HG11 VAL 40 1HG1 VAL 40 -3.795 2.914 -8.939 300 HG12 VAL 40 2HG1 VAL 40 -5.402 3.075 -8.223 301 HG13 VAL 40 3HG1 VAL 40 -5.116 1.880 -9.489 302 HG21 VAL 40 3HG2 VAL 40 -4.281 2.609 -5.821 303 HG22 VAL 40 1HG2 VAL 40 -2.750 2.557 -6.700 304 HG23 VAL 40 2HG2 VAL 40 -3.236 1.196 -5.687 305 H LEU 41 H LEU 41 -5.835 0.596 -4.581 306 HA LEU 41 HA LEU 41 -4.346 -1.767 -3.848 307 HB2 LEU 41 2HB LEU 41 -5.514 0.572 -2.433 308 HB3 LEU 41 3HB LEU 41 -5.635 -0.917 -1.515 309 HG LEU 41 HG LEU 41 -3.618 0.288 -0.877 310 HD11 LEU 41 1HD1 LEU 41 -1.920 -1.502 -1.274 311 HD12 LEU 41 2HD1 LEU 41 -3.025 -2.260 -2.419 312 HD13 LEU 41 3HD1 LEU 41 -3.476 -2.106 -0.718 313 HD21 LEU 41 3HD2 LEU 41 -1.756 0.726 -2.394 314 HD22 LEU 41 1HD2 LEU 41 -3.210 1.547 -2.958 315 HD23 LEU 41 2HD2 LEU 41 -2.672 0.069 -3.756 316 H ASN 42 H ASN 42 -7.761 -0.882 -4.079 317 HA ASN 42 HA ASN 42 -8.956 -3.037 -2.736 318 HB2 ASN 42 2HB ASN 42 -10.254 -1.047 -3.461 319 HB3 ASN 42 3HB ASN 42 -10.021 -1.486 -5.147 320 HD21 ASN 42 1HD2 ASN 42 -12.194 -1.665 -5.610 321 HD22 ASN 42 2HD2 ASN 42 -13.213 -2.903 -4.974 322 H GLU 43 H GLU 43 -7.962 -2.678 -6.119 323 HA GLU 43 HA GLU 43 -8.742 -5.363 -6.865 324 HB2 GLU 43 2HB GLU 43 -7.845 -4.812 -9.077 325 HB3 GLU 43 3HB GLU 43 -8.927 -3.549 -8.505 326 HG2 GLU 43 2HG GLU 43 -7.008 -2.120 -7.940 327 HG3 GLU 43 3HG GLU 43 -5.895 -3.398 -8.427 328 H LEU 44 H LEU 44 -5.730 -3.663 -6.011 329 HA LEU 44 HA LEU 44 -3.777 -5.458 -6.872 330 HB2 LEU 44 2HB LEU 44 -3.365 -3.179 -5.896 331 HB3 LEU 44 3HB LEU 44 -3.710 -3.820 -4.305 332 HG LEU 44 HG LEU 44 -1.693 -5.263 -4.448 333 HD11 LEU 44 1HD1 LEU 44 -1.625 -5.654 -6.849 334 HD12 LEU 44 2HD1 LEU 44 -0.086 -5.015 -6.284 335 HD13 LEU 44 3HD1 LEU 44 -1.212 -3.963 -7.144 336 HD21 LEU 44 3HD2 LEU 44 -1.099 -2.338 -5.036 337 HD22 LEU 44 1HD2 LEU 44 -0.009 -3.486 -4.249 338 HD23 LEU 44 2HD2 LEU 44 -1.509 -3.012 -3.457 339 H LYS 45 H LYS 45 -5.703 -5.434 -3.980 340 HA LYS 45 HA LYS 45 -4.746 -7.475 -2.417 341 HB2 LYS 45 2HB LYS 45 -6.570 -5.844 -1.912 342 HB3 LYS 45 3HB LYS 45 -7.643 -6.729 -2.989 343 HG2 LYS 45 2HG LYS 45 -7.568 -8.673 -1.484 344 HG3 LYS 45 3HG LYS 45 -6.416 -7.830 -0.442 345 HD2 LYS 45 2HD LYS 45 -8.719 -7.731 0.467 346 HD3 LYS 45 3HD LYS 45 -8.087 -6.125 0.101 347 HE2 LYS 45 2HE LYS 45 -10.431 -6.311 -0.595 348 HE3 LYS 45 3HE LYS 45 -9.398 -6.106 -2.010 349 HZ1 LYS 45 3HZ LYS 45 -10.497 -8.687 -1.027 350 HZ2 LYS 45 1HZ LYS 45 -9.548 -8.484 -2.412 351 HZ3 LYS 45 2HZ LYS 45 -11.098 -7.807 -2.340 352 H ASP 46 H ASP 46 -6.985 -7.726 -5.187 353 HA ASP 46 HA ASP 46 -7.460 -10.524 -5.138 354 HB2 ASP 46 2HB ASP 46 -8.903 -8.895 -6.359 355 HB3 ASP 46 3HB ASP 46 -7.608 -8.588 -7.501 356 H TYR 47 H TYR 47 -5.095 -8.497 -6.848 357 HA TYR 47 HA TYR 47 -3.960 -10.457 -8.524 358 HB2 TYR 47 2HB TYR 47 -2.798 -7.878 -7.401 359 HB3 TYR 47 3HB TYR 47 -1.925 -8.888 -8.540 360 HD1 TYR 47 HD2 TYR 47 -4.753 -6.579 -8.131 361 HD2 TYR 47 HD1 TYR 47 -2.579 -8.952 -10.932 362 HE1 TYR 47 HE2 TYR 47 -5.774 -5.329 -9.969 363 HE2 TYR 47 HE1 TYR 47 -3.614 -7.692 -12.786 364 HH TYR 47 HH TYR 47 -5.316 -4.770 -12.303 365 H ILE 48 H ILE 48 -2.926 -9.307 -5.294 366 HA ILE 48 HA ILE 48 -0.555 -10.880 -5.087 367 HB ILE 48 HB ILE 48 -2.218 -9.673 -2.828 368 HG12 ILE 48 2HG1 ILE 48 0.183 -8.369 -4.187 369 HG13 ILE 48 3HG1 ILE 48 -1.485 -7.990 -4.593 370 HG21 ILE 48 1HG2 ILE 48 -0.124 -9.691 -1.508 371 HG22 ILE 48 2HG2 ILE 48 0.710 -10.480 -2.846 372 HG23 ILE 48 3HG2 ILE 48 -0.589 -11.322 -2.000 373 HD11 ILE 48 3HD1 ILE 48 -0.552 -6.332 -3.095 374 HD12 ILE 48 1HD1 ILE 48 -0.205 -7.575 -1.891 375 HD13 ILE 48 2HD1 ILE 48 -1.877 -7.197 -2.318 376 H LYS 49 H LYS 49 -3.898 -11.315 -4.013 377 HA LYS 49 HA LYS 49 -3.749 -13.755 -2.612 378 HB2 LYS 49 2HB LYS 49 -5.739 -12.325 -2.583 379 HB3 LYS 49 3HB LYS 49 -5.959 -12.537 -4.310 380 HG2 LYS 49 2HG LYS 49 -6.365 -15.015 -3.842 381 HG3 LYS 49 3HG LYS 49 -6.389 -14.598 -2.126 382 HD2 LYS 49 2HD LYS 49 -8.682 -14.711 -3.072 383 HD3 LYS 49 3HD LYS 49 -8.301 -13.091 -2.486 384 HE2 LYS 49 2HE LYS 49 -7.775 -12.404 -4.827 385 HE3 LYS 49 3HE LYS 49 -8.259 -14.008 -5.384 386 HZ1 LYS 49 3HZ LYS 49 -10.031 -12.361 -5.633 387 HZ2 LYS 49 1HZ LYS 49 -10.030 -12.089 -3.965 388 HZ3 LYS 49 2HZ LYS 49 -10.486 -13.597 -4.574 389 H LYS 50 H LYS 50 -4.216 -13.018 -6.027 390 HA LYS 50 HA LYS 50 -4.672 -15.632 -7.035 391 HB2 LYS 50 2HB LYS 50 -5.198 -13.332 -8.084 392 HB3 LYS 50 3HB LYS 50 -3.508 -13.270 -8.567 393 HG2 LYS 50 2HG LYS 50 -3.900 -15.437 -9.830 394 HG3 LYS 50 3HG LYS 50 -5.622 -15.252 -9.482 395 HD2 LYS 50 2HD LYS 50 -3.847 -13.424 -11.132 396 HD3 LYS 50 3HD LYS 50 -5.228 -14.367 -11.690 397 HE2 LYS 50 2HE LYS 50 -5.335 -11.962 -9.833 398 HE3 LYS 50 3HE LYS 50 -5.807 -11.994 -11.528 399 HZ1 LYS 50 3HZ LYS 50 -7.759 -12.142 -10.229 400 HZ2 LYS 50 1HZ LYS 50 -7.135 -13.398 -9.283 401 HZ3 LYS 50 2HZ LYS 50 -7.510 -13.672 -10.905 402 H GLN 51 H GLN 51 -1.796 -13.647 -6.591 403 HA GLN 51 HA GLN 51 0.155 -15.360 -7.712 404 HB2 GLN 51 2HB GLN 51 0.361 -13.297 -5.470 405 HB3 GLN 51 3HB GLN 51 1.748 -14.099 -6.190 406 HG2 GLN 51 2HG GLN 51 -0.175 -12.291 -7.676 407 HG3 GLN 51 3HG GLN 51 1.408 -11.820 -7.057 408 HE21 GLN 51 1HE2 GLN 51 3.273 -12.677 -8.048 409 HE22 GLN 51 2HE2 GLN 51 3.229 -13.368 -9.627 410 H GLY 52 H GLY 52 -1.356 -15.132 -4.516 411 HA2 GLY 52 2HA GLY 52 -1.226 -16.365 -2.589 412 HA3 GLY 52 3HA GLY 52 -0.736 -17.720 -3.596 413 H CYS 53 H CYS 53 0.936 -14.636 -3.267 414 HA CYS 53 HA CYS 53 3.457 -16.034 -3.147 415 HB2 CYS 53 2HB CYS 53 2.961 -14.004 -4.603 416 HB3 CYS 53 3HB CYS 53 3.025 -13.032 -3.135 417 H LYS 54 H LYS 54 4.888 -16.106 -1.475 418 HA LYS 54 HA LYS 54 3.930 -15.983 1.169 419 HB2 LYS 54 2HB LYS 54 5.669 -17.560 0.425 420 HB3 LYS 54 3HB LYS 54 6.790 -16.228 0.161 421 HG2 LYS 54 2HG LYS 54 6.860 -15.744 2.547 422 HG3 LYS 54 3HG LYS 54 5.611 -16.945 2.871 423 HD2 LYS 54 2HD LYS 54 8.407 -17.526 1.818 424 HD3 LYS 54 3HD LYS 54 7.855 -17.775 3.476 425 HE2 LYS 54 2HE LYS 54 6.868 -19.236 1.005 426 HE3 LYS 54 3HE LYS 54 7.856 -19.902 2.302 427 HZ1 LYS 54 3HZ LYS 54 6.012 -19.544 3.829 428 HZ2 LYS 54 1HZ LYS 54 5.562 -20.555 2.551 429 HZ3 LYS 54 2HZ LYS 54 5.058 -18.941 2.570 430 H ARG 55 H ARG 55 6.311 -13.917 -0.517 431 HA ARG 55 HA ARG 55 6.133 -11.901 1.621 432 HB2 ARG 55 2HB ARG 55 8.406 -12.485 0.867 433 HB3 ARG 55 3HB ARG 55 7.997 -12.043 -0.788 434 HG2 ARG 55 2HG ARG 55 7.709 -9.687 -0.114 435 HG3 ARG 55 3HG ARG 55 8.023 -10.112 1.569 436 HD2 ARG 55 2HD ARG 55 9.993 -10.286 -0.735 437 HD3 ARG 55 3HD ARG 55 10.024 -9.123 0.593 438 HE ARG 55 HE ARG 55 10.872 -11.907 0.648 439 HH11 ARG 55 1HH1 ARG 55 10.096 -9.076 2.617 440 HH12 ARG 55 2HH1 ARG 55 10.955 -9.675 3.996 441 HH21 ARG 55 1HH2 ARG 55 11.949 -12.667 2.484 442 HH22 ARG 55 2HH2 ARG 55 11.996 -11.694 3.918 443 H SER 56 H SER 56 4.844 -10.241 1.397 444 HA SER 56 HA SER 56 4.154 -9.146 -1.257 445 HB2 SER 56 2HB SER 56 1.852 -8.629 -0.266 446 HB3 SER 56 3HB SER 56 2.161 -10.346 -0.546 447 HG SER 56 HG SER 56 2.698 -10.487 1.714 448 H ARG 57 H ARG 57 4.799 -7.044 -1.339 449 HA ARG 57 HA ARG 57 5.007 -5.437 1.140 450 HB2 ARG 57 2HB ARG 57 7.237 -6.426 0.744 451 HB3 ARG 57 3HB ARG 57 7.231 -5.846 -0.918 452 HG2 ARG 57 2HG ARG 57 7.352 -3.532 -0.165 453 HG3 ARG 57 3HG ARG 57 7.192 -4.033 1.522 454 HD2 ARG 57 2HD ARG 57 9.527 -3.498 0.967 455 HD3 ARG 57 3HD ARG 57 9.352 -5.199 1.394 456 HE ARG 57 HE ARG 57 9.614 -4.209 -1.398 457 HH11 ARG 57 1HH1 ARG 57 10.364 -6.620 1.070 458 HH12 ARG 57 2HH1 ARG 57 11.324 -7.586 -0.011 459 HH21 ARG 57 1HH2 ARG 57 10.882 -5.496 -2.792 460 HH22 ARG 57 2HH2 ARG 57 11.613 -6.954 -2.189 461 H THR 58 H THR 58 4.492 -3.273 0.824 462 HA THR 58 HA THR 58 4.423 -2.196 -1.909 463 HB THR 58 HB THR 58 2.084 -1.707 -0.012 464 HG1 THR 58 HG1 THR 58 2.318 -3.958 -0.901 465 HG21 THR 58 3HG2 THR 58 0.966 -0.846 -2.052 466 HG22 THR 58 1HG2 THR 58 2.425 -1.163 -2.995 467 HG23 THR 58 2HG2 THR 58 2.444 0.058 -1.719 468 H SER 59 H SER 59 5.250 -0.191 -2.028 469 HA SER 59 HA SER 59 5.675 1.413 0.431 470 HB2 SER 59 2HB SER 59 7.260 1.466 -2.187 471 HB3 SER 59 3HB SER 59 7.633 2.372 -0.720 472 HG SER 59 HG SER 59 7.978 0.400 0.342 473 H ILE 60 H ILE 60 4.417 3.186 0.528 474 HA ILE 60 HA ILE 60 3.307 4.396 -1.952 475 HB ILE 60 HB ILE 60 2.088 4.202 0.835 476 HG12 ILE 60 2HG1 ILE 60 1.169 3.126 -1.868 477 HG13 ILE 60 3HG1 ILE 60 1.745 2.180 -0.500 478 HG21 ILE 60 1HG2 ILE 60 1.652 6.461 -0.031 479 HG22 ILE 60 2HG2 ILE 60 0.169 5.514 -0.000 480 HG23 ILE 60 3HG2 ILE 60 1.009 5.778 -1.527 481 HD11 ILE 60 3HD1 ILE 60 -0.214 2.858 0.795 482 HD12 ILE 60 1HD1 ILE 60 -0.655 2.047 -0.706 483 HD13 ILE 60 2HD1 ILE 60 -0.798 3.798 -0.582 484 H THR 61 H THR 61 3.687 6.571 -2.277 485 HA THR 61 HA THR 61 5.653 7.935 -0.772 486 HB THR 61 HB THR 61 3.678 9.088 -2.795 487 HG1 THR 61 HG1 THR 61 6.299 7.999 -3.122 488 HG21 THR 61 3HG2 THR 61 4.786 10.865 -1.485 489 HG22 THR 61 1HG2 THR 61 5.380 10.843 -3.148 490 HG23 THR 61 2HG2 THR 61 6.364 10.160 -1.853 491 H ALA 62 H ALA 62 5.513 9.469 0.789 492 HA ALA 62 HA ALA 62 2.928 10.379 1.873 493 HB1 ALA 62 3HB ALA 62 3.683 9.755 4.151 494 HB2 ALA 62 1HB ALA 62 5.124 8.999 3.459 495 HB3 ALA 62 2HB ALA 62 3.528 8.342 3.105 496 H ARG 63 H ARG 63 3.047 12.452 2.632 497 HA ARG 63 HA ARG 63 5.552 13.935 2.220 498 HB2 ARG 63 2HB ARG 63 2.745 15.020 2.710 499 HB3 ARG 63 3HB ARG 63 4.145 15.931 2.157 500 HG2 ARG 63 2HG ARG 63 2.700 13.754 0.622 501 HG3 ARG 63 3HG ARG 63 2.641 15.481 0.287 502 HD2 ARG 63 2HD ARG 63 4.999 15.495 -0.309 503 HD3 ARG 63 3HD ARG 63 5.162 13.801 0.164 504 HE ARG 63 HE ARG 63 3.177 14.164 -1.851 505 HH11 ARG 63 1HH1 ARG 63 6.669 13.924 -1.392 506 HH12 ARG 63 2HH1 ARG 63 6.947 13.369 -3.012 507 HH21 ARG 63 1HH2 ARG 63 3.572 13.431 -3.956 508 HH22 ARG 63 2HH2 ARG 63 5.195 13.091 -4.458 509 H THR 64 H THR 64 2.852 14.038 4.589 510 HA THR 64 HA THR 64 4.785 14.564 6.768 511 HB THR 64 HB THR 64 2.873 15.279 8.116 512 HG1 THR 64 HG1 THR 64 1.044 15.062 6.011 513 HG21 THR 64 3HG2 THR 64 3.853 16.976 6.608 514 HG22 THR 64 1HG2 THR 64 2.122 17.247 6.830 515 HG23 THR 64 2HG2 THR 64 2.716 16.513 5.339 516 H LYS 65 H LYS 65 4.040 13.431 8.932 517 HA LYS 65 HA LYS 65 4.321 10.629 8.401 518 HB2 LYS 65 2HB LYS 65 4.485 10.429 10.929 519 HB3 LYS 65 3HB LYS 65 5.686 11.427 10.137 520 HG2 LYS 65 2HG LYS 65 5.167 12.600 12.091 521 HG3 LYS 65 3HG LYS 65 4.262 13.444 10.836 522 HD2 LYS 65 2HD LYS 65 2.954 13.157 12.923 523 HD3 LYS 65 3HD LYS 65 2.195 12.357 11.545 524 HE2 LYS 65 2HE LYS 65 2.110 10.988 13.620 525 HE3 LYS 65 3HE LYS 65 2.995 10.182 12.326 526 HZ1 LYS 65 3HZ LYS 65 4.224 9.897 14.298 527 HZ2 LYS 65 1HZ LYS 65 4.099 11.529 14.722 528 HZ3 LYS 65 2HZ LYS 65 5.056 11.064 13.411 529 H LYS 66 H LYS 66 1.614 12.650 9.417 530 HA LYS 66 HA LYS 66 -0.125 10.492 10.128 531 HB2 LYS 66 2HB LYS 66 -0.689 13.369 9.326 532 HB3 LYS 66 3HB LYS 66 -1.986 12.235 9.672 533 HG2 LYS 66 2HG LYS 66 0.209 12.980 11.623 534 HG3 LYS 66 3HG LYS 66 -1.404 13.694 11.603 535 HD2 LYS 66 2HD LYS 66 -2.428 11.563 12.158 536 HD3 LYS 66 3HD LYS 66 -0.892 10.720 11.957 537 HE2 LYS 66 2HE LYS 66 0.001 12.092 13.888 538 HE3 LYS 66 3HE LYS 66 -1.647 12.670 14.152 539 HZ1 LYS 66 3HZ LYS 66 -0.803 9.821 14.190 540 HZ2 LYS 66 1HZ LYS 66 -2.362 10.396 14.513 541 HZ3 LYS 66 2HZ LYS 66 -1.088 10.771 15.560 542 H GLU 67 H GLU 67 0.687 12.090 7.094 543 HA GLU 67 HA GLU 67 -1.229 10.761 5.460 544 HB2 GLU 67 2HB GLU 67 1.437 12.065 4.769 545 HB3 GLU 67 3HB GLU 67 0.328 11.421 3.558 546 HG2 GLU 67 2HG GLU 67 -1.420 12.996 4.312 547 HG3 GLU 67 3HG GLU 67 -0.323 13.635 5.532 548 H ALA 68 H ALA 68 2.045 9.981 6.520 549 HA ALA 68 HA ALA 68 2.420 7.593 5.065 550 HB1 ALA 68 3HB ALA 68 3.578 8.352 7.773 551 HB2 ALA 68 1HB ALA 68 4.250 8.792 6.201 552 HB3 ALA 68 2HB ALA 68 4.187 7.098 6.688 553 H GLU 69 H GLU 69 0.828 8.260 8.172 554 HA GLU 69 HA GLU 69 0.520 5.501 8.921 555 HB2 GLU 69 2HB GLU 69 -0.735 8.033 10.051 556 HB3 GLU 69 3HB GLU 69 -0.985 6.428 10.738 557 HG2 GLU 69 2HG GLU 69 1.472 6.231 11.110 558 HG3 GLU 69 3HG GLU 69 1.676 7.868 10.496 559 H LYS 70 H LYS 70 -1.604 7.867 7.283 560 HA LYS 70 HA LYS 70 -3.938 6.204 7.508 561 HB2 LYS 70 2HB LYS 70 -5.076 7.753 6.009 562 HB3 LYS 70 3HB LYS 70 -4.198 8.630 7.252 563 HG2 LYS 70 2HG LYS 70 -2.427 9.175 5.631 564 HG3 LYS 70 3HG LYS 70 -3.300 8.294 4.373 565 HD2 LYS 70 2HD LYS 70 -5.183 9.871 4.536 566 HD3 LYS 70 3HD LYS 70 -4.390 10.718 5.868 567 HE2 LYS 70 2HE LYS 70 -2.542 11.341 4.327 568 HE3 LYS 70 3HE LYS 70 -3.392 10.540 3.006 569 HZ1 LYS 70 3HZ LYS 70 -4.482 12.805 4.578 570 HZ2 LYS 70 1HZ LYS 70 -5.186 12.090 3.217 571 HZ3 LYS 70 2HZ LYS 70 -3.738 12.952 3.070 572 H PHE 71 H PHE 71 -1.506 6.714 4.934 573 HA PHE 71 HA PHE 71 -2.748 4.818 3.150 574 HB2 PHE 71 2HB PHE 71 -0.049 6.186 3.087 575 HB3 PHE 71 3HB PHE 71 -0.500 4.958 1.908 576 HD1 PHE 71 HD1 PHE 71 -2.464 5.378 0.367 577 HD2 PHE 71 HD2 PHE 71 -0.945 8.377 2.894 578 HE1 PHE 71 HE1 PHE 71 -3.567 7.095 -1.010 579 HE2 PHE 71 HE2 PHE 71 -2.006 10.122 1.520 580 HZ PHE 71 HZ PHE 71 -3.324 9.471 -0.448 581 H ALA 72 H ALA 72 -0.372 4.617 5.725 582 HA ALA 72 HA ALA 72 0.546 1.987 5.393 583 HB1 ALA 72 3HB ALA 72 1.382 3.510 7.169 584 HB2 ALA 72 1HB ALA 72 0.905 1.942 7.814 585 HB3 ALA 72 2HB ALA 72 -0.147 3.344 8.027 586 H ALA 73 H ALA 73 -2.367 3.288 6.944 587 HA ALA 73 HA ALA 73 -3.539 0.843 7.747 588 HB1 ALA 73 3HB ALA 73 -4.884 3.507 7.176 589 HB2 ALA 73 1HB ALA 73 -4.185 3.002 8.714 590 HB3 ALA 73 2HB ALA 73 -5.591 2.158 8.068 591 H ILE 74 H ILE 74 -3.968 2.850 4.816 592 HA ILE 74 HA ILE 74 -5.943 1.359 3.483 593 HB ILE 74 HB ILE 74 -3.689 3.125 2.378 594 HG12 ILE 74 2HG1 ILE 74 -6.686 3.689 2.669 595 HG13 ILE 74 3HG1 ILE 74 -5.470 4.186 3.834 596 HG21 ILE 74 1HG2 ILE 74 -6.058 1.959 0.843 597 HG22 ILE 74 2HG2 ILE 74 -4.356 1.573 0.583 598 HG23 ILE 74 3HG2 ILE 74 -4.954 3.193 0.228 599 HD11 ILE 74 3HD1 ILE 74 -4.433 5.642 2.206 600 HD12 ILE 74 1HD1 ILE 74 -6.153 6.006 2.357 601 HD13 ILE 74 2HD1 ILE 74 -5.568 5.101 0.959 602 H LEU 75 H LEU 75 -2.505 0.751 3.854 603 HA LEU 75 HA LEU 75 -2.456 -1.476 2.017 604 HB2 LEU 75 2HB LEU 75 -0.449 -0.498 4.078 605 HB3 LEU 75 3HB LEU 75 -0.161 -1.868 3.014 606 HG LEU 75 HG LEU 75 -0.670 0.982 2.077 607 HD11 LEU 75 1HD1 LEU 75 1.678 1.057 1.397 608 HD12 LEU 75 2HD1 LEU 75 1.949 -0.544 2.094 609 HD13 LEU 75 3HD1 LEU 75 1.528 0.815 3.138 610 HD21 LEU 75 3HD2 LEU 75 -0.043 0.140 -0.147 611 HD22 LEU 75 1HD2 LEU 75 -1.505 -0.615 0.478 612 HD23 LEU 75 2HD2 LEU 75 0.020 -1.501 0.498 613 H ILE 76 H ILE 76 -2.512 -1.155 5.613 614 HA ILE 76 HA ILE 76 -2.335 -3.891 6.270 615 HB ILE 76 HB ILE 76 -3.763 -1.691 7.849 616 HG12 ILE 76 2HG1 ILE 76 -0.899 -2.637 8.326 617 HG13 ILE 76 3HG1 ILE 76 -1.268 -1.302 7.244 618 HG21 ILE 76 1HG2 ILE 76 -3.347 -3.075 9.863 619 HG22 ILE 76 2HG2 ILE 76 -2.674 -4.353 8.850 620 HG23 ILE 76 3HG2 ILE 76 -4.378 -3.917 8.702 621 HD11 ILE 76 3HD1 ILE 76 -1.954 -1.390 10.182 622 HD12 ILE 76 1HD1 ILE 76 -2.260 -0.054 9.067 623 HD13 ILE 76 2HD1 ILE 76 -0.605 -0.522 9.448 624 H LYS 77 H LYS 77 -5.142 -1.905 5.403 625 HA LYS 77 HA LYS 77 -7.201 -3.731 6.134 626 HB2 LYS 77 2HB LYS 77 -7.055 -1.189 4.540 627 HB3 LYS 77 3HB LYS 77 -8.422 -2.228 4.191 628 HG2 LYS 77 2HG LYS 77 -9.301 -0.769 5.761 629 HG3 LYS 77 3HG LYS 77 -8.879 -2.151 6.754 630 HD2 LYS 77 2HD LYS 77 -7.054 0.262 6.483 631 HD3 LYS 77 3HD LYS 77 -8.368 0.219 7.653 632 HE2 LYS 77 2HE LYS 77 -6.036 -1.723 7.564 633 HE3 LYS 77 3HE LYS 77 -6.209 -0.372 8.680 634 HZ1 LYS 77 3HZ LYS 77 -6.855 -2.501 9.656 635 HZ2 LYS 77 1HZ LYS 77 -8.081 -2.665 8.508 636 HZ3 LYS 77 2HZ LYS 77 -8.144 -1.407 9.631 637 H VAL 78 H VAL 78 -5.118 -3.523 3.362 638 HA VAL 78 HA VAL 78 -6.645 -5.346 1.688 639 HB VAL 78 HB VAL 78 -3.998 -3.864 1.412 640 HG11 VAL 78 1HG1 VAL 78 -4.984 -5.945 -0.565 641 HG12 VAL 78 2HG1 VAL 78 -3.510 -6.027 0.399 642 HG13 VAL 78 3HG1 VAL 78 -3.675 -4.797 -0.854 643 HG21 VAL 78 3HG2 VAL 78 -6.044 -2.592 0.996 644 HG22 VAL 78 1HG2 VAL 78 -6.586 -3.790 -0.183 645 HG23 VAL 78 2HG2 VAL 78 -5.161 -2.809 -0.515 646 H TYR 79 H TYR 79 -3.592 -5.415 3.534 647 HA TYR 79 HA TYR 79 -2.800 -8.049 2.864 648 HB2 TYR 79 2HB TYR 79 -2.005 -6.150 5.094 649 HB3 TYR 79 3HB TYR 79 -1.325 -7.769 4.994 650 HD1 TYR 79 HD2 TYR 79 -1.882 -4.845 2.681 651 HD2 TYR 79 HD1 TYR 79 0.763 -7.917 3.988 652 HE1 TYR 79 HE2 TYR 79 -0.152 -3.979 1.167 653 HE2 TYR 79 HE1 TYR 79 2.486 -7.059 2.475 654 HH TYR 79 HH TYR 79 2.446 -4.075 1.141 655 H ALA 80 H ALA 80 -4.668 -6.764 5.583 656 HA ALA 80 HA ALA 80 -4.627 -9.042 7.251 657 HB1 ALA 80 3HB ALA 80 -5.169 -6.805 8.075 658 HB2 ALA 80 1HB ALA 80 -6.460 -7.941 8.469 659 HB3 ALA 80 2HB ALA 80 -6.664 -6.798 7.137 660 H GLU 81 H GLU 81 -6.760 -8.091 4.606 661 HA GLU 81 HA GLU 81 -8.800 -10.035 4.887 662 HB2 GLU 81 2HB GLU 81 -7.696 -8.734 2.357 663 HB3 GLU 81 3HB GLU 81 -9.209 -9.624 2.455 664 HG2 GLU 81 2HG GLU 81 -8.616 -7.084 3.981 665 HG3 GLU 81 3HG GLU 81 -9.474 -7.152 2.446 666 H LEU 82 H LEU 82 -5.738 -9.996 3.101 667 HA LEU 82 HA LEU 82 -6.008 -12.530 1.825 668 HB2 LEU 82 2HB LEU 82 -3.484 -10.893 2.348 669 HB3 LEU 82 3HB LEU 82 -3.651 -12.183 1.165 670 HG LEU 82 HG LEU 82 -5.078 -9.497 1.081 671 HD11 LEU 82 1HD1 LEU 82 -2.875 -10.580 -0.695 672 HD12 LEU 82 2HD1 LEU 82 -2.719 -9.294 0.505 673 HD13 LEU 82 3HD1 LEU 82 -3.728 -9.049 -0.920 674 HD21 LEU 82 3HD2 LEU 82 -6.540 -11.198 0.177 675 HD22 LEU 82 1HD2 LEU 82 -5.248 -11.817 -0.857 676 HD23 LEU 82 2HD2 LEU 82 -5.911 -10.204 -1.132 677 H GLY 83 H GLY 83 -4.760 -11.503 4.923 678 HA2 GLY 83 2HA GLY 83 -4.913 -13.417 6.591 679 HA3 GLY 83 3HA GLY 83 -3.732 -14.213 5.551 680 H TYR 84 H TYR 84 -2.013 -14.254 6.932 681 HA TYR 84 HA TYR 84 -0.226 -13.670 8.163 682 HB2 TYR 84 2HB TYR 84 -0.358 -11.018 6.667 683 HB3 TYR 84 3HB TYR 84 1.048 -11.654 7.514 684 HD1 TYR 84 HD2 TYR 84 1.694 -14.183 6.671 685 HD2 TYR 84 HD1 TYR 84 -0.312 -11.222 4.322 686 HE1 TYR 84 HE2 TYR 84 2.423 -15.312 4.615 687 HE2 TYR 84 HE1 TYR 84 0.424 -12.355 2.265 688 HH TYR 84 HH TYR 84 2.315 -13.924 1.592 689 H ASN 85 H ASN 85 -0.856 -13.614 10.267 690 HA ASN 85 HA ASN 85 -2.407 -11.434 11.380 691 HB2 ASN 85 2HB ASN 85 -1.124 -13.868 12.677 692 HB3 ASN 85 3HB ASN 85 -2.097 -12.692 13.549 693 HD21 ASN 85 1HD2 ASN 85 -2.689 -14.099 10.303 694 HD22 ASN 85 2HD2 ASN 85 -4.184 -14.838 10.727 695 H ASP 86 H ASP 86 -1.629 -9.658 12.327 696 HA ASP 86 HA ASP 86 -0.300 -7.966 12.936 697 HB2 ASP 86 2HB ASP 86 1.786 -10.082 13.633 698 HB3 ASP 86 3HB ASP 86 1.967 -8.362 13.965 699 H ILE 87 H ILE 87 -0.115 -6.904 11.070 700 HA ILE 87 HA ILE 87 1.818 -7.680 9.002 701 HB ILE 87 HB ILE 87 -0.087 -5.285 9.025 702 HG12 ILE 87 2HG1 ILE 87 -1.346 -7.445 9.235 703 HG13 ILE 87 3HG1 ILE 87 -1.684 -6.611 7.725 704 HG21 ILE 87 1HG2 ILE 87 1.365 -6.643 6.716 705 HG22 ILE 87 2HG2 ILE 87 1.733 -5.057 7.395 706 HG23 ILE 87 3HG2 ILE 87 0.201 -5.322 6.564 707 HD11 ILE 87 3HD1 ILE 87 -1.479 -8.995 7.396 708 HD12 ILE 87 1HD1 ILE 87 0.147 -8.981 8.076 709 HD13 ILE 87 2HD1 ILE 87 -0.182 -8.152 6.550 710 H ASN 88 H ASN 88 3.719 -6.515 8.599 711 HA ASN 88 HA ASN 88 4.640 -4.714 10.713 712 HB2 ASN 88 2HB ASN 88 6.043 -6.095 8.381 713 HB3 ASN 88 3HB ASN 88 6.864 -4.899 9.382 714 HD21 ASN 88 1HD2 ASN 88 7.389 -7.792 9.006 715 HD22 ASN 88 2HD2 ASN 88 7.382 -8.460 10.601 716 H VAL 89 H VAL 89 4.813 -2.588 10.510 717 HA VAL 89 HA VAL 89 4.466 -1.248 7.882 718 HB VAL 89 HB VAL 89 3.614 -0.204 10.638 719 HG11 VAL 89 1HG1 VAL 89 3.238 1.025 7.879 720 HG12 VAL 89 2HG1 VAL 89 4.295 1.626 9.157 721 HG13 VAL 89 3HG1 VAL 89 2.546 1.651 9.377 722 HG21 VAL 89 3HG2 VAL 89 1.284 -0.494 9.846 723 HG22 VAL 89 1HG2 VAL 89 2.146 -2.034 9.908 724 HG23 VAL 89 2HG2 VAL 89 1.881 -1.234 8.359 725 H THR 90 H THR 90 6.250 -0.216 7.273 726 HA THR 90 HA THR 90 8.262 0.682 9.255 727 HB THR 90 HB THR 90 8.690 -0.439 6.437 728 HG1 THR 90 HG1 THR 90 9.230 -2.257 7.440 729 HG21 THR 90 3HG2 THR 90 10.359 1.326 6.907 730 HG22 THR 90 1HG2 THR 90 11.117 -0.269 6.920 731 HG23 THR 90 2HG2 THR 90 10.763 0.551 8.441 732 H TRP 91 H TRP 91 7.944 2.842 9.390 733 HA TRP 91 HA TRP 91 7.317 4.588 7.192 734 HB2 TRP 91 2HB TRP 91 8.322 5.064 10.036 735 HB3 TRP 91 3HB TRP 91 8.008 6.382 8.914 736 HD1 TRP 91 HD1 TRP 91 5.501 7.146 8.615 737 HE1 TRP 91 HE1 TRP 91 3.284 6.500 9.731 738 HE3 TRP 91 HE3 TRP 91 7.010 2.922 11.111 739 HZ2 TRP 91 HZ2 TRP 91 2.285 4.503 11.437 740 HZ3 TRP 91 HZ3 TRP 91 5.346 1.707 12.466 741 HH2 TRP 91 HH2 TRP 91 3.031 2.480 12.626 742 H ASP 92 H ASP 92 8.751 5.119 5.624 743 HA ASP 92 HA ASP 92 11.667 5.019 6.134 744 HB2 ASP 92 2HB ASP 92 10.922 2.847 5.167 745 HB3 ASP 92 3HB ASP 92 10.187 3.694 3.818 746 H GLY 93 H GLY 93 11.168 7.347 6.255 747 HA2 GLY 93 2HA GLY 93 11.604 9.435 5.472 748 HA3 GLY 93 3HA GLY 93 12.211 8.689 4.008 749 H ASP 94 H ASP 94 11.042 8.814 2.190 750 HA ASP 94 HA ASP 94 8.615 10.482 2.203 751 HB2 ASP 94 2HB ASP 94 10.371 9.622 -0.144 752 HB3 ASP 94 3HB ASP 94 9.015 10.745 -0.236 753 H THR 95 H THR 95 9.079 7.299 2.520 754 HA THR 95 HA THR 95 6.577 6.581 1.135 755 HB THR 95 HB THR 95 7.664 4.289 0.545 756 HG1 THR 95 HG1 THR 95 9.644 4.940 1.815 757 HG21 THR 95 3HG2 THR 95 8.633 6.719 -1.001 758 HG22 THR 95 1HG2 THR 95 7.064 5.935 -1.202 759 HG23 THR 95 2HG2 THR 95 8.543 5.066 -1.611 760 H VAL 96 H VAL 96 5.236 5.459 2.486 761 HA VAL 96 HA VAL 96 6.333 4.090 4.839 762 HB VAL 96 HB VAL 96 4.371 5.502 5.225 763 HG11 VAL 96 1HG1 VAL 96 2.132 5.014 4.338 764 HG12 VAL 96 2HG1 VAL 96 2.803 3.736 3.325 765 HG13 VAL 96 3HG1 VAL 96 3.264 5.415 3.041 766 HG21 VAL 96 3HG2 VAL 96 3.028 3.909 6.503 767 HG22 VAL 96 1HG2 VAL 96 4.739 3.495 6.616 768 HG23 VAL 96 2HG2 VAL 96 3.674 2.567 5.557 769 H THR 97 H THR 97 6.987 2.103 4.551 770 HA THR 97 HA THR 97 6.015 0.389 2.373 771 HB THR 97 HB THR 97 8.542 0.229 4.078 772 HG1 THR 97 HG1 THR 97 9.470 1.334 2.494 773 HG21 THR 97 3HG2 THR 97 9.328 -1.426 2.409 774 HG22 THR 97 1HG2 THR 97 7.761 -1.363 1.598 775 HG23 THR 97 2HG2 THR 97 7.883 -2.005 3.237 776 H VAL 98 H VAL 98 4.286 -0.728 3.118 777 HA VAL 98 HA VAL 98 4.413 -2.150 5.712 778 HB VAL 98 HB VAL 98 2.054 -1.588 3.856 779 HG11 VAL 98 1HG1 VAL 98 0.594 -2.524 5.609 780 HG12 VAL 98 2HG1 VAL 98 2.015 -3.006 6.536 781 HG13 VAL 98 3HG1 VAL 98 1.696 -3.743 4.966 782 HG21 VAL 98 3HG2 VAL 98 2.829 0.409 5.065 783 HG22 VAL 98 1HG2 VAL 98 2.703 -0.458 6.598 784 HG23 VAL 98 2HG2 VAL 98 1.249 -0.107 5.661 785 H GLU 99 H GLU 99 4.670 -4.320 5.741 786 HA GLU 99 HA GLU 99 4.437 -5.908 3.265 787 HB2 GLU 99 2HB GLU 99 6.809 -5.261 3.486 788 HB3 GLU 99 3HB GLU 99 6.848 -5.871 5.136 789 HG2 GLU 99 2HG GLU 99 6.451 -8.162 4.302 790 HG3 GLU 99 3HG GLU 99 6.405 -7.564 2.648 791 H GLY 100 H GLY 100 3.537 -7.878 3.583 792 HA2 GLY 100 2HA GLY 100 2.686 -8.877 6.143 793 HA3 GLY 100 3HA GLY 100 2.607 -9.715 4.592 794 H GLN 101 H GLN 101 3.856 -10.128 7.502 795 HA GLN 101 HA GLN 101 6.670 -10.423 6.998 796 HB2 GLN 101 2HB GLN 101 6.655 -11.384 9.401 797 HB3 GLN 101 3HB GLN 101 6.178 -9.710 9.189 798 HG2 GLN 101 2HG GLN 101 4.752 -10.761 10.828 799 HG3 GLN 101 3HG GLN 101 3.806 -10.353 9.403 800 HE21 GLN 101 1HE2 GLN 101 5.217 -12.981 11.253 801 HE22 GLN 101 2HE2 GLN 101 4.238 -14.231 10.576 802 H LEU 102 H LEU 102 7.819 -12.439 7.695 803 HA LEU 102 HA LEU 102 6.792 -14.733 6.202 804 HB2 LEU 102 2HB LEU 102 9.527 -14.306 7.496 805 HB3 LEU 102 3HB LEU 102 9.080 -15.665 6.486 806 HG LEU 102 HG LEU 102 10.429 -14.225 5.133 807 HD11 LEU 102 1HD1 LEU 102 8.984 -13.612 3.262 808 HD12 LEU 102 2HD1 LEU 102 7.558 -13.760 4.291 809 HD13 LEU 102 3HD1 LEU 102 8.541 -15.180 3.934 810 HD21 LEU 102 3HD2 LEU 102 9.996 -11.833 4.735 811 HD22 LEU 102 1HD2 LEU 102 10.312 -12.165 6.438 812 HD23 LEU 102 2HD2 LEU 102 8.661 -11.874 5.889 813 H GLU 103 H GLU 103 5.368 -15.869 7.378 814 HA GLU 103 HA GLU 103 5.585 -16.107 10.268 815 HB2 GLU 103 2HB GLU 103 3.416 -15.726 8.808 816 HB3 GLU 103 3HB GLU 103 3.446 -17.464 8.589 817 HG2 GLU 103 2HG GLU 103 3.287 -16.027 11.254 818 HG3 GLU 103 3HG GLU 103 1.922 -16.733 10.405 819 H GLY 104 H GLY 104 7.106 -17.515 10.913 820 HA2 GLY 104 2HA GLY 104 6.896 -20.286 10.767 821 HA3 GLY 104 3HA GLY 104 8.021 -19.797 9.498 822 H VAL 105 H VAL 105 8.865 -21.402 11.569 823 HA VAL 105 HA VAL 105 10.170 -19.881 13.641 824 HB VAL 105 HB VAL 105 11.326 -22.007 14.214 825 HG11 VAL 105 1HG1 VAL 105 9.343 -23.302 14.880 826 HG12 VAL 105 2HG1 VAL 105 8.341 -22.377 13.761 827 HG13 VAL 105 3HG1 VAL 105 9.091 -21.576 15.145 828 HG21 VAL 105 3HG2 VAL 105 11.650 -22.951 11.960 829 HG22 VAL 105 1HG2 VAL 105 9.911 -23.215 11.800 830 HG23 VAL 105 2HG2 VAL 105 10.836 -24.110 13.009 831 H ASP 106 H ASP 106 12.345 -19.290 13.782 832 HA ASP 106 HA ASP 106 14.271 -19.976 11.729 833 HB2 ASP 106 2HB ASP 106 12.984 -18.019 10.729 834 HB3 ASP 106 3HB ASP 106 13.517 -17.031 12.089 Start of MODEL 6 1 H1 MET 1 1H MET 1 -14.551 10.135 11.561 2 H2 MET 1 2H MET 1 -15.709 11.063 12.363 3 H3 MET 1 3H MET 1 -14.073 11.448 12.505 4 HA MET 1 HA MET 1 -15.670 11.596 10.025 5 HB2 MET 1 2HB MET 1 -14.518 13.832 11.762 6 HB3 MET 1 3HB MET 1 -15.311 14.069 10.207 7 HG2 MET 1 2HG MET 1 -16.841 14.613 12.006 8 HG3 MET 1 3HG MET 1 -17.411 13.173 11.160 9 HE1 MET 1 3HE MET 1 -18.566 12.421 14.840 10 HE2 MET 1 1HE MET 1 -19.064 12.470 13.150 11 HE3 MET 1 2HE MET 1 -18.612 13.960 13.979 12 H HIS 2 H HIS 2 -14.309 10.812 8.478 13 HA HIS 2 HA HIS 2 -11.550 11.928 8.302 14 HB2 HIS 2 2HB HIS 2 -12.441 9.113 7.490 15 HB3 HIS 2 3HB HIS 2 -10.832 9.784 7.238 16 HD1 HIS 2 HD1 HIS 2 -12.572 7.633 9.469 17 HD2 HIS 2 HD2 HIS 2 -9.675 10.572 9.958 18 HE1 HIS 2 HE1 HIS 2 -11.515 7.171 11.698 19 HE2 HIS 2 HE2 HIS 2 -9.623 8.811 11.845 20 H HIS 3 H HIS 3 -11.518 13.300 6.634 21 HA HIS 3 HA HIS 3 -13.086 12.729 4.174 22 HB2 HIS 3 2HB HIS 3 -12.082 15.398 5.289 23 HB3 HIS 3 3HB HIS 3 -12.839 15.201 3.711 24 HD1 HIS 3 HD1 HIS 3 -13.604 15.352 7.346 25 HD2 HIS 3 HD2 HIS 3 -15.642 14.784 3.769 26 HE1 HIS 3 HE1 HIS 3 -16.040 15.517 7.924 27 HE2 HIS 3 HE2 HIS 3 -17.240 14.959 5.793 28 H HIS 4 H HIS 4 -12.049 13.012 2.175 29 HA HIS 4 HA HIS 4 -9.189 12.571 2.066 30 HB2 HIS 4 2HB HIS 4 -11.147 13.100 -0.222 31 HB3 HIS 4 3HB HIS 4 -9.506 12.479 -0.384 32 HD1 HIS 4 HD1 HIS 4 -12.865 11.352 -0.402 33 HD2 HIS 4 HD2 HIS 4 -9.306 9.841 1.133 34 HE1 HIS 4 HE1 HIS 4 -13.253 8.890 -0.103 35 HE2 HIS 4 HE2 HIS 4 -11.172 8.062 1.036 36 H HIS 5 H HIS 5 -7.761 13.976 0.817 37 HA HIS 5 HA HIS 5 -8.533 16.846 0.785 38 HB2 HIS 5 2HB HIS 5 -5.710 15.823 1.344 39 HB3 HIS 5 3HB HIS 5 -6.328 17.462 1.537 40 HD1 HIS 5 HD1 HIS 5 -6.338 14.087 3.143 41 HD2 HIS 5 HD2 HIS 5 -7.681 17.932 3.975 42 HE1 HIS 5 HE1 HIS 5 -7.055 14.043 5.553 43 HE2 HIS 5 HE2 HIS 5 -7.713 16.415 6.062 44 H HIS 6 H HIS 6 -8.618 17.503 -1.258 45 HA HIS 6 HA HIS 6 -7.240 16.153 -3.413 46 HB2 HIS 6 2HB HIS 6 -9.520 17.073 -3.755 47 HB3 HIS 6 3HB HIS 6 -8.931 18.701 -3.437 48 HD1 HIS 6 HD1 HIS 6 -7.576 19.859 -5.321 49 HD2 HIS 6 HD2 HIS 6 -8.908 16.047 -6.318 50 HE1 HIS 6 HE1 HIS 6 -7.212 19.636 -7.799 51 HE2 HIS 6 HE2 HIS 6 -8.084 17.355 -8.384 52 H HIS 7 H HIS 7 -5.058 16.436 -2.738 53 HA HIS 7 HA HIS 7 -3.937 19.056 -3.484 54 HB2 HIS 7 2HB HIS 7 -2.355 19.074 -1.656 55 HB3 HIS 7 3HB HIS 7 -3.961 18.890 -0.970 56 HD1 HIS 7 HD1 HIS 7 -0.850 17.898 -0.084 57 HD2 HIS 7 HD2 HIS 7 -4.266 15.666 -0.848 58 HE1 HIS 7 HE1 HIS 7 -0.494 15.707 1.075 59 HE2 HIS 7 HE2 HIS 7 -2.658 14.473 0.776 60 H ARG 8 H ARG 8 -2.292 18.942 -4.800 61 HA ARG 8 HA ARG 8 -1.165 16.327 -5.609 62 HB2 ARG 8 2HB ARG 8 -1.262 18.978 -7.115 63 HB3 ARG 8 3HB ARG 8 -0.655 17.453 -7.753 64 HG2 ARG 8 2HG ARG 8 -2.888 16.484 -7.715 65 HG3 ARG 8 3HG ARG 8 -3.541 17.924 -6.923 66 HD2 ARG 8 2HD ARG 8 -3.021 19.279 -8.888 67 HD3 ARG 8 3HD ARG 8 -2.248 17.894 -9.670 68 HE ARG 8 HE ARG 8 -4.881 17.177 -9.068 69 HH11 ARG 8 1HH1 ARG 8 -3.198 19.430 -11.188 70 HH12 ARG 8 2HH1 ARG 8 -4.453 19.434 -12.386 71 HH21 ARG 8 1HH2 ARG 8 -6.509 17.174 -10.653 72 HH22 ARG 8 2HH2 ARG 8 -6.333 18.148 -12.077 73 H SER 9 H SER 9 -0.281 17.721 -3.266 74 HA SER 9 HA SER 9 2.067 19.193 -3.440 75 HB2 SER 9 2HB SER 9 1.411 17.008 -1.414 76 HB3 SER 9 3HB SER 9 2.558 18.323 -1.173 77 HG SER 9 HG SER 9 0.807 19.783 -1.329 78 H GLY 10 H GLY 10 1.565 15.711 -3.591 79 HA2 GLY 10 2HA GLY 10 3.828 15.387 -5.383 80 HA3 GLY 10 3HA GLY 10 3.941 14.516 -3.854 81 H ASP 11 H ASP 11 3.550 13.656 -6.734 82 HA ASP 11 HA ASP 11 1.020 12.316 -6.823 83 HB2 ASP 11 2HB ASP 11 1.923 11.130 -8.778 84 HB3 ASP 11 3HB ASP 11 2.287 12.843 -8.894 85 H ILE 12 H ILE 12 0.509 10.309 -6.114 86 HA ILE 12 HA ILE 12 2.211 9.096 -4.100 87 HB ILE 12 HB ILE 12 -0.581 8.306 -5.054 88 HG12 ILE 12 2HG1 ILE 12 0.091 9.947 -2.566 89 HG13 ILE 12 3HG1 ILE 12 -0.368 10.675 -4.099 90 HG21 ILE 12 1HG2 ILE 12 0.547 6.460 -3.908 91 HG22 ILE 12 2HG2 ILE 12 -0.767 7.087 -2.912 92 HG23 ILE 12 3HG2 ILE 12 0.905 7.506 -2.530 93 HD11 ILE 12 3HD1 ILE 12 -2.541 9.586 -3.987 94 HD12 ILE 12 1HD1 ILE 12 -2.237 10.579 -2.565 95 HD13 ILE 12 2HD1 ILE 12 -2.097 8.825 -2.456 96 H GLN 13 H GLN 13 3.867 7.987 -5.079 97 HA GLN 13 HA GLN 13 3.431 6.089 -7.232 98 HB2 GLN 13 2HB GLN 13 5.562 7.344 -7.133 99 HB3 GLN 13 3HB GLN 13 5.917 6.655 -5.550 100 HG2 GLN 13 2HG GLN 13 5.898 4.363 -6.648 101 HG3 GLN 13 3HG GLN 13 5.766 5.187 -8.200 102 HE21 GLN 13 1HE2 GLN 13 7.713 4.385 -8.946 103 HE22 GLN 13 2HE2 GLN 13 9.245 4.872 -8.316 104 H VAL 14 H VAL 14 2.726 4.136 -6.838 105 HA VAL 14 HA VAL 14 3.118 2.757 -4.256 106 HB VAL 14 HB VAL 14 1.042 2.199 -6.445 107 HG11 VAL 14 1HG1 VAL 14 -0.078 0.804 -4.735 108 HG12 VAL 14 2HG1 VAL 14 1.247 1.113 -3.612 109 HG13 VAL 14 3HG1 VAL 14 1.544 0.208 -5.098 110 HG21 VAL 14 3HG2 VAL 14 0.674 3.686 -3.826 111 HG22 VAL 14 1HG2 VAL 14 -0.606 3.259 -4.962 112 HG23 VAL 14 2HG2 VAL 14 0.651 4.402 -5.440 113 H GLN 15 H GLN 15 4.606 1.137 -4.379 114 HA GLN 15 HA GLN 15 4.911 -0.384 -6.891 115 HB2 GLN 15 2HB GLN 15 6.764 1.277 -6.707 116 HB3 GLN 15 3HB GLN 15 7.204 0.616 -5.135 117 HG2 GLN 15 2HG GLN 15 7.764 -1.543 -6.191 118 HG3 GLN 15 3HG GLN 15 7.294 -0.901 -7.766 119 HE21 GLN 15 1HE2 GLN 15 8.618 0.713 -8.737 120 HE22 GLN 15 2HE2 GLN 15 10.260 0.938 -8.251 121 H ASN 16 H ASN 16 4.301 -2.405 -6.382 122 HA ASN 16 HA ASN 16 4.749 -3.444 -3.643 123 HB2 ASN 16 2HB ASN 16 2.395 -3.440 -4.557 124 HB3 ASN 16 3HB ASN 16 2.918 -4.528 -5.834 125 HD21 ASN 16 1HD2 ASN 16 2.220 -4.229 -2.446 126 HD22 ASN 16 2HD2 ASN 16 2.187 -5.912 -2.094 127 H ASN 17 H ASN 17 5.843 -5.378 -3.349 128 HA ASN 17 HA ASN 17 7.081 -6.711 -5.688 129 HB2 ASN 17 2HB ASN 17 8.758 -5.467 -4.276 130 HB3 ASN 17 3HB ASN 17 8.263 -6.427 -2.882 131 HD21 ASN 17 1HD2 ASN 17 10.255 -7.429 -2.583 132 HD22 ASN 17 2HD2 ASN 17 10.937 -8.552 -3.702 133 H ASN 18 H ASN 18 5.903 -8.494 -5.925 134 HA ASN 18 HA ASN 18 4.970 -10.065 -3.603 135 HB2 ASN 18 2HB ASN 18 3.266 -9.427 -5.277 136 HB3 ASN 18 3HB ASN 18 4.211 -10.174 -6.561 137 HD21 ASN 18 1HD2 ASN 18 2.555 -11.535 -7.119 138 HD22 ASN 18 2HD2 ASN 18 2.035 -12.859 -6.146 139 H THR 19 H THR 19 5.435 -12.339 -3.561 140 HA THR 19 HA THR 19 8.158 -12.887 -4.523 141 HB THR 19 HB THR 19 6.509 -14.445 -2.464 142 HG1 THR 19 HG1 THR 19 7.186 -12.030 -2.140 143 HG21 THR 19 3HG2 THR 19 9.522 -14.333 -2.942 144 HG22 THR 19 1HG2 THR 19 8.477 -15.698 -3.337 145 HG23 THR 19 2HG2 THR 19 8.722 -15.235 -1.653 146 H CYS 20 H CYS 20 8.683 -14.654 -5.733 147 HA CYS 20 HA CYS 20 8.638 -16.450 -7.072 148 HB2 CYS 20 2HB CYS 20 5.980 -17.175 -5.791 149 HB3 CYS 20 3HB CYS 20 7.058 -18.257 -6.666 150 H ASN 21 H ASN 21 7.508 -13.930 -7.910 151 HA ASN 21 HA ASN 21 5.905 -14.853 -10.221 152 HB2 ASN 21 2HB ASN 21 4.461 -13.555 -8.652 153 HB3 ASN 21 3HB ASN 21 5.585 -12.201 -8.732 154 HD21 ASN 21 1HD2 ASN 21 3.894 -10.876 -9.489 155 HD22 ASN 21 2HD2 ASN 21 3.324 -10.967 -11.114 156 H GLY 22 H GLY 22 7.878 -15.128 -11.301 157 HA2 GLY 22 2HA GLY 22 9.813 -13.071 -11.740 158 HA3 GLY 22 3HA GLY 22 9.636 -14.559 -12.660 159 H LYS 23 H LYS 23 6.921 -14.147 -13.450 160 HA LYS 23 HA LYS 23 7.295 -12.141 -15.582 161 HB2 LYS 23 2HB LYS 23 5.426 -13.310 -16.739 162 HB3 LYS 23 3HB LYS 23 6.765 -14.390 -16.372 163 HG2 LYS 23 2HG LYS 23 5.506 -15.281 -14.439 164 HG3 LYS 23 3HG LYS 23 4.154 -14.219 -14.841 165 HD2 LYS 23 2HD LYS 23 4.021 -15.384 -17.091 166 HD3 LYS 23 3HD LYS 23 5.241 -16.525 -16.510 167 HE2 LYS 23 2HE LYS 23 3.010 -17.479 -16.238 168 HE3 LYS 23 3HE LYS 23 3.713 -17.164 -14.648 169 HZ1 LYS 23 3HZ LYS 23 2.406 -15.155 -14.481 170 HZ2 LYS 23 1HZ LYS 23 1.389 -16.460 -14.812 171 HZ3 LYS 23 2HZ LYS 23 1.787 -15.372 -16.038 172 H THR 24 H THR 24 7.027 -10.735 -13.553 173 HA THR 24 HA THR 24 4.533 -10.128 -12.446 174 HB THR 24 HB THR 24 6.497 -9.263 -11.381 175 HG1 THR 24 HG1 THR 24 5.967 -6.959 -11.328 176 HG21 THR 24 3HG2 THR 24 7.977 -7.543 -12.354 177 HG22 THR 24 1HG2 THR 24 7.083 -7.627 -13.875 178 HG23 THR 24 2HG2 THR 24 8.005 -9.024 -13.315 179 H PHE 25 H PHE 25 2.736 -9.369 -13.357 180 HA PHE 25 HA PHE 25 2.512 -8.364 -15.997 181 HB2 PHE 25 2HB PHE 25 0.610 -9.438 -14.815 182 HB3 PHE 25 3HB PHE 25 0.570 -8.131 -13.642 183 HD1 PHE 25 HD1 PHE 25 -0.157 -9.051 -17.164 184 HD2 PHE 25 HD2 PHE 25 -0.532 -6.009 -14.175 185 HE1 PHE 25 HE1 PHE 25 -1.760 -7.842 -18.585 186 HE2 PHE 25 HE2 PHE 25 -2.136 -4.809 -15.606 187 HZ PHE 25 HZ PHE 25 -2.749 -5.723 -17.810 188 H ASP 26 H ASP 26 1.717 -6.606 -12.997 189 HA ASP 26 HA ASP 26 3.705 -4.659 -13.138 190 HB2 ASP 26 2HB ASP 26 2.159 -3.928 -15.126 191 HB3 ASP 26 3HB ASP 26 0.999 -3.448 -13.897 192 H TYR 27 H TYR 27 3.816 -3.671 -11.162 193 HA TYR 27 HA TYR 27 1.529 -3.814 -9.278 194 HB2 TYR 27 2HB TYR 27 4.451 -4.530 -8.757 195 HB3 TYR 27 3HB TYR 27 3.301 -4.234 -7.467 196 HD1 TYR 27 HD1 TYR 27 1.461 -5.855 -7.027 197 HD2 TYR 27 HD2 TYR 27 4.410 -6.647 -10.004 198 HE1 TYR 27 HE1 TYR 27 0.801 -8.219 -7.048 199 HE2 TYR 27 HE2 TYR 27 3.745 -9.013 -10.028 200 HH TYR 27 HH TYR 27 0.902 -10.161 -8.522 201 H THR 28 H THR 28 3.373 -1.749 -10.996 202 HA THR 28 HA THR 28 3.732 0.249 -8.853 203 HB THR 28 HB THR 28 4.945 0.198 -11.651 204 HG1 THR 28 HG1 THR 28 5.713 -1.360 -9.984 205 HG21 THR 28 3HG2 THR 28 6.362 2.060 -10.882 206 HG22 THR 28 1HG2 THR 28 5.539 2.072 -9.319 207 HG23 THR 28 2HG2 THR 28 4.663 2.524 -10.783 208 H TYR 29 H TYR 29 2.147 1.728 -8.698 209 HA TYR 29 HA TYR 29 0.723 2.688 -11.119 210 HB2 TYR 29 2HB TYR 29 -0.566 2.245 -8.377 211 HB3 TYR 29 3HB TYR 29 -1.378 2.740 -9.861 212 HD1 TYR 29 HD1 TYR 29 -1.633 1.061 -11.762 213 HD2 TYR 29 HD2 TYR 29 -0.154 -0.079 -7.921 214 HE1 TYR 29 HE1 TYR 29 -2.041 -1.303 -12.307 215 HE2 TYR 29 HE2 TYR 29 -0.559 -2.434 -8.471 216 HH TYR 29 HH TYR 29 -1.054 -3.581 -11.506 217 H THR 30 H THR 30 -0.077 4.865 -10.924 218 HA THR 30 HA THR 30 1.013 6.487 -8.703 219 HB THR 30 HB THR 30 0.979 7.345 -11.644 220 HG1 THR 30 HG1 THR 30 2.889 6.060 -10.080 221 HG21 THR 30 3HG2 THR 30 0.761 9.235 -10.044 222 HG22 THR 30 1HG2 THR 30 2.326 9.255 -10.864 223 HG23 THR 30 2HG2 THR 30 2.210 8.677 -9.202 224 H VAL 31 H VAL 31 -0.544 7.660 -7.744 225 HA VAL 31 HA VAL 31 -2.904 8.572 -9.284 226 HB VAL 31 HB VAL 31 -4.357 8.240 -7.272 227 HG11 VAL 31 1HG1 VAL 31 -3.112 5.645 -8.262 228 HG12 VAL 31 2HG1 VAL 31 -4.403 6.549 -9.057 229 HG13 VAL 31 3HG1 VAL 31 -4.692 5.806 -7.482 230 HG21 VAL 31 3HG2 VAL 31 -3.661 6.779 -5.411 231 HG22 VAL 31 1HG2 VAL 31 -2.641 8.215 -5.509 232 HG23 VAL 31 2HG2 VAL 31 -2.036 6.666 -6.096 233 H THR 32 H THR 32 -3.341 10.743 -8.986 234 HA THR 32 HA THR 32 -1.416 12.307 -7.431 235 HB THR 32 HB THR 32 -1.898 12.884 -9.813 236 HG1 THR 32 HG1 THR 32 -1.936 14.613 -7.714 237 HG21 THR 32 3HG2 THR 32 -3.988 14.043 -10.425 238 HG22 THR 32 1HG2 THR 32 -4.644 13.724 -8.818 239 HG23 THR 32 2HG2 THR 32 -4.309 12.384 -9.917 240 H THR 33 H THR 33 -4.297 10.904 -6.657 241 HA THR 33 HA THR 33 -4.921 12.867 -4.558 242 HB THR 33 HB THR 33 -7.081 11.691 -6.379 243 HG1 THR 33 HG1 THR 33 -5.530 13.902 -6.660 244 HG21 THR 33 3HG2 THR 33 -8.620 13.214 -5.224 245 HG22 THR 33 1HG2 THR 33 -7.307 13.803 -4.200 246 HG23 THR 33 2HG2 THR 33 -7.865 12.134 -4.054 247 H GLU 34 H GLU 34 -6.079 11.984 -2.771 248 HA GLU 34 HA GLU 34 -4.968 9.564 -1.841 249 HB2 GLU 34 2HB GLU 34 -7.174 11.266 -0.621 250 HB3 GLU 34 3HB GLU 34 -6.196 10.084 0.246 251 HG2 GLU 34 2HG GLU 34 -4.188 11.436 -0.079 252 HG3 GLU 34 3HG GLU 34 -5.070 12.578 -1.087 253 H SER 35 H SER 35 -8.294 10.322 -2.910 254 HA SER 35 HA SER 35 -9.485 7.953 -1.825 255 HB2 SER 35 2HB SER 35 -10.778 10.045 -2.313 256 HB3 SER 35 3HB SER 35 -10.599 9.724 -4.039 257 HG SER 35 HG SER 35 -12.412 8.672 -3.711 258 H GLU 36 H GLU 36 -7.983 8.751 -4.871 259 HA GLU 36 HA GLU 36 -8.996 6.656 -6.490 260 HB2 GLU 36 2HB GLU 36 -6.245 7.902 -6.843 261 HB3 GLU 36 3HB GLU 36 -7.340 7.314 -8.082 262 HG2 GLU 36 2HG GLU 36 -7.609 9.839 -6.444 263 HG3 GLU 36 3HG GLU 36 -7.256 9.723 -8.163 264 H LEU 37 H LEU 37 -6.442 6.896 -4.167 265 HA LEU 37 HA LEU 37 -4.879 4.637 -4.786 266 HB2 LEU 37 2HB LEU 37 -4.229 6.645 -3.384 267 HB3 LEU 37 3HB LEU 37 -5.235 6.006 -2.093 268 HG LEU 37 HG LEU 37 -3.785 3.989 -1.965 269 HD11 LEU 37 1HD1 LEU 37 -1.671 3.912 -3.183 270 HD12 LEU 37 2HD1 LEU 37 -2.113 5.376 -4.067 271 HD13 LEU 37 3HD1 LEU 37 -3.053 3.894 -4.276 272 HD21 LEU 37 3HD2 LEU 37 -3.276 5.888 -0.504 273 HD22 LEU 37 1HD2 LEU 37 -2.227 6.581 -1.743 274 HD23 LEU 37 2HD2 LEU 37 -1.806 5.044 -0.981 275 H GLN 38 H GLN 38 -7.784 5.056 -2.839 276 HA GLN 38 HA GLN 38 -7.692 2.725 -1.252 277 HB2 GLN 38 2HB GLN 38 -10.251 4.029 -2.281 278 HB3 GLN 38 3HB GLN 38 -10.054 3.105 -0.800 279 HG2 GLN 38 2HG GLN 38 -8.867 5.842 -1.344 280 HG3 GLN 38 3HG GLN 38 -10.315 5.528 -0.398 281 HE21 GLN 38 1HE2 GLN 38 -7.889 6.891 0.420 282 HE22 GLN 38 2HE2 GLN 38 -7.268 6.016 1.772 283 H LYS 39 H LYS 39 -8.950 3.299 -4.518 284 HA LYS 39 HA LYS 39 -10.282 0.801 -4.897 285 HB2 LYS 39 2HB LYS 39 -9.431 3.042 -6.746 286 HB3 LYS 39 3HB LYS 39 -9.872 1.505 -7.461 287 HG2 LYS 39 2HG LYS 39 -11.875 2.570 -7.626 288 HG3 LYS 39 3HG LYS 39 -12.104 1.846 -6.041 289 HD2 LYS 39 2HD LYS 39 -11.056 4.674 -6.376 290 HD3 LYS 39 3HD LYS 39 -12.779 4.322 -6.392 291 HE2 LYS 39 2HE LYS 39 -12.604 3.383 -4.123 292 HE3 LYS 39 3HE LYS 39 -10.877 3.749 -4.107 293 HZ1 LYS 39 3HZ LYS 39 -11.952 5.513 -2.991 294 HZ2 LYS 39 1HZ LYS 39 -13.137 5.668 -4.184 295 HZ3 LYS 39 2HZ LYS 39 -11.550 6.127 -4.513 296 H VAL 40 H VAL 40 -7.093 2.061 -5.938 297 HA VAL 40 HA VAL 40 -6.533 -0.141 -7.620 298 HB VAL 40 HB VAL 40 -5.585 2.142 -7.952 299 HG11 VAL 40 1HG1 VAL 40 -3.561 2.859 -6.760 300 HG12 VAL 40 2HG1 VAL 40 -3.694 1.469 -5.682 301 HG13 VAL 40 3HG1 VAL 40 -4.942 2.717 -5.669 302 HG21 VAL 40 3HG2 VAL 40 -3.414 1.404 -8.819 303 HG22 VAL 40 1HG2 VAL 40 -4.672 0.211 -9.151 304 HG23 VAL 40 2HG2 VAL 40 -3.513 -0.066 -7.848 305 H LEU 41 H LEU 41 -5.818 0.457 -4.232 306 HA LEU 41 HA LEU 41 -4.009 -1.731 -3.890 307 HB2 LEU 41 2HB LEU 41 -5.466 0.150 -2.074 308 HB3 LEU 41 3HB LEU 41 -5.025 -1.389 -1.368 309 HG LEU 41 HG LEU 41 -3.311 0.201 -0.830 310 HD11 LEU 41 1HD1 LEU 41 -1.296 -0.877 -1.731 311 HD12 LEU 41 2HD1 LEU 41 -2.261 -1.680 -2.972 312 HD13 LEU 41 3HD1 LEU 41 -2.514 -2.062 -1.265 313 HD21 LEU 41 3HD2 LEU 41 -3.024 0.784 -3.790 314 HD22 LEU 41 1HD2 LEU 41 -1.968 1.396 -2.509 315 HD23 LEU 41 2HD2 LEU 41 -3.665 1.862 -2.546 316 H ASN 42 H ASN 42 -7.509 -1.390 -3.651 317 HA ASN 42 HA ASN 42 -8.023 -3.881 -2.354 318 HB2 ASN 42 2HB ASN 42 -9.584 -1.882 -2.320 319 HB3 ASN 42 3HB ASN 42 -9.976 -2.212 -4.004 320 HD21 ASN 42 1HD2 ASN 42 -12.153 -2.592 -3.571 321 HD22 ASN 42 2HD2 ASN 42 -12.717 -3.995 -2.738 322 H GLU 43 H GLU 43 -7.738 -2.921 -5.745 323 HA GLU 43 HA GLU 43 -8.677 -5.499 -6.759 324 HB2 GLU 43 2HB GLU 43 -8.208 -4.565 -9.002 325 HB3 GLU 43 3HB GLU 43 -9.222 -3.491 -8.043 326 HG2 GLU 43 2HG GLU 43 -7.150 -2.148 -7.507 327 HG3 GLU 43 3HG GLU 43 -6.273 -3.150 -8.659 328 H LEU 44 H LEU 44 -5.605 -3.777 -6.287 329 HA LEU 44 HA LEU 44 -3.881 -5.546 -7.662 330 HB2 LEU 44 2HB LEU 44 -3.216 -3.260 -6.926 331 HB3 LEU 44 3HB LEU 44 -3.249 -3.790 -5.253 332 HG LEU 44 HG LEU 44 -1.371 -5.361 -5.714 333 HD11 LEU 44 1HD1 LEU 44 -0.129 -5.199 -7.854 334 HD12 LEU 44 2HD1 LEU 44 -1.440 -4.230 -8.522 335 HD13 LEU 44 3HD1 LEU 44 -1.737 -5.897 -8.022 336 HD21 LEU 44 3HD2 LEU 44 0.419 -3.685 -5.959 337 HD22 LEU 44 1HD2 LEU 44 -0.844 -3.130 -4.859 338 HD23 LEU 44 2HD2 LEU 44 -0.761 -2.490 -6.501 339 H LYS 45 H LYS 45 -5.142 -5.487 -4.418 340 HA LYS 45 HA LYS 45 -3.855 -7.367 -2.965 341 HB2 LYS 45 2HB LYS 45 -5.747 -5.983 -2.211 342 HB3 LYS 45 3HB LYS 45 -6.850 -6.902 -3.228 343 HG2 LYS 45 2HG LYS 45 -6.261 -8.942 -1.811 344 HG3 LYS 45 3HG LYS 45 -5.406 -7.835 -0.737 345 HD2 LYS 45 2HD LYS 45 -7.704 -8.320 0.057 346 HD3 LYS 45 3HD LYS 45 -7.458 -6.605 -0.261 347 HE2 LYS 45 2HE LYS 45 -8.636 -6.860 -2.432 348 HE3 LYS 45 3HE LYS 45 -8.882 -8.574 -2.092 349 HZ1 LYS 45 3HZ LYS 45 -10.814 -7.116 -1.581 350 HZ2 LYS 45 1HZ LYS 45 -9.900 -6.394 -0.352 351 HZ3 LYS 45 2HZ LYS 45 -10.283 -8.041 -0.268 352 H ASP 46 H ASP 46 -6.417 -8.014 -5.354 353 HA ASP 46 HA ASP 46 -6.489 -10.849 -5.030 354 HB2 ASP 46 2HB ASP 46 -7.473 -9.104 -7.333 355 HB3 ASP 46 3HB ASP 46 -7.902 -10.799 -7.083 356 H TYR 47 H TYR 47 -4.745 -8.674 -7.188 357 HA TYR 47 HA TYR 47 -3.728 -10.681 -8.970 358 HB2 TYR 47 2HB TYR 47 -2.737 -7.838 -8.510 359 HB3 TYR 47 3HB TYR 47 -2.279 -8.868 -9.863 360 HD1 TYR 47 HD2 TYR 47 -4.839 -10.015 -10.749 361 HD2 TYR 47 HD1 TYR 47 -3.973 -6.043 -9.434 362 HE1 TYR 47 HE2 TYR 47 -6.731 -9.160 -12.070 363 HE2 TYR 47 HE1 TYR 47 -5.867 -5.190 -10.750 364 HH TYR 47 HH TYR 47 -8.252 -7.211 -12.045 365 H ILE 48 H ILE 48 -2.680 -9.407 -5.916 366 HA ILE 48 HA ILE 48 -0.003 -10.537 -5.945 367 HB ILE 48 HB ILE 48 -1.684 -9.473 -3.615 368 HG12 ILE 48 2HG1 ILE 48 0.591 -8.046 -5.068 369 HG13 ILE 48 3HG1 ILE 48 -1.111 -7.769 -5.407 370 HG21 ILE 48 1HG2 ILE 48 0.440 -9.350 -2.342 371 HG22 ILE 48 2HG2 ILE 48 1.288 -10.115 -3.687 372 HG23 ILE 48 3HG2 ILE 48 0.052 -11.011 -2.804 373 HD11 ILE 48 3HD1 ILE 48 -0.249 -6.033 -3.991 374 HD12 ILE 48 1HD1 ILE 48 0.290 -7.214 -2.795 375 HD13 ILE 48 2HD1 ILE 48 -1.434 -6.988 -3.103 376 H LYS 49 H LYS 49 -3.168 -11.282 -4.480 377 HA LYS 49 HA LYS 49 -2.297 -13.439 -2.852 378 HB2 LYS 49 2HB LYS 49 -4.382 -11.921 -2.564 379 HB3 LYS 49 3HB LYS 49 -5.182 -12.983 -3.717 380 HG2 LYS 49 2HG LYS 49 -4.830 -14.903 -2.228 381 HG3 LYS 49 3HG LYS 49 -3.942 -13.880 -1.094 382 HD2 LYS 49 2HD LYS 49 -6.017 -12.543 -0.713 383 HD3 LYS 49 3HD LYS 49 -6.892 -13.625 -1.807 384 HE2 LYS 49 2HE LYS 49 -6.371 -15.532 -0.304 385 HE3 LYS 49 3HE LYS 49 -5.541 -14.421 0.792 386 HZ1 LYS 49 3HZ LYS 49 -7.657 -13.242 1.075 387 HZ2 LYS 49 1HZ LYS 49 -7.753 -14.853 1.571 388 HZ3 LYS 49 2HZ LYS 49 -8.431 -14.382 0.099 389 H LYS 50 H LYS 50 -3.325 -13.230 -6.140 390 HA LYS 50 HA LYS 50 -4.122 -15.812 -6.768 391 HB2 LYS 50 2HB LYS 50 -4.226 -13.874 -8.307 392 HB3 LYS 50 3HB LYS 50 -2.470 -13.880 -8.454 393 HG2 LYS 50 2HG LYS 50 -2.498 -15.994 -9.618 394 HG3 LYS 50 3HG LYS 50 -4.212 -16.230 -9.278 395 HD2 LYS 50 2HD LYS 50 -3.070 -14.024 -11.039 396 HD3 LYS 50 3HD LYS 50 -3.787 -15.524 -11.631 397 HE2 LYS 50 2HE LYS 50 -5.932 -14.879 -10.498 398 HE3 LYS 50 3HE LYS 50 -5.195 -13.335 -10.066 399 HZ1 LYS 50 3HZ LYS 50 -6.553 -13.167 -12.060 400 HZ2 LYS 50 1HZ LYS 50 -5.607 -14.335 -12.830 401 HZ3 LYS 50 2HZ LYS 50 -4.934 -12.846 -12.412 402 H GLN 51 H GLN 51 -0.849 -14.504 -6.364 403 HA GLN 51 HA GLN 51 0.351 -17.189 -6.579 404 HB2 GLN 51 2HB GLN 51 1.811 -14.564 -6.031 405 HB3 GLN 51 3HB GLN 51 2.523 -16.107 -6.483 406 HG2 GLN 51 2HG GLN 51 2.660 -14.722 -8.411 407 HG3 GLN 51 3HG GLN 51 1.358 -15.868 -8.733 408 HE21 GLN 51 1HE2 GLN 51 0.535 -14.365 -10.346 409 HE22 GLN 51 2HE2 GLN 51 -0.334 -12.953 -9.862 410 H GLY 52 H GLY 52 0.795 -14.393 -4.348 411 HA2 GLY 52 2HA GLY 52 0.997 -14.211 -2.074 412 HA3 GLY 52 3HA GLY 52 -0.231 -15.461 -1.989 413 H CYS 53 H CYS 53 3.043 -15.726 -3.298 414 HA CYS 53 HA CYS 53 3.454 -18.321 -2.342 415 HB2 CYS 53 2HB CYS 53 4.567 -17.438 -4.324 416 HB3 CYS 53 3HB CYS 53 5.468 -16.285 -3.347 417 H LYS 54 H LYS 54 5.466 -15.497 -1.345 418 HA LYS 54 HA LYS 54 5.376 -16.484 1.452 419 HB2 LYS 54 2HB LYS 54 7.721 -15.226 -0.024 420 HB3 LYS 54 3HB LYS 54 7.607 -15.133 1.724 421 HG2 LYS 54 2HG LYS 54 9.069 -16.932 1.251 422 HG3 LYS 54 3HG LYS 54 7.550 -17.663 1.768 423 HD2 LYS 54 2HD LYS 54 6.972 -18.070 -0.628 424 HD3 LYS 54 3HD LYS 54 8.533 -17.396 -1.100 425 HE2 LYS 54 2HE LYS 54 8.558 -19.870 -1.074 426 HE3 LYS 54 3HE LYS 54 9.697 -19.197 0.094 427 HZ1 LYS 54 3HZ LYS 54 6.972 -20.170 0.766 428 HZ2 LYS 54 1HZ LYS 54 8.151 -19.658 1.860 429 HZ3 LYS 54 2HZ LYS 54 8.384 -21.070 0.963 430 H ARG 55 H ARG 55 6.516 -13.402 0.015 431 HA ARG 55 HA ARG 55 4.727 -11.987 1.914 432 HB2 ARG 55 2HB ARG 55 6.596 -10.361 2.265 433 HB3 ARG 55 3HB ARG 55 6.998 -11.987 2.805 434 HG2 ARG 55 2HG ARG 55 8.319 -12.363 0.762 435 HG3 ARG 55 3HG ARG 55 7.906 -10.746 0.183 436 HD2 ARG 55 2HD ARG 55 10.166 -10.817 1.153 437 HD3 ARG 55 3HD ARG 55 9.109 -9.743 2.073 438 HE ARG 55 HE ARG 55 9.129 -12.361 3.196 439 HH11 ARG 55 1HH1 ARG 55 11.129 -9.452 3.030 440 HH12 ARG 55 2HH1 ARG 55 11.936 -9.783 4.530 441 HH21 ARG 55 1HH2 ARG 55 10.169 -12.759 5.151 442 HH22 ARG 55 2HH2 ARG 55 11.386 -11.672 5.739 443 H SER 56 H SER 56 4.431 -9.727 1.395 444 HA SER 56 HA SER 56 4.719 -8.923 -1.423 445 HB2 SER 56 2HB SER 56 2.375 -9.760 -1.054 446 HB3 SER 56 3HB SER 56 2.182 -8.617 0.276 447 HG SER 56 HG SER 56 2.494 -8.088 -2.487 448 H ARG 57 H ARG 57 5.632 -6.840 -1.455 449 HA ARG 57 HA ARG 57 5.655 -5.323 1.105 450 HB2 ARG 57 2HB ARG 57 7.797 -6.552 0.695 451 HB3 ARG 57 3HB ARG 57 7.993 -5.728 -0.841 452 HG2 ARG 57 2HG ARG 57 7.794 -4.084 1.685 453 HG3 ARG 57 3HG ARG 57 9.296 -4.932 1.334 454 HD2 ARG 57 2HD ARG 57 9.469 -3.733 -0.821 455 HD3 ARG 57 3HD ARG 57 7.960 -2.882 -0.474 456 HE ARG 57 HE ARG 57 9.786 -2.465 1.633 457 HH11 ARG 57 1HH1 ARG 57 9.325 -1.513 -1.730 458 HH12 ARG 57 2HH1 ARG 57 10.173 -0.008 -1.538 459 HH21 ARG 57 1HH2 ARG 57 10.883 -0.451 1.856 460 HH22 ARG 57 2HH2 ARG 57 11.041 0.581 0.470 461 H THR 58 H THR 58 4.372 -3.597 0.698 462 HA THR 58 HA THR 58 4.452 -2.276 -1.926 463 HB THR 58 HB THR 58 2.577 -1.569 0.375 464 HG1 THR 58 HG1 THR 58 1.692 -3.445 0.015 465 HG21 THR 58 3HG2 THR 58 2.331 -1.183 -2.632 466 HG22 THR 58 1HG2 THR 58 2.702 0.090 -1.463 467 HG23 THR 58 2HG2 THR 58 1.129 -0.713 -1.429 468 H SER 59 H SER 59 5.208 -0.264 -2.191 469 HA SER 59 HA SER 59 6.067 1.405 0.097 470 HB2 SER 59 2HB SER 59 8.034 0.664 -1.128 471 HB3 SER 59 3HB SER 59 7.288 1.033 -2.681 472 HG SER 59 HG SER 59 7.548 3.171 -2.298 473 H ILE 60 H ILE 60 4.708 3.122 0.250 474 HA ILE 60 HA ILE 60 3.405 4.239 -2.173 475 HB ILE 60 HB ILE 60 2.269 3.907 0.645 476 HG12 ILE 60 2HG1 ILE 60 1.378 2.873 -2.083 477 HG13 ILE 60 3HG1 ILE 60 1.936 1.925 -0.711 478 HG21 ILE 60 1HG2 ILE 60 0.280 5.184 -0.037 479 HG22 ILE 60 2HG2 ILE 60 1.032 5.538 -1.591 480 HG23 ILE 60 3HG2 ILE 60 1.731 6.187 -0.110 481 HD11 ILE 60 3HD1 ILE 60 -0.428 1.686 -0.948 482 HD12 ILE 60 1HD1 ILE 60 -0.669 3.434 -0.917 483 HD13 ILE 60 2HD1 ILE 60 -0.100 2.592 0.527 484 H THR 61 H THR 61 3.899 6.325 -2.566 485 HA THR 61 HA THR 61 5.804 7.783 -1.108 486 HB THR 61 HB THR 61 3.823 8.694 -3.236 487 HG1 THR 61 HG1 THR 61 6.168 7.311 -3.284 488 HG21 THR 61 3HG2 THR 61 6.267 10.166 -2.189 489 HG22 THR 61 1HG2 THR 61 4.592 10.680 -1.998 490 HG23 THR 61 2HG2 THR 61 5.323 10.635 -3.605 491 H ALA 62 H ALA 62 5.638 9.080 0.579 492 HA ALA 62 HA ALA 62 3.042 10.219 1.453 493 HB1 ALA 62 3HB ALA 62 5.190 8.959 3.210 494 HB2 ALA 62 1HB ALA 62 3.608 8.258 2.844 495 HB3 ALA 62 2HB ALA 62 3.716 9.746 3.785 496 H ARG 63 H ARG 63 3.275 12.411 1.274 497 HA ARG 63 HA ARG 63 5.889 13.644 1.162 498 HB2 ARG 63 2HB ARG 63 3.067 14.757 0.948 499 HB3 ARG 63 3HB ARG 63 4.485 15.805 0.939 500 HG2 ARG 63 2HG ARG 63 3.961 13.564 -1.050 501 HG3 ARG 63 3HG ARG 63 3.725 15.286 -1.355 502 HD2 ARG 63 2HD ARG 63 6.104 15.717 -1.118 503 HD3 ARG 63 3HD ARG 63 6.397 14.061 -0.596 504 HE ARG 63 HE ARG 63 5.804 13.338 -2.859 505 HH11 ARG 63 1HH1 ARG 63 6.736 16.711 -2.466 506 HH12 ARG 63 2HH1 ARG 63 7.229 16.871 -4.125 507 HH21 ARG 63 1HH2 ARG 63 6.453 13.583 -5.007 508 HH22 ARG 63 2HH2 ARG 63 7.069 15.112 -5.551 509 H THR 64 H THR 64 3.529 13.148 3.609 510 HA THR 64 HA THR 64 5.392 14.232 5.622 511 HB THR 64 HB THR 64 3.446 14.911 7.051 512 HG1 THR 64 HG1 THR 64 1.590 15.013 5.024 513 HG21 THR 64 3HG2 THR 64 4.525 16.670 5.671 514 HG22 THR 64 1HG2 THR 64 2.797 16.972 5.886 515 HG23 THR 64 2HG2 THR 64 3.392 16.324 4.359 516 H LYS 65 H LYS 65 4.922 13.182 7.806 517 HA LYS 65 HA LYS 65 4.509 10.368 7.659 518 HB2 LYS 65 2HB LYS 65 4.553 12.233 10.070 519 HB3 LYS 65 3HB LYS 65 4.437 10.478 10.194 520 HG2 LYS 65 2HG LYS 65 6.615 10.319 8.935 521 HG3 LYS 65 3HG LYS 65 6.750 12.071 9.050 522 HD2 LYS 65 2HD LYS 65 6.724 10.080 11.350 523 HD3 LYS 65 3HD LYS 65 8.093 11.040 10.794 524 HE2 LYS 65 2HE LYS 65 6.855 13.109 11.461 525 HE3 LYS 65 3HE LYS 65 5.571 12.089 12.114 526 HZ1 LYS 65 3HZ LYS 65 7.040 12.729 13.881 527 HZ2 LYS 65 1HZ LYS 65 8.393 12.177 13.029 528 HZ3 LYS 65 2HZ LYS 65 7.246 11.079 13.590 529 H LYS 66 H LYS 66 2.349 13.081 8.097 530 HA LYS 66 HA LYS 66 0.071 11.699 9.094 531 HB2 LYS 66 2HB LYS 66 0.256 14.277 7.466 532 HB3 LYS 66 3HB LYS 66 -1.217 13.698 8.235 533 HG2 LYS 66 2HG LYS 66 1.339 14.492 9.662 534 HG3 LYS 66 3HG LYS 66 -0.149 15.439 9.590 535 HD2 LYS 66 2HD LYS 66 -1.344 13.635 10.825 536 HD3 LYS 66 3HD LYS 66 0.155 12.705 10.906 537 HE2 LYS 66 2HE LYS 66 -0.241 13.853 13.021 538 HE3 LYS 66 3HE LYS 66 1.190 14.525 12.244 539 HZ1 LYS 66 3HZ LYS 66 -0.194 16.264 13.142 540 HZ2 LYS 66 1HZ LYS 66 -1.527 15.727 12.252 541 HZ3 LYS 66 2HZ LYS 66 -0.190 16.370 11.454 542 H GLU 67 H GLU 67 1.295 12.275 5.792 543 HA GLU 67 HA GLU 67 -0.836 11.000 4.401 544 HB2 GLU 67 2HB GLU 67 2.086 11.094 3.529 545 HB3 GLU 67 3HB GLU 67 0.701 10.796 2.490 546 HG2 GLU 67 2HG GLU 67 1.424 13.389 3.866 547 HG3 GLU 67 3HG GLU 67 1.566 13.036 2.149 548 H ALA 68 H ALA 68 2.207 9.858 5.763 549 HA ALA 68 HA ALA 68 2.135 7.176 4.920 550 HB1 ALA 68 3HB ALA 68 3.537 8.403 7.319 551 HB2 ALA 68 1HB ALA 68 4.173 8.303 5.679 552 HB3 ALA 68 2HB ALA 68 3.904 6.828 6.610 553 H GLU 69 H GLU 69 0.634 8.774 7.669 554 HA GLU 69 HA GLU 69 0.012 6.478 9.229 555 HB2 GLU 69 2HB GLU 69 -1.101 9.307 9.147 556 HB3 GLU 69 3HB GLU 69 -1.760 8.099 10.241 557 HG2 GLU 69 2HG GLU 69 1.111 9.072 10.212 558 HG3 GLU 69 3HG GLU 69 -0.137 9.561 11.356 559 H LYS 70 H LYS 70 -2.066 8.473 7.120 560 HA LYS 70 HA LYS 70 -4.368 6.834 7.436 561 HB2 LYS 70 2HB LYS 70 -5.385 8.319 5.750 562 HB3 LYS 70 3HB LYS 70 -4.490 9.233 6.959 563 HG2 LYS 70 2HG LYS 70 -2.548 9.269 5.253 564 HG3 LYS 70 3HG LYS 70 -3.747 8.741 4.072 565 HD2 LYS 70 2HD LYS 70 -5.137 10.773 4.655 566 HD3 LYS 70 3HD LYS 70 -3.819 11.312 5.704 567 HE2 LYS 70 2HE LYS 70 -2.324 11.150 3.614 568 HE3 LYS 70 3HE LYS 70 -3.819 11.020 2.697 569 HZ1 LYS 70 3HZ LYS 70 -3.115 13.276 4.494 570 HZ2 LYS 70 1HZ LYS 70 -4.490 13.168 3.513 571 HZ3 LYS 70 2HZ LYS 70 -2.957 13.285 2.812 572 H PHE 71 H PHE 71 -1.719 6.806 5.150 573 HA PHE 71 HA PHE 71 -3.014 4.966 3.302 574 HB2 PHE 71 2HB PHE 71 -0.268 6.194 3.273 575 HB3 PHE 71 3HB PHE 71 -0.868 5.079 2.042 576 HD1 PHE 71 HD1 PHE 71 -3.763 6.891 2.777 577 HD2 PHE 71 HD2 PHE 71 0.037 7.356 1.036 578 HE1 PHE 71 HE1 PHE 71 -4.615 8.800 1.474 579 HE2 PHE 71 HE2 PHE 71 -0.773 9.310 -0.253 580 HZ PHE 71 HZ PHE 71 -3.111 10.013 -0.044 581 H ALA 72 H ALA 72 -0.853 4.785 6.023 582 HA ALA 72 HA ALA 72 0.064 2.142 5.747 583 HB1 ALA 72 3HB ALA 72 0.817 3.594 7.586 584 HB2 ALA 72 1HB ALA 72 0.164 2.081 8.215 585 HB3 ALA 72 2HB ALA 72 -0.798 3.561 8.298 586 H ALA 73 H ALA 73 -2.954 3.474 7.120 587 HA ALA 73 HA ALA 73 -4.219 1.103 7.877 588 HB1 ALA 73 3HB ALA 73 -6.311 2.395 7.867 589 HB2 ALA 73 1HB ALA 73 -5.525 3.678 6.933 590 HB3 ALA 73 2HB ALA 73 -4.993 3.326 8.577 591 H ILE 74 H ILE 74 -4.135 2.696 4.708 592 HA ILE 74 HA ILE 74 -6.021 1.173 3.276 593 HB ILE 74 HB ILE 74 -3.435 2.478 2.218 594 HG12 ILE 74 2HG1 ILE 74 -6.306 3.541 2.357 595 HG13 ILE 74 3HG1 ILE 74 -4.940 4.106 3.312 596 HG21 ILE 74 1HG2 ILE 74 -4.540 2.421 -0.002 597 HG22 ILE 74 2HG2 ILE 74 -5.920 1.566 0.689 598 HG23 ILE 74 3HG2 ILE 74 -4.340 0.786 0.638 599 HD11 ILE 74 3HD1 ILE 74 -3.835 4.910 1.280 600 HD12 ILE 74 1HD1 ILE 74 -5.432 5.627 1.501 601 HD13 ILE 74 2HD1 ILE 74 -5.211 4.343 0.317 602 H LEU 75 H LEU 75 -2.570 0.651 3.832 603 HA LEU 75 HA LEU 75 -2.353 -1.812 2.414 604 HB2 LEU 75 2HB LEU 75 -0.530 -0.500 4.462 605 HB3 LEU 75 3HB LEU 75 -0.085 -1.899 3.494 606 HG LEU 75 HG LEU 75 -0.768 0.852 2.375 607 HD11 LEU 75 1HD1 LEU 75 1.613 1.055 1.799 608 HD12 LEU 75 2HD1 LEU 75 1.951 -0.477 2.612 609 HD13 LEU 75 3HD1 LEU 75 1.381 0.908 3.542 610 HD21 LEU 75 3HD2 LEU 75 0.178 -1.657 0.965 611 HD22 LEU 75 1HD2 LEU 75 0.016 -0.063 0.226 612 HD23 LEU 75 2HD2 LEU 75 -1.412 -0.896 0.830 613 H ILE 76 H ILE 76 -2.911 -1.034 5.858 614 HA ILE 76 HA ILE 76 -2.529 -3.600 6.965 615 HB ILE 76 HB ILE 76 -3.940 -1.093 7.898 616 HG12 ILE 76 2HG1 ILE 76 -2.476 -1.416 9.930 617 HG13 ILE 76 3HG1 ILE 76 -1.852 -2.892 9.215 618 HG21 ILE 76 1HG2 ILE 76 -5.616 -2.756 8.555 619 HG22 ILE 76 2HG2 ILE 76 -4.783 -2.144 9.984 620 HG23 ILE 76 3HG2 ILE 76 -4.372 -3.735 9.338 621 HD11 ILE 76 3HD1 ILE 76 -0.273 -1.095 8.985 622 HD12 ILE 76 1HD1 ILE 76 -1.476 -0.092 8.175 623 HD13 ILE 76 2HD1 ILE 76 -0.873 -1.552 7.390 624 H LYS 77 H LYS 77 -5.373 -2.080 5.459 625 HA LYS 77 HA LYS 77 -7.297 -4.089 5.906 626 HB2 LYS 77 2HB LYS 77 -7.023 -2.134 3.590 627 HB3 LYS 77 3HB LYS 77 -8.436 -3.150 3.848 628 HG2 LYS 77 2HG LYS 77 -8.850 -2.004 6.014 629 HG3 LYS 77 3HG LYS 77 -7.442 -0.973 5.718 630 HD2 LYS 77 2HD LYS 77 -9.524 0.202 5.089 631 HD3 LYS 77 3HD LYS 77 -8.511 -0.079 3.672 632 HE2 LYS 77 2HE LYS 77 -9.919 -2.071 3.109 633 HE3 LYS 77 3HE LYS 77 -10.962 -1.691 4.478 634 HZ1 LYS 77 3HZ LYS 77 -11.453 0.447 3.422 635 HZ2 LYS 77 1HZ LYS 77 -11.908 -0.859 2.453 636 HZ3 LYS 77 2HZ LYS 77 -10.509 0.017 2.089 637 H VAL 78 H VAL 78 -5.211 -3.512 3.069 638 HA VAL 78 HA VAL 78 -6.037 -5.549 1.382 639 HB VAL 78 HB VAL 78 -3.286 -4.238 1.641 640 HG11 VAL 78 1HG1 VAL 78 -4.314 -5.897 -0.690 641 HG12 VAL 78 2HG1 VAL 78 -3.001 -6.342 0.399 642 HG13 VAL 78 3HG1 VAL 78 -2.821 -4.961 -0.684 643 HG21 VAL 78 3HG2 VAL 78 -5.138 -2.681 1.161 644 HG22 VAL 78 1HG2 VAL 78 -5.596 -3.644 -0.244 645 HG23 VAL 78 2HG2 VAL 78 -4.043 -2.804 -0.218 646 H TYR 79 H TYR 79 -3.327 -5.594 3.687 647 HA TYR 79 HA TYR 79 -2.454 -8.227 3.045 648 HB2 TYR 79 2HB TYR 79 -1.762 -6.321 5.306 649 HB3 TYR 79 3HB TYR 79 -1.037 -7.921 5.177 650 HD1 TYR 79 HD2 TYR 79 -1.693 -5.051 2.789 651 HD2 TYR 79 HD1 TYR 79 1.121 -7.887 4.287 652 HE1 TYR 79 HE2 TYR 79 0.023 -4.132 1.289 653 HE2 TYR 79 HE1 TYR 79 2.820 -6.971 2.791 654 HH TYR 79 HH TYR 79 2.975 -5.703 0.720 655 H ALA 80 H ALA 80 -4.558 -6.928 5.584 656 HA ALA 80 HA ALA 80 -4.864 -9.305 7.103 657 HB1 ALA 80 3HB ALA 80 -5.515 -7.110 7.967 658 HB2 ALA 80 1HB ALA 80 -6.885 -8.218 8.019 659 HB3 ALA 80 2HB ALA 80 -6.790 -6.988 6.753 660 H GLU 81 H GLU 81 -6.417 -8.125 4.170 661 HA GLU 81 HA GLU 81 -8.362 -10.287 3.993 662 HB2 GLU 81 2HB GLU 81 -7.561 -8.149 1.985 663 HB3 GLU 81 3HB GLU 81 -8.900 -9.272 1.776 664 HG2 GLU 81 2HG GLU 81 -10.011 -8.292 3.770 665 HG3 GLU 81 3HG GLU 81 -8.684 -7.145 3.929 666 H LEU 82 H LEU 82 -5.077 -9.748 2.967 667 HA LEU 82 HA LEU 82 -4.942 -12.016 1.172 668 HB2 LEU 82 2HB LEU 82 -2.712 -10.580 2.687 669 HB3 LEU 82 3HB LEU 82 -2.464 -11.777 1.425 670 HG LEU 82 HG LEU 82 -3.777 -9.061 1.013 671 HD11 LEU 82 1HD1 LEU 82 -1.382 -8.812 1.462 672 HD12 LEU 82 2HD1 LEU 82 -1.761 -8.431 -0.217 673 HD13 LEU 82 3HD1 LEU 82 -1.005 -9.977 0.187 674 HD21 LEU 82 3HD2 LEU 82 -3.638 -9.550 -1.377 675 HD22 LEU 82 1HD2 LEU 82 -4.648 -10.726 -0.537 676 HD23 LEU 82 2HD2 LEU 82 -3.007 -11.160 -1.022 677 H GLY 83 H GLY 83 -4.909 -11.481 4.574 678 HA2 GLY 83 2HA GLY 83 -5.603 -13.372 5.965 679 HA3 GLY 83 3HA GLY 83 -4.387 -14.347 5.152 680 H TYR 84 H TYR 84 -2.702 -11.715 5.268 681 HA TYR 84 HA TYR 84 -1.178 -12.456 7.583 682 HB2 TYR 84 2HB TYR 84 -0.808 -10.014 5.776 683 HB3 TYR 84 3HB TYR 84 0.404 -10.732 6.839 684 HD1 TYR 84 HD2 TYR 84 0.462 -13.531 6.305 685 HD2 TYR 84 HD1 TYR 84 -0.246 -10.385 3.493 686 HE1 TYR 84 HE2 TYR 84 1.212 -14.996 4.481 687 HE2 TYR 84 HE1 TYR 84 0.501 -11.863 1.666 688 HH TYR 84 HH TYR 84 2.054 -13.978 1.487 689 H ASN 85 H ASN 85 -2.271 -12.054 9.457 690 HA ASN 85 HA ASN 85 -3.769 -9.629 9.961 691 HB2 ASN 85 2HB ASN 85 -3.053 -11.925 11.839 692 HB3 ASN 85 3HB ASN 85 -4.207 -10.643 12.193 693 HD21 ASN 85 1HD2 ASN 85 -5.439 -10.585 9.562 694 HD22 ASN 85 2HD2 ASN 85 -6.348 -12.045 9.410 695 H ASP 86 H ASP 86 -0.753 -11.094 11.185 696 HA ASP 86 HA ASP 86 0.143 -8.796 12.633 697 HB2 ASP 86 2HB ASP 86 1.737 -11.117 11.448 698 HB3 ASP 86 3HB ASP 86 2.416 -9.889 12.514 699 H ILE 87 H ILE 87 0.914 -6.968 11.819 700 HA ILE 87 HA ILE 87 1.550 -6.794 8.929 701 HB ILE 87 HB ILE 87 0.498 -4.603 10.783 702 HG12 ILE 87 2HG1 ILE 87 -1.254 -6.287 10.282 703 HG13 ILE 87 3HG1 ILE 87 -1.625 -4.751 9.513 704 HG21 ILE 87 1HG2 ILE 87 1.031 -4.519 7.788 705 HG22 ILE 87 2HG2 ILE 87 1.937 -3.663 9.039 706 HG23 ILE 87 3HG2 ILE 87 0.256 -3.246 8.727 707 HD11 ILE 87 3HD1 ILE 87 -2.165 -6.602 8.064 708 HD12 ILE 87 1HD1 ILE 87 -0.513 -7.208 8.157 709 HD13 ILE 87 2HD1 ILE 87 -0.846 -5.667 7.361 710 H ASN 88 H ASN 88 3.698 -6.599 8.597 711 HA ASN 88 HA ASN 88 5.436 -5.213 10.500 712 HB2 ASN 88 2HB ASN 88 6.006 -6.587 7.827 713 HB3 ASN 88 3HB ASN 88 7.236 -5.758 8.781 714 HD21 ASN 88 1HD2 ASN 88 8.449 -7.617 9.141 715 HD22 ASN 88 2HD2 ASN 88 7.917 -8.919 10.138 716 H VAL 89 H VAL 89 5.282 -3.056 10.455 717 HA VAL 89 HA VAL 89 4.991 -1.627 7.869 718 HB VAL 89 HB VAL 89 2.840 -1.552 9.036 719 HG11 VAL 89 1HG1 VAL 89 4.278 -0.338 11.415 720 HG12 VAL 89 2HG1 VAL 89 3.555 -1.946 11.340 721 HG13 VAL 89 3HG1 VAL 89 2.527 -0.514 11.244 722 HG21 VAL 89 3HG2 VAL 89 4.224 1.154 9.201 723 HG22 VAL 89 1HG2 VAL 89 2.478 0.888 9.126 724 HG23 VAL 89 2HG2 VAL 89 3.499 0.448 7.755 725 H THR 90 H THR 90 6.275 0.098 7.576 726 HA THR 90 HA THR 90 7.940 1.160 9.764 727 HB THR 90 HB THR 90 8.851 0.695 6.876 728 HG1 THR 90 HG1 THR 90 8.684 -1.237 8.177 729 HG21 THR 90 3HG2 THR 90 9.932 2.666 7.935 730 HG22 THR 90 1HG2 THR 90 11.082 1.351 7.695 731 HG23 THR 90 2HG2 THR 90 10.426 1.662 9.303 732 H TRP 91 H TRP 91 7.373 3.222 10.044 733 HA TRP 91 HA TRP 91 6.393 4.875 7.807 734 HB2 TRP 91 2HB TRP 91 6.406 5.291 10.826 735 HB3 TRP 91 3HB TRP 91 5.900 6.532 9.684 736 HD1 TRP 91 HD1 TRP 91 3.747 5.752 8.039 737 HE1 TRP 91 HE1 TRP 91 1.625 4.518 8.731 738 HE3 TRP 91 HE3 TRP 91 5.436 3.566 12.344 739 HZ2 TRP 91 HZ2 TRP 91 0.749 2.827 10.796 740 HZ3 TRP 91 HZ3 TRP 91 3.884 2.138 13.617 741 HH2 TRP 91 HH2 TRP 91 1.586 1.774 12.859 742 H ASP 92 H ASP 92 8.211 5.376 6.660 743 HA ASP 92 HA ASP 92 10.641 6.421 7.868 744 HB2 ASP 92 2HB ASP 92 10.943 5.163 5.852 745 HB3 ASP 92 3HB ASP 92 9.671 6.036 5.008 746 H GLY 93 H GLY 93 7.754 7.664 6.313 747 HA2 GLY 93 2HA GLY 93 6.833 9.790 6.955 748 HA3 GLY 93 3HA GLY 93 8.465 10.436 7.090 749 H ASP 94 H ASP 94 9.653 9.601 4.773 750 HA ASP 94 HA ASP 94 8.365 11.191 2.702 751 HB2 ASP 94 2HB ASP 94 10.817 11.321 3.030 752 HB3 ASP 94 3HB ASP 94 10.978 9.610 2.669 753 H THR 95 H THR 95 8.749 7.825 3.559 754 HA THR 95 HA THR 95 6.673 7.144 1.589 755 HB THR 95 HB THR 95 9.124 5.337 1.981 756 HG1 THR 95 HG1 THR 95 8.785 7.516 0.334 757 HG21 THR 95 3HG2 THR 95 8.287 4.171 -0.007 758 HG22 THR 95 1HG2 THR 95 6.913 5.277 -0.107 759 HG23 THR 95 2HG2 THR 95 7.061 4.165 1.261 760 H VAL 96 H VAL 96 5.131 5.731 2.469 761 HA VAL 96 HA VAL 96 5.711 4.398 5.041 762 HB VAL 96 HB VAL 96 3.540 5.546 4.945 763 HG11 VAL 96 1HG1 VAL 96 3.038 5.422 2.557 764 HG12 VAL 96 2HG1 VAL 96 1.685 4.816 3.516 765 HG13 VAL 96 3HG1 VAL 96 2.757 3.684 2.686 766 HG21 VAL 96 3HG2 VAL 96 3.213 2.525 5.064 767 HG22 VAL 96 1HG2 VAL 96 2.089 3.708 5.741 768 HG23 VAL 96 2HG2 VAL 96 3.724 3.574 6.388 769 H THR 97 H THR 97 5.885 2.197 5.178 770 HA THR 97 HA THR 97 5.714 0.565 2.721 771 HB THR 97 HB THR 97 8.022 0.590 4.725 772 HG1 THR 97 HG1 THR 97 7.599 1.837 2.316 773 HG21 THR 97 3HG2 THR 97 9.083 -1.100 3.265 774 HG22 THR 97 1HG2 THR 97 7.626 -1.165 2.272 775 HG23 THR 97 2HG2 THR 97 7.577 -1.714 3.949 776 H VAL 98 H VAL 98 4.711 -1.336 3.043 777 HA VAL 98 HA VAL 98 4.614 -2.572 5.732 778 HB VAL 98 HB VAL 98 2.224 -2.255 3.835 779 HG11 VAL 98 1HG1 VAL 98 2.231 -4.568 4.647 780 HG12 VAL 98 2HG1 VAL 98 0.920 -3.663 5.403 781 HG13 VAL 98 3HG1 VAL 98 2.394 -4.009 6.313 782 HG21 VAL 98 3HG2 VAL 98 1.109 -1.218 5.797 783 HG22 VAL 98 1HG2 VAL 98 2.570 -0.338 5.341 784 HG23 VAL 98 2HG2 VAL 98 2.589 -1.415 6.740 785 H GLU 99 H GLU 99 4.861 -4.811 5.680 786 HA GLU 99 HA GLU 99 5.231 -6.129 3.072 787 HB2 GLU 99 2HB GLU 99 7.449 -5.415 3.873 788 HB3 GLU 99 3HB GLU 99 7.191 -6.243 5.408 789 HG2 GLU 99 2HG GLU 99 7.268 -8.404 4.347 790 HG3 GLU 99 3HG GLU 99 7.216 -7.686 2.737 791 H GLY 100 H GLY 100 4.823 -8.329 3.052 792 HA2 GLY 100 2HA GLY 100 2.684 -9.205 4.723 793 HA3 GLY 100 3HA GLY 100 3.455 -10.118 3.432 794 H GLN 101 H GLN 101 2.976 -9.990 6.711 795 HA GLN 101 HA GLN 101 5.454 -11.168 7.629 796 HB2 GLN 101 2HB GLN 101 3.912 -9.647 8.970 797 HB3 GLN 101 3HB GLN 101 2.755 -10.964 9.045 798 HG2 GLN 101 2HG GLN 101 5.569 -11.230 10.121 799 HG3 GLN 101 3HG GLN 101 4.266 -10.561 11.090 800 HE21 GLN 101 1HE2 GLN 101 5.902 -12.967 11.497 801 HE22 GLN 101 2HE2 GLN 101 4.782 -14.267 11.658 802 H LEU 102 H LEU 102 5.913 -13.332 7.634 803 HA LEU 102 HA LEU 102 3.804 -15.319 7.029 804 HB2 LEU 102 2HB LEU 102 6.853 -15.481 6.956 805 HB3 LEU 102 3HB LEU 102 5.833 -16.902 6.833 806 HG LEU 102 HG LEU 102 6.548 -16.294 4.614 807 HD11 LEU 102 1HD1 LEU 102 4.427 -16.053 3.435 808 HD12 LEU 102 2HD1 LEU 102 3.628 -15.528 4.919 809 HD13 LEU 102 3HD1 LEU 102 4.270 -17.168 4.790 810 HD21 LEU 102 3HD2 LEU 102 7.104 -13.931 4.978 811 HD22 LEU 102 1HD2 LEU 102 5.389 -13.518 5.049 812 HD23 LEU 102 2HD2 LEU 102 6.093 -14.133 3.552 813 H GLU 103 H GLU 103 2.874 -16.200 8.752 814 HA GLU 103 HA GLU 103 3.891 -15.883 11.389 815 HB2 GLU 103 2HB GLU 103 1.362 -16.204 10.464 816 HB3 GLU 103 3HB GLU 103 1.675 -17.873 10.905 817 HG2 GLU 103 2HG GLU 103 1.690 -15.450 12.728 818 HG3 GLU 103 3HG GLU 103 0.554 -16.788 12.744 819 H GLY 104 H GLY 104 5.876 -16.851 11.403 820 HA2 GLY 104 2HA GLY 104 6.003 -19.562 12.262 821 HA3 GLY 104 3HA GLY 104 6.697 -19.371 10.645 822 H VAL 105 H VAL 105 6.641 -17.373 13.572 823 HA VAL 105 HA VAL 105 9.424 -16.601 13.226 824 HB VAL 105 HB VAL 105 9.031 -15.045 15.110 825 HG11 VAL 105 1HG1 VAL 105 7.372 -13.578 14.022 826 HG12 VAL 105 2HG1 VAL 105 6.816 -14.923 13.022 827 HG13 VAL 105 3HG1 VAL 105 8.460 -14.303 12.837 828 HG21 VAL 105 3HG2 VAL 105 7.493 -16.394 16.470 829 HG22 VAL 105 1HG2 VAL 105 6.226 -16.227 15.252 830 HG23 VAL 105 2HG2 VAL 105 6.790 -14.810 16.145 831 H ASP 106 H ASP 106 10.748 -16.472 15.313 832 HA ASP 106 HA ASP 106 10.469 -18.577 17.253 833 HB2 ASP 106 2HB ASP 106 11.331 -19.926 15.361 834 HB3 ASP 106 3HB ASP 106 12.670 -18.807 15.134 Start of MODEL 7 1 H1 MET 1 1H MET 1 20.983 17.447 -5.090 2 H2 MET 1 2H MET 1 22.200 18.162 -6.021 3 H3 MET 1 3H MET 1 20.783 17.610 -6.757 4 HA MET 1 HA MET 1 19.472 19.218 -5.688 5 HB2 MET 1 2HB MET 1 20.530 20.983 -4.239 6 HB3 MET 1 3HB MET 1 20.562 19.374 -3.544 7 HG2 MET 1 2HG MET 1 22.941 19.149 -4.149 8 HG3 MET 1 3HG MET 1 22.912 20.772 -4.847 9 HE1 MET 1 3HE MET 1 25.001 21.209 -1.509 10 HE2 MET 1 1HE MET 1 25.007 21.485 -3.250 11 HE3 MET 1 2HE MET 1 25.019 19.836 -2.617 12 H HIS 2 H HIS 2 19.012 20.125 -7.584 13 HA HIS 2 HA HIS 2 20.754 22.214 -8.697 14 HB2 HIS 2 2HB HIS 2 19.570 19.924 -10.337 15 HB3 HIS 2 3HB HIS 2 20.213 21.399 -11.048 16 HD1 HIS 2 HD1 HIS 2 21.192 18.070 -10.615 17 HD2 HIS 2 HD2 HIS 2 23.120 21.692 -9.947 18 HE1 HIS 2 HE1 HIS 2 23.647 17.547 -10.654 19 HE2 HIS 2 HE2 HIS 2 24.781 19.748 -10.238 20 H HIS 3 H HIS 3 19.541 23.735 -10.007 21 HA HIS 3 HA HIS 3 16.976 24.286 -8.881 22 HB2 HIS 3 2HB HIS 3 17.005 26.354 -10.210 23 HB3 HIS 3 3HB HIS 3 18.537 26.121 -9.388 24 HD1 HIS 3 HD1 HIS 3 20.600 25.442 -10.956 25 HD2 HIS 3 HD2 HIS 3 17.168 26.663 -12.944 26 HE1 HIS 3 HE1 HIS 3 21.318 25.934 -13.304 27 HE2 HIS 3 HE2 HIS 3 19.259 26.832 -14.432 28 H HIS 4 H HIS 4 15.416 22.903 -9.419 29 HA HIS 4 HA HIS 4 14.960 21.937 -12.119 30 HB2 HIS 4 2HB HIS 4 13.495 21.509 -9.487 31 HB3 HIS 4 3HB HIS 4 12.914 20.833 -11.008 32 HD1 HIS 4 HD1 HIS 4 14.553 19.645 -8.212 33 HD2 HIS 4 HD2 HIS 4 15.464 19.451 -12.260 34 HE1 HIS 4 HE1 HIS 4 16.063 17.658 -8.477 35 HE2 HIS 4 HE2 HIS 4 16.360 17.431 -10.951 36 H HIS 5 H HIS 5 12.808 22.067 -13.111 37 HA HIS 5 HA HIS 5 11.822 24.756 -13.350 38 HB2 HIS 5 2HB HIS 5 10.724 22.149 -14.516 39 HB3 HIS 5 3HB HIS 5 10.234 23.768 -15.009 40 HD1 HIS 5 HD1 HIS 5 12.280 21.157 -16.169 41 HD2 HIS 5 HD2 HIS 5 12.800 25.272 -15.886 42 HE1 HIS 5 HE1 HIS 5 14.087 21.725 -17.814 43 HE2 HIS 5 HE2 HIS 5 14.558 24.160 -17.409 44 H HIS 6 H HIS 6 9.245 24.962 -13.334 45 HA HIS 6 HA HIS 6 8.555 25.220 -10.647 46 HB2 HIS 6 2HB HIS 6 6.679 25.168 -13.044 47 HB3 HIS 6 3HB HIS 6 6.239 25.750 -11.442 48 HD1 HIS 6 HD1 HIS 6 7.759 26.807 -14.603 49 HD2 HIS 6 HD2 HIS 6 7.628 28.193 -10.688 50 HE1 HIS 6 HE1 HIS 6 8.482 29.208 -14.707 51 HE2 HIS 6 HE2 HIS 6 8.321 30.038 -12.343 52 H HIS 7 H HIS 7 8.523 23.501 -9.316 53 HA HIS 7 HA HIS 7 7.753 20.877 -10.106 54 HB2 HIS 7 2HB HIS 7 9.495 21.342 -8.351 55 HB3 HIS 7 3HB HIS 7 8.227 21.908 -7.269 56 HD1 HIS 7 HD1 HIS 7 9.313 18.738 -9.073 57 HD2 HIS 7 HD2 HIS 7 7.032 19.888 -5.796 58 HE1 HIS 7 HE1 HIS 7 8.608 16.602 -7.950 59 HE2 HIS 7 HE2 HIS 7 7.206 17.334 -6.007 60 H ARG 8 H ARG 8 5.867 19.859 -9.926 61 HA ARG 8 HA ARG 8 3.476 21.350 -9.107 62 HB2 ARG 8 2HB ARG 8 3.847 18.780 -10.729 63 HB3 ARG 8 3HB ARG 8 2.290 19.533 -10.399 64 HG2 ARG 8 2HG ARG 8 4.551 20.680 -12.069 65 HG3 ARG 8 3HG ARG 8 2.983 20.111 -12.643 66 HD2 ARG 8 2HD ARG 8 3.553 22.575 -10.958 67 HD3 ARG 8 3HD ARG 8 2.931 22.527 -12.609 68 HE ARG 8 HE ARG 8 0.893 21.448 -11.652 69 HH11 ARG 8 1HH1 ARG 8 2.859 23.461 -9.557 70 HH12 ARG 8 2HH1 ARG 8 1.555 23.824 -8.476 71 HH21 ARG 8 1HH2 ARG 8 -0.788 21.869 -10.196 72 HH22 ARG 8 2HH2 ARG 8 -0.516 22.917 -8.841 73 H SER 9 H SER 9 1.722 19.321 -8.556 74 HA SER 9 HA SER 9 2.113 18.553 -5.908 75 HB2 SER 9 2HB SER 9 0.215 16.903 -6.378 76 HB3 SER 9 3HB SER 9 -0.131 18.563 -6.867 77 HG SER 9 HG SER 9 0.668 16.400 -8.538 78 H GLY 10 H GLY 10 3.564 17.153 -5.077 79 HA2 GLY 10 2HA GLY 10 5.052 15.179 -6.504 80 HA3 GLY 10 3HA GLY 10 4.934 15.347 -4.755 81 H ASP 11 H ASP 11 3.711 13.735 -7.547 82 HA ASP 11 HA ASP 11 1.202 12.883 -6.550 83 HB2 ASP 11 2HB ASP 11 2.803 11.760 -8.893 84 HB3 ASP 11 3HB ASP 11 1.085 11.486 -8.599 85 H ILE 12 H ILE 12 0.506 10.778 -6.097 86 HA ILE 12 HA ILE 12 2.285 9.412 -4.286 87 HB ILE 12 HB ILE 12 -0.572 8.642 -5.038 88 HG12 ILE 12 2HG1 ILE 12 0.312 10.410 -2.704 89 HG13 ILE 12 3HG1 ILE 12 -0.429 11.017 -4.177 90 HG21 ILE 12 1HG2 ILE 12 -0.561 7.520 -2.816 91 HG22 ILE 12 2HG2 ILE 12 1.133 7.964 -2.610 92 HG23 ILE 12 3HG2 ILE 12 0.661 6.853 -3.900 93 HD11 ILE 12 3HD1 ILE 12 -2.038 10.906 -2.390 94 HD12 ILE 12 1HD1 ILE 12 -1.731 9.184 -2.165 95 HD13 ILE 12 2HD1 ILE 12 -2.474 9.764 -3.660 96 H GLN 13 H GLN 13 3.798 8.193 -5.318 97 HA GLN 13 HA GLN 13 3.118 6.350 -7.468 98 HB2 GLN 13 2HB GLN 13 5.311 7.495 -7.492 99 HB3 GLN 13 3HB GLN 13 5.731 6.768 -5.945 100 HG2 GLN 13 2HG GLN 13 5.717 4.526 -6.977 101 HG3 GLN 13 3HG GLN 13 5.228 5.231 -8.520 102 HE21 GLN 13 1HE2 GLN 13 7.068 4.372 -9.548 103 HE22 GLN 13 2HE2 GLN 13 8.647 5.034 -9.309 104 H VAL 14 H VAL 14 2.082 4.579 -6.932 105 HA VAL 14 HA VAL 14 2.581 3.095 -4.433 106 HB VAL 14 HB VAL 14 0.407 2.634 -6.553 107 HG11 VAL 14 1HG1 VAL 14 -0.666 1.193 -4.840 108 HG12 VAL 14 2HG1 VAL 14 0.698 1.459 -3.752 109 HG13 VAL 14 3HG1 VAL 14 0.938 0.589 -5.270 110 HG21 VAL 14 3HG2 VAL 14 0.166 4.041 -3.863 111 HG22 VAL 14 1HG2 VAL 14 -1.172 3.668 -4.954 112 HG23 VAL 14 2HG2 VAL 14 0.077 4.813 -5.448 113 H GLN 15 H GLN 15 3.956 1.420 -4.566 114 HA GLN 15 HA GLN 15 4.240 -0.153 -7.048 115 HB2 GLN 15 2HB GLN 15 6.479 0.772 -5.180 116 HB3 GLN 15 3HB GLN 15 6.680 -0.500 -6.382 117 HG2 GLN 15 2HG GLN 15 6.089 1.157 -8.170 118 HG3 GLN 15 3HG GLN 15 6.022 2.414 -6.938 119 HE21 GLN 15 1HE2 GLN 15 8.133 0.251 -8.707 120 HE22 GLN 15 2HE2 GLN 15 9.605 1.076 -8.331 121 H ASN 16 H ASN 16 4.678 -2.400 -6.681 122 HA ASN 16 HA ASN 16 4.442 -3.380 -3.908 123 HB2 ASN 16 2HB ASN 16 2.158 -3.481 -4.801 124 HB3 ASN 16 3HB ASN 16 2.714 -4.305 -6.254 125 HD21 ASN 16 1HD2 ASN 16 2.504 -4.662 -2.733 126 HD22 ASN 16 2HD2 ASN 16 2.362 -6.380 -2.737 127 H ASN 17 H ASN 17 6.129 -4.621 -3.561 128 HA ASN 17 HA ASN 17 7.606 -5.831 -5.810 129 HB2 ASN 17 2HB ASN 17 8.521 -5.445 -2.912 130 HB3 ASN 17 3HB ASN 17 9.524 -5.899 -4.288 131 HD21 ASN 17 1HD2 ASN 17 10.024 -4.283 -5.863 132 HD22 ASN 17 2HD2 ASN 17 9.900 -2.605 -5.481 133 H ASN 18 H ASN 18 6.930 -7.873 -6.142 134 HA ASN 18 HA ASN 18 6.209 -9.636 -3.874 135 HB2 ASN 18 2HB ASN 18 5.957 -10.223 -6.865 136 HB3 ASN 18 3HB ASN 18 5.193 -11.090 -5.533 137 HD21 ASN 18 1HD2 ASN 18 3.367 -10.123 -4.498 138 HD22 ASN 18 2HD2 ASN 18 2.496 -8.832 -5.248 139 H THR 19 H THR 19 7.880 -10.805 -3.113 140 HA THR 19 HA THR 19 10.136 -11.535 -4.903 141 HB THR 19 HB THR 19 11.636 -11.191 -2.862 142 HG1 THR 19 HG1 THR 19 9.267 -10.726 -1.671 143 HG21 THR 19 3HG2 THR 19 11.570 -9.484 -4.652 144 HG22 THR 19 1HG2 THR 19 11.766 -8.726 -3.069 145 HG23 THR 19 2HG2 THR 19 10.192 -8.709 -3.867 146 H CYS 20 H CYS 20 10.554 -13.627 -4.940 147 HA CYS 20 HA CYS 20 10.352 -15.439 -2.746 148 HB2 CYS 20 2HB CYS 20 8.595 -16.891 -4.230 149 HB3 CYS 20 3HB CYS 20 8.064 -15.744 -3.008 150 H ASN 21 H ASN 21 10.634 -17.781 -3.662 151 HA ASN 21 HA ASN 21 13.104 -17.779 -5.063 152 HB2 ASN 21 2HB ASN 21 13.084 -20.219 -4.792 153 HB3 ASN 21 3HB ASN 21 12.565 -19.452 -3.299 154 HD21 ASN 21 1HD2 ASN 21 10.368 -19.648 -2.678 155 HD22 ASN 21 2HD2 ASN 21 9.346 -20.868 -3.337 156 H GLY 22 H GLY 22 13.554 -18.017 -7.180 157 HA2 GLY 22 2HA GLY 22 13.366 -18.600 -9.411 158 HA3 GLY 22 3HA GLY 22 11.796 -19.318 -9.090 159 H LYS 23 H LYS 23 10.022 -17.634 -8.585 160 HA LYS 23 HA LYS 23 10.055 -15.678 -10.786 161 HB2 LYS 23 2HB LYS 23 7.742 -16.857 -9.196 162 HB3 LYS 23 3HB LYS 23 7.568 -15.694 -10.511 163 HG2 LYS 23 2HG LYS 23 8.644 -17.344 -12.065 164 HG3 LYS 23 3HG LYS 23 8.691 -18.514 -10.740 165 HD2 LYS 23 2HD LYS 23 6.757 -18.962 -12.171 166 HD3 LYS 23 3HD LYS 23 6.203 -18.415 -10.586 167 HE2 LYS 23 2HE LYS 23 5.824 -16.150 -11.503 168 HE3 LYS 23 3HE LYS 23 6.394 -16.690 -13.084 169 HZ1 LYS 23 3HZ LYS 23 3.980 -17.668 -11.657 170 HZ2 LYS 23 1HZ LYS 23 4.540 -18.263 -13.137 171 HZ3 LYS 23 2HZ LYS 23 4.013 -16.667 -13.019 172 H THR 24 H THR 24 9.355 -13.588 -10.564 173 HA THR 24 HA THR 24 8.901 -12.338 -7.973 174 HB THR 24 HB THR 24 11.308 -11.613 -9.732 175 HG1 THR 24 HG1 THR 24 11.030 -13.275 -7.646 176 HG21 THR 24 3HG2 THR 24 11.856 -9.887 -8.063 177 HG22 THR 24 1HG2 THR 24 10.401 -10.276 -7.147 178 HG23 THR 24 2HG2 THR 24 10.266 -9.562 -8.755 179 H PHE 25 H PHE 25 7.566 -10.570 -8.227 180 HA PHE 25 HA PHE 25 7.096 -9.472 -10.945 181 HB2 PHE 25 2HB PHE 25 4.960 -10.182 -8.864 182 HB3 PHE 25 3HB PHE 25 4.647 -9.195 -10.289 183 HD1 PHE 25 HD1 PHE 25 4.609 -10.197 -12.552 184 HD2 PHE 25 HD2 PHE 25 5.321 -12.603 -9.083 185 HE1 PHE 25 HE1 PHE 25 4.201 -12.237 -13.870 186 HE2 PHE 25 HE2 PHE 25 4.909 -14.628 -10.405 187 HZ PHE 25 HZ PHE 25 4.354 -14.448 -12.796 188 H ASP 26 H ASP 26 6.136 -7.327 -10.932 189 HA ASP 26 HA ASP 26 6.153 -5.790 -8.444 190 HB2 ASP 26 2HB ASP 26 8.469 -5.498 -9.435 191 HB3 ASP 26 3HB ASP 26 7.739 -4.816 -10.882 192 H TYR 27 H TYR 27 4.450 -4.457 -8.420 193 HA TYR 27 HA TYR 27 3.046 -3.796 -10.964 194 HB2 TYR 27 2HB TYR 27 1.888 -3.934 -8.131 195 HB3 TYR 27 3HB TYR 27 0.989 -3.603 -9.607 196 HD1 TYR 27 HD1 TYR 27 0.912 -5.509 -11.415 197 HD2 TYR 27 HD2 TYR 27 2.078 -6.190 -7.351 198 HE1 TYR 27 HE1 TYR 27 0.435 -7.908 -11.669 199 HE2 TYR 27 HE2 TYR 27 1.593 -8.591 -7.610 200 HH TYR 27 HH TYR 27 1.030 -10.025 -10.678 201 H THR 28 H THR 28 2.756 -1.599 -11.391 202 HA THR 28 HA THR 28 3.341 0.364 -9.250 203 HB THR 28 HB THR 28 4.528 0.518 -12.067 204 HG1 THR 28 HG1 THR 28 5.423 -0.774 -9.969 205 HG21 THR 28 3HG2 THR 28 4.842 2.438 -9.709 206 HG22 THR 28 1HG2 THR 28 3.969 2.786 -11.211 207 HG23 THR 28 2HG2 THR 28 5.715 2.542 -11.237 208 H TYR 29 H TYR 29 1.846 1.870 -9.103 209 HA TYR 29 HA TYR 29 0.194 2.733 -11.395 210 HB2 TYR 29 2HB TYR 29 -0.851 2.328 -8.537 211 HB3 TYR 29 3HB TYR 29 -1.788 2.838 -9.937 212 HD1 TYR 29 HD1 TYR 29 -2.267 1.156 -11.795 213 HD2 TYR 29 HD2 TYR 29 -0.503 -0.029 -8.078 214 HE1 TYR 29 HE1 TYR 29 -2.883 -1.187 -12.238 215 HE2 TYR 29 HE2 TYR 29 -1.122 -2.365 -8.529 216 HH TYR 29 HH TYR 29 -2.823 -3.597 -9.872 217 H THR 30 H THR 30 0.115 4.970 -11.532 218 HA THR 30 HA THR 30 1.177 6.571 -9.257 219 HB THR 30 HB THR 30 1.214 7.377 -12.207 220 HG1 THR 30 HG1 THR 30 2.561 5.557 -11.797 221 HG21 THR 30 3HG2 THR 30 2.715 8.521 -9.803 222 HG22 THR 30 1HG2 THR 30 1.319 9.277 -10.583 223 HG23 THR 30 2HG2 THR 30 2.833 9.092 -11.468 224 H VAL 31 H VAL 31 -0.517 7.412 -8.217 225 HA VAL 31 HA VAL 31 -2.794 8.596 -9.731 226 HB VAL 31 HB VAL 31 -4.166 8.270 -7.662 227 HG11 VAL 31 1HG1 VAL 31 -4.273 6.577 -9.454 228 HG12 VAL 31 2HG1 VAL 31 -4.489 5.827 -7.874 229 HG13 VAL 31 3HG1 VAL 31 -2.941 5.682 -8.714 230 HG21 VAL 31 3HG2 VAL 31 -1.747 6.748 -6.596 231 HG22 VAL 31 1HG2 VAL 31 -3.344 6.771 -5.844 232 HG23 VAL 31 2HG2 VAL 31 -2.402 8.255 -5.954 233 H THR 32 H THR 32 -3.654 10.594 -8.888 234 HA THR 32 HA THR 32 -1.686 12.205 -7.341 235 HB THR 32 HB THR 32 -2.070 12.952 -9.716 236 HG1 THR 32 HG1 THR 32 -1.433 14.458 -8.113 237 HG21 THR 32 3HG2 THR 32 -4.488 12.393 -9.906 238 HG22 THR 32 1HG2 THR 32 -4.162 14.079 -10.325 239 HG23 THR 32 2HG2 THR 32 -4.866 13.679 -8.757 240 H THR 33 H THR 33 -4.594 10.629 -7.002 241 HA THR 33 HA THR 33 -5.530 12.426 -4.838 242 HB THR 33 HB THR 33 -7.458 10.904 -6.651 243 HG1 THR 33 HG1 THR 33 -6.437 12.297 -8.033 244 HG21 THR 33 3HG2 THR 33 -9.101 12.544 -5.850 245 HG22 THR 33 1HG2 THR 33 -7.857 13.352 -4.893 246 HG23 THR 33 2HG2 THR 33 -8.360 11.709 -4.482 247 H GLU 34 H GLU 34 -6.343 11.358 -3.026 248 HA GLU 34 HA GLU 34 -5.365 8.747 -2.437 249 HB2 GLU 34 2HB GLU 34 -7.434 10.317 -0.848 250 HB3 GLU 34 3HB GLU 34 -6.372 9.044 -0.250 251 HG2 GLU 34 2HG GLU 34 -4.418 10.513 -0.615 252 HG3 GLU 34 3HG GLU 34 -5.490 11.780 -1.213 253 H SER 35 H SER 35 -8.507 10.048 -3.320 254 HA SER 35 HA SER 35 -10.179 7.884 -2.838 255 HB2 SER 35 2HB SER 35 -10.357 9.918 -5.097 256 HB3 SER 35 3HB SER 35 -11.687 8.925 -4.493 257 HG SER 35 HG SER 35 -11.850 10.158 -2.776 258 H GLU 36 H GLU 36 -8.290 8.664 -5.779 259 HA GLU 36 HA GLU 36 -9.031 6.484 -7.401 260 HB2 GLU 36 2HB GLU 36 -6.319 7.896 -7.402 261 HB3 GLU 36 3HB GLU 36 -7.042 7.003 -8.738 262 HG2 GLU 36 2HG GLU 36 -8.777 8.693 -8.986 263 HG3 GLU 36 3HG GLU 36 -8.180 9.556 -7.570 264 H LEU 37 H LEU 37 -6.343 6.962 -5.165 265 HA LEU 37 HA LEU 37 -4.938 4.590 -5.421 266 HB2 LEU 37 2HB LEU 37 -4.065 6.505 -4.253 267 HB3 LEU 37 3HB LEU 37 -5.331 6.444 -3.053 268 HG LEU 37 HG LEU 37 -3.585 4.003 -3.194 269 HD11 LEU 37 1HD1 LEU 37 -1.763 4.988 -1.914 270 HD12 LEU 37 2HD1 LEU 37 -2.478 6.592 -2.085 271 HD13 LEU 37 3HD1 LEU 37 -1.891 5.725 -3.509 272 HD21 LEU 37 3HD2 LEU 37 -3.770 4.093 -0.737 273 HD22 LEU 37 1HD2 LEU 37 -5.365 4.200 -1.485 274 HD23 LEU 37 2HD2 LEU 37 -4.593 5.651 -0.836 275 H GLN 38 H GLN 38 -7.856 5.247 -3.547 276 HA GLN 38 HA GLN 38 -7.833 3.096 -1.772 277 HB2 GLN 38 2HB GLN 38 -9.369 5.070 -1.654 278 HB3 GLN 38 3HB GLN 38 -10.259 4.441 -3.036 279 HG2 GLN 38 2HG GLN 38 -11.445 3.960 -0.952 280 HG3 GLN 38 3HG GLN 38 -10.926 2.464 -1.731 281 HE21 GLN 38 1HE2 GLN 38 -10.998 1.278 0.169 282 HE22 GLN 38 2HE2 GLN 38 -9.864 1.479 1.456 283 H LYS 39 H LYS 39 -9.265 3.285 -5.052 284 HA LYS 39 HA LYS 39 -10.176 0.552 -5.068 285 HB2 LYS 39 2HB LYS 39 -9.912 2.563 -7.338 286 HB3 LYS 39 3HB LYS 39 -10.565 0.945 -7.539 287 HG2 LYS 39 2HG LYS 39 -12.485 2.274 -7.358 288 HG3 LYS 39 3HG LYS 39 -12.308 1.594 -5.743 289 HD2 LYS 39 2HD LYS 39 -12.919 3.937 -5.563 290 HD3 LYS 39 3HD LYS 39 -11.257 3.742 -4.996 291 HE2 LYS 39 2HE LYS 39 -11.480 5.752 -6.394 292 HE3 LYS 39 3HE LYS 39 -10.415 4.582 -7.163 293 HZ1 LYS 39 3HZ LYS 39 -12.216 3.953 -8.626 294 HZ2 LYS 39 1HZ LYS 39 -11.938 5.615 -8.729 295 HZ3 LYS 39 2HZ LYS 39 -13.267 5.031 -7.863 296 H VAL 40 H VAL 40 -7.275 2.227 -6.128 297 HA VAL 40 HA VAL 40 -6.006 0.249 -7.648 298 HB VAL 40 HB VAL 40 -4.907 2.487 -5.893 299 HG11 VAL 40 1HG1 VAL 40 -2.671 2.147 -6.904 300 HG12 VAL 40 2HG1 VAL 40 -3.251 0.672 -7.682 301 HG13 VAL 40 3HG1 VAL 40 -3.158 0.762 -5.922 302 HG21 VAL 40 3HG2 VAL 40 -6.101 3.183 -7.929 303 HG22 VAL 40 1HG2 VAL 40 -5.055 2.159 -8.914 304 HG23 VAL 40 2HG2 VAL 40 -4.382 3.558 -8.071 305 H LEU 41 H LEU 41 -6.117 0.715 -4.123 306 HA LEU 41 HA LEU 41 -4.274 -1.374 -3.498 307 HB2 LEU 41 2HB LEU 41 -6.052 0.465 -1.934 308 HB3 LEU 41 3HB LEU 41 -5.594 -1.025 -1.130 309 HG LEU 41 HG LEU 41 -4.074 0.833 -0.534 310 HD11 LEU 41 1HD1 LEU 41 -1.898 -0.299 -1.057 311 HD12 LEU 41 2HD1 LEU 41 -2.789 -1.442 -2.066 312 HD13 LEU 41 3HD1 LEU 41 -3.129 -1.324 -0.335 313 HD21 LEU 41 3HD2 LEU 41 -2.506 1.820 -2.100 314 HD22 LEU 41 1HD2 LEU 41 -4.158 2.124 -2.630 315 HD23 LEU 41 2HD2 LEU 41 -3.192 0.888 -3.438 316 H ASN 42 H ASN 42 -7.740 -1.339 -4.030 317 HA ASN 42 HA ASN 42 -8.306 -3.896 -2.812 318 HB2 ASN 42 2HB ASN 42 -10.055 -2.138 -3.085 319 HB3 ASN 42 3HB ASN 42 -9.947 -2.300 -4.836 320 HD21 ASN 42 1HD2 ASN 42 -12.130 -2.869 -5.006 321 HD22 ASN 42 2HD2 ASN 42 -12.736 -4.411 -4.506 322 H GLU 43 H GLU 43 -7.806 -2.788 -6.198 323 HA GLU 43 HA GLU 43 -8.134 -5.363 -7.404 324 HB2 GLU 43 2HB GLU 43 -7.219 -4.338 -9.444 325 HB3 GLU 43 3HB GLU 43 -8.393 -3.265 -8.691 326 HG2 GLU 43 2HG GLU 43 -6.528 -1.947 -7.706 327 HG3 GLU 43 3HG GLU 43 -5.377 -2.994 -8.528 328 H LEU 44 H LEU 44 -5.356 -3.538 -6.198 329 HA LEU 44 HA LEU 44 -3.243 -5.145 -7.169 330 HB2 LEU 44 2HB LEU 44 -2.974 -2.833 -6.333 331 HB3 LEU 44 3HB LEU 44 -3.395 -3.357 -4.711 332 HG LEU 44 HG LEU 44 -1.304 -4.677 -4.567 333 HD11 LEU 44 1HD1 LEU 44 -0.701 -3.655 -7.356 334 HD12 LEU 44 2HD1 LEU 44 -1.070 -5.323 -6.914 335 HD13 LEU 44 3HD1 LEU 44 0.401 -4.562 -6.321 336 HD21 LEU 44 3HD2 LEU 44 -1.261 -2.345 -3.827 337 HD22 LEU 44 1HD2 LEU 44 -0.838 -1.809 -5.457 338 HD23 LEU 44 2HD2 LEU 44 0.291 -2.799 -4.526 339 H LYS 45 H LYS 45 -4.998 -5.081 -4.119 340 HA LYS 45 HA LYS 45 -3.879 -6.995 -2.544 341 HB2 LYS 45 2HB LYS 45 -5.772 -5.562 -1.918 342 HB3 LYS 45 3HB LYS 45 -6.821 -6.405 -3.049 343 HG2 LYS 45 2HG LYS 45 -6.531 -8.488 -1.660 344 HG3 LYS 45 3HG LYS 45 -5.617 -7.516 -0.498 345 HD2 LYS 45 2HD LYS 45 -7.929 -7.735 0.239 346 HD3 LYS 45 3HD LYS 45 -7.597 -6.054 -0.170 347 HE2 LYS 45 2HE LYS 45 -8.762 -6.338 -2.323 348 HE3 LYS 45 3HE LYS 45 -9.029 -8.049 -1.971 349 HZ1 LYS 45 3HZ LYS 45 -10.133 -5.757 -0.439 350 HZ2 LYS 45 1HZ LYS 45 -10.372 -7.384 -0.055 351 HZ3 LYS 45 2HZ LYS 45 -10.993 -6.752 -1.497 352 H ASP 46 H ASP 46 -6.247 -7.513 -5.144 353 HA ASP 46 HA ASP 46 -6.633 -10.287 -4.916 354 HB2 ASP 46 2HB ASP 46 -8.157 -8.809 -6.215 355 HB3 ASP 46 3HB ASP 46 -6.881 -8.495 -7.383 356 H TYR 47 H TYR 47 -4.299 -8.378 -6.809 357 HA TYR 47 HA TYR 47 -3.305 -10.570 -8.366 358 HB2 TYR 47 2HB TYR 47 -1.985 -7.859 -7.919 359 HB3 TYR 47 3HB TYR 47 -1.689 -8.968 -9.254 360 HD1 TYR 47 HD2 TYR 47 -4.735 -9.635 -9.740 361 HD2 TYR 47 HD1 TYR 47 -2.590 -5.956 -9.290 362 HE1 TYR 47 HE2 TYR 47 -6.455 -8.470 -11.054 363 HE2 TYR 47 HE1 TYR 47 -4.316 -4.797 -10.602 364 HH TYR 47 HH TYR 47 -7.326 -6.099 -11.253 365 H ILE 48 H ILE 48 -2.182 -8.929 -5.445 366 HA ILE 48 HA ILE 48 0.322 -10.156 -5.036 367 HB ILE 48 HB ILE 48 -1.720 -9.235 -2.947 368 HG12 ILE 48 2HG1 ILE 48 0.677 -7.665 -4.010 369 HG13 ILE 48 3HG1 ILE 48 -0.972 -7.435 -4.581 370 HG21 ILE 48 1HG2 ILE 48 -0.039 -10.715 -1.925 371 HG22 ILE 48 2HG2 ILE 48 0.189 -9.057 -1.369 372 HG23 ILE 48 3HG2 ILE 48 1.260 -9.728 -2.601 373 HD11 ILE 48 3HD1 ILE 48 -1.652 -6.754 -2.320 374 HD12 ILE 48 1HD1 ILE 48 -0.375 -5.731 -2.977 375 HD13 ILE 48 2HD1 ILE 48 0.014 -6.954 -1.768 376 H LYS 49 H LYS 49 -2.950 -11.034 -4.082 377 HA LYS 49 HA LYS 49 -2.440 -13.384 -2.567 378 HB2 LYS 49 2HB LYS 49 -4.455 -11.999 -2.342 379 HB3 LYS 49 3HB LYS 49 -4.904 -12.327 -4.003 380 HG2 LYS 49 2HG LYS 49 -5.159 -14.778 -3.341 381 HG3 LYS 49 3HG LYS 49 -4.934 -14.261 -1.668 382 HD2 LYS 49 2HD LYS 49 -7.341 -14.512 -2.290 383 HD3 LYS 49 3HD LYS 49 -6.940 -12.877 -1.759 384 HE2 LYS 49 2HE LYS 49 -6.943 -12.067 -4.049 385 HE3 LYS 49 3HE LYS 49 -7.118 -13.707 -4.683 386 HZ1 LYS 49 3HZ LYS 49 -9.210 -12.470 -4.681 387 HZ2 LYS 49 1HZ LYS 49 -9.126 -12.307 -3.001 388 HZ3 LYS 49 2HZ LYS 49 -9.298 -13.838 -3.692 389 H LYS 50 H LYS 50 -3.338 -12.790 -5.915 390 HA LYS 50 HA LYS 50 -4.205 -15.407 -6.600 391 HB2 LYS 50 2HB LYS 50 -5.001 -13.349 -7.687 392 HB3 LYS 50 3HB LYS 50 -3.393 -13.026 -8.319 393 HG2 LYS 50 2HG LYS 50 -3.545 -14.920 -9.841 394 HG3 LYS 50 3HG LYS 50 -5.063 -15.445 -9.097 395 HD2 LYS 50 2HD LYS 50 -5.435 -14.247 -11.256 396 HD3 LYS 50 3HD LYS 50 -6.212 -13.441 -9.893 397 HE2 LYS 50 2HE LYS 50 -4.284 -11.839 -9.802 398 HE3 LYS 50 3HE LYS 50 -3.617 -12.610 -11.243 399 HZ1 LYS 50 3HZ LYS 50 -5.699 -12.008 -12.399 400 HZ2 LYS 50 1HZ LYS 50 -4.816 -10.668 -11.874 401 HZ3 LYS 50 2HZ LYS 50 -6.195 -11.157 -11.028 402 H GLN 51 H GLN 51 -1.111 -13.702 -7.024 403 HA GLN 51 HA GLN 51 0.183 -16.068 -8.127 404 HB2 GLN 51 2HB GLN 51 2.249 -14.796 -8.059 405 HB3 GLN 51 3HB GLN 51 0.979 -13.787 -8.740 406 HG2 GLN 51 2HG GLN 51 0.768 -12.582 -6.600 407 HG3 GLN 51 3HG GLN 51 2.011 -13.613 -5.890 408 HE21 GLN 51 1HE2 GLN 51 1.389 -10.976 -8.077 409 HE22 GLN 51 2HE2 GLN 51 3.039 -10.503 -8.269 410 H GLY 52 H GLY 52 1.459 -17.518 -6.949 411 HA2 GLY 52 2HA GLY 52 0.871 -17.702 -4.094 412 HA3 GLY 52 3HA GLY 52 1.632 -18.923 -5.103 413 H CYS 53 H CYS 53 2.576 -15.513 -4.543 414 HA CYS 53 HA CYS 53 5.352 -16.220 -4.250 415 HB2 CYS 53 2HB CYS 53 4.413 -14.056 -5.289 416 HB3 CYS 53 3HB CYS 53 4.135 -13.502 -3.640 417 H LYS 54 H LYS 54 6.645 -15.512 -2.331 418 HA LYS 54 HA LYS 54 5.519 -16.784 0.016 419 HB2 LYS 54 2HB LYS 54 7.812 -17.335 -0.752 420 HB3 LYS 54 3HB LYS 54 8.311 -15.665 -0.506 421 HG2 LYS 54 2HG LYS 54 9.100 -17.072 1.323 422 HG3 LYS 54 3HG LYS 54 7.922 -15.901 1.924 423 HD2 LYS 54 2HD LYS 54 6.170 -17.664 1.906 424 HD3 LYS 54 3HD LYS 54 7.351 -18.829 1.298 425 HE2 LYS 54 2HE LYS 54 8.667 -18.578 3.371 426 HE3 LYS 54 3HE LYS 54 7.505 -17.389 3.967 427 HZ1 LYS 54 3HZ LYS 54 7.139 -19.602 4.881 428 HZ2 LYS 54 1HZ LYS 54 6.870 -20.213 3.331 429 HZ3 LYS 54 2HZ LYS 54 5.809 -19.077 3.983 430 H ARG 55 H ARG 55 7.269 -13.690 -0.543 431 HA ARG 55 HA ARG 55 5.475 -12.374 1.386 432 HB2 ARG 55 2HB ARG 55 7.210 -11.283 2.583 433 HB3 ARG 55 3HB ARG 55 7.660 -12.975 2.540 434 HG2 ARG 55 2HG ARG 55 8.841 -10.907 0.664 435 HG3 ARG 55 3HG ARG 55 9.531 -11.274 2.241 436 HD2 ARG 55 2HD ARG 55 10.038 -13.541 1.572 437 HD3 ARG 55 3HD ARG 55 9.135 -13.354 0.061 438 HE ARG 55 HE ARG 55 11.098 -11.375 0.115 439 HH11 ARG 55 1HH1 ARG 55 11.002 -14.891 -0.100 440 HH12 ARG 55 2HH1 ARG 55 12.484 -14.982 -0.990 441 HH21 ARG 55 1HH2 ARG 55 12.992 -11.521 -1.067 442 HH22 ARG 55 2HH2 ARG 55 13.609 -13.067 -1.535 443 H SER 56 H SER 56 4.844 -10.386 0.806 444 HA SER 56 HA SER 56 6.038 -9.046 -1.529 445 HB2 SER 56 2HB SER 56 3.051 -9.610 -1.215 446 HB3 SER 56 3HB SER 56 3.808 -8.715 -2.534 447 HG SER 56 HG SER 56 4.100 -11.466 -1.911 448 H ARG 57 H ARG 57 6.227 -6.900 -1.158 449 HA ARG 57 HA ARG 57 4.786 -5.709 1.146 450 HB2 ARG 57 2HB ARG 57 7.532 -4.829 0.146 451 HB3 ARG 57 3HB ARG 57 6.705 -4.352 1.631 452 HG2 ARG 57 2HG ARG 57 6.916 -6.667 2.467 453 HG3 ARG 57 3HG ARG 57 7.834 -7.086 1.018 454 HD2 ARG 57 2HD ARG 57 9.601 -5.527 1.633 455 HD3 ARG 57 3HD ARG 57 8.645 -4.928 2.997 456 HE ARG 57 HE ARG 57 9.152 -7.763 3.080 457 HH11 ARG 57 1HH1 ARG 57 10.489 -4.628 3.957 458 HH12 ARG 57 2HH1 ARG 57 11.482 -5.274 5.218 459 HH21 ARG 57 1HH2 ARG 57 10.415 -8.580 4.769 460 HH22 ARG 57 2HH2 ARG 57 11.438 -7.516 5.676 461 H THR 58 H THR 58 3.498 -4.034 0.640 462 HA THR 58 HA THR 58 3.704 -2.751 -2.003 463 HB THR 58 HB THR 58 1.492 -2.353 0.062 464 HG1 THR 58 HG1 THR 58 1.624 -4.567 -0.587 465 HG21 THR 58 3HG2 THR 58 0.168 -1.606 -1.890 466 HG22 THR 58 1HG2 THR 58 1.545 -1.893 -2.951 467 HG23 THR 58 2HG2 THR 58 1.628 -0.624 -1.724 468 H SER 59 H SER 59 3.896 -0.469 -2.127 469 HA SER 59 HA SER 59 4.900 0.919 0.238 470 HB2 SER 59 2HB SER 59 6.791 -0.300 -0.927 471 HB3 SER 59 3HB SER 59 6.488 0.680 -2.361 472 HG SER 59 HG SER 59 7.286 1.555 0.215 473 H ILE 60 H ILE 60 4.063 2.907 0.308 474 HA ILE 60 HA ILE 60 2.902 4.141 -2.141 475 HB ILE 60 HB ILE 60 1.746 4.069 0.695 476 HG12 ILE 60 2HG1 ILE 60 0.637 3.000 -1.950 477 HG13 ILE 60 3HG1 ILE 60 1.227 2.031 -0.601 478 HG21 ILE 60 1HG2 ILE 60 0.706 5.645 -1.686 479 HG22 ILE 60 2HG2 ILE 60 1.435 6.328 -0.233 480 HG23 ILE 60 3HG2 ILE 60 -0.107 5.484 -0.130 481 HD11 ILE 60 3HD1 ILE 60 -0.615 2.883 0.795 482 HD12 ILE 60 1HD1 ILE 60 -1.182 2.046 -0.647 483 HD13 ILE 60 2HD1 ILE 60 -1.218 3.805 -0.586 484 H THR 61 H THR 61 3.467 6.242 -2.494 485 HA THR 61 HA THR 61 5.440 7.599 -0.949 486 HB THR 61 HB THR 61 3.601 8.666 -3.144 487 HG1 THR 61 HG1 THR 61 5.135 6.805 -3.538 488 HG21 THR 61 3HG2 THR 61 4.661 10.522 -1.869 489 HG22 THR 61 1HG2 THR 61 5.325 10.405 -3.502 490 HG23 THR 61 2HG2 THR 61 6.247 9.794 -2.130 491 H ALA 62 H ALA 62 5.238 9.274 0.531 492 HA ALA 62 HA ALA 62 2.612 10.365 1.297 493 HB1 ALA 62 3HB ALA 62 4.497 8.923 3.200 494 HB2 ALA 62 1HB ALA 62 2.913 8.355 2.676 495 HB3 ALA 62 2HB ALA 62 3.039 9.803 3.678 496 H ARG 63 H ARG 63 2.801 12.521 1.842 497 HA ARG 63 HA ARG 63 5.479 13.694 1.459 498 HB2 ARG 63 2HB ARG 63 2.808 15.178 1.486 499 HB3 ARG 63 3HB ARG 63 4.368 15.815 0.988 500 HG2 ARG 63 2HG ARG 63 3.203 15.442 -1.023 501 HG3 ARG 63 3HG ARG 63 4.320 14.084 -0.904 502 HD2 ARG 63 2HD ARG 63 2.556 12.578 -0.278 503 HD3 ARG 63 3HD ARG 63 1.427 13.908 0.002 504 HE ARG 63 HE ARG 63 2.484 13.284 -2.684 505 HH11 ARG 63 1HH1 ARG 63 -0.251 13.856 -0.571 506 HH12 ARG 63 2HH1 ARG 63 -1.408 13.842 -1.864 507 HH21 ARG 63 1HH2 ARG 63 0.971 13.295 -4.377 508 HH22 ARG 63 2HH2 ARG 63 -0.712 13.525 -4.020 509 H THR 64 H THR 64 2.694 13.889 3.666 510 HA THR 64 HA THR 64 4.375 15.116 5.776 511 HB THR 64 HB THR 64 2.243 15.571 6.965 512 HG1 THR 64 HG1 THR 64 0.874 14.631 4.657 513 HG21 THR 64 3HG2 THR 64 2.133 16.541 4.080 514 HG22 THR 64 1HG2 THR 64 3.067 17.296 5.376 515 HG23 THR 64 2HG2 THR 64 1.305 17.279 5.451 516 H LYS 65 H LYS 65 3.966 14.265 8.000 517 HA LYS 65 HA LYS 65 4.458 11.508 8.246 518 HB2 LYS 65 2HB LYS 65 4.266 11.860 10.681 519 HB3 LYS 65 3HB LYS 65 5.207 13.142 9.931 520 HG2 LYS 65 2HG LYS 65 3.281 14.670 10.056 521 HG3 LYS 65 3HG LYS 65 2.296 13.388 10.760 522 HD2 LYS 65 2HD LYS 65 2.992 14.847 12.539 523 HD3 LYS 65 3HD LYS 65 3.866 13.330 12.726 524 HE2 LYS 65 2HE LYS 65 5.071 15.787 11.398 525 HE3 LYS 65 3HE LYS 65 5.214 15.452 13.120 526 HZ1 LYS 65 3HZ LYS 65 6.249 13.745 10.920 527 HZ2 LYS 65 1HZ LYS 65 6.337 13.365 12.565 528 HZ3 LYS 65 2HZ LYS 65 7.164 14.706 11.957 529 H LYS 66 H LYS 66 1.498 13.404 8.403 530 HA LYS 66 HA LYS 66 -0.169 11.482 9.658 531 HB2 LYS 66 2HB LYS 66 -0.906 13.839 7.871 532 HB3 LYS 66 3HB LYS 66 -2.039 12.940 8.875 533 HG2 LYS 66 2HG LYS 66 0.313 14.570 9.886 534 HG3 LYS 66 3HG LYS 66 -1.385 15.058 9.938 535 HD2 LYS 66 2HD LYS 66 -1.907 13.228 11.497 536 HD3 LYS 66 3HD LYS 66 -0.261 12.600 11.366 537 HE2 LYS 66 2HE LYS 66 -0.595 13.846 13.467 538 HE3 LYS 66 3HE LYS 66 0.620 14.622 12.455 539 HZ1 LYS 66 3HZ LYS 66 -0.948 16.174 13.500 540 HZ2 LYS 66 1HZ LYS 66 -2.217 15.484 12.632 541 HZ3 LYS 66 2HZ LYS 66 -0.965 16.276 11.817 542 H GLU 67 H GLU 67 0.558 12.246 6.285 543 HA GLU 67 HA GLU 67 -1.151 10.317 5.078 544 HB2 GLU 67 2HB GLU 67 1.367 11.682 4.039 545 HB3 GLU 67 3HB GLU 67 0.314 10.664 3.050 546 HG2 GLU 67 2HG GLU 67 -1.570 12.190 3.439 547 HG3 GLU 67 3HG GLU 67 -0.559 13.196 4.475 548 H ALA 68 H ALA 68 2.217 10.246 6.195 549 HA ALA 68 HA ALA 68 2.940 7.691 5.298 550 HB1 ALA 68 3HB ALA 68 3.893 9.096 7.818 551 HB2 ALA 68 1HB ALA 68 4.574 9.302 6.203 552 HB3 ALA 68 2HB ALA 68 4.696 7.742 7.019 553 H GLU 69 H GLU 69 1.271 8.698 8.235 554 HA GLU 69 HA GLU 69 1.244 6.115 9.498 555 HB2 GLU 69 2HB GLU 69 -0.247 8.704 10.131 556 HB3 GLU 69 3HB GLU 69 -0.204 7.288 11.183 557 HG2 GLU 69 2HG GLU 69 2.175 7.526 11.551 558 HG3 GLU 69 3HG GLU 69 2.293 8.773 10.310 559 H LYS 70 H LYS 70 -1.062 7.967 7.491 560 HA LYS 70 HA LYS 70 -3.259 6.173 8.126 561 HB2 LYS 70 2HB LYS 70 -4.692 7.569 6.836 562 HB3 LYS 70 3HB LYS 70 -3.623 8.623 7.747 563 HG2 LYS 70 2HG LYS 70 -2.273 9.006 5.709 564 HG3 LYS 70 3HG LYS 70 -3.373 7.971 4.791 565 HD2 LYS 70 2HD LYS 70 -5.240 9.529 5.230 566 HD3 LYS 70 3HD LYS 70 -4.187 10.539 6.227 567 HE2 LYS 70 2HE LYS 70 -2.759 10.940 4.205 568 HE3 LYS 70 3HE LYS 70 -3.936 10.047 3.241 569 HZ1 LYS 70 3HZ LYS 70 -4.269 12.428 3.106 570 HZ2 LYS 70 1HZ LYS 70 -4.496 12.519 4.781 571 HZ3 LYS 70 2HZ LYS 70 -5.600 11.673 3.817 572 H PHE 71 H PHE 71 -1.176 6.738 5.229 573 HA PHE 71 HA PHE 71 -2.493 4.763 3.643 574 HB2 PHE 71 2HB PHE 71 0.225 6.054 3.300 575 HB3 PHE 71 3HB PHE 71 -0.390 4.833 2.190 576 HD1 PHE 71 HD1 PHE 71 -2.522 5.354 0.831 577 HD2 PHE 71 HD2 PHE 71 -0.543 8.260 3.124 578 HE1 PHE 71 HE1 PHE 71 -3.617 7.156 -0.453 579 HE2 PHE 71 HE2 PHE 71 -1.588 10.058 1.853 580 HZ PHE 71 HZ PHE 71 -3.137 9.497 0.047 581 H ALA 72 H ALA 72 0.102 4.653 5.989 582 HA ALA 72 HA ALA 72 0.991 2.019 5.708 583 HB1 ALA 72 3HB ALA 72 0.530 3.599 8.265 584 HB2 ALA 72 1HB ALA 72 2.003 3.592 7.294 585 HB3 ALA 72 2HB ALA 72 1.494 2.126 8.133 586 H ALA 73 H ALA 73 -1.790 3.311 7.571 587 HA ALA 73 HA ALA 73 -2.844 0.838 8.445 588 HB1 ALA 73 3HB ALA 73 -4.861 2.115 9.025 589 HB2 ALA 73 1HB ALA 73 -4.285 3.486 8.064 590 HB3 ALA 73 2HB ALA 73 -3.404 2.982 9.506 591 H ILE 74 H ILE 74 -3.461 2.754 5.525 592 HA ILE 74 HA ILE 74 -5.618 1.340 4.388 593 HB ILE 74 HB ILE 74 -3.384 3.029 3.130 594 HG12 ILE 74 2HG1 ILE 74 -6.351 3.648 3.570 595 HG13 ILE 74 3HG1 ILE 74 -5.061 4.160 4.648 596 HG21 ILE 74 1HG2 ILE 74 -4.727 3.121 1.041 597 HG22 ILE 74 2HG2 ILE 74 -5.846 1.927 1.702 598 HG23 ILE 74 3HG2 ILE 74 -4.171 1.478 1.376 599 HD11 ILE 74 3HD1 ILE 74 -5.359 5.002 1.765 600 HD12 ILE 74 1HD1 ILE 74 -4.110 5.549 2.893 601 HD13 ILE 74 2HD1 ILE 74 -5.805 5.952 3.181 602 H LEU 75 H LEU 75 -2.120 0.851 4.099 603 HA LEU 75 HA LEU 75 -2.170 -1.464 2.481 604 HB2 LEU 75 2HB LEU 75 -0.093 -0.431 4.439 605 HB3 LEU 75 3HB LEU 75 0.185 -1.777 3.345 606 HG LEU 75 HG LEU 75 -0.391 1.092 2.494 607 HD11 LEU 75 1HD1 LEU 75 1.856 0.880 3.433 608 HD12 LEU 75 2HD1 LEU 75 1.927 1.157 1.695 609 HD13 LEU 75 3HD1 LEU 75 2.211 -0.464 2.344 610 HD21 LEU 75 3HD2 LEU 75 0.190 -1.361 0.836 611 HD22 LEU 75 1HD2 LEU 75 0.142 0.293 0.225 612 HD23 LEU 75 2HD2 LEU 75 -1.310 -0.438 0.893 613 H ILE 76 H ILE 76 -2.116 -1.102 6.075 614 HA ILE 76 HA ILE 76 -1.860 -3.822 6.748 615 HB ILE 76 HB ILE 76 -2.793 -1.380 8.253 616 HG12 ILE 76 2HG1 ILE 76 -1.156 -2.278 9.998 617 HG13 ILE 76 3HG1 ILE 76 -0.793 -3.593 8.894 618 HG21 ILE 76 1HG2 ILE 76 -3.387 -4.144 9.365 619 HG22 ILE 76 2HG2 ILE 76 -4.575 -2.912 8.938 620 HG23 ILE 76 3HG2 ILE 76 -3.470 -2.635 10.283 621 HD11 ILE 76 3HD1 ILE 76 0.917 -1.935 8.838 622 HD12 ILE 76 1HD1 ILE 76 -0.257 -0.672 8.475 623 HD13 ILE 76 2HD1 ILE 76 0.069 -1.938 7.292 624 H LYS 77 H LYS 77 -4.750 -1.939 5.890 625 HA LYS 77 HA LYS 77 -6.760 -3.821 6.518 626 HB2 LYS 77 2HB LYS 77 -6.714 -1.668 4.365 627 HB3 LYS 77 3HB LYS 77 -8.159 -2.558 4.847 628 HG2 LYS 77 2HG LYS 77 -8.005 -1.620 7.118 629 HG3 LYS 77 3HG LYS 77 -6.524 -0.767 6.671 630 HD2 LYS 77 2HD LYS 77 -8.427 0.773 6.602 631 HD3 LYS 77 3HD LYS 77 -7.783 0.535 4.976 632 HE2 LYS 77 2HE LYS 77 -9.609 -1.029 4.462 633 HE3 LYS 77 3HE LYS 77 -10.232 -0.873 6.107 634 HZ1 LYS 77 3HZ LYS 77 -10.010 1.368 4.172 635 HZ2 LYS 77 1HZ LYS 77 -10.731 1.419 5.703 636 HZ3 LYS 77 2HZ LYS 77 -11.420 0.490 4.470 637 H VAL 78 H VAL 78 -4.879 -3.320 3.559 638 HA VAL 78 HA VAL 78 -6.167 -5.165 1.861 639 HB VAL 78 HB VAL 78 -3.396 -3.898 1.866 640 HG11 VAL 78 1HG1 VAL 78 -4.469 -5.715 -0.317 641 HG12 VAL 78 2HG1 VAL 78 -3.071 -6.035 0.707 642 HG13 VAL 78 3HG1 VAL 78 -3.030 -4.704 -0.451 643 HG21 VAL 78 3HG2 VAL 78 -5.891 -3.475 0.181 644 HG22 VAL 78 1HG2 VAL 78 -4.355 -2.652 -0.089 645 HG23 VAL 78 2HG2 VAL 78 -5.244 -2.383 1.410 646 H TYR 79 H TYR 79 -3.220 -5.545 3.862 647 HA TYR 79 HA TYR 79 -2.892 -8.332 3.265 648 HB2 TYR 79 2HB TYR 79 -1.677 -6.560 5.405 649 HB3 TYR 79 3HB TYR 79 -1.222 -8.245 5.179 650 HD1 TYR 79 HD1 TYR 79 -0.219 -8.950 2.922 651 HD2 TYR 79 HD2 TYR 79 -0.660 -4.857 4.066 652 HE1 TYR 79 HE1 TYR 79 1.457 -8.298 1.249 653 HE2 TYR 79 HE2 TYR 79 1.012 -4.206 2.390 654 HH TYR 79 HH TYR 79 3.060 -5.564 1.275 655 H ALA 80 H ALA 80 -4.765 -6.592 5.614 656 HA ALA 80 HA ALA 80 -5.259 -8.690 7.479 657 HB1 ALA 80 3HB ALA 80 -5.689 -6.320 7.999 658 HB2 ALA 80 1HB ALA 80 -7.145 -7.291 8.229 659 HB3 ALA 80 2HB ALA 80 -6.972 -6.278 6.791 660 H GLU 81 H GLU 81 -6.752 -7.690 4.450 661 HA GLU 81 HA GLU 81 -8.884 -9.593 4.403 662 HB2 GLU 81 2HB GLU 81 -7.461 -8.129 2.141 663 HB3 GLU 81 3HB GLU 81 -8.952 -9.042 1.956 664 HG2 GLU 81 2HG GLU 81 -8.709 -6.645 3.792 665 HG3 GLU 81 3HG GLU 81 -9.166 -6.512 2.096 666 H LEU 82 H LEU 82 -5.547 -9.535 3.196 667 HA LEU 82 HA LEU 82 -5.601 -11.977 1.746 668 HB2 LEU 82 2HB LEU 82 -3.235 -10.433 2.891 669 HB3 LEU 82 3HB LEU 82 -3.110 -11.756 1.737 670 HG LEU 82 HG LEU 82 -4.420 -9.055 1.220 671 HD11 LEU 82 1HD1 LEU 82 -1.875 -10.234 0.071 672 HD12 LEU 82 2HD1 LEU 82 -1.987 -8.898 1.223 673 HD13 LEU 82 3HD1 LEU 82 -2.619 -8.705 -0.411 674 HD21 LEU 82 3HD2 LEU 82 -5.665 -10.755 0.039 675 HD22 LEU 82 1HD2 LEU 82 -4.180 -11.451 -0.615 676 HD23 LEU 82 2HD2 LEU 82 -4.700 -9.839 -1.111 677 H GLY 83 H GLY 83 -5.115 -11.265 5.120 678 HA2 GLY 83 2HA GLY 83 -5.441 -14.028 5.815 679 HA3 GLY 83 3HA GLY 83 -3.802 -13.460 6.123 680 H TYR 84 H TYR 84 -6.253 -14.243 7.839 681 HA TYR 84 HA TYR 84 -6.683 -11.853 9.441 682 HB2 TYR 84 2HB TYR 84 -8.449 -13.674 9.043 683 HB3 TYR 84 3HB TYR 84 -7.520 -14.698 10.129 684 HD1 TYR 84 HD2 TYR 84 -9.103 -11.279 10.039 685 HD2 TYR 84 HD1 TYR 84 -8.144 -14.699 12.430 686 HE1 TYR 84 HE2 TYR 84 -10.341 -10.309 11.928 687 HE2 TYR 84 HE1 TYR 84 -9.387 -13.723 14.316 688 HH TYR 84 HH TYR 84 -10.107 -11.464 15.084 689 H ASN 85 H ASN 85 -4.421 -11.506 9.761 690 HA ASN 85 HA ASN 85 -3.157 -12.881 12.035 691 HB2 ASN 85 2HB ASN 85 -2.372 -14.094 10.002 692 HB3 ASN 85 3HB ASN 85 -1.879 -12.578 9.254 693 HD21 ASN 85 1HD2 ASN 85 0.279 -12.903 9.094 694 HD22 ASN 85 2HD2 ASN 85 1.338 -13.245 10.412 695 H ASP 86 H ASP 86 -1.178 -11.563 12.755 696 HA ASP 86 HA ASP 86 -1.541 -8.741 12.762 697 HB2 ASP 86 2HB ASP 86 -0.254 -10.019 14.530 698 HB3 ASP 86 3HB ASP 86 1.033 -10.290 13.345 699 H ILE 87 H ILE 87 -0.449 -7.140 11.624 700 HA ILE 87 HA ILE 87 1.068 -7.946 9.204 701 HB ILE 87 HB ILE 87 -0.676 -5.437 9.418 702 HG12 ILE 87 2HG1 ILE 87 -2.246 -7.322 9.599 703 HG13 ILE 87 3HG1 ILE 87 -2.395 -6.617 7.995 704 HG21 ILE 87 1HG2 ILE 87 -0.464 -5.393 6.955 705 HG22 ILE 87 2HG2 ILE 87 0.532 -6.849 7.004 706 HG23 ILE 87 3HG2 ILE 87 1.119 -5.354 7.735 707 HD11 ILE 87 3HD1 ILE 87 -1.027 -9.205 8.731 708 HD12 ILE 87 1HD1 ILE 87 -0.987 -8.488 7.118 709 HD13 ILE 87 2HD1 ILE 87 -2.520 -8.995 7.822 710 H ASN 88 H ASN 88 2.969 -6.855 8.844 711 HA ASN 88 HA ASN 88 4.032 -5.121 10.972 712 HB2 ASN 88 2HB ASN 88 5.406 -7.052 10.266 713 HB3 ASN 88 3HB ASN 88 5.388 -6.499 8.594 714 HD21 ASN 88 1HD2 ASN 88 7.639 -6.327 8.457 715 HD22 ASN 88 2HD2 ASN 88 8.550 -5.138 9.319 716 H VAL 89 H VAL 89 4.653 -3.036 10.613 717 HA VAL 89 HA VAL 89 4.334 -1.849 7.909 718 HB VAL 89 HB VAL 89 2.520 -0.992 9.255 719 HG11 VAL 89 1HG1 VAL 89 2.793 0.147 11.425 720 HG12 VAL 89 2HG1 VAL 89 4.518 -0.229 11.414 721 HG13 VAL 89 3HG1 VAL 89 3.333 -1.534 11.508 722 HG21 VAL 89 3HG2 VAL 89 3.638 0.667 7.810 723 HG22 VAL 89 1HG2 VAL 89 4.699 1.133 9.141 724 HG23 VAL 89 2HG2 VAL 89 2.963 1.438 9.246 725 H THR 90 H THR 90 6.133 -0.846 7.151 726 HA THR 90 HA THR 90 8.294 -0.102 9.036 727 HB THR 90 HB THR 90 8.732 -1.426 6.310 728 HG1 THR 90 HG1 THR 90 8.191 -2.508 8.761 729 HG21 THR 90 3HG2 THR 90 10.699 -0.815 8.565 730 HG22 THR 90 1HG2 THR 90 10.616 0.037 7.015 731 HG23 THR 90 2HG2 THR 90 11.079 -1.663 7.066 732 H TRP 91 H TRP 91 8.099 2.064 8.979 733 HA TRP 91 HA TRP 91 7.602 3.620 6.595 734 HB2 TRP 91 2HB TRP 91 8.419 4.391 9.438 735 HB3 TRP 91 3HB TRP 91 8.144 5.573 8.165 736 HD1 TRP 91 HD1 TRP 91 5.568 5.781 7.246 737 HE1 TRP 91 HE1 TRP 91 3.338 5.434 8.461 738 HE3 TRP 91 HE3 TRP 91 7.208 3.061 11.267 739 HZ2 TRP 91 HZ2 TRP 91 2.375 4.223 10.795 740 HZ3 TRP 91 HZ3 TRP 91 5.555 2.352 12.955 741 HH2 TRP 91 HH2 TRP 91 3.185 2.922 12.723 742 H ASP 92 H ASP 92 9.218 3.576 5.083 743 HA ASP 92 HA ASP 92 12.044 3.724 5.762 744 HB2 ASP 92 2HB ASP 92 10.552 3.834 3.098 745 HB3 ASP 92 3HB ASP 92 12.303 4.006 3.215 746 H GLY 93 H GLY 93 9.552 5.970 5.658 747 HA2 GLY 93 2HA GLY 93 10.263 8.173 6.566 748 HA3 GLY 93 3HA GLY 93 11.390 8.263 5.218 749 H ASP 94 H ASP 94 10.694 9.044 3.304 750 HA ASP 94 HA ASP 94 8.089 10.292 3.116 751 HB2 ASP 94 2HB ASP 94 10.462 10.159 1.211 752 HB3 ASP 94 3HB ASP 94 8.989 11.048 0.844 753 H THR 95 H THR 95 9.027 7.177 2.560 754 HA THR 95 HA THR 95 6.570 6.658 1.052 755 HB THR 95 HB THR 95 9.156 5.146 0.399 756 HG1 THR 95 HG1 THR 95 8.053 7.488 -0.766 757 HG21 THR 95 3HG2 THR 95 7.049 3.957 -0.147 758 HG22 THR 95 1HG2 THR 95 7.920 4.430 -1.610 759 HG23 THR 95 2HG2 THR 95 6.506 5.350 -1.087 760 H VAL 96 H VAL 96 5.426 5.091 2.063 761 HA VAL 96 HA VAL 96 6.553 3.684 4.390 762 HB VAL 96 HB VAL 96 4.232 3.188 5.006 763 HG11 VAL 96 1HG1 VAL 96 3.356 5.483 5.266 764 HG12 VAL 96 2HG1 VAL 96 4.482 6.067 4.039 765 HG13 VAL 96 3HG1 VAL 96 5.091 5.427 5.566 766 HG21 VAL 96 3HG2 VAL 96 2.277 3.898 3.640 767 HG22 VAL 96 1HG2 VAL 96 3.263 2.722 2.768 768 HG23 VAL 96 2HG2 VAL 96 3.362 4.431 2.350 769 H THR 97 H THR 97 6.591 1.395 4.518 770 HA THR 97 HA THR 97 5.808 -0.167 2.131 771 HB THR 97 HB THR 97 8.518 -0.463 3.531 772 HG1 THR 97 HG1 THR 97 8.803 1.279 2.303 773 HG21 THR 97 3HG2 THR 97 7.405 -1.813 1.031 774 HG22 THR 97 1HG2 THR 97 7.701 -2.600 2.585 775 HG23 THR 97 2HG2 THR 97 9.054 -1.980 1.637 776 H VAL 98 H VAL 98 4.270 -1.430 2.960 777 HA VAL 98 HA VAL 98 4.538 -2.581 5.671 778 HB VAL 98 HB VAL 98 2.114 -1.991 3.925 779 HG11 VAL 98 1HG1 VAL 98 2.084 -3.481 6.569 780 HG12 VAL 98 2HG1 VAL 98 1.717 -4.182 4.993 781 HG13 VAL 98 3HG1 VAL 98 0.666 -2.938 5.669 782 HG21 VAL 98 3HG2 VAL 98 2.932 -1.002 6.688 783 HG22 VAL 98 1HG2 VAL 98 1.459 -0.545 5.831 784 HG23 VAL 98 2HG2 VAL 98 3.033 -0.078 5.187 785 H GLU 99 H GLU 99 4.386 -4.697 6.014 786 HA GLU 99 HA GLU 99 4.551 -6.578 3.743 787 HB2 GLU 99 2HB GLU 99 6.783 -6.181 4.546 788 HB3 GLU 99 3HB GLU 99 6.281 -6.270 6.227 789 HG2 GLU 99 2HG GLU 99 7.539 -8.226 5.672 790 HG3 GLU 99 3HG GLU 99 5.874 -8.702 5.957 791 H GLY 100 H GLY 100 3.309 -8.386 3.990 792 HA2 GLY 100 2HA GLY 100 1.718 -8.730 6.478 793 HA3 GLY 100 3HA GLY 100 1.334 -9.375 4.888 794 H GLN 101 H GLN 101 2.924 -9.974 7.850 795 HA GLN 101 HA GLN 101 4.767 -11.979 6.945 796 HB2 GLN 101 2HB GLN 101 5.221 -12.411 9.359 797 HB3 GLN 101 3HB GLN 101 5.404 -10.732 8.914 798 HG2 GLN 101 2HG GLN 101 2.786 -11.575 10.109 799 HG3 GLN 101 3HG GLN 101 4.195 -11.480 11.164 800 HE21 GLN 101 1HE2 GLN 101 3.313 -9.765 12.328 801 HE22 GLN 101 2HE2 GLN 101 3.206 -8.167 11.684 802 H LEU 102 H LEU 102 4.815 -14.159 8.099 803 HA LEU 102 HA LEU 102 2.683 -15.729 7.114 804 HB2 LEU 102 2HB LEU 102 4.940 -16.483 9.012 805 HB3 LEU 102 3HB LEU 102 3.894 -17.641 8.200 806 HG LEU 102 HG LEU 102 5.834 -15.741 6.806 807 HD11 LEU 102 1HD1 LEU 102 7.157 -17.726 6.314 808 HD12 LEU 102 2HD1 LEU 102 6.033 -18.739 7.223 809 HD13 LEU 102 3HD1 LEU 102 6.992 -17.511 8.055 810 HD21 LEU 102 3HD2 LEU 102 5.316 -16.999 4.760 811 HD22 LEU 102 1HD2 LEU 102 3.872 -16.216 5.400 812 HD23 LEU 102 2HD2 LEU 102 4.109 -17.952 5.629 813 H GLU 103 H GLU 103 1.255 -17.042 8.215 814 HA GLU 103 HA GLU 103 0.214 -15.946 10.724 815 HB2 GLU 103 2HB GLU 103 -1.869 -17.185 10.214 816 HB3 GLU 103 3HB GLU 103 -1.420 -16.095 8.920 817 HG2 GLU 103 2HG GLU 103 -1.010 -19.102 8.870 818 HG3 GLU 103 3HG GLU 103 -2.370 -18.265 8.135 819 H GLY 104 H GLY 104 2.241 -16.924 11.654 820 HA2 GLY 104 2HA GLY 104 2.204 -19.774 12.293 821 HA3 GLY 104 3HA GLY 104 3.357 -18.570 12.845 822 H VAL 105 H VAL 105 0.339 -17.320 13.365 823 HA VAL 105 HA VAL 105 0.352 -18.049 16.219 824 HB VAL 105 HB VAL 105 -1.103 -16.071 16.546 825 HG11 VAL 105 1HG1 VAL 105 1.411 -15.394 14.962 826 HG12 VAL 105 2HG1 VAL 105 1.319 -15.722 16.695 827 HG13 VAL 105 3HG1 VAL 105 0.536 -14.289 16.029 828 HG21 VAL 105 3HG2 VAL 105 -2.328 -16.039 14.417 829 HG22 VAL 105 1HG2 VAL 105 -0.860 -15.590 13.545 830 HG23 VAL 105 2HG2 VAL 105 -1.579 -14.468 14.705 831 H ASP 106 H ASP 106 -1.452 -18.958 17.207 832 HA ASP 106 HA ASP 106 -3.990 -19.288 15.841 833 HB2 ASP 106 2HB ASP 106 -2.802 -21.222 14.896 834 HB3 ASP 106 3HB ASP 106 -2.261 -21.726 16.498 Start of MODEL 8 1 H1 MET 1 1H MET 1 -15.141 34.001 -10.085 2 H2 MET 1 2H MET 1 -14.261 35.427 -9.886 3 H3 MET 1 3H MET 1 -15.898 35.494 -10.286 4 HA MET 1 HA MET 1 -15.512 36.030 -7.979 5 HB2 MET 1 2HB MET 1 -17.655 35.038 -8.686 6 HB3 MET 1 3HB MET 1 -16.994 33.422 -8.499 7 HG2 MET 1 2HG MET 1 -17.173 35.290 -6.135 8 HG3 MET 1 3HG MET 1 -18.565 34.349 -6.661 9 HE1 MET 1 3HE MET 1 -18.695 31.690 -6.550 10 HE2 MET 1 1HE MET 1 -17.326 30.669 -6.106 11 HE3 MET 1 2HE MET 1 -17.286 31.594 -7.606 12 H HIS 2 H HIS 2 -15.096 32.461 -8.302 13 HA HIS 2 HA HIS 2 -12.395 32.662 -7.179 14 HB2 HIS 2 2HB HIS 2 -14.595 30.979 -5.902 15 HB3 HIS 2 3HB HIS 2 -12.895 30.575 -5.698 16 HD1 HIS 2 HD1 HIS 2 -15.496 32.333 -4.026 17 HD2 HIS 2 HD2 HIS 2 -11.432 33.030 -4.606 18 HE1 HIS 2 HE1 HIS 2 -14.818 33.949 -2.223 19 HE2 HIS 2 HE2 HIS 2 -12.407 34.461 -2.692 20 H HIS 3 H HIS 3 -11.018 31.329 -8.224 21 HA HIS 3 HA HIS 3 -12.022 28.983 -9.699 22 HB2 HIS 3 2HB HIS 3 -11.989 30.830 -11.349 23 HB3 HIS 3 3HB HIS 3 -10.326 31.221 -10.921 24 HD1 HIS 3 HD1 HIS 3 -8.736 30.376 -12.610 25 HD2 HIS 3 HD2 HIS 3 -12.051 27.884 -12.318 26 HE1 HIS 3 HE1 HIS 3 -8.379 28.573 -14.317 27 HE2 HIS 3 HE2 HIS 3 -10.488 27.225 -14.260 28 H HIS 4 H HIS 4 -10.989 27.473 -8.532 29 HA HIS 4 HA HIS 4 -8.108 27.267 -8.616 30 HB2 HIS 4 2HB HIS 4 -8.513 28.688 -6.569 31 HB3 HIS 4 3HB HIS 4 -9.502 27.401 -5.891 32 HD1 HIS 4 HD1 HIS 4 -5.937 27.950 -7.084 33 HD2 HIS 4 HD2 HIS 4 -8.070 25.605 -4.393 34 HE1 HIS 4 HE1 HIS 4 -4.222 26.596 -5.863 35 HE2 HIS 4 HE2 HIS 4 -5.553 25.046 -4.414 36 H HIS 5 H HIS 5 -7.384 25.117 -8.048 37 HA HIS 5 HA HIS 5 -9.516 23.054 -7.916 38 HB2 HIS 5 2HB HIS 5 -7.091 23.048 -9.772 39 HB3 HIS 5 3HB HIS 5 -8.221 21.709 -9.581 40 HD1 HIS 5 HD1 HIS 5 -10.595 22.002 -10.644 41 HD2 HIS 5 HD2 HIS 5 -7.996 25.153 -11.400 42 HE1 HIS 5 HE1 HIS 5 -11.674 23.351 -12.462 43 HE2 HIS 5 HE2 HIS 5 -9.979 25.103 -13.043 44 H HIS 6 H HIS 6 -8.862 21.042 -7.013 45 HA HIS 6 HA HIS 6 -6.685 21.250 -5.026 46 HB2 HIS 6 2HB HIS 6 -9.058 19.335 -5.226 47 HB3 HIS 6 3HB HIS 6 -7.836 19.274 -3.958 48 HD1 HIS 6 HD1 HIS 6 -10.812 21.240 -5.096 49 HD2 HIS 6 HD2 HIS 6 -8.059 21.280 -1.981 50 HE1 HIS 6 HE1 HIS 6 -11.731 22.842 -3.396 51 HE2 HIS 6 HE2 HIS 6 -9.981 22.956 -1.604 52 H HIS 7 H HIS 7 -4.838 20.115 -5.285 53 HA HIS 7 HA HIS 7 -4.718 17.647 -6.853 54 HB2 HIS 7 2HB HIS 7 -2.984 18.440 -8.364 55 HB3 HIS 7 3HB HIS 7 -4.368 19.511 -8.506 56 HD1 HIS 7 HD1 HIS 7 -4.037 21.974 -7.731 57 HD2 HIS 7 HD2 HIS 7 -0.634 19.620 -7.310 58 HE1 HIS 7 HE1 HIS 7 -2.135 23.576 -7.335 59 HE2 HIS 7 HE2 HIS 7 -0.159 22.112 -6.857 60 H ARG 8 H ARG 8 -2.292 16.881 -6.882 61 HA ARG 8 HA ARG 8 -0.961 17.518 -4.318 62 HB2 ARG 8 2HB ARG 8 -1.592 14.765 -5.447 63 HB3 ARG 8 3HB ARG 8 -0.311 15.009 -4.261 64 HG2 ARG 8 2HG ARG 8 -1.970 15.972 -2.692 65 HG3 ARG 8 3HG ARG 8 -3.251 15.656 -3.863 66 HD2 ARG 8 2HD ARG 8 -3.035 13.303 -3.606 67 HD3 ARG 8 3HD ARG 8 -1.480 13.447 -2.777 68 HE ARG 8 HE ARG 8 -4.112 14.214 -1.645 69 HH11 ARG 8 1HH1 ARG 8 -0.778 13.199 -1.194 70 HH12 ARG 8 2HH1 ARG 8 -0.930 13.056 0.530 71 HH21 ARG 8 1HH2 ARG 8 -4.261 14.108 0.639 72 HH22 ARG 8 2HH2 ARG 8 -2.884 13.570 1.551 73 H SER 9 H SER 9 0.725 18.653 -5.025 74 HA SER 9 HA SER 9 2.422 17.930 -7.216 75 HB2 SER 9 2HB SER 9 2.216 20.282 -6.311 76 HB3 SER 9 3HB SER 9 3.035 19.757 -4.839 77 HG SER 9 HG SER 9 4.796 19.103 -6.295 78 H GLY 10 H GLY 10 3.654 16.132 -7.157 79 HA2 GLY 10 2HA GLY 10 5.136 14.518 -6.277 80 HA3 GLY 10 3HA GLY 10 4.813 15.101 -4.646 81 H ASP 11 H ASP 11 3.451 13.415 -7.385 82 HA ASP 11 HA ASP 11 0.950 12.709 -6.280 83 HB2 ASP 11 2HB ASP 11 2.458 11.340 -8.556 84 HB3 ASP 11 3HB ASP 11 0.726 11.247 -8.254 85 H ILE 12 H ILE 12 0.205 10.722 -5.552 86 HA ILE 12 HA ILE 12 1.981 9.260 -3.810 87 HB ILE 12 HB ILE 12 -0.963 8.752 -4.475 88 HG12 ILE 12 2HG1 ILE 12 0.135 10.400 -2.143 89 HG13 ILE 12 3HG1 ILE 12 -0.520 11.100 -3.616 90 HG21 ILE 12 1HG2 ILE 12 0.069 6.841 -3.371 91 HG22 ILE 12 2HG2 ILE 12 -1.033 7.647 -2.259 92 HG23 ILE 12 3HG2 ILE 12 0.706 7.879 -2.092 93 HD11 ILE 12 3HD1 ILE 12 -2.126 11.147 -1.800 94 HD12 ILE 12 1HD1 ILE 12 -2.063 9.390 -1.665 95 HD13 ILE 12 2HD1 ILE 12 -2.706 10.144 -3.128 96 H GLN 13 H GLN 13 3.366 7.869 -4.899 97 HA GLN 13 HA GLN 13 2.331 6.078 -6.996 98 HB2 GLN 13 2HB GLN 13 4.394 7.374 -7.495 99 HB3 GLN 13 3HB GLN 13 5.209 6.613 -6.132 100 HG2 GLN 13 2HG GLN 13 4.858 4.377 -7.273 101 HG3 GLN 13 3HG GLN 13 4.228 5.254 -8.669 102 HE21 GLN 13 1HE2 GLN 13 5.899 4.434 -10.002 103 HE22 GLN 13 2HE2 GLN 13 7.531 4.982 -9.874 104 H VAL 14 H VAL 14 1.684 4.152 -6.390 105 HA VAL 14 HA VAL 14 2.605 2.796 -3.952 106 HB VAL 14 HB VAL 14 0.450 2.008 -5.992 107 HG11 VAL 14 1HG1 VAL 14 1.362 0.059 -4.789 108 HG12 VAL 14 2HG1 VAL 14 -0.303 0.381 -4.305 109 HG13 VAL 14 3HG1 VAL 14 1.029 0.845 -3.242 110 HG21 VAL 14 3HG2 VAL 14 -0.156 4.089 -4.832 111 HG22 VAL 14 1HG2 VAL 14 0.135 3.328 -3.264 112 HG23 VAL 14 2HG2 VAL 14 -1.190 2.767 -4.287 113 H GLN 15 H GLN 15 4.177 1.208 -4.087 114 HA GLN 15 HA GLN 15 4.663 -0.218 -6.644 115 HB2 GLN 15 2HB GLN 15 6.840 0.884 -4.787 116 HB3 GLN 15 3HB GLN 15 7.115 -0.086 -6.232 117 HG2 GLN 15 2HG GLN 15 6.191 1.710 -7.620 118 HG3 GLN 15 3HG GLN 15 5.892 2.682 -6.183 119 HE21 GLN 15 1HE2 GLN 15 7.675 3.601 -5.092 120 HE22 GLN 15 2HE2 GLN 15 9.219 3.760 -5.850 121 H ASN 16 H ASN 16 4.039 -2.296 -6.130 122 HA ASN 16 HA ASN 16 4.918 -3.455 -3.545 123 HB2 ASN 16 2HB ASN 16 2.511 -3.670 -3.957 124 HB3 ASN 16 3HB ASN 16 2.796 -4.426 -5.514 125 HD21 ASN 16 1HD2 ASN 16 3.008 -4.864 -2.062 126 HD22 ASN 16 2HD2 ASN 16 3.056 -6.587 -2.075 127 H ASN 17 H ASN 17 6.672 -4.684 -3.569 128 HA ASN 17 HA ASN 17 7.595 -6.050 -6.026 129 HB2 ASN 17 2HB ASN 17 9.271 -4.580 -4.946 130 HB3 ASN 17 3HB ASN 17 9.069 -5.433 -3.419 131 HD21 ASN 17 1HD2 ASN 17 10.026 -7.513 -3.177 132 HD22 ASN 17 2HD2 ASN 17 11.200 -8.107 -4.297 133 H ASN 18 H ASN 18 7.221 -8.161 -6.165 134 HA ASN 18 HA ASN 18 6.708 -9.768 -3.726 135 HB2 ASN 18 2HB ASN 18 5.283 -11.222 -5.147 136 HB3 ASN 18 3HB ASN 18 4.705 -9.562 -5.158 137 HD21 ASN 18 1HD2 ASN 18 5.147 -8.266 -7.062 138 HD22 ASN 18 2HD2 ASN 18 5.325 -9.037 -8.602 139 H THR 19 H THR 19 8.193 -11.294 -3.282 140 HA THR 19 HA THR 19 10.385 -11.801 -5.167 141 HB THR 19 HB THR 19 10.177 -12.478 -2.188 142 HG1 THR 19 HG1 THR 19 11.059 -10.210 -3.605 143 HG21 THR 19 3HG2 THR 19 12.633 -12.737 -2.279 144 HG22 THR 19 1HG2 THR 19 12.612 -12.422 -4.017 145 HG23 THR 19 2HG2 THR 19 11.854 -13.880 -3.375 146 H CYS 20 H CYS 20 10.141 -13.490 -6.437 147 HA CYS 20 HA CYS 20 9.813 -16.174 -5.804 148 HB2 CYS 20 2HB CYS 20 7.473 -16.541 -6.777 149 HB3 CYS 20 3HB CYS 20 7.498 -15.800 -5.183 150 H ASN 21 H ASN 21 9.420 -17.501 -7.869 151 HA ASN 21 HA ASN 21 10.904 -16.374 -10.056 152 HB2 ASN 21 2HB ASN 21 9.445 -19.042 -9.806 153 HB3 ASN 21 3HB ASN 21 10.406 -18.578 -11.209 154 HD21 ASN 21 1HD2 ASN 21 11.951 -20.166 -10.976 155 HD22 ASN 21 2HD2 ASN 21 13.072 -20.224 -9.663 156 H GLY 22 H GLY 22 9.808 -14.650 -10.863 157 HA2 GLY 22 2HA GLY 22 7.743 -15.085 -12.807 158 HA3 GLY 22 3HA GLY 22 7.156 -14.214 -11.390 159 H LYS 23 H LYS 23 6.874 -12.733 -13.455 160 HA LYS 23 HA LYS 23 9.183 -10.876 -13.659 161 HB2 LYS 23 2HB LYS 23 9.049 -12.504 -15.627 162 HB3 LYS 23 3HB LYS 23 7.478 -11.819 -16.019 163 HG2 LYS 23 2HG LYS 23 8.644 -9.571 -16.309 164 HG3 LYS 23 3HG LYS 23 10.179 -10.424 -16.119 165 HD2 LYS 23 2HD LYS 23 9.677 -10.091 -18.505 166 HD3 LYS 23 3HD LYS 23 9.651 -11.812 -18.118 167 HE2 LYS 23 2HE LYS 23 7.187 -11.769 -18.040 168 HE3 LYS 23 3HE LYS 23 7.191 -10.034 -18.368 169 HZ1 LYS 23 3HZ LYS 23 8.194 -10.484 -20.527 170 HZ2 LYS 23 1HZ LYS 23 6.735 -11.313 -20.360 171 HZ3 LYS 23 2HZ LYS 23 8.199 -12.148 -20.214 172 H THR 24 H THR 24 6.129 -11.158 -12.569 173 HA THR 24 HA THR 24 4.846 -8.889 -13.868 174 HB THR 24 HB THR 24 3.845 -10.463 -11.450 175 HG1 THR 24 HG1 THR 24 3.265 -10.911 -14.214 176 HG21 THR 24 3HG2 THR 24 1.612 -9.726 -12.191 177 HG22 THR 24 1HG2 THR 24 2.322 -8.821 -13.529 178 HG23 THR 24 2HG2 THR 24 2.628 -8.324 -11.861 179 H PHE 25 H PHE 25 5.978 -7.062 -13.349 180 HA PHE 25 HA PHE 25 6.038 -6.138 -10.517 181 HB2 PHE 25 2HB PHE 25 7.842 -5.320 -12.856 182 HB3 PHE 25 3HB PHE 25 7.904 -4.610 -11.243 183 HD1 PHE 25 HD1 PHE 25 8.538 -6.100 -9.263 184 HD2 PHE 25 HD2 PHE 25 9.027 -7.376 -13.326 185 HE1 PHE 25 HE1 PHE 25 10.092 -7.869 -8.532 186 HE2 PHE 25 HE2 PHE 25 10.581 -9.136 -12.572 187 HZ PHE 25 HZ PHE 25 11.107 -9.381 -10.182 188 H ASP 26 H ASP 26 3.924 -6.108 -12.616 189 HA ASP 26 HA ASP 26 3.397 -3.390 -13.384 190 HB2 ASP 26 2HB ASP 26 1.561 -5.833 -13.344 191 HB3 ASP 26 3HB ASP 26 1.203 -4.299 -14.137 192 H TYR 27 H TYR 27 3.436 -4.618 -10.428 193 HA TYR 27 HA TYR 27 1.023 -3.733 -9.189 194 HB2 TYR 27 2HB TYR 27 3.777 -4.406 -8.064 195 HB3 TYR 27 3HB TYR 27 2.342 -4.138 -7.088 196 HD1 TYR 27 HD1 TYR 27 3.703 -6.412 -9.762 197 HD2 TYR 27 HD2 TYR 27 0.948 -5.991 -6.528 198 HE1 TYR 27 HE1 TYR 27 3.183 -8.809 -9.870 199 HE2 TYR 27 HE2 TYR 27 0.429 -8.393 -6.659 200 HH TYR 27 HH TYR 27 2.306 -10.579 -8.335 201 H THR 28 H THR 28 3.373 -1.893 -10.621 202 HA THR 28 HA THR 28 3.508 0.249 -8.629 203 HB THR 28 HB THR 28 4.820 -0.008 -11.373 204 HG1 THR 28 HG1 THR 28 5.764 -1.510 -10.068 205 HG21 THR 28 3HG2 THR 28 6.340 1.812 -10.540 206 HG22 THR 28 1HG2 THR 28 5.289 2.005 -9.134 207 HG23 THR 28 2HG2 THR 28 4.672 2.351 -10.750 208 H TYR 29 H TYR 29 1.983 1.809 -8.636 209 HA TYR 29 HA TYR 29 0.757 2.770 -11.156 210 HB2 TYR 29 2HB TYR 29 -0.743 2.422 -8.506 211 HB3 TYR 29 3HB TYR 29 -1.419 2.988 -10.030 212 HD1 TYR 29 HD1 TYR 29 -1.912 1.361 -11.869 213 HD2 TYR 29 HD2 TYR 29 -0.336 0.051 -8.115 214 HE1 TYR 29 HE1 TYR 29 -2.527 -0.965 -12.411 215 HE2 TYR 29 HE2 TYR 29 -0.947 -2.251 -8.667 216 HH TYR 29 HH TYR 29 -1.843 -3.256 -11.759 217 H THR 30 H THR 30 0.008 5.026 -11.007 218 HA THR 30 HA THR 30 1.067 6.605 -8.727 219 HB THR 30 HB THR 30 1.278 7.408 -11.676 220 HG1 THR 30 HG1 THR 30 2.877 5.882 -10.173 221 HG21 THR 30 3HG2 THR 30 2.280 8.840 -9.170 222 HG22 THR 30 1HG2 THR 30 0.965 9.389 -10.217 223 HG23 THR 30 2HG2 THR 30 2.617 9.326 -10.833 224 H VAL 31 H VAL 31 -0.696 7.372 -7.729 225 HA VAL 31 HA VAL 31 -2.938 8.522 -9.302 226 HB VAL 31 HB VAL 31 -4.436 8.019 -7.380 227 HG11 VAL 31 1HG1 VAL 31 -4.357 6.409 -9.229 228 HG12 VAL 31 2HG1 VAL 31 -4.620 5.570 -7.702 229 HG13 VAL 31 3HG1 VAL 31 -3.023 5.542 -8.459 230 HG21 VAL 31 3HG2 VAL 31 -2.795 8.006 -5.547 231 HG22 VAL 31 1HG2 VAL 31 -2.063 6.530 -6.178 232 HG23 VAL 31 2HG2 VAL 31 -3.715 6.503 -5.551 233 H THR 32 H THR 32 -3.655 10.595 -8.724 234 HA THR 32 HA THR 32 -1.964 12.108 -6.833 235 HB THR 32 HB THR 32 -2.332 12.956 -9.206 236 HG1 THR 32 HG1 THR 32 -1.581 14.385 -7.693 237 HG21 THR 32 3HG2 THR 32 -4.408 14.183 -9.704 238 HG22 THR 32 1HG2 THR 32 -5.104 13.682 -8.162 239 HG23 THR 32 2HG2 THR 32 -4.764 12.480 -9.409 240 H THR 33 H THR 33 -4.813 10.429 -6.721 241 HA THR 33 HA THR 33 -6.019 12.194 -4.665 242 HB THR 33 HB THR 33 -7.555 10.346 -6.561 243 HG1 THR 33 HG1 THR 33 -6.733 12.012 -7.785 244 HG21 THR 33 3HG2 THR 33 -9.541 11.592 -5.788 245 HG22 THR 33 1HG2 THR 33 -8.539 12.556 -4.698 246 HG23 THR 33 2HG2 THR 33 -8.732 10.822 -4.424 247 H GLU 34 H GLU 34 -6.572 11.268 -2.776 248 HA GLU 34 HA GLU 34 -5.458 8.813 -1.919 249 HB2 GLU 34 2HB GLU 34 -7.596 10.513 -0.554 250 HB3 GLU 34 3HB GLU 34 -6.598 9.281 0.219 251 HG2 GLU 34 2HG GLU 34 -4.601 10.598 -0.103 252 HG3 GLU 34 3HG GLU 34 -5.480 11.779 -1.074 253 H SER 35 H SER 35 -8.674 9.725 -3.017 254 HA SER 35 HA SER 35 -10.167 7.463 -2.366 255 HB2 SER 35 2HB SER 35 -10.420 9.174 -4.888 256 HB3 SER 35 3HB SER 35 -11.672 8.144 -4.189 257 HG SER 35 HG SER 35 -11.806 9.477 -2.445 258 H GLU 36 H GLU 36 -8.346 8.175 -5.347 259 HA GLU 36 HA GLU 36 -8.894 5.721 -6.637 260 HB2 GLU 36 2HB GLU 36 -6.689 7.739 -7.248 261 HB3 GLU 36 3HB GLU 36 -7.261 6.470 -8.329 262 HG2 GLU 36 2HG GLU 36 -8.814 8.888 -7.370 263 HG3 GLU 36 3HG GLU 36 -8.233 8.578 -9.003 264 H LEU 37 H LEU 37 -6.424 6.647 -4.378 265 HA LEU 37 HA LEU 37 -4.590 4.520 -4.683 266 HB2 LEU 37 2HB LEU 37 -4.560 6.707 -3.193 267 HB3 LEU 37 3HB LEU 37 -5.357 5.717 -1.991 268 HG LEU 37 HG LEU 37 -2.545 5.350 -3.118 269 HD11 LEU 37 1HD1 LEU 37 -3.503 6.048 -0.328 270 HD12 LEU 37 2HD1 LEU 37 -2.750 7.144 -1.492 271 HD13 LEU 37 3HD1 LEU 37 -1.825 5.803 -0.829 272 HD21 LEU 37 3HD2 LEU 37 -3.468 3.115 -2.731 273 HD22 LEU 37 1HD2 LEU 37 -3.920 3.566 -1.085 274 HD23 LEU 37 2HD2 LEU 37 -2.219 3.500 -1.553 275 H GLN 38 H GLN 38 -7.487 4.905 -2.637 276 HA GLN 38 HA GLN 38 -7.462 2.373 -1.388 277 HB2 GLN 38 2HB GLN 38 -9.823 4.244 -1.865 278 HB3 GLN 38 3HB GLN 38 -9.783 2.920 -0.702 279 HG2 GLN 38 2HG GLN 38 -8.080 4.035 0.606 280 HG3 GLN 38 3HG GLN 38 -7.913 5.301 -0.609 281 HE21 GLN 38 1HE2 GLN 38 -8.564 5.599 2.212 282 HE22 GLN 38 2HE2 GLN 38 -10.095 6.399 2.273 283 H LYS 39 H LYS 39 -8.999 3.502 -4.401 284 HA LYS 39 HA LYS 39 -10.421 1.139 -5.064 285 HB2 LYS 39 2HB LYS 39 -9.268 3.380 -6.768 286 HB3 LYS 39 3HB LYS 39 -9.926 1.950 -7.544 287 HG2 LYS 39 2HG LYS 39 -11.635 3.567 -7.612 288 HG3 LYS 39 3HG LYS 39 -12.115 2.422 -6.356 289 HD2 LYS 39 2HD LYS 39 -11.414 3.989 -4.614 290 HD3 LYS 39 3HD LYS 39 -10.763 5.094 -5.828 291 HE2 LYS 39 2HE LYS 39 -13.691 4.353 -5.502 292 HE3 LYS 39 3HE LYS 39 -12.940 5.870 -4.999 293 HZ1 LYS 39 3HZ LYS 39 -13.190 4.875 -7.787 294 HZ2 LYS 39 1HZ LYS 39 -12.383 6.291 -7.337 295 HZ3 LYS 39 2HZ LYS 39 -14.045 6.157 -7.091 296 H VAL 40 H VAL 40 -7.147 2.250 -6.058 297 HA VAL 40 HA VAL 40 -6.755 0.013 -7.760 298 HB VAL 40 HB VAL 40 -5.763 2.356 -8.045 299 HG11 VAL 40 1HG1 VAL 40 -3.553 2.829 -7.089 300 HG12 VAL 40 2HG1 VAL 40 -3.633 1.345 -6.136 301 HG13 VAL 40 3HG1 VAL 40 -4.776 2.652 -5.826 302 HG21 VAL 40 3HG2 VAL 40 -3.778 1.548 -9.253 303 HG22 VAL 40 1HG2 VAL 40 -5.169 0.498 -9.527 304 HG23 VAL 40 2HG2 VAL 40 -3.887 -0.006 -8.421 305 H LEU 41 H LEU 41 -6.001 0.552 -4.408 306 HA LEU 41 HA LEU 41 -4.085 -1.540 -4.089 307 HB2 LEU 41 2HB LEU 41 -5.201 0.542 -2.478 308 HB3 LEU 41 3HB LEU 41 -5.612 -0.941 -1.641 309 HG LEU 41 HG LEU 41 -3.527 0.001 -0.793 310 HD11 LEU 41 1HD1 LEU 41 -2.038 -1.972 -0.971 311 HD12 LEU 41 2HD1 LEU 41 -3.043 -2.608 -2.274 312 HD13 LEU 41 3HD1 LEU 41 -3.712 -2.409 -0.653 313 HD21 LEU 41 3HD2 LEU 41 -1.486 0.190 -2.128 314 HD22 LEU 41 1HD2 LEU 41 -2.765 1.193 -2.807 315 HD23 LEU 41 2HD2 LEU 41 -2.349 -0.341 -3.573 316 H ASN 42 H ASN 42 -7.582 -1.286 -3.705 317 HA ASN 42 HA ASN 42 -8.027 -3.959 -2.757 318 HB2 ASN 42 2HB ASN 42 -9.570 -1.991 -2.322 319 HB3 ASN 42 3HB ASN 42 -10.039 -2.027 -4.018 320 HD21 ASN 42 1HD2 ASN 42 -11.290 -3.824 -4.766 321 HD22 ASN 42 2HD2 ASN 42 -12.190 -4.803 -3.665 322 H GLU 43 H GLU 43 -7.829 -2.421 -5.925 323 HA GLU 43 HA GLU 43 -8.739 -4.686 -7.454 324 HB2 GLU 43 2HB GLU 43 -7.048 -2.276 -8.264 325 HB3 GLU 43 3HB GLU 43 -7.728 -3.449 -9.387 326 HG2 GLU 43 2HG GLU 43 -9.337 -1.629 -7.572 327 HG3 GLU 43 3HG GLU 43 -9.017 -1.340 -9.278 328 H LEU 44 H LEU 44 -5.601 -3.430 -6.363 329 HA LEU 44 HA LEU 44 -3.982 -5.296 -7.784 330 HB2 LEU 44 2HB LEU 44 -3.240 -3.030 -6.903 331 HB3 LEU 44 3HB LEU 44 -3.219 -3.724 -5.290 332 HG LEU 44 HG LEU 44 -1.453 -5.324 -5.985 333 HD11 LEU 44 1HD1 LEU 44 -1.672 -3.992 -8.700 334 HD12 LEU 44 2HD1 LEU 44 -1.990 -5.678 -8.300 335 HD13 LEU 44 3HD1 LEU 44 -0.351 -5.050 -8.208 336 HD21 LEU 44 3HD2 LEU 44 0.400 -3.719 -6.256 337 HD22 LEU 44 1HD2 LEU 44 -0.751 -3.182 -5.032 338 HD23 LEU 44 2HD2 LEU 44 -0.754 -2.437 -6.631 339 H LYS 45 H LYS 45 -5.677 -5.349 -4.766 340 HA LYS 45 HA LYS 45 -4.534 -7.414 -3.333 341 HB2 LYS 45 2HB LYS 45 -6.358 -6.053 -2.474 342 HB3 LYS 45 3HB LYS 45 -7.459 -6.670 -3.697 343 HG2 LYS 45 2HG LYS 45 -7.386 -8.905 -2.659 344 HG3 LYS 45 3HG LYS 45 -6.219 -8.320 -1.468 345 HD2 LYS 45 2HD LYS 45 -8.510 -8.419 -0.527 346 HD3 LYS 45 3HD LYS 45 -7.887 -6.767 -0.544 347 HE2 LYS 45 2HE LYS 45 -9.194 -6.297 -2.590 348 HE3 LYS 45 3HE LYS 45 -9.813 -7.952 -2.578 349 HZ1 LYS 45 3HZ LYS 45 -11.355 -6.318 -1.607 350 HZ2 LYS 45 1HZ LYS 45 -10.230 -5.984 -0.392 351 HZ3 LYS 45 2HZ LYS 45 -10.912 -7.522 -0.509 352 H ASP 46 H ASP 46 -6.784 -7.575 -6.078 353 HA ASP 46 HA ASP 46 -7.294 -10.324 -6.194 354 HB2 ASP 46 2HB ASP 46 -8.557 -8.708 -7.544 355 HB3 ASP 46 3HB ASP 46 -7.114 -8.269 -8.445 356 H TYR 47 H TYR 47 -4.658 -8.414 -7.620 357 HA TYR 47 HA TYR 47 -3.400 -10.526 -9.038 358 HB2 TYR 47 2HB TYR 47 -2.278 -7.852 -8.053 359 HB3 TYR 47 3HB TYR 47 -1.402 -8.952 -9.114 360 HD1 TYR 47 HD2 TYR 47 -4.410 -6.752 -8.903 361 HD2 TYR 47 HD1 TYR 47 -1.853 -9.002 -11.487 362 HE1 TYR 47 HE2 TYR 47 -5.464 -5.700 -10.860 363 HE2 TYR 47 HE1 TYR 47 -2.911 -7.948 -13.443 364 HH TYR 47 HH TYR 47 -4.948 -6.835 -14.059 365 H ILE 48 H ILE 48 -2.582 -8.962 -5.915 366 HA ILE 48 HA ILE 48 -0.294 -10.450 -5.285 367 HB ILE 48 HB ILE 48 -2.236 -9.108 -3.319 368 HG12 ILE 48 2HG1 ILE 48 0.280 -7.939 -4.626 369 HG13 ILE 48 3HG1 ILE 48 -1.368 -7.553 -5.103 370 HG21 ILE 48 1HG2 ILE 48 -0.305 -8.967 -1.771 371 HG22 ILE 48 2HG2 ILE 48 0.692 -9.858 -2.922 372 HG23 ILE 48 3HG2 ILE 48 -0.689 -10.648 -2.160 373 HD11 ILE 48 3HD1 ILE 48 -0.443 -5.792 -3.745 374 HD12 ILE 48 1HD1 ILE 48 -0.101 -6.927 -2.436 375 HD13 ILE 48 2HD1 ILE 48 -1.771 -6.575 -2.890 376 H LYS 49 H LYS 49 -3.693 -11.045 -4.541 377 HA LYS 49 HA LYS 49 -3.411 -13.197 -2.689 378 HB2 LYS 49 2HB LYS 49 -5.407 -11.708 -2.892 379 HB3 LYS 49 3HB LYS 49 -5.766 -12.396 -4.470 380 HG2 LYS 49 2HG LYS 49 -6.194 -14.587 -3.416 381 HG3 LYS 49 3HG LYS 49 -5.797 -13.902 -1.833 382 HD2 LYS 49 2HD LYS 49 -7.687 -12.254 -2.144 383 HD3 LYS 49 3HD LYS 49 -8.125 -13.104 -3.630 384 HE2 LYS 49 2HE LYS 49 -8.071 -14.323 -0.853 385 HE3 LYS 49 3HE LYS 49 -9.516 -13.777 -1.706 386 HZ1 LYS 49 3HZ LYS 49 -7.707 -15.955 -2.593 387 HZ2 LYS 49 1HZ LYS 49 -9.098 -15.437 -3.407 388 HZ3 LYS 49 2HZ LYS 49 -9.226 -16.160 -1.886 389 H LYS 50 H LYS 50 -4.089 -13.021 -6.148 390 HA LYS 50 HA LYS 50 -4.512 -15.872 -6.475 391 HB2 LYS 50 2HB LYS 50 -5.874 -14.154 -7.610 392 HB3 LYS 50 3HB LYS 50 -4.456 -13.558 -8.449 393 HG2 LYS 50 2HG LYS 50 -4.349 -15.484 -9.859 394 HG3 LYS 50 3HG LYS 50 -5.473 -16.390 -8.838 395 HD2 LYS 50 2HD LYS 50 -6.533 -15.544 -10.950 396 HD3 LYS 50 3HD LYS 50 -7.331 -14.954 -9.491 397 HE2 LYS 50 2HE LYS 50 -5.983 -12.814 -9.743 398 HE3 LYS 50 3HE LYS 50 -5.447 -13.420 -11.313 399 HZ1 LYS 50 3HZ LYS 50 -7.704 -13.428 -12.082 400 HZ2 LYS 50 1HZ LYS 50 -7.380 -11.905 -11.430 401 HZ3 LYS 50 2HZ LYS 50 -8.297 -13.024 -10.555 402 H GLN 51 H GLN 51 -1.866 -13.661 -6.761 403 HA GLN 51 HA GLN 51 -0.246 -15.210 -8.588 404 HB2 GLN 51 2HB GLN 51 -0.025 -12.700 -8.228 405 HB3 GLN 51 3HB GLN 51 0.651 -13.028 -6.638 406 HG2 GLN 51 2HG GLN 51 2.424 -12.550 -8.237 407 HG3 GLN 51 3HG GLN 51 2.539 -14.223 -7.688 408 HE21 GLN 51 1HE2 GLN 51 0.278 -12.979 -10.127 409 HE22 GLN 51 2HE2 GLN 51 0.958 -13.849 -11.452 410 H GLY 52 H GLY 52 0.796 -17.027 -8.053 411 HA2 GLY 52 2HA GLY 52 1.029 -18.082 -5.393 412 HA3 GLY 52 3HA GLY 52 1.694 -18.776 -6.868 413 H CYS 53 H CYS 53 2.211 -16.306 -4.402 414 HA CYS 53 HA CYS 53 5.121 -16.262 -4.940 415 HB2 CYS 53 2HB CYS 53 3.829 -14.370 -6.138 416 HB3 CYS 53 3HB CYS 53 3.530 -13.702 -4.536 417 H LYS 54 H LYS 54 6.348 -16.066 -3.097 418 HA LYS 54 HA LYS 54 5.063 -16.682 -0.596 419 HB2 LYS 54 2HB LYS 54 7.157 -17.807 -1.208 420 HB3 LYS 54 3HB LYS 54 8.005 -16.265 -1.312 421 HG2 LYS 54 2HG LYS 54 7.667 -15.915 1.114 422 HG3 LYS 54 3HG LYS 54 6.821 -17.464 1.218 423 HD2 LYS 54 2HD LYS 54 8.887 -18.639 0.521 424 HD3 LYS 54 3HD LYS 54 9.727 -17.087 0.393 425 HE2 LYS 54 2HE LYS 54 10.269 -18.222 2.505 426 HE3 LYS 54 3HE LYS 54 9.413 -16.711 2.812 427 HZ1 LYS 54 3HZ LYS 54 7.383 -17.968 3.160 428 HZ2 LYS 54 1HZ LYS 54 8.598 -18.525 4.193 429 HZ3 LYS 54 2HZ LYS 54 8.179 -19.419 2.821 430 H ARG 55 H ARG 55 7.419 -14.104 -1.477 431 HA ARG 55 HA ARG 55 6.659 -12.576 0.943 432 HB2 ARG 55 2HB ARG 55 9.050 -13.177 0.601 433 HB3 ARG 55 3HB ARG 55 9.051 -12.331 -0.937 434 HG2 ARG 55 2HG ARG 55 10.158 -10.976 0.738 435 HG3 ARG 55 3HG ARG 55 8.654 -10.183 0.259 436 HD2 ARG 55 2HD ARG 55 8.985 -10.056 2.678 437 HD3 ARG 55 3HD ARG 55 7.559 -11.031 2.304 438 HE ARG 55 HE ARG 55 9.975 -12.569 2.647 439 HH11 ARG 55 1HH1 ARG 55 7.253 -11.144 4.411 440 HH12 ARG 55 2HH1 ARG 55 7.427 -12.236 5.747 441 HH21 ARG 55 1HH2 ARG 55 10.169 -13.962 4.426 442 HH22 ARG 55 2HH2 ARG 55 9.068 -13.823 5.754 443 H SER 56 H SER 56 5.620 -10.630 0.783 444 HA SER 56 HA SER 56 5.623 -9.134 -1.754 445 HB2 SER 56 2HB SER 56 3.528 -10.544 -1.638 446 HB3 SER 56 3HB SER 56 3.069 -9.699 -0.158 447 HG SER 56 HG SER 56 3.296 -8.696 -2.792 448 H ARG 57 H ARG 57 6.055 -7.008 -1.379 449 HA ARG 57 HA ARG 57 5.452 -5.778 1.234 450 HB2 ARG 57 2HB ARG 57 7.850 -6.617 1.303 451 HB3 ARG 57 3HB ARG 57 8.222 -5.570 -0.062 452 HG2 ARG 57 2HG ARG 57 7.633 -3.582 1.300 453 HG3 ARG 57 3HG ARG 57 7.252 -4.632 2.665 454 HD2 ARG 57 2HD ARG 57 9.413 -3.864 3.156 455 HD3 ARG 57 3HD ARG 57 9.718 -5.453 2.452 456 HE ARG 57 HE ARG 57 9.827 -3.535 0.396 457 HH11 ARG 57 1HH1 ARG 57 11.677 -4.441 3.257 458 HH12 ARG 57 2HH1 ARG 57 13.176 -3.836 2.624 459 HH21 ARG 57 1HH2 ARG 57 11.815 -2.667 -0.388 460 HH22 ARG 57 2HH2 ARG 57 13.258 -2.837 0.572 461 H THR 58 H THR 58 4.471 -3.873 0.892 462 HA THR 58 HA THR 58 4.631 -2.581 -1.760 463 HB THR 58 HB THR 58 2.570 -1.913 0.390 464 HG1 THR 58 HG1 THR 58 2.585 -4.218 -0.129 465 HG21 THR 58 3HG2 THR 58 2.735 -0.375 -1.561 466 HG22 THR 58 1HG2 THR 58 1.206 -1.254 -1.573 467 HG23 THR 58 2HG2 THR 58 2.506 -1.736 -2.663 468 H SER 59 H SER 59 4.938 -0.306 -1.911 469 HA SER 59 HA SER 59 5.776 1.197 0.468 470 HB2 SER 59 2HB SER 59 7.772 0.026 -0.777 471 HB3 SER 59 3HB SER 59 7.508 1.216 -2.048 472 HG SER 59 HG SER 59 7.866 1.916 0.668 473 H ILE 60 H ILE 60 4.705 3.103 0.415 474 HA ILE 60 HA ILE 60 3.539 4.120 -2.125 475 HB ILE 60 HB ILE 60 2.353 4.108 0.696 476 HG12 ILE 60 2HG1 ILE 60 1.479 2.722 -1.883 477 HG13 ILE 60 3HG1 ILE 60 2.042 1.953 -0.401 478 HG21 ILE 60 1HG2 ILE 60 1.176 5.402 -1.787 479 HG22 ILE 60 2HG2 ILE 60 1.838 6.256 -0.392 480 HG23 ILE 60 3HG2 ILE 60 0.385 5.275 -0.214 481 HD11 ILE 60 3HD1 ILE 60 -0.341 1.728 -0.612 482 HD12 ILE 60 1HD1 ILE 60 -0.540 3.473 -0.758 483 HD13 ILE 60 2HD1 ILE 60 0.028 2.771 0.761 484 H THR 61 H THR 61 4.130 6.183 -2.654 485 HA THR 61 HA THR 61 5.942 7.755 -1.197 486 HB THR 61 HB THR 61 4.031 8.605 -3.434 487 HG1 THR 61 HG1 THR 61 6.743 7.702 -3.472 488 HG21 THR 61 3HG2 THR 61 4.921 10.591 -2.254 489 HG22 THR 61 1HG2 THR 61 5.604 10.445 -3.876 490 HG23 THR 61 2HG2 THR 61 6.565 9.984 -2.470 491 H ALA 62 H ALA 62 5.669 9.117 0.434 492 HA ALA 62 HA ALA 62 3.004 10.137 1.229 493 HB1 ALA 62 3HB ALA 62 5.075 8.821 3.030 494 HB2 ALA 62 1HB ALA 62 3.526 8.128 2.548 495 HB3 ALA 62 2HB ALA 62 3.564 9.563 3.575 496 H ARG 63 H ARG 63 3.322 12.272 0.796 497 HA ARG 63 HA ARG 63 5.747 13.671 0.866 498 HB2 ARG 63 2HB ARG 63 2.857 14.504 0.694 499 HB3 ARG 63 3HB ARG 63 4.018 15.759 1.100 500 HG2 ARG 63 2HG ARG 63 4.115 14.028 -1.405 501 HG3 ARG 63 3HG ARG 63 3.556 15.700 -1.317 502 HD2 ARG 63 2HD ARG 63 5.842 16.368 -0.513 503 HD3 ARG 63 3HD ARG 63 6.367 14.699 -0.755 504 HE ARG 63 HE ARG 63 5.269 16.224 -3.029 505 HH11 ARG 63 1HH1 ARG 63 8.049 14.647 -1.535 506 HH12 ARG 63 2HH1 ARG 63 9.012 14.734 -2.979 507 HH21 ARG 63 1HH2 ARG 63 6.585 16.380 -4.878 508 HH22 ARG 63 2HH2 ARG 63 8.185 15.705 -4.855 509 H THR 64 H THR 64 3.353 13.226 3.398 510 HA THR 64 HA THR 64 5.264 14.262 5.410 511 HB THR 64 HB THR 64 3.219 14.886 6.804 512 HG1 THR 64 HG1 THR 64 1.315 15.294 5.277 513 HG21 THR 64 3HG2 THR 64 3.482 16.386 4.175 514 HG22 THR 64 1HG2 THR 64 4.485 16.643 5.609 515 HG23 THR 64 2HG2 THR 64 2.758 17.004 5.660 516 H LYS 65 H LYS 65 4.902 13.270 7.583 517 HA LYS 65 HA LYS 65 4.645 10.447 7.565 518 HB2 LYS 65 2HB LYS 65 4.496 12.367 9.932 519 HB3 LYS 65 3HB LYS 65 4.699 10.620 10.054 520 HG2 LYS 65 2HG LYS 65 6.884 10.733 8.986 521 HG3 LYS 65 3HG LYS 65 6.696 12.462 8.675 522 HD2 LYS 65 2HD LYS 65 6.852 11.156 11.428 523 HD3 LYS 65 3HD LYS 65 8.159 12.042 10.636 524 HE2 LYS 65 2HE LYS 65 6.788 14.107 10.684 525 HE3 LYS 65 3HE LYS 65 5.473 13.219 11.460 526 HZ1 LYS 65 3HZ LYS 65 6.764 14.452 13.078 527 HZ2 LYS 65 1HZ LYS 65 8.179 13.660 12.600 528 HZ3 LYS 65 2HZ LYS 65 6.938 12.793 13.348 529 H LYS 66 H LYS 66 2.405 13.060 8.094 530 HA LYS 66 HA LYS 66 0.108 11.907 9.092 531 HB2 LYS 66 2HB LYS 66 0.227 14.297 8.682 532 HB3 LYS 66 3HB LYS 66 0.541 14.056 6.971 533 HG2 LYS 66 2HG LYS 66 -1.707 14.852 7.209 534 HG3 LYS 66 3HG LYS 66 -1.775 13.162 6.708 535 HD2 LYS 66 2HD LYS 66 -2.189 12.526 9.105 536 HD3 LYS 66 3HD LYS 66 -2.255 14.245 9.516 537 HE2 LYS 66 2HE LYS 66 -4.111 12.766 7.617 538 HE3 LYS 66 3HE LYS 66 -4.513 13.352 9.228 539 HZ1 LYS 66 3HZ LYS 66 -5.339 14.793 7.455 540 HZ2 LYS 66 1HZ LYS 66 -3.759 15.076 6.933 541 HZ3 LYS 66 2HZ LYS 66 -4.250 15.608 8.456 542 H GLU 67 H GLU 67 1.250 11.999 5.725 543 HA GLU 67 HA GLU 67 -0.857 10.472 4.586 544 HB2 GLU 67 2HB GLU 67 2.010 10.739 3.546 545 HB3 GLU 67 3HB GLU 67 0.579 10.325 2.608 546 HG2 GLU 67 2HG GLU 67 1.300 12.990 3.824 547 HG3 GLU 67 3HG GLU 67 1.169 12.589 2.112 548 H ALA 68 H ALA 68 2.411 9.675 5.714 549 HA ALA 68 HA ALA 68 2.638 7.054 4.839 550 HB1 ALA 68 3HB ALA 68 4.518 8.417 5.642 551 HB2 ALA 68 1HB ALA 68 4.467 6.858 6.466 552 HB3 ALA 68 2HB ALA 68 3.899 8.313 7.294 553 H GLU 69 H GLU 69 1.181 8.287 7.805 554 HA GLU 69 HA GLU 69 0.920 5.737 9.115 555 HB2 GLU 69 2HB GLU 69 -0.238 8.476 9.764 556 HB3 GLU 69 3HB GLU 69 -0.389 7.064 10.814 557 HG2 GLU 69 2HG GLU 69 2.062 6.946 11.044 558 HG3 GLU 69 3HG GLU 69 2.243 8.314 9.947 559 H LYS 70 H LYS 70 -1.342 7.891 7.359 560 HA LYS 70 HA LYS 70 -3.598 6.167 7.934 561 HB2 LYS 70 2HB LYS 70 -4.942 7.741 6.629 562 HB3 LYS 70 3HB LYS 70 -3.941 8.554 7.822 563 HG2 LYS 70 2HG LYS 70 -2.331 9.142 5.931 564 HG3 LYS 70 3HG LYS 70 -3.574 8.560 4.810 565 HD2 LYS 70 2HD LYS 70 -5.190 10.186 5.616 566 HD3 LYS 70 3HD LYS 70 -4.137 10.666 6.950 567 HE2 LYS 70 2HE LYS 70 -4.136 12.358 5.196 568 HE3 LYS 70 3HE LYS 70 -2.538 11.622 5.331 569 HZ1 LYS 70 3HZ LYS 70 -2.931 10.354 3.398 570 HZ2 LYS 70 1HZ LYS 70 -3.352 11.950 3.038 571 HZ3 LYS 70 2HZ LYS 70 -4.557 10.791 3.333 572 H PHE 71 H PHE 71 -1.284 6.407 5.377 573 HA PHE 71 HA PHE 71 -2.797 4.673 3.579 574 HB2 PHE 71 2HB PHE 71 -0.047 5.860 3.290 575 HB3 PHE 71 3HB PHE 71 -0.883 4.907 2.059 576 HD1 PHE 71 HD1 PHE 71 -3.641 6.591 3.177 577 HD2 PHE 71 HD2 PHE 71 0.079 7.407 1.396 578 HE1 PHE 71 HE1 PHE 71 -4.570 8.657 2.197 579 HE2 PHE 71 HE2 PHE 71 -0.816 9.496 0.428 580 HZ PHE 71 HZ PHE 71 -3.146 10.109 0.816 581 H ALA 72 H ALA 72 -0.269 4.405 5.978 582 HA ALA 72 HA ALA 72 0.535 1.747 5.532 583 HB1 ALA 72 3HB ALA 72 0.091 3.151 8.196 584 HB2 ALA 72 1HB ALA 72 1.582 3.161 7.251 585 HB3 ALA 72 2HB ALA 72 0.999 1.653 7.959 586 H ALA 73 H ALA 73 -2.246 3.153 7.227 587 HA ALA 73 HA ALA 73 -3.549 0.800 8.029 588 HB1 ALA 73 3HB ALA 73 -5.531 2.225 8.335 589 HB2 ALA 73 1HB ALA 73 -4.758 3.519 7.405 590 HB3 ALA 73 2HB ALA 73 -4.076 3.008 8.949 591 H ILE 74 H ILE 74 -3.647 2.558 4.928 592 HA ILE 74 HA ILE 74 -5.725 1.120 3.649 593 HB ILE 74 HB ILE 74 -3.273 2.545 2.447 594 HG12 ILE 74 2HG1 ILE 74 -6.217 3.365 2.681 595 HG13 ILE 74 3HG1 ILE 74 -4.875 4.039 3.600 596 HG21 ILE 74 1HG2 ILE 74 -4.044 0.824 0.854 597 HG22 ILE 74 2HG2 ILE 74 -4.459 2.430 0.259 598 HG23 ILE 74 3HG2 ILE 74 -5.704 1.409 0.985 599 HD11 ILE 74 3HD1 ILE 74 -5.268 4.295 0.612 600 HD12 ILE 74 1HD1 ILE 74 -3.917 4.977 1.540 601 HD13 ILE 74 2HD1 ILE 74 -5.569 5.534 1.828 602 H LEU 75 H LEU 75 -2.248 0.470 3.946 603 HA LEU 75 HA LEU 75 -2.247 -1.853 2.256 604 HB2 LEU 75 2HB LEU 75 -0.174 -0.773 4.203 605 HB3 LEU 75 3HB LEU 75 0.110 -2.124 3.112 606 HG LEU 75 HG LEU 75 -0.540 0.726 2.248 607 HD11 LEU 75 1HD1 LEU 75 1.764 0.826 1.408 608 HD12 LEU 75 2HD1 LEU 75 2.089 -0.777 2.076 609 HD13 LEU 75 3HD1 LEU 75 1.722 0.572 3.153 610 HD21 LEU 75 3HD2 LEU 75 -1.456 -0.850 0.657 611 HD22 LEU 75 1HD2 LEU 75 0.075 -1.726 0.570 612 HD23 LEU 75 2HD2 LEU 75 -0.039 -0.074 -0.039 613 H ILE 76 H ILE 76 -2.447 -1.366 5.769 614 HA ILE 76 HA ILE 76 -2.311 -4.109 6.528 615 HB ILE 76 HB ILE 76 -3.200 -1.556 7.908 616 HG12 ILE 76 2HG1 ILE 76 -1.515 -2.195 9.593 617 HG13 ILE 76 3HG1 ILE 76 -1.297 -3.760 8.826 618 HG21 ILE 76 1HG2 ILE 76 -3.910 -2.753 9.961 619 HG22 ILE 76 2HG2 ILE 76 -3.809 -4.290 9.099 620 HG23 ILE 76 3HG2 ILE 76 -4.993 -3.079 8.605 621 HD11 ILE 76 3HD1 ILE 76 0.548 -2.330 8.321 622 HD12 ILE 76 1HD1 ILE 76 -0.528 -1.076 7.708 623 HD13 ILE 76 2HD1 ILE 76 -0.371 -2.608 6.844 624 H LYS 77 H LYS 77 -4.907 -1.976 5.483 625 HA LYS 77 HA LYS 77 -7.155 -3.473 6.263 626 HB2 LYS 77 2HB LYS 77 -7.116 -1.066 5.566 627 HB3 LYS 77 3HB LYS 77 -6.886 -1.568 3.898 628 HG2 LYS 77 2HG LYS 77 -9.087 -2.565 3.824 629 HG3 LYS 77 3HG LYS 77 -9.312 -2.328 5.562 630 HD2 LYS 77 2HD LYS 77 -9.029 -0.112 3.488 631 HD3 LYS 77 3HD LYS 77 -10.540 -0.629 4.236 632 HE2 LYS 77 2HE LYS 77 -9.637 0.071 6.462 633 HE3 LYS 77 3HE LYS 77 -8.176 0.649 5.660 634 HZ1 LYS 77 3HZ LYS 77 -10.924 1.666 5.163 635 HZ2 LYS 77 1HZ LYS 77 -9.517 2.235 4.426 636 HZ3 LYS 77 2HZ LYS 77 -9.748 2.447 6.090 637 H VAL 78 H VAL 78 -5.401 -3.354 3.205 638 HA VAL 78 HA VAL 78 -7.007 -5.246 1.789 639 HB VAL 78 HB VAL 78 -4.276 -3.998 1.259 640 HG11 VAL 78 1HG1 VAL 78 -4.460 -4.781 -1.082 641 HG12 VAL 78 2HG1 VAL 78 -5.881 -5.735 -0.647 642 HG13 VAL 78 3HG1 VAL 78 -4.308 -6.125 0.054 643 HG21 VAL 78 3HG2 VAL 78 -6.181 -2.438 1.248 644 HG22 VAL 78 1HG2 VAL 78 -7.026 -3.448 0.069 645 HG23 VAL 78 2HG2 VAL 78 -5.529 -2.626 -0.381 646 H TYR 79 H TYR 79 -3.896 -5.467 3.526 647 HA TYR 79 HA TYR 79 -3.400 -8.217 2.800 648 HB2 TYR 79 2HB TYR 79 -2.020 -6.232 4.625 649 HB3 TYR 79 3HB TYR 79 -1.561 -7.932 4.665 650 HD1 TYR 79 HD2 TYR 79 -2.201 -5.291 2.029 651 HD2 TYR 79 HD1 TYR 79 0.306 -8.502 3.353 652 HE1 TYR 79 HE2 TYR 79 -0.711 -4.929 0.106 653 HE2 TYR 79 HE1 TYR 79 1.776 -8.142 1.417 654 HH TYR 79 HH TYR 79 1.294 -5.457 -0.814 655 H ALA 80 H ALA 80 -5.224 -6.704 5.302 656 HA ALA 80 HA ALA 80 -5.260 -8.886 7.175 657 HB1 ALA 80 3HB ALA 80 -7.239 -6.614 6.785 658 HB2 ALA 80 1HB ALA 80 -5.840 -6.599 7.859 659 HB3 ALA 80 2HB ALA 80 -7.182 -7.702 8.178 660 H GLU 81 H GLU 81 -7.054 -8.006 4.305 661 HA GLU 81 HA GLU 81 -9.135 -9.979 4.499 662 HB2 GLU 81 2HB GLU 81 -8.072 -8.468 2.062 663 HB3 GLU 81 3HB GLU 81 -9.592 -9.365 2.131 664 HG2 GLU 81 2HG GLU 81 -10.438 -7.811 3.861 665 HG3 GLU 81 3HG GLU 81 -8.919 -6.919 3.808 666 H LEU 82 H LEU 82 -5.895 -9.861 3.171 667 HA LEU 82 HA LEU 82 -6.016 -12.370 1.752 668 HB2 LEU 82 2HB LEU 82 -3.577 -10.716 2.562 669 HB3 LEU 82 3HB LEU 82 -3.601 -12.035 1.396 670 HG LEU 82 HG LEU 82 -4.934 -9.318 1.080 671 HD11 LEU 82 1HD1 LEU 82 -2.666 -10.593 -0.483 672 HD12 LEU 82 2HD1 LEU 82 -2.518 -9.275 0.685 673 HD13 LEU 82 3HD1 LEU 82 -3.406 -9.023 -0.816 674 HD21 LEU 82 3HD2 LEU 82 -6.421 -10.949 0.127 675 HD22 LEU 82 1HD2 LEU 82 -5.097 -11.736 -0.737 676 HD23 LEU 82 2HD2 LEU 82 -5.603 -10.106 -1.183 677 H GLY 83 H GLY 83 -5.184 -11.348 4.975 678 HA2 GLY 83 2HA GLY 83 -5.290 -14.045 5.968 679 HA3 GLY 83 3HA GLY 83 -3.661 -13.357 6.047 680 H TYR 84 H TYR 84 -6.149 -13.914 7.992 681 HA TYR 84 HA TYR 84 -6.715 -11.300 9.109 682 HB2 TYR 84 2HB TYR 84 -7.458 -14.090 10.092 683 HB3 TYR 84 3HB TYR 84 -8.052 -12.589 10.792 684 HD1 TYR 84 HD2 TYR 84 -7.837 -14.101 7.327 685 HD2 TYR 84 HD1 TYR 84 -10.279 -12.102 10.209 686 HE1 TYR 84 HE2 TYR 84 -9.730 -14.195 5.783 687 HE2 TYR 84 HE1 TYR 84 -12.184 -12.215 8.654 688 HH TYR 84 HH TYR 84 -12.153 -14.155 5.832 689 H ASN 85 H ASN 85 -4.370 -10.892 9.458 690 HA ASN 85 HA ASN 85 -3.386 -11.702 12.117 691 HB2 ASN 85 2HB ASN 85 -1.699 -11.723 9.556 692 HB3 ASN 85 3HB ASN 85 -1.056 -11.917 11.182 693 HD21 ASN 85 1HD2 ASN 85 -0.978 -13.658 8.801 694 HD22 ASN 85 2HD2 ASN 85 -1.591 -15.185 9.331 695 H ASP 86 H ASP 86 -1.770 -10.146 12.916 696 HA ASP 86 HA ASP 86 -2.118 -7.415 12.109 697 HB2 ASP 86 2HB ASP 86 -0.393 -6.874 13.766 698 HB3 ASP 86 3HB ASP 86 -1.511 -8.041 14.455 699 H ILE 87 H ILE 87 -0.593 -6.077 10.985 700 HA ILE 87 HA ILE 87 1.276 -7.567 9.222 701 HB ILE 87 HB ILE 87 -0.107 -4.955 8.464 702 HG12 ILE 87 2HG1 ILE 87 -1.881 -6.676 8.860 703 HG13 ILE 87 3HG1 ILE 87 -1.783 -6.215 7.168 704 HG21 ILE 87 1HG2 ILE 87 0.462 -5.622 6.150 705 HG22 ILE 87 2HG2 ILE 87 1.256 -7.077 6.764 706 HG23 ILE 87 3HG2 ILE 87 1.902 -5.482 7.163 707 HD11 ILE 87 3HD1 ILE 87 -2.160 -8.594 7.432 708 HD12 ILE 87 1HD1 ILE 87 -0.677 -8.755 8.374 709 HD13 ILE 87 2HD1 ILE 87 -0.600 -8.299 6.668 710 H ASN 88 H ASN 88 3.287 -6.505 8.656 711 HA ASN 88 HA ASN 88 4.372 -4.961 10.903 712 HB2 ASN 88 2HB ASN 88 5.550 -7.004 10.116 713 HB3 ASN 88 3HB ASN 88 5.741 -6.298 8.515 714 HD21 ASN 88 1HD2 ASN 88 7.980 -6.419 8.584 715 HD22 ASN 88 2HD2 ASN 88 8.950 -5.432 9.615 716 H VAL 89 H VAL 89 4.572 -2.788 10.769 717 HA VAL 89 HA VAL 89 4.602 -1.453 8.114 718 HB VAL 89 HB VAL 89 3.991 -0.102 10.796 719 HG11 VAL 89 1HG1 VAL 89 3.430 0.750 7.923 720 HG12 VAL 89 2HG1 VAL 89 4.671 1.421 8.986 721 HG13 VAL 89 3HG1 VAL 89 2.966 1.644 9.373 722 HG21 VAL 89 3HG2 VAL 89 2.315 -1.864 10.452 723 HG22 VAL 89 1HG2 VAL 89 1.971 -1.248 8.833 724 HG23 VAL 89 2HG2 VAL 89 1.593 -0.268 10.253 725 H THR 90 H THR 90 6.446 -0.446 7.499 726 HA THR 90 HA THR 90 8.351 0.541 9.558 727 HB THR 90 HB THR 90 8.975 -0.282 6.671 728 HG1 THR 90 HG1 THR 90 9.353 -1.611 9.149 729 HG21 THR 90 3HG2 THR 90 10.470 1.519 7.479 730 HG22 THR 90 1HG2 THR 90 11.340 -0.006 7.303 731 HG23 THR 90 2HG2 THR 90 10.865 0.555 8.906 732 H TRP 91 H TRP 91 7.785 2.670 9.779 733 HA TRP 91 HA TRP 91 7.066 4.358 7.517 734 HB2 TRP 91 2HB TRP 91 7.567 4.988 10.467 735 HB3 TRP 91 3HB TRP 91 7.136 6.210 9.277 736 HD1 TRP 91 HD1 TRP 91 4.638 5.946 8.136 737 HE1 TRP 91 HE1 TRP 91 2.467 5.034 9.137 738 HE3 TRP 91 HE3 TRP 91 6.585 3.304 12.060 739 HZ2 TRP 91 HZ2 TRP 91 1.653 3.440 11.305 740 HZ3 TRP 91 HZ3 TRP 91 5.036 2.104 13.554 741 HH2 TRP 91 HH2 TRP 91 2.618 2.170 13.182 742 H ASP 92 H ASP 92 8.736 4.548 6.110 743 HA ASP 92 HA ASP 92 11.490 4.810 6.873 744 HB2 ASP 92 2HB ASP 92 10.982 3.720 4.781 745 HB3 ASP 92 3HB ASP 92 10.055 5.097 4.202 746 H GLY 93 H GLY 93 9.025 7.052 5.592 747 HA2 GLY 93 2HA GLY 93 9.217 9.245 7.023 748 HA3 GLY 93 3HA GLY 93 10.731 9.400 6.139 749 H ASP 94 H ASP 94 10.663 9.575 3.816 750 HA ASP 94 HA ASP 94 8.492 11.176 2.801 751 HB2 ASP 94 2HB ASP 94 9.803 11.371 0.744 752 HB3 ASP 94 3HB ASP 94 10.892 11.534 2.118 753 H THR 95 H THR 95 8.968 7.865 3.054 754 HA THR 95 HA THR 95 6.652 7.237 1.379 755 HB THR 95 HB THR 95 9.325 5.733 1.201 756 HG1 THR 95 HG1 THR 95 9.136 7.813 0.056 757 HG21 THR 95 3HG2 THR 95 8.286 4.439 -0.600 758 HG22 THR 95 1HG2 THR 95 6.753 5.267 -0.350 759 HG23 THR 95 2HG2 THR 95 7.403 4.214 0.909 760 H VAL 96 H VAL 96 5.381 5.602 2.382 761 HA VAL 96 HA VAL 96 6.437 4.332 4.840 762 HB VAL 96 HB VAL 96 4.192 5.326 5.058 763 HG11 VAL 96 1HG1 VAL 96 3.230 3.374 2.944 764 HG12 VAL 96 2HG1 VAL 96 3.364 5.123 2.760 765 HG13 VAL 96 3HG1 VAL 96 2.208 4.446 3.909 766 HG21 VAL 96 3HG2 VAL 96 4.100 2.286 5.223 767 HG22 VAL 96 1HG2 VAL 96 3.022 3.399 6.074 768 HG23 VAL 96 2HG2 VAL 96 4.744 3.373 6.455 769 H THR 97 H THR 97 6.740 2.107 4.955 770 HA THR 97 HA THR 97 6.439 0.517 2.472 771 HB THR 97 HB THR 97 8.902 0.473 4.301 772 HG1 THR 97 HG1 THR 97 9.900 1.728 2.759 773 HG21 THR 97 3HG2 THR 97 8.499 -1.658 3.085 774 HG22 THR 97 1HG2 THR 97 9.937 -0.837 2.478 775 HG23 THR 97 2HG2 THR 97 8.433 -0.777 1.556 776 H VAL 98 H VAL 98 4.850 -0.881 3.089 777 HA VAL 98 HA VAL 98 4.917 -2.127 5.781 778 HB VAL 98 HB VAL 98 2.610 -1.816 3.789 779 HG11 VAL 98 1HG1 VAL 98 2.588 -3.235 6.481 780 HG12 VAL 98 2HG1 VAL 98 2.404 -3.998 4.900 781 HG13 VAL 98 3HG1 VAL 98 1.170 -2.885 5.490 782 HG21 VAL 98 3HG2 VAL 98 3.153 0.237 5.058 783 HG22 VAL 98 1HG2 VAL 98 3.027 -0.655 6.580 784 HG23 VAL 98 2HG2 VAL 98 1.598 -0.424 5.568 785 H GLU 99 H GLU 99 5.101 -4.297 5.989 786 HA GLU 99 HA GLU 99 5.634 -5.940 3.585 787 HB2 GLU 99 2HB GLU 99 7.591 -5.140 5.120 788 HB3 GLU 99 3HB GLU 99 6.960 -6.263 6.315 789 HG2 GLU 99 2HG GLU 99 7.835 -7.096 3.527 790 HG3 GLU 99 3HG GLU 99 8.920 -7.054 4.912 791 H GLY 100 H GLY 100 4.723 -7.984 3.574 792 HA2 GLY 100 2HA GLY 100 2.350 -8.469 5.063 793 HA3 GLY 100 3HA GLY 100 3.143 -9.587 3.965 794 H GLN 101 H GLN 101 2.774 -8.610 7.279 795 HA GLN 101 HA GLN 101 4.781 -10.305 8.452 796 HB2 GLN 101 2HB GLN 101 4.038 -8.269 9.583 797 HB3 GLN 101 3HB GLN 101 2.377 -8.834 9.601 798 HG2 GLN 101 2HG GLN 101 3.238 -9.047 11.817 799 HG3 GLN 101 3HG GLN 101 3.069 -10.670 11.159 800 HE21 GLN 101 1HE2 GLN 101 5.325 -8.204 12.165 801 HE22 GLN 101 2HE2 GLN 101 6.716 -9.230 12.233 802 H LEU 102 H LEU 102 4.561 -12.441 8.131 803 HA LEU 102 HA LEU 102 2.016 -13.822 8.739 804 HB2 LEU 102 2HB LEU 102 3.395 -14.376 6.642 805 HB3 LEU 102 3HB LEU 102 4.641 -15.004 7.695 806 HG LEU 102 HG LEU 102 3.146 -16.749 6.596 807 HD11 LEU 102 1HD1 LEU 102 4.463 -17.380 8.563 808 HD12 LEU 102 2HD1 LEU 102 2.920 -18.227 8.534 809 HD13 LEU 102 3HD1 LEU 102 3.155 -16.862 9.629 810 HD21 LEU 102 3HD2 LEU 102 0.998 -15.548 6.761 811 HD22 LEU 102 1HD2 LEU 102 1.016 -15.735 8.517 812 HD23 LEU 102 2HD2 LEU 102 0.890 -17.155 7.474 813 H GLU 103 H GLU 103 1.779 -14.183 10.899 814 HA GLU 103 HA GLU 103 4.093 -14.958 12.541 815 HB2 GLU 103 2HB GLU 103 2.536 -13.292 13.511 816 HB3 GLU 103 3HB GLU 103 1.194 -14.413 13.335 817 HG2 GLU 103 2HG GLU 103 2.013 -14.300 15.665 818 HG3 GLU 103 3HG GLU 103 2.163 -15.920 14.991 819 H GLY 104 H GLY 104 4.477 -17.029 13.001 820 HA2 GLY 104 2HA GLY 104 2.703 -19.114 13.498 821 HA3 GLY 104 3HA GLY 104 3.024 -19.160 11.766 822 H VAL 105 H VAL 105 5.596 -18.047 13.869 823 HA VAL 105 HA VAL 105 7.108 -20.511 13.374 824 HB VAL 105 HB VAL 105 9.039 -19.233 14.476 825 HG11 VAL 105 1HG1 VAL 105 8.904 -19.501 12.054 826 HG12 VAL 105 2HG1 VAL 105 9.528 -17.900 12.442 827 HG13 VAL 105 3HG1 VAL 105 7.854 -18.089 11.917 828 HG21 VAL 105 3HG2 VAL 105 8.885 -16.754 14.583 829 HG22 VAL 105 1HG2 VAL 105 7.768 -17.525 15.715 830 HG23 VAL 105 2HG2 VAL 105 7.162 -16.845 14.203 831 H ASP 106 H ASP 106 5.446 -21.577 14.714 832 HA ASP 106 HA ASP 106 5.494 -21.174 17.590 833 HB2 ASP 106 2HB ASP 106 3.365 -21.598 16.380 834 HB3 ASP 106 3HB ASP 106 3.980 -23.155 15.829 Start of MODEL 9 1 H1 MET 1 1H MET 1 0.365 15.088 15.778 2 H2 MET 1 2H MET 1 -0.962 15.369 14.770 3 H3 MET 1 3H MET 1 -0.814 16.211 16.225 4 HA MET 1 HA MET 1 1.117 17.342 15.469 5 HB2 MET 1 2HB MET 1 0.680 15.789 12.878 6 HB3 MET 1 3HB MET 1 1.821 17.120 13.058 7 HG2 MET 1 2HG MET 1 1.936 14.466 14.514 8 HG3 MET 1 3HG MET 1 2.974 14.973 13.178 9 HE1 MET 1 3HE MET 1 5.434 14.993 16.271 10 HE2 MET 1 1HE MET 1 5.146 14.345 14.657 11 HE3 MET 1 2HE MET 1 4.113 13.854 16.002 12 H HIS 2 H HIS 2 -0.516 18.843 16.022 13 HA HIS 2 HA HIS 2 -2.338 19.757 13.909 14 HB2 HIS 2 2HB HIS 2 -3.265 19.589 16.188 15 HB3 HIS 2 3HB HIS 2 -2.031 20.689 16.794 16 HD1 HIS 2 HD1 HIS 2 -2.830 23.033 17.036 17 HD2 HIS 2 HD2 HIS 2 -4.951 21.013 14.081 18 HE1 HIS 2 HE1 HIS 2 -4.534 24.671 16.184 19 HE2 HIS 2 HE2 HIS 2 -5.746 23.453 14.351 20 H HIS 3 H HIS 3 -0.512 20.303 12.565 21 HA HIS 3 HA HIS 3 0.095 23.158 12.810 22 HB2 HIS 3 2HB HIS 3 2.218 21.007 12.405 23 HB3 HIS 3 3HB HIS 3 2.465 22.648 11.816 24 HD1 HIS 3 HD1 HIS 3 3.078 20.610 14.713 25 HD2 HIS 3 HD2 HIS 3 2.168 24.615 14.072 26 HE1 HIS 3 HE1 HIS 3 3.750 21.802 16.817 27 HE2 HIS 3 HE2 HIS 3 3.324 24.233 16.351 28 H HIS 4 H HIS 4 -0.263 24.170 10.940 29 HA HIS 4 HA HIS 4 -1.093 22.716 8.580 30 HB2 HIS 4 2HB HIS 4 -0.764 25.718 9.058 31 HB3 HIS 4 3HB HIS 4 -1.487 24.998 7.620 32 HD1 HIS 4 HD1 HIS 4 -2.443 26.504 10.692 33 HD2 HIS 4 HD2 HIS 4 -3.867 23.293 8.467 34 HE1 HIS 4 HE1 HIS 4 -4.812 26.156 11.447 35 HE2 HIS 4 HE2 HIS 4 -5.695 24.335 9.956 36 H HIS 5 H HIS 5 0.932 21.588 8.276 37 HA HIS 5 HA HIS 5 3.346 23.084 7.701 38 HB2 HIS 5 2HB HIS 5 3.330 20.822 8.884 39 HB3 HIS 5 3HB HIS 5 2.892 20.088 7.342 40 HD1 HIS 5 HD1 HIS 5 5.758 21.227 9.313 41 HD2 HIS 5 HD2 HIS 5 5.000 20.398 5.315 42 HE1 HIS 5 HE1 HIS 5 8.009 21.017 8.228 43 HE2 HIS 5 HE2 HIS 5 7.511 20.308 5.871 44 H HIS 6 H HIS 6 2.797 24.329 5.896 45 HA HIS 6 HA HIS 6 1.693 23.254 3.498 46 HB2 HIS 6 2HB HIS 6 2.284 25.429 2.449 47 HB3 HIS 6 3HB HIS 6 1.428 25.631 3.968 48 HD1 HIS 6 HD1 HIS 6 2.836 26.537 6.011 49 HD2 HIS 6 HD2 HIS 6 4.819 26.603 2.356 50 HE1 HIS 6 HE1 HIS 6 4.832 28.020 6.349 51 HE2 HIS 6 HE2 HIS 6 5.992 28.081 4.116 52 H HIS 7 H HIS 7 2.638 22.195 1.918 53 HA HIS 7 HA HIS 7 5.355 22.434 1.079 54 HB2 HIS 7 2HB HIS 7 5.631 20.997 3.158 55 HB3 HIS 7 3HB HIS 7 4.566 19.798 2.435 56 HD1 HIS 7 HD1 HIS 7 8.051 21.109 2.345 57 HD2 HIS 7 HD2 HIS 7 5.778 18.277 0.327 58 HE1 HIS 7 HE1 HIS 7 9.685 19.753 1.016 59 HE2 HIS 7 HE2 HIS 7 8.310 17.913 0.001 60 H ARG 8 H ARG 8 5.501 21.712 -1.022 61 HA ARG 8 HA ARG 8 3.207 21.073 -2.521 62 HB2 ARG 8 2HB ARG 8 6.153 20.731 -3.212 63 HB3 ARG 8 3HB ARG 8 4.844 20.553 -4.380 64 HG2 ARG 8 2HG ARG 8 4.204 22.905 -4.050 65 HG3 ARG 8 3HG ARG 8 5.476 23.098 -2.841 66 HD2 ARG 8 2HD ARG 8 7.188 22.665 -4.549 67 HD3 ARG 8 3HD ARG 8 5.933 22.403 -5.767 68 HE ARG 8 HE ARG 8 5.388 24.896 -4.841 69 HH11 ARG 8 1HH1 ARG 8 8.327 23.451 -6.135 70 HH12 ARG 8 2HH1 ARG 8 8.918 24.949 -6.779 71 HH21 ARG 8 1HH2 ARG 8 6.164 26.845 -5.722 72 HH22 ARG 8 2HH2 ARG 8 7.695 26.865 -6.544 73 H SER 9 H SER 9 2.096 19.306 -2.044 74 HA SER 9 HA SER 9 3.110 16.814 -1.197 75 HB2 SER 9 2HB SER 9 0.382 17.516 -2.360 76 HB3 SER 9 3HB SER 9 0.769 16.020 -1.506 77 HG SER 9 HG SER 9 0.786 17.058 0.354 78 H GLY 10 H GLY 10 4.634 16.034 -2.614 79 HA2 GLY 10 2HA GLY 10 4.463 15.652 -5.375 80 HA3 GLY 10 3HA GLY 10 5.398 14.650 -4.267 81 H ASP 11 H ASP 11 3.422 14.183 -6.630 82 HA ASP 11 HA ASP 11 1.027 13.076 -5.694 83 HB2 ASP 11 2HB ASP 11 0.705 12.237 -7.967 84 HB3 ASP 11 3HB ASP 11 1.335 13.878 -8.000 85 H ILE 12 H ILE 12 0.305 10.808 -6.012 86 HA ILE 12 HA ILE 12 1.908 9.282 -4.153 87 HB ILE 12 HB ILE 12 -0.816 8.615 -5.357 88 HG12 ILE 12 2HG1 ILE 12 -0.307 10.039 -2.705 89 HG13 ILE 12 3HG1 ILE 12 -0.762 10.865 -4.190 90 HG21 ILE 12 1HG2 ILE 12 -1.140 7.196 -3.361 91 HG22 ILE 12 2HG2 ILE 12 0.496 7.580 -2.826 92 HG23 ILE 12 3HG2 ILE 12 0.249 6.669 -4.318 93 HD11 ILE 12 3HD1 ILE 12 -2.674 10.561 -2.732 94 HD12 ILE 12 1HD1 ILE 12 -2.446 8.812 -2.745 95 HD13 ILE 12 2HD1 ILE 12 -2.885 9.660 -4.230 96 H GLN 13 H GLN 13 3.618 8.259 -5.198 97 HA GLN 13 HA GLN 13 3.054 6.415 -7.417 98 HB2 GLN 13 2HB GLN 13 5.162 7.713 -7.537 99 HB3 GLN 13 3HB GLN 13 5.696 7.020 -6.009 100 HG2 GLN 13 2HG GLN 13 5.760 4.774 -7.032 101 HG3 GLN 13 3HG GLN 13 5.160 5.439 -8.551 102 HE21 GLN 13 1HE2 GLN 13 6.939 4.771 -9.732 103 HE22 GLN 13 2HE2 GLN 13 8.517 5.452 -9.546 104 H VAL 14 H VAL 14 2.840 4.298 -7.123 105 HA VAL 14 HA VAL 14 3.133 3.072 -4.442 106 HB VAL 14 HB VAL 14 1.133 2.310 -6.640 107 HG11 VAL 14 1HG1 VAL 14 0.064 0.913 -4.900 108 HG12 VAL 14 2HG1 VAL 14 1.330 1.364 -3.756 109 HG13 VAL 14 3HG1 VAL 14 1.736 0.415 -5.187 110 HG21 VAL 14 3HG2 VAL 14 -0.617 3.328 -5.250 111 HG22 VAL 14 1HG2 VAL 14 0.584 4.529 -5.737 112 HG23 VAL 14 2HG2 VAL 14 0.601 3.876 -4.096 113 H GLN 15 H GLN 15 4.551 1.378 -4.437 114 HA GLN 15 HA GLN 15 5.151 -0.075 -6.964 115 HB2 GLN 15 2HB GLN 15 7.073 0.591 -4.676 116 HB3 GLN 15 3HB GLN 15 7.465 -0.431 -6.056 117 HG2 GLN 15 2HG GLN 15 7.169 1.501 -7.569 118 HG3 GLN 15 3HG GLN 15 6.773 2.520 -6.189 119 HE21 GLN 15 1HE2 GLN 15 9.358 0.074 -6.195 120 HE22 GLN 15 2HE2 GLN 15 10.651 1.213 -6.076 121 H ASN 16 H ASN 16 5.239 -2.352 -6.745 122 HA ASN 16 HA ASN 16 4.967 -3.525 -4.065 123 HB2 ASN 16 2HB ASN 16 2.646 -3.295 -4.873 124 HB3 ASN 16 3HB ASN 16 3.052 -4.149 -6.356 125 HD21 ASN 16 1HD2 ASN 16 2.591 -4.481 -2.894 126 HD22 ASN 16 2HD2 ASN 16 2.374 -6.192 -2.899 127 H ASN 17 H ASN 17 6.171 -5.258 -3.798 128 HA ASN 17 HA ASN 17 7.706 -6.382 -6.065 129 HB2 ASN 17 2HB ASN 17 8.358 -6.286 -3.072 130 HB3 ASN 17 3HB ASN 17 9.409 -6.935 -4.325 131 HD21 ASN 17 1HD2 ASN 17 8.942 -4.804 -6.241 132 HD22 ASN 17 2HD2 ASN 17 9.738 -3.406 -5.616 133 H ASN 18 H ASN 18 6.939 -8.382 -6.651 134 HA ASN 18 HA ASN 18 5.423 -9.996 -4.685 135 HB2 ASN 18 2HB ASN 18 5.605 -10.372 -7.714 136 HB3 ASN 18 3HB ASN 18 4.511 -11.221 -6.620 137 HD21 ASN 18 1HD2 ASN 18 2.979 -9.790 -5.388 138 HD22 ASN 18 2HD2 ASN 18 2.337 -8.420 -6.225 139 H THR 19 H THR 19 6.007 -12.073 -4.149 140 HA THR 19 HA THR 19 8.428 -13.271 -5.331 141 HB THR 19 HB THR 19 8.148 -15.037 -3.567 142 HG1 THR 19 HG1 THR 19 6.073 -13.383 -2.545 143 HG21 THR 19 3HG2 THR 19 9.556 -13.053 -3.077 144 HG22 THR 19 1HG2 THR 19 8.747 -13.649 -1.625 145 HG23 THR 19 2HG2 THR 19 8.135 -12.213 -2.446 146 H CYS 20 H CYS 20 8.204 -15.613 -6.060 147 HA CYS 20 HA CYS 20 7.553 -16.875 -7.829 148 HB2 CYS 20 2HB CYS 20 4.782 -16.466 -6.621 149 HB3 CYS 20 3HB CYS 20 5.182 -17.674 -7.836 150 H ASN 21 H ASN 21 8.057 -14.315 -8.553 151 HA ASN 21 HA ASN 21 5.961 -13.438 -10.431 152 HB2 ASN 21 2HB ASN 21 7.095 -11.698 -9.054 153 HB3 ASN 21 3HB ASN 21 8.655 -12.162 -9.731 154 HD21 ASN 21 1HD2 ASN 21 9.092 -10.200 -10.707 155 HD22 ASN 21 2HD2 ASN 21 8.174 -9.556 -12.022 156 H GLY 22 H GLY 22 6.129 -13.803 -12.594 157 HA2 GLY 22 2HA GLY 22 8.639 -14.900 -13.746 158 HA3 GLY 22 3HA GLY 22 7.115 -15.762 -13.946 159 H LYS 23 H LYS 23 5.264 -14.223 -14.745 160 HA LYS 23 HA LYS 23 6.127 -12.162 -16.614 161 HB2 LYS 23 2HB LYS 23 6.352 -14.224 -17.951 162 HB3 LYS 23 3HB LYS 23 4.700 -14.690 -17.568 163 HG2 LYS 23 2HG LYS 23 3.821 -12.783 -18.830 164 HG3 LYS 23 3HG LYS 23 5.453 -12.180 -19.122 165 HD2 LYS 23 2HD LYS 23 4.321 -14.807 -20.173 166 HD3 LYS 23 3HD LYS 23 4.521 -13.326 -21.111 167 HE2 LYS 23 2HE LYS 23 6.988 -13.454 -20.691 168 HE3 LYS 23 3HE LYS 23 6.736 -15.009 -19.892 169 HZ1 LYS 23 3HZ LYS 23 5.789 -15.842 -21.985 170 HZ2 LYS 23 1HZ LYS 23 7.392 -15.353 -22.159 171 HZ3 LYS 23 2HZ LYS 23 6.140 -14.373 -22.734 172 H THR 24 H THR 24 4.907 -10.633 -15.837 173 HA THR 24 HA THR 24 2.024 -10.662 -16.124 174 HB THR 24 HB THR 24 2.322 -11.550 -13.804 175 HG1 THR 24 HG1 THR 24 0.883 -10.150 -12.861 176 HG21 THR 24 3HG2 THR 24 3.286 -10.150 -12.020 177 HG22 THR 24 1HG2 THR 24 3.731 -8.921 -13.207 178 HG23 THR 24 2HG2 THR 24 4.502 -10.508 -13.250 179 H PHE 25 H PHE 25 1.323 -8.258 -15.229 180 HA PHE 25 HA PHE 25 2.995 -6.341 -16.647 181 HB2 PHE 25 2HB PHE 25 0.328 -5.994 -15.204 182 HB3 PHE 25 3HB PHE 25 1.129 -4.736 -16.142 183 HD1 PHE 25 HD1 PHE 25 1.238 -4.879 -18.607 184 HD2 PHE 25 HD2 PHE 25 -0.803 -7.870 -16.327 185 HE1 PHE 25 HE1 PHE 25 0.137 -5.699 -20.652 186 HE2 PHE 25 HE2 PHE 25 -1.898 -8.677 -18.374 187 HZ PHE 25 HZ PHE 25 -1.430 -7.594 -20.537 188 H ASP 26 H ASP 26 3.240 -4.133 -15.482 189 HA ASP 26 HA ASP 26 4.868 -4.637 -13.128 190 HB2 ASP 26 2HB ASP 26 5.786 -3.261 -14.937 191 HB3 ASP 26 3HB ASP 26 4.456 -2.122 -14.793 192 H TYR 27 H TYR 27 4.290 -4.216 -11.107 193 HA TYR 27 HA TYR 27 1.602 -3.353 -10.457 194 HB2 TYR 27 2HB TYR 27 3.891 -4.500 -8.811 195 HB3 TYR 27 3HB TYR 27 2.389 -3.962 -8.072 196 HD1 TYR 27 HD1 TYR 27 3.091 -5.999 -11.173 197 HD2 TYR 27 HD2 TYR 27 1.197 -5.842 -7.345 198 HE1 TYR 27 HE1 TYR 27 2.124 -8.217 -11.562 199 HE2 TYR 27 HE2 TYR 27 0.222 -8.063 -7.739 200 HH TYR 27 HH TYR 27 1.273 -10.083 -10.270 201 H THR 28 H THR 28 4.074 -1.440 -11.213 202 HA THR 28 HA THR 28 3.878 0.436 -9.002 203 HB THR 28 HB THR 28 5.142 0.935 -11.725 204 HG1 THR 28 HG1 THR 28 6.495 -0.555 -11.057 205 HG21 THR 28 3HG2 THR 28 5.629 2.253 -9.028 206 HG22 THR 28 1HG2 THR 28 4.715 2.978 -10.356 207 HG23 THR 28 2HG2 THR 28 6.441 2.658 -10.540 208 H TYR 29 H TYR 29 2.330 1.946 -8.856 209 HA TYR 29 HA TYR 29 0.767 2.763 -11.239 210 HB2 TYR 29 2HB TYR 29 -0.214 2.251 -8.390 211 HB3 TYR 29 3HB TYR 29 -1.174 3.082 -9.612 212 HD1 TYR 29 HD1 TYR 29 -2.026 1.850 -11.603 213 HD2 TYR 29 HD2 TYR 29 0.076 -0.168 -8.480 214 HE1 TYR 29 HE1 TYR 29 -2.827 -0.306 -12.458 215 HE2 TYR 29 HE2 TYR 29 -0.719 -2.324 -9.342 216 HH TYR 29 HH TYR 29 -2.065 -2.739 -12.361 217 H THR 30 H THR 30 -0.041 4.888 -11.188 218 HA THR 30 HA THR 30 1.179 6.772 -9.266 219 HB THR 30 HB THR 30 0.977 7.212 -12.291 220 HG1 THR 30 HG1 THR 30 3.160 6.482 -10.611 221 HG21 THR 30 3HG2 THR 30 2.351 8.850 -10.132 222 HG22 THR 30 1HG2 THR 30 0.876 9.314 -10.990 223 HG23 THR 30 2HG2 THR 30 2.403 9.178 -11.863 224 H VAL 31 H VAL 31 -0.615 7.344 -8.156 225 HA VAL 31 HA VAL 31 -3.010 8.297 -9.648 226 HB VAL 31 HB VAL 31 -4.383 7.821 -7.648 227 HG11 VAL 31 1HG1 VAL 31 -4.252 6.055 -9.335 228 HG12 VAL 31 2HG1 VAL 31 -4.383 5.340 -7.724 229 HG13 VAL 31 3HG1 VAL 31 -2.822 5.371 -8.553 230 HG21 VAL 31 3HG2 VAL 31 -2.703 8.074 -5.881 231 HG22 VAL 31 1HG2 VAL 31 -1.896 6.594 -6.407 232 HG23 VAL 31 2HG2 VAL 31 -3.527 6.520 -5.729 233 H THR 32 H THR 32 -3.843 10.328 -9.044 234 HA THR 32 HA THR 32 -1.974 12.065 -7.542 235 HB THR 32 HB THR 32 -2.497 12.871 -9.799 236 HG1 THR 32 HG1 THR 32 -2.651 14.292 -7.653 237 HG21 THR 32 3HG2 THR 32 -4.732 11.865 -10.127 238 HG22 THR 32 1HG2 THR 32 -4.766 13.602 -10.449 239 HG23 THR 32 2HG2 THR 32 -5.412 12.973 -8.933 240 H THR 33 H THR 33 -5.207 10.791 -7.533 241 HA THR 33 HA THR 33 -6.072 12.464 -5.272 242 HB THR 33 HB THR 33 -7.681 10.507 -6.975 243 HG1 THR 33 HG1 THR 33 -7.099 12.072 -8.368 244 HG21 THR 33 3HG2 THR 33 -8.636 12.756 -5.161 245 HG22 THR 33 1HG2 THR 33 -8.757 11.029 -4.799 246 HG23 THR 33 2HG2 THR 33 -9.660 11.716 -6.151 247 H GLU 34 H GLU 34 -6.536 11.568 -3.308 248 HA GLU 34 HA GLU 34 -5.270 9.171 -2.478 249 HB2 GLU 34 2HB GLU 34 -7.359 10.791 -0.974 250 HB3 GLU 34 3HB GLU 34 -6.183 9.679 -0.272 251 HG2 GLU 34 2HG GLU 34 -4.351 11.181 -0.930 252 HG3 GLU 34 3HG GLU 34 -5.501 12.264 -1.701 253 H SER 35 H SER 35 -8.526 9.943 -3.454 254 HA SER 35 HA SER 35 -9.922 7.694 -2.502 255 HB2 SER 35 2HB SER 35 -11.047 9.748 -3.322 256 HB3 SER 35 3HB SER 35 -10.505 9.392 -4.962 257 HG SER 35 HG SER 35 -12.546 8.601 -4.807 258 H GLU 36 H GLU 36 -8.285 8.333 -5.621 259 HA GLU 36 HA GLU 36 -8.881 5.970 -6.996 260 HB2 GLU 36 2HB GLU 36 -6.324 7.622 -7.181 261 HB3 GLU 36 3HB GLU 36 -6.878 6.463 -8.383 262 HG2 GLU 36 2HG GLU 36 -8.834 7.873 -8.857 263 HG3 GLU 36 3HG GLU 36 -8.308 9.020 -7.623 264 H LEU 37 H LEU 37 -6.594 6.603 -4.450 265 HA LEU 37 HA LEU 37 -4.901 4.346 -4.810 266 HB2 LEU 37 2HB LEU 37 -4.298 6.459 -3.558 267 HB3 LEU 37 3HB LEU 37 -5.363 5.928 -2.261 268 HG LEU 37 HG LEU 37 -3.944 3.863 -2.003 269 HD11 LEU 37 1HD1 LEU 37 -2.118 5.227 -3.983 270 HD12 LEU 37 2HD1 LEU 37 -3.023 3.732 -4.238 271 HD13 LEU 37 3HD1 LEU 37 -1.734 3.783 -3.041 272 HD21 LEU 37 3HD2 LEU 37 -2.437 6.467 -1.691 273 HD22 LEU 37 1HD2 LEU 37 -2.076 4.945 -0.870 274 HD23 LEU 37 2HD2 LEU 37 -3.589 5.786 -0.537 275 H GLN 38 H GLN 38 -7.819 4.952 -2.914 276 HA GLN 38 HA GLN 38 -7.837 2.529 -1.400 277 HB2 GLN 38 2HB GLN 38 -10.207 4.296 -2.199 278 HB3 GLN 38 3HB GLN 38 -10.168 3.144 -0.865 279 HG2 GLN 38 2HG GLN 38 -8.534 4.510 0.327 280 HG3 GLN 38 3HG GLN 38 -8.420 5.616 -1.040 281 HE21 GLN 38 1HE2 GLN 38 -10.429 4.579 1.637 282 HE22 GLN 38 2HE2 GLN 38 -11.515 5.921 1.589 283 H LYS 39 H LYS 39 -9.014 3.463 -4.577 284 HA LYS 39 HA LYS 39 -10.534 1.106 -5.178 285 HB2 LYS 39 2HB LYS 39 -9.525 3.451 -6.808 286 HB3 LYS 39 3HB LYS 39 -10.166 2.043 -7.634 287 HG2 LYS 39 2HG LYS 39 -11.884 3.685 -7.527 288 HG3 LYS 39 3HG LYS 39 -12.329 2.363 -6.459 289 HD2 LYS 39 2HD LYS 39 -10.931 4.719 -5.238 290 HD3 LYS 39 3HD LYS 39 -12.591 4.956 -5.768 291 HE2 LYS 39 2HE LYS 39 -11.696 2.802 -3.824 292 HE3 LYS 39 3HE LYS 39 -12.399 4.350 -3.363 293 HZ1 LYS 39 3HZ LYS 39 -14.413 3.754 -4.573 294 HZ2 LYS 39 1HZ LYS 39 -14.065 2.620 -3.368 295 HZ3 LYS 39 2HZ LYS 39 -13.747 2.258 -4.987 296 H VAL 40 H VAL 40 -7.218 2.221 -6.024 297 HA VAL 40 HA VAL 40 -6.688 0.065 -7.782 298 HB VAL 40 HB VAL 40 -5.397 2.160 -7.984 299 HG11 VAL 40 1HG1 VAL 40 -3.968 1.370 -5.432 300 HG12 VAL 40 2HG1 VAL 40 -5.091 2.715 -5.613 301 HG13 VAL 40 3HG1 VAL 40 -3.558 2.733 -6.482 302 HG21 VAL 40 3HG2 VAL 40 -4.486 0.082 -8.943 303 HG22 VAL 40 1HG2 VAL 40 -3.610 -0.235 -7.446 304 HG23 VAL 40 2HG2 VAL 40 -3.193 1.168 -8.435 305 H LEU 41 H LEU 41 -5.923 0.570 -4.313 306 HA LEU 41 HA LEU 41 -4.470 -1.834 -3.967 307 HB2 LEU 41 2HB LEU 41 -5.723 0.169 -2.131 308 HB3 LEU 41 3HB LEU 41 -5.499 -1.428 -1.448 309 HG LEU 41 HG LEU 41 -3.614 -0.108 -0.823 310 HD11 LEU 41 1HD1 LEU 41 -2.728 -2.006 -3.026 311 HD12 LEU 41 2HD1 LEU 41 -3.083 -2.430 -1.348 312 HD13 LEU 41 3HD1 LEU 41 -1.723 -1.380 -1.714 313 HD21 LEU 41 3HD2 LEU 41 -2.095 1.006 -2.388 314 HD22 LEU 41 1HD2 LEU 41 -3.730 1.657 -2.482 315 HD23 LEU 41 2HD2 LEU 41 -3.146 0.564 -3.740 316 H ASN 42 H ASN 42 -7.898 -1.187 -4.058 317 HA ASN 42 HA ASN 42 -8.880 -3.503 -2.771 318 HB2 ASN 42 2HB ASN 42 -10.309 -1.523 -3.240 319 HB3 ASN 42 3HB ASN 42 -10.189 -1.831 -4.970 320 HD21 ASN 42 1HD2 ASN 42 -11.378 -3.585 -5.867 321 HD22 ASN 42 2HD2 ASN 42 -12.664 -4.351 -4.995 322 H GLU 43 H GLU 43 -8.325 -2.810 -6.249 323 HA GLU 43 HA GLU 43 -8.972 -5.553 -7.033 324 HB2 GLU 43 2HB GLU 43 -8.503 -4.760 -9.347 325 HB3 GLU 43 3HB GLU 43 -9.697 -3.780 -8.503 326 HG2 GLU 43 2HG GLU 43 -7.974 -2.060 -8.056 327 HG3 GLU 43 3HG GLU 43 -6.779 -3.041 -8.903 328 H LEU 44 H LEU 44 -6.066 -3.681 -6.468 329 HA LEU 44 HA LEU 44 -4.208 -5.368 -7.831 330 HB2 LEU 44 2HB LEU 44 -3.780 -2.965 -7.204 331 HB3 LEU 44 3HB LEU 44 -3.680 -3.452 -5.522 332 HG LEU 44 HG LEU 44 -1.669 -4.836 -6.053 333 HD11 LEU 44 1HD1 LEU 44 -2.098 -5.422 -8.349 334 HD12 LEU 44 2HD1 LEU 44 -0.552 -4.584 -8.245 335 HD13 LEU 44 3HD1 LEU 44 -1.974 -3.735 -8.857 336 HD21 LEU 44 3HD2 LEU 44 -0.090 -2.986 -6.393 337 HD22 LEU 44 1HD2 LEU 44 -1.365 -2.534 -5.260 338 HD23 LEU 44 2HD2 LEU 44 -1.409 -1.938 -6.922 339 H LYS 45 H LYS 45 -5.556 -5.239 -4.597 340 HA LYS 45 HA LYS 45 -4.070 -6.982 -3.086 341 HB2 LYS 45 2HB LYS 45 -5.957 -5.709 -2.226 342 HB3 LYS 45 3HB LYS 45 -7.080 -6.603 -3.237 343 HG2 LYS 45 2HG LYS 45 -6.573 -8.660 -1.892 344 HG3 LYS 45 3HG LYS 45 -5.537 -7.673 -0.858 345 HD2 LYS 45 2HD LYS 45 -7.821 -8.022 0.107 346 HD3 LYS 45 3HD LYS 45 -7.436 -6.317 -0.142 347 HE2 LYS 45 2HE LYS 45 -8.772 -6.309 -2.213 348 HE3 LYS 45 3HE LYS 45 -9.108 -8.029 -2.020 349 HZ1 LYS 45 3HZ LYS 45 -10.348 -7.560 -0.033 350 HZ2 LYS 45 1HZ LYS 45 -10.942 -6.610 -1.297 351 HZ3 LYS 45 2HZ LYS 45 -9.957 -5.919 -0.107 352 H ASP 46 H ASP 46 -6.460 -7.780 -5.576 353 HA ASP 46 HA ASP 46 -6.634 -10.579 -5.179 354 HB2 ASP 46 2HB ASP 46 -8.342 -9.383 -6.460 355 HB3 ASP 46 3HB ASP 46 -7.158 -8.881 -7.660 356 H TYR 47 H TYR 47 -4.567 -8.571 -7.252 357 HA TYR 47 HA TYR 47 -3.280 -10.742 -8.631 358 HB2 TYR 47 2HB TYR 47 -2.223 -7.900 -8.340 359 HB3 TYR 47 3HB TYR 47 -1.892 -9.033 -9.642 360 HD1 TYR 47 HD2 TYR 47 -4.959 -9.855 -9.957 361 HD2 TYR 47 HD1 TYR 47 -2.904 -6.108 -9.812 362 HE1 TYR 47 HE2 TYR 47 -6.760 -8.808 -11.260 363 HE2 TYR 47 HE1 TYR 47 -4.703 -5.065 -11.113 364 HH TYR 47 HH TYR 47 -6.477 -5.665 -12.632 365 H ILE 48 H ILE 48 -2.604 -8.801 -5.823 366 HA ILE 48 HA ILE 48 0.045 -9.632 -5.199 367 HB ILE 48 HB ILE 48 -2.187 -8.337 -3.559 368 HG12 ILE 48 2HG1 ILE 48 0.399 -7.152 -4.675 369 HG13 ILE 48 3HG1 ILE 48 -1.203 -6.939 -5.374 370 HG21 ILE 48 1HG2 ILE 48 -0.591 -7.828 -1.775 371 HG22 ILE 48 2HG2 ILE 48 0.657 -8.721 -2.628 372 HG23 ILE 48 3HG2 ILE 48 -0.739 -9.575 -1.992 373 HD11 ILE 48 3HD1 ILE 48 -0.582 -4.973 -4.155 374 HD12 ILE 48 1HD1 ILE 48 -0.268 -5.910 -2.694 375 HD13 ILE 48 2HD1 ILE 48 -1.914 -5.767 -3.318 376 H LYS 49 H LYS 49 -3.152 -10.906 -4.553 377 HA LYS 49 HA LYS 49 -2.323 -12.868 -2.576 378 HB2 LYS 49 2HB LYS 49 -4.598 -11.610 -2.685 379 HB3 LYS 49 3HB LYS 49 -5.025 -12.733 -3.968 380 HG2 LYS 49 2HG LYS 49 -4.716 -14.630 -2.400 381 HG3 LYS 49 3HG LYS 49 -4.278 -13.485 -1.126 382 HD2 LYS 49 2HD LYS 49 -6.601 -12.405 -1.545 383 HD3 LYS 49 3HD LYS 49 -6.976 -13.868 -2.462 384 HE2 LYS 49 2HE LYS 49 -6.223 -13.720 0.475 385 HE3 LYS 49 3HE LYS 49 -7.819 -14.068 -0.185 386 HZ1 LYS 49 3HZ LYS 49 -6.804 -16.072 -1.234 387 HZ2 LYS 49 1HZ LYS 49 -6.842 -16.105 0.456 388 HZ3 LYS 49 2HZ LYS 49 -5.399 -15.767 -0.353 389 H LYS 50 H LYS 50 -3.047 -12.673 -5.984 390 HA LYS 50 HA LYS 50 -3.212 -15.428 -6.654 391 HB2 LYS 50 2HB LYS 50 -4.048 -13.576 -8.095 392 HB3 LYS 50 3HB LYS 50 -2.394 -13.031 -8.363 393 HG2 LYS 50 2HG LYS 50 -1.900 -15.198 -9.502 394 HG3 LYS 50 3HG LYS 50 -3.584 -15.678 -9.276 395 HD2 LYS 50 2HD LYS 50 -2.598 -13.308 -10.908 396 HD3 LYS 50 3HD LYS 50 -3.219 -14.823 -11.557 397 HE2 LYS 50 2HE LYS 50 -5.436 -14.325 -10.546 398 HE3 LYS 50 3HE LYS 50 -4.799 -12.799 -9.930 399 HZ1 LYS 50 3HZ LYS 50 -6.069 -12.593 -12.022 400 HZ2 LYS 50 1HZ LYS 50 -4.896 -13.516 -12.811 401 HZ3 LYS 50 2HZ LYS 50 -4.489 -12.015 -12.147 402 H GLN 51 H GLN 51 -0.578 -13.049 -6.809 403 HA GLN 51 HA GLN 51 1.476 -15.179 -6.916 404 HB2 GLN 51 2HB GLN 51 1.711 -12.153 -7.316 405 HB3 GLN 51 3HB GLN 51 3.038 -13.303 -7.444 406 HG2 GLN 51 2HG GLN 51 1.942 -14.378 -9.371 407 HG3 GLN 51 3HG GLN 51 0.589 -13.260 -9.230 408 HE21 GLN 51 1HE2 GLN 51 4.011 -12.356 -8.891 409 HE22 GLN 51 2HE2 GLN 51 4.067 -11.385 -10.318 410 H GLY 52 H GLY 52 3.536 -13.796 -5.630 411 HA2 GLY 52 2HA GLY 52 4.447 -13.194 -3.627 412 HA3 GLY 52 3HA GLY 52 2.860 -12.605 -3.146 413 H CYS 53 H CYS 53 4.462 -15.750 -3.784 414 HA CYS 53 HA CYS 53 2.839 -17.376 -2.216 415 HB2 CYS 53 2HB CYS 53 5.778 -17.749 -2.879 416 HB3 CYS 53 3HB CYS 53 4.709 -19.023 -2.290 417 H LYS 54 H LYS 54 6.011 -16.004 -1.322 418 HA LYS 54 HA LYS 54 5.657 -16.555 1.510 419 HB2 LYS 54 2HB LYS 54 7.797 -15.061 -0.076 420 HB3 LYS 54 3HB LYS 54 7.812 -15.136 1.679 421 HG2 LYS 54 2HG LYS 54 7.860 -17.610 -0.078 422 HG3 LYS 54 3HG LYS 54 9.317 -16.797 0.499 423 HD2 LYS 54 2HD LYS 54 8.557 -17.168 2.851 424 HD3 LYS 54 3HD LYS 54 7.155 -18.050 2.238 425 HE2 LYS 54 2HE LYS 54 10.059 -18.852 1.801 426 HE3 LYS 54 3HE LYS 54 8.973 -19.558 2.999 427 HZ1 LYS 54 3HZ LYS 54 7.554 -20.338 1.204 428 HZ2 LYS 54 1HZ LYS 54 9.128 -20.929 1.013 429 HZ3 LYS 54 2HZ LYS 54 8.582 -19.648 0.057 430 H ARG 55 H ARG 55 6.222 -13.532 -0.341 431 HA ARG 55 HA ARG 55 3.985 -12.183 0.909 432 HB2 ARG 55 2HB ARG 55 5.309 -10.299 1.832 433 HB3 ARG 55 3HB ARG 55 5.667 -11.806 2.656 434 HG2 ARG 55 2HG ARG 55 7.483 -10.972 0.401 435 HG3 ARG 55 3HG ARG 55 7.596 -10.104 1.931 436 HD2 ARG 55 2HD ARG 55 8.023 -12.236 3.112 437 HD3 ARG 55 3HD ARG 55 7.922 -13.106 1.581 438 HE ARG 55 HE ARG 55 9.966 -12.120 0.895 439 HH11 ARG 55 1HH1 ARG 55 9.183 -11.302 4.238 440 HH12 ARG 55 2HH1 ARG 55 10.810 -10.843 4.618 441 HH21 ARG 55 1HH2 ARG 55 12.081 -11.522 1.438 442 HH22 ARG 55 2HH2 ARG 55 12.437 -10.968 3.043 443 H SER 56 H SER 56 3.636 -10.033 0.063 444 HA SER 56 HA SER 56 5.295 -9.157 -2.215 445 HB2 SER 56 2HB SER 56 2.256 -8.961 -2.072 446 HB3 SER 56 3HB SER 56 3.270 -8.291 -3.348 447 HG SER 56 HG SER 56 2.266 -10.756 -3.120 448 H ARG 57 H ARG 57 6.136 -7.196 -1.719 449 HA ARG 57 HA ARG 57 5.147 -5.782 0.682 450 HB2 ARG 57 2HB ARG 57 7.502 -6.534 0.673 451 HB3 ARG 57 3HB ARG 57 7.805 -5.644 -0.815 452 HG2 ARG 57 2HG ARG 57 7.392 -3.506 0.386 453 HG3 ARG 57 3HG ARG 57 7.106 -4.413 1.875 454 HD2 ARG 57 2HD ARG 57 9.389 -3.508 1.835 455 HD3 ARG 57 3HD ARG 57 9.419 -5.275 1.795 456 HE ARG 57 HE ARG 57 9.591 -3.796 -0.746 457 HH11 ARG 57 1HH1 ARG 57 11.262 -5.777 1.647 458 HH12 ARG 57 2HH1 ARG 57 12.601 -6.111 0.595 459 HH21 ARG 57 1HH2 ARG 57 11.344 -4.254 -2.093 460 HH22 ARG 57 2HH2 ARG 57 12.644 -5.251 -1.516 461 H THR 58 H THR 58 4.051 -3.897 0.431 462 HA THR 58 HA THR 58 4.201 -2.416 -2.122 463 HB THR 58 HB THR 58 2.105 -2.045 0.064 464 HG1 THR 58 HG1 THR 58 1.373 -3.910 -0.607 465 HG21 THR 58 3HG2 THR 58 2.309 -0.156 -1.530 466 HG22 THR 58 1HG2 THR 58 0.774 -1.010 -1.736 467 HG23 THR 58 2HG2 THR 58 2.093 -1.277 -2.877 468 H SER 59 H SER 59 4.670 -0.224 -2.126 469 HA SER 59 HA SER 59 5.550 1.129 0.324 470 HB2 SER 59 2HB SER 59 7.493 -0.152 -0.765 471 HB3 SER 59 3HB SER 59 7.317 0.901 -2.164 472 HG SER 59 HG SER 59 7.885 1.709 0.491 473 H ILE 60 H ILE 60 4.671 3.171 0.260 474 HA ILE 60 HA ILE 60 3.719 4.303 -2.317 475 HB ILE 60 HB ILE 60 2.217 4.195 0.343 476 HG12 ILE 60 2HG1 ILE 60 1.605 2.943 -2.367 477 HG13 ILE 60 3HG1 ILE 60 2.040 2.091 -0.889 478 HG21 ILE 60 1HG2 ILE 60 1.340 5.604 -2.199 479 HG22 ILE 60 2HG2 ILE 60 1.859 6.396 -0.710 480 HG23 ILE 60 3HG2 ILE 60 0.383 5.431 -0.727 481 HD11 ILE 60 3HD1 ILE 60 -0.075 2.846 0.135 482 HD12 ILE 60 1HD1 ILE 60 -0.306 1.863 -1.309 483 HD13 ILE 60 2HD1 ILE 60 -0.519 3.609 -1.397 484 H THR 61 H THR 61 3.981 6.494 -2.589 485 HA THR 61 HA THR 61 5.930 7.934 -1.236 486 HB THR 61 HB THR 61 3.640 9.035 -2.931 487 HG1 THR 61 HG1 THR 61 6.265 8.250 -3.735 488 HG21 THR 61 3HG2 THR 61 6.370 10.234 -2.324 489 HG22 THR 61 1HG2 THR 61 4.816 10.847 -1.744 490 HG23 THR 61 2HG2 THR 61 5.195 10.888 -3.466 491 H ALA 62 H ALA 62 5.942 9.139 0.559 492 HA ALA 62 HA ALA 62 3.476 10.300 1.706 493 HB1 ALA 62 3HB ALA 62 5.600 8.773 3.267 494 HB2 ALA 62 1HB ALA 62 3.958 8.214 2.938 495 HB3 ALA 62 2HB ALA 62 4.217 9.624 3.966 496 H ARG 63 H ARG 63 3.799 12.435 2.315 497 HA ARG 63 HA ARG 63 6.520 13.522 2.000 498 HB2 ARG 63 2HB ARG 63 3.831 14.931 2.199 499 HB3 ARG 63 3HB ARG 63 5.372 15.758 2.026 500 HG2 ARG 63 2HG ARG 63 4.115 13.878 -0.002 501 HG3 ARG 63 3HG ARG 63 4.203 15.634 -0.117 502 HD2 ARG 63 2HD ARG 63 5.918 14.852 -1.537 503 HD3 ARG 63 3HD ARG 63 6.760 15.353 -0.066 504 HE ARG 63 HE ARG 63 6.107 12.597 0.061 505 HH11 ARG 63 1HH1 ARG 63 8.384 14.715 -1.596 506 HH12 ARG 63 2HH1 ARG 63 9.580 13.471 -1.775 507 HH21 ARG 63 1HH2 ARG 63 7.729 11.008 -0.110 508 HH22 ARG 63 2HH2 ARG 63 9.207 11.386 -0.937 509 H THR 64 H THR 64 3.916 13.394 4.394 510 HA THR 64 HA THR 64 5.889 13.913 6.548 511 HB THR 64 HB THR 64 4.039 14.851 7.923 512 HG1 THR 64 HG1 THR 64 2.028 15.351 6.711 513 HG21 THR 64 3HG2 THR 64 4.244 16.238 5.214 514 HG22 THR 64 1HG2 THR 64 5.346 16.469 6.577 515 HG23 THR 64 2HG2 THR 64 3.662 16.978 6.708 516 H LYS 65 H LYS 65 5.093 12.858 8.676 517 HA LYS 65 HA LYS 65 4.665 10.079 8.340 518 HB2 LYS 65 2HB LYS 65 4.308 11.773 10.849 519 HB3 LYS 65 3HB LYS 65 4.248 10.014 10.817 520 HG2 LYS 65 2HG LYS 65 6.642 10.091 9.904 521 HG3 LYS 65 3HG LYS 65 6.649 11.800 10.357 522 HD2 LYS 65 2HD LYS 65 6.200 9.430 12.219 523 HD3 LYS 65 3HD LYS 65 7.636 10.454 12.165 524 HE2 LYS 65 2HE LYS 65 6.388 12.353 13.010 525 HE3 LYS 65 3HE LYS 65 4.859 11.481 12.867 526 HZ1 LYS 65 3HZ LYS 65 5.659 9.915 14.542 527 HZ2 LYS 65 1HZ LYS 65 5.599 11.492 15.145 528 HZ3 LYS 65 2HZ LYS 65 7.083 10.805 14.717 529 H LYS 66 H LYS 66 2.500 12.785 8.791 530 HA LYS 66 HA LYS 66 0.169 11.363 9.566 531 HB2 LYS 66 2HB LYS 66 0.632 13.830 9.897 532 HB3 LYS 66 3HB LYS 66 0.335 14.078 8.186 533 HG2 LYS 66 2HG LYS 66 -1.835 12.700 9.731 534 HG3 LYS 66 3HG LYS 66 -1.567 14.400 10.106 535 HD2 LYS 66 2HD LYS 66 -2.110 13.311 7.317 536 HD3 LYS 66 3HD LYS 66 -3.329 14.021 8.377 537 HE2 LYS 66 2HE LYS 66 -2.133 16.169 8.357 538 HE3 LYS 66 3HE LYS 66 -0.860 15.463 7.355 539 HZ1 LYS 66 3HZ LYS 66 -2.421 15.156 5.582 540 HZ2 LYS 66 1HZ LYS 66 -2.471 16.768 6.082 541 HZ3 LYS 66 2HZ LYS 66 -3.705 15.698 6.537 542 H GLU 67 H GLU 67 1.603 12.163 6.450 543 HA GLU 67 HA GLU 67 -0.552 11.181 4.825 544 HB2 GLU 67 2HB GLU 67 2.388 11.444 4.063 545 HB3 GLU 67 3HB GLU 67 1.022 11.349 2.956 546 HG2 GLU 67 2HG GLU 67 1.678 13.629 4.837 547 HG3 GLU 67 3HG GLU 67 1.844 13.634 3.089 548 H ALA 68 H ALA 68 2.393 9.861 6.179 549 HA ALA 68 HA ALA 68 2.450 7.382 4.823 550 HB1 ALA 68 3HB ALA 68 4.423 8.441 5.870 551 HB2 ALA 68 1HB ALA 68 4.186 6.792 6.449 552 HB3 ALA 68 2HB ALA 68 3.726 8.160 7.468 553 H GLU 69 H GLU 69 0.936 8.400 7.871 554 HA GLU 69 HA GLU 69 0.382 5.674 8.727 555 HB2 GLU 69 2HB GLU 69 -0.629 6.686 10.716 556 HB3 GLU 69 3HB GLU 69 0.961 7.373 10.403 557 HG2 GLU 69 2HG GLU 69 -0.195 9.349 9.338 558 HG3 GLU 69 3HG GLU 69 -1.726 8.665 9.877 559 H LYS 70 H LYS 70 -1.413 8.323 7.187 560 HA LYS 70 HA LYS 70 -4.001 7.167 7.544 561 HB2 LYS 70 2HB LYS 70 -4.844 8.830 5.989 562 HB3 LYS 70 3HB LYS 70 -3.680 9.591 7.061 563 HG2 LYS 70 2HG LYS 70 -1.971 9.461 5.250 564 HG3 LYS 70 3HG LYS 70 -3.193 8.779 4.182 565 HD2 LYS 70 2HD LYS 70 -4.551 10.879 4.466 566 HD3 LYS 70 3HD LYS 70 -3.233 11.561 5.427 567 HE2 LYS 70 2HE LYS 70 -1.720 11.326 3.470 568 HE3 LYS 70 3HE LYS 70 -3.062 10.688 2.523 569 HZ1 LYS 70 3HZ LYS 70 -2.688 13.027 2.090 570 HZ2 LYS 70 1HZ LYS 70 -2.934 13.399 3.720 571 HZ3 LYS 70 2HZ LYS 70 -4.209 12.787 2.789 572 H PHE 71 H PHE 71 -1.516 6.924 5.037 573 HA PHE 71 HA PHE 71 -3.114 5.120 3.397 574 HB2 PHE 71 2HB PHE 71 -0.329 6.215 3.072 575 HB3 PHE 71 3HB PHE 71 -1.057 5.060 1.950 576 HD1 PHE 71 HD1 PHE 71 -3.847 6.928 2.846 577 HD2 PHE 71 HD2 PHE 71 -0.202 7.318 0.759 578 HE1 PHE 71 HE1 PHE 71 -4.811 8.758 1.530 579 HE2 PHE 71 HE2 PHE 71 -1.135 9.195 -0.555 580 HZ PHE 71 HZ PHE 71 -3.447 9.887 -0.169 581 H ALA 72 H ALA 72 -0.773 4.817 5.940 582 HA ALA 72 HA ALA 72 0.083 2.172 5.591 583 HB1 ALA 72 3HB ALA 72 0.955 3.617 7.393 584 HB2 ALA 72 1HB ALA 72 0.360 2.088 8.044 585 HB3 ALA 72 2HB ALA 72 -0.608 3.555 8.212 586 H ALA 73 H ALA 73 -2.880 3.518 7.007 587 HA ALA 73 HA ALA 73 -4.168 1.193 7.838 588 HB1 ALA 73 3HB ALA 73 -5.424 3.749 6.782 589 HB2 ALA 73 1HB ALA 73 -4.916 3.452 8.445 590 HB3 ALA 73 2HB ALA 73 -6.242 2.517 7.751 591 H ILE 74 H ILE 74 -4.138 2.752 4.657 592 HA ILE 74 HA ILE 74 -6.066 1.187 3.315 593 HB ILE 74 HB ILE 74 -3.643 2.706 2.189 594 HG12 ILE 74 2HG1 ILE 74 -6.579 3.517 2.481 595 HG13 ILE 74 3HG1 ILE 74 -5.221 4.168 3.390 596 HG21 ILE 74 1HG2 ILE 74 -4.410 1.024 0.552 597 HG22 ILE 74 2HG2 ILE 74 -4.788 2.652 -0.008 598 HG23 ILE 74 3HG2 ILE 74 -6.060 1.633 0.671 599 HD11 ILE 74 3HD1 ILE 74 -4.296 5.135 1.320 600 HD12 ILE 74 1HD1 ILE 74 -5.925 5.720 1.683 601 HD13 ILE 74 2HD1 ILE 74 -5.695 4.509 0.425 602 H LEU 75 H LEU 75 -2.629 0.649 3.927 603 HA LEU 75 HA LEU 75 -2.435 -1.625 2.129 604 HB2 LEU 75 2HB LEU 75 -0.466 -0.479 4.149 605 HB3 LEU 75 3HB LEU 75 -0.100 -1.790 3.035 606 HG LEU 75 HG LEU 75 -0.754 1.083 2.276 607 HD11 LEU 75 1HD1 LEU 75 1.516 0.821 3.152 608 HD12 LEU 75 2HD1 LEU 75 1.547 1.173 1.426 609 HD13 LEU 75 3HD1 LEU 75 1.836 -0.475 1.996 610 HD21 LEU 75 3HD2 LEU 75 -1.734 -0.390 0.632 611 HD22 LEU 75 1HD2 LEU 75 -0.229 -1.305 0.484 612 HD23 LEU 75 2HD2 LEU 75 -0.304 0.373 -0.049 613 H ILE 76 H ILE 76 -2.517 -1.091 5.636 614 HA ILE 76 HA ILE 76 -1.972 -3.725 6.485 615 HB ILE 76 HB ILE 76 -3.389 -1.403 7.874 616 HG12 ILE 76 2HG1 ILE 76 -0.563 -2.490 8.299 617 HG13 ILE 76 3HG1 ILE 76 -0.937 -1.159 7.214 618 HG21 ILE 76 1HG2 ILE 76 -3.040 -2.571 10.033 619 HG22 ILE 76 2HG2 ILE 76 -2.476 -3.999 9.166 620 HG23 ILE 76 3HG2 ILE 76 -4.145 -3.462 8.978 621 HD11 ILE 76 3HD1 ILE 76 -1.400 -1.149 10.194 622 HD12 ILE 76 1HD1 ILE 76 -1.706 0.180 9.069 623 HD13 ILE 76 2HD1 ILE 76 -0.058 -0.387 9.338 624 H LYS 77 H LYS 77 -4.999 -2.116 5.577 625 HA LYS 77 HA LYS 77 -6.825 -4.136 6.359 626 HB2 LYS 77 2HB LYS 77 -6.936 -1.673 4.689 627 HB3 LYS 77 3HB LYS 77 -8.060 -2.911 4.169 628 HG2 LYS 77 2HG LYS 77 -9.245 -1.461 5.615 629 HG3 LYS 77 3HG LYS 77 -8.999 -2.967 6.491 630 HD2 LYS 77 2HD LYS 77 -7.161 -0.587 6.905 631 HD3 LYS 77 3HD LYS 77 -8.699 -0.703 7.753 632 HE2 LYS 77 2HE LYS 77 -7.931 -2.911 8.680 633 HE3 LYS 77 3HE LYS 77 -6.351 -2.612 7.962 634 HZ1 LYS 77 3HZ LYS 77 -6.199 -0.587 9.299 635 HZ2 LYS 77 1HZ LYS 77 -6.370 -1.959 10.269 636 HZ3 LYS 77 2HZ LYS 77 -7.686 -0.930 10.017 637 H VAL 78 H VAL 78 -5.134 -3.540 3.283 638 HA VAL 78 HA VAL 78 -6.193 -5.601 1.717 639 HB VAL 78 HB VAL 78 -3.492 -4.184 1.655 640 HG11 VAL 78 1HG1 VAL 78 -4.464 -6.196 -0.407 641 HG12 VAL 78 2HG1 VAL 78 -3.065 -6.383 0.650 642 HG13 VAL 78 3HG1 VAL 78 -3.067 -5.137 -0.600 643 HG21 VAL 78 3HG2 VAL 78 -5.924 -4.011 -0.156 644 HG22 VAL 78 1HG2 VAL 78 -4.446 -3.061 -0.330 645 HG23 VAL 78 2HG2 VAL 78 -5.474 -2.841 1.086 646 H TYR 79 H TYR 79 -3.212 -5.596 3.678 647 HA TYR 79 HA TYR 79 -2.454 -8.278 3.130 648 HB2 TYR 79 2HB TYR 79 -1.570 -6.317 5.285 649 HB3 TYR 79 3HB TYR 79 -0.867 -7.921 5.123 650 HD1 TYR 79 HD2 TYR 79 -1.687 -5.108 2.740 651 HD2 TYR 79 HD1 TYR 79 1.249 -7.875 4.140 652 HE1 TYR 79 HE2 TYR 79 -0.071 -4.188 1.146 653 HE2 TYR 79 HE1 TYR 79 2.866 -6.956 2.542 654 HH TYR 79 HH TYR 79 2.929 -5.691 0.508 655 H ALA 80 H ALA 80 -4.489 -6.830 5.586 656 HA ALA 80 HA ALA 80 -4.617 -8.987 7.422 657 HB1 ALA 80 3HB ALA 80 -6.682 -6.837 6.861 658 HB2 ALA 80 1HB ALA 80 -5.338 -6.708 7.997 659 HB3 ALA 80 2HB ALA 80 -6.629 -7.878 8.288 660 H GLU 81 H GLU 81 -6.516 -8.123 4.555 661 HA GLU 81 HA GLU 81 -8.396 -10.277 4.711 662 HB2 GLU 81 2HB GLU 81 -7.600 -8.471 2.398 663 HB3 GLU 81 3HB GLU 81 -8.934 -9.621 2.339 664 HG2 GLU 81 2HG GLU 81 -10.046 -8.406 4.199 665 HG3 GLU 81 3HG GLU 81 -8.721 -7.244 4.208 666 H LEU 82 H LEU 82 -5.183 -9.912 3.331 667 HA LEU 82 HA LEU 82 -5.198 -12.338 1.781 668 HB2 LEU 82 2HB LEU 82 -2.782 -10.869 2.917 669 HB3 LEU 82 3HB LEU 82 -2.781 -12.026 1.593 670 HG LEU 82 HG LEU 82 -3.949 -9.227 1.562 671 HD11 LEU 82 1HD1 LEU 82 -2.274 -8.765 -0.150 672 HD12 LEU 82 2HD1 LEU 82 -1.622 -10.396 0.034 673 HD13 LEU 82 3HD1 LEU 82 -1.534 -9.251 1.376 674 HD21 LEU 82 3HD2 LEU 82 -4.070 -11.316 -0.624 675 HD22 LEU 82 1HD2 LEU 82 -4.480 -9.611 -0.818 676 HD23 LEU 82 2HD2 LEU 82 -5.429 -10.622 0.264 677 H GLY 83 H GLY 83 -4.411 -11.448 5.072 678 HA2 GLY 83 2HA GLY 83 -4.142 -12.599 7.010 679 HA3 GLY 83 3HA GLY 83 -5.279 -13.721 6.293 680 H TYR 84 H TYR 84 -1.823 -13.026 5.555 681 HA TYR 84 HA TYR 84 -1.098 -15.767 5.432 682 HB2 TYR 84 2HB TYR 84 0.567 -13.227 5.611 683 HB3 TYR 84 3HB TYR 84 1.324 -14.819 5.623 684 HD1 TYR 84 HD2 TYR 84 -0.778 -12.519 3.581 685 HD2 TYR 84 HD1 TYR 84 1.547 -16.108 3.575 686 HE1 TYR 84 HE2 TYR 84 -0.933 -12.618 1.139 687 HE2 TYR 84 HE1 TYR 84 1.390 -16.205 1.116 688 HH TYR 84 HH TYR 84 0.518 -13.686 -0.791 689 H ASN 85 H ASN 85 -0.178 -13.318 7.871 690 HA ASN 85 HA ASN 85 -0.911 -15.060 10.054 691 HB2 ASN 85 2HB ASN 85 1.405 -15.843 9.627 692 HB3 ASN 85 3HB ASN 85 2.003 -14.191 9.746 693 HD21 ASN 85 1HD2 ASN 85 0.835 -16.954 11.546 694 HD22 ASN 85 2HD2 ASN 85 1.275 -16.362 13.108 695 H ASP 86 H ASP 86 1.312 -12.273 9.784 696 HA ASP 86 HA ASP 86 -0.607 -10.543 11.221 697 HB2 ASP 86 2HB ASP 86 1.021 -11.615 12.848 698 HB3 ASP 86 3HB ASP 86 2.344 -10.856 11.975 699 H ILE 87 H ILE 87 0.369 -8.178 11.194 700 HA ILE 87 HA ILE 87 1.211 -7.626 8.409 701 HB ILE 87 HB ILE 87 -0.152 -5.611 10.255 702 HG12 ILE 87 2HG1 ILE 87 -1.716 -7.502 10.169 703 HG13 ILE 87 3HG1 ILE 87 -2.349 -6.180 9.199 704 HG21 ILE 87 1HG2 ILE 87 -0.800 -4.532 8.127 705 HG22 ILE 87 2HG2 ILE 87 0.027 -5.800 7.224 706 HG23 ILE 87 3HG2 ILE 87 0.952 -4.710 8.259 707 HD11 ILE 87 3HD1 ILE 87 -2.738 -8.275 8.108 708 HD12 ILE 87 1HD1 ILE 87 -1.027 -8.688 8.188 709 HD13 ILE 87 2HD1 ILE 87 -1.567 -7.352 7.170 710 H ASN 88 H ASN 88 3.252 -6.829 8.199 711 HA ASN 88 HA ASN 88 4.569 -5.416 10.446 712 HB2 ASN 88 2HB ASN 88 5.893 -7.205 9.311 713 HB3 ASN 88 3HB ASN 88 5.725 -6.370 7.769 714 HD21 ASN 88 1HD2 ASN 88 7.965 -6.090 7.502 715 HD22 ASN 88 2HD2 ASN 88 8.906 -5.020 8.485 716 H VAL 89 H VAL 89 4.093 -3.274 10.451 717 HA VAL 89 HA VAL 89 4.122 -1.779 7.882 718 HB VAL 89 HB VAL 89 2.014 -1.508 9.162 719 HG11 VAL 89 1HG1 VAL 89 3.685 -0.294 11.383 720 HG12 VAL 89 2HG1 VAL 89 2.827 -1.835 11.451 721 HG13 VAL 89 3HG1 VAL 89 1.920 -0.326 11.312 722 HG21 VAL 89 3HG2 VAL 89 1.904 0.956 9.126 723 HG22 VAL 89 1HG2 VAL 89 2.784 0.330 7.730 724 HG23 VAL 89 2HG2 VAL 89 3.667 1.040 9.082 725 H THR 90 H THR 90 5.629 -0.196 7.606 726 HA THR 90 HA THR 90 7.335 0.716 9.808 727 HB THR 90 HB THR 90 8.501 -0.393 7.199 728 HG1 THR 90 HG1 THR 90 8.170 -1.531 9.759 729 HG21 THR 90 3HG2 THR 90 9.898 0.639 9.700 730 HG22 THR 90 1HG2 THR 90 9.839 1.467 8.137 731 HG23 THR 90 2HG2 THR 90 10.690 -0.071 8.293 732 H TRP 91 H TRP 91 7.467 2.856 9.672 733 HA TRP 91 HA TRP 91 6.824 4.265 7.167 734 HB2 TRP 91 2HB TRP 91 6.981 5.298 10.035 735 HB3 TRP 91 3HB TRP 91 6.484 6.242 8.633 736 HD1 TRP 91 HD1 TRP 91 4.119 5.412 7.429 737 HE1 TRP 91 HE1 TRP 91 2.006 4.444 8.492 738 HE3 TRP 91 HE3 TRP 91 6.086 3.840 11.879 739 HZ2 TRP 91 HZ2 TRP 91 1.245 3.158 10.872 740 HZ3 TRP 91 HZ3 TRP 91 4.593 2.729 13.493 741 HH2 TRP 91 HH2 TRP 91 2.220 2.396 13.001 742 H ASP 92 H ASP 92 8.654 4.468 5.984 743 HA ASP 92 HA ASP 92 11.297 4.942 6.946 744 HB2 ASP 92 2HB ASP 92 10.105 5.644 4.217 745 HB3 ASP 92 3HB ASP 92 11.823 5.550 4.592 746 H GLY 93 H GLY 93 8.547 6.955 6.476 747 HA2 GLY 93 2HA GLY 93 8.386 9.159 7.404 748 HA3 GLY 93 3HA GLY 93 10.068 9.453 6.973 749 H ASP 94 H ASP 94 10.458 8.907 4.546 750 HA ASP 94 HA ASP 94 8.801 10.744 3.003 751 HB2 ASP 94 2HB ASP 94 11.237 9.197 2.031 752 HB3 ASP 94 3HB ASP 94 10.546 10.658 1.333 753 H THR 95 H THR 95 8.925 7.399 3.571 754 HA THR 95 HA THR 95 6.847 6.934 1.554 755 HB THR 95 HB THR 95 9.134 4.910 1.846 756 HG1 THR 95 HG1 THR 95 8.955 7.192 0.202 757 HG21 THR 95 3HG2 THR 95 8.298 4.057 -0.291 758 HG22 THR 95 1HG2 THR 95 7.072 5.325 -0.346 759 HG23 THR 95 2HG2 THR 95 6.993 4.071 0.899 760 H VAL 96 H VAL 96 5.260 5.457 2.318 761 HA VAL 96 HA VAL 96 5.722 4.100 4.910 762 HB VAL 96 HB VAL 96 3.613 5.304 4.865 763 HG11 VAL 96 1HG1 VAL 96 1.778 4.837 3.294 764 HG12 VAL 96 2HG1 VAL 96 2.818 3.723 2.401 765 HG13 VAL 96 3HG1 VAL 96 3.207 5.443 2.450 766 HG21 VAL 96 3HG2 VAL 96 3.625 3.165 6.083 767 HG22 VAL 96 1HG2 VAL 96 3.077 2.318 4.634 768 HG23 VAL 96 2HG2 VAL 96 2.024 3.497 5.422 769 H THR 97 H THR 97 5.902 1.879 5.010 770 HA THR 97 HA THR 97 5.675 0.298 2.521 771 HB THR 97 HB THR 97 8.100 0.335 4.384 772 HG1 THR 97 HG1 THR 97 8.269 2.099 3.086 773 HG21 THR 97 3HG2 THR 97 9.150 -1.168 2.716 774 HG22 THR 97 1HG2 THR 97 7.632 -1.250 1.821 775 HG23 THR 97 2HG2 THR 97 7.734 -1.920 3.453 776 H VAL 98 H VAL 98 4.437 -1.428 2.917 777 HA VAL 98 HA VAL 98 4.419 -2.692 5.603 778 HB VAL 98 HB VAL 98 2.077 -2.392 3.658 779 HG11 VAL 98 1HG1 VAL 98 0.694 -3.559 5.353 780 HG12 VAL 98 2HG1 VAL 98 2.144 -3.874 6.308 781 HG13 VAL 98 3HG1 VAL 98 1.964 -4.609 4.714 782 HG21 VAL 98 3HG2 VAL 98 2.491 -1.271 6.455 783 HG22 VAL 98 1HG2 VAL 98 1.020 -1.092 5.494 784 HG23 VAL 98 2HG2 VAL 98 2.526 -0.346 4.952 785 H GLU 99 H GLU 99 4.398 -4.939 5.668 786 HA GLU 99 HA GLU 99 4.729 -6.562 3.283 787 HB2 GLU 99 2HB GLU 99 6.987 -5.414 3.889 788 HB3 GLU 99 3HB GLU 99 7.010 -6.442 5.306 789 HG2 GLU 99 2HG GLU 99 6.607 -7.966 2.809 790 HG3 GLU 99 3HG GLU 99 8.103 -7.039 2.797 791 H GLY 100 H GLY 100 5.152 -8.950 4.063 792 HA2 GLY 100 2HA GLY 100 3.045 -9.592 5.933 793 HA3 GLY 100 3HA GLY 100 4.045 -10.725 5.039 794 H GLN 101 H GLN 101 3.300 -9.805 8.109 795 HA GLN 101 HA GLN 101 5.993 -10.267 9.259 796 HB2 GLN 101 2HB GLN 101 4.586 -8.311 10.048 797 HB3 GLN 101 3HB GLN 101 3.409 -9.448 10.675 798 HG2 GLN 101 2HG GLN 101 4.685 -8.757 12.541 799 HG3 GLN 101 3HG GLN 101 5.281 -10.370 12.152 800 HE21 GLN 101 1HE2 GLN 101 6.007 -6.947 12.075 801 HE22 GLN 101 2HE2 GLN 101 7.710 -7.122 11.833 802 H LEU 102 H LEU 102 6.450 -12.147 10.332 803 HA LEU 102 HA LEU 102 4.247 -14.022 10.997 804 HB2 LEU 102 2HB LEU 102 6.426 -14.660 9.545 805 HB3 LEU 102 3HB LEU 102 7.162 -14.845 11.123 806 HG LEU 102 HG LEU 102 4.727 -16.380 10.117 807 HD11 LEU 102 1HD1 LEU 102 6.762 -17.049 8.958 808 HD12 LEU 102 2HD1 LEU 102 6.199 -18.334 10.024 809 HD13 LEU 102 3HD1 LEU 102 7.578 -17.334 10.498 810 HD21 LEU 102 3HD2 LEU 102 6.247 -16.751 12.716 811 HD22 LEU 102 1HD2 LEU 102 4.955 -17.795 12.114 812 HD23 LEU 102 2HD2 LEU 102 4.608 -16.122 12.545 813 H GLU 103 H GLU 103 3.563 -13.444 12.954 814 HA GLU 103 HA GLU 103 5.413 -13.259 15.229 815 HB2 GLU 103 2HB GLU 103 4.317 -10.920 14.008 816 HB3 GLU 103 3HB GLU 103 3.335 -11.172 15.438 817 HG2 GLU 103 2HG GLU 103 6.333 -10.780 15.320 818 HG3 GLU 103 3HG GLU 103 5.140 -9.665 15.976 819 H GLY 104 H GLY 104 3.395 -12.425 17.093 820 HA2 GLY 104 2HA GLY 104 1.300 -13.118 17.992 821 HA3 GLY 104 3HA GLY 104 1.364 -14.571 16.998 822 H VAL 105 H VAL 105 4.223 -13.473 18.733 823 HA VAL 105 HA VAL 105 4.359 -15.902 20.265 824 HB VAL 105 HB VAL 105 6.072 -13.368 20.423 825 HG11 VAL 105 1HG1 VAL 105 7.711 -14.705 21.707 826 HG12 VAL 105 2HG1 VAL 105 6.589 -16.066 21.739 827 HG13 VAL 105 3HG1 VAL 105 6.182 -14.568 22.580 828 HG21 VAL 105 3HG2 VAL 105 6.260 -14.555 18.266 829 HG22 VAL 105 1HG2 VAL 105 6.630 -16.061 19.113 830 HG23 VAL 105 2HG2 VAL 105 7.756 -14.703 19.191 831 H ASP 106 H ASP 106 2.690 -16.109 21.648 832 HA ASP 106 HA ASP 106 1.961 -13.955 23.517 833 HB2 ASP 106 2HB ASP 106 0.133 -14.947 22.183 834 HB3 ASP 106 3HB ASP 106 0.541 -16.550 22.783 Start of MODEL 10 1 H1 MET 1 1H MET 1 14.437 18.510 -19.924 2 H2 MET 1 2H MET 1 14.407 16.870 -19.524 3 H3 MET 1 3H MET 1 15.885 17.676 -19.670 4 HA MET 1 HA MET 1 15.477 18.982 -17.781 5 HB2 MET 1 2HB MET 1 13.346 18.753 -16.486 6 HB3 MET 1 3HB MET 1 13.092 19.384 -18.102 7 HG2 MET 1 2HG MET 1 12.313 17.158 -18.845 8 HG3 MET 1 3HG MET 1 12.558 16.538 -17.215 9 HE1 MET 1 3HE MET 1 10.379 18.834 -19.539 10 HE2 MET 1 1HE MET 1 11.009 20.045 -18.414 11 HE3 MET 1 2HE MET 1 9.299 19.613 -18.387 12 H HIS 2 H HIS 2 16.788 16.526 -18.423 13 HA HIS 2 HA HIS 2 16.331 14.569 -16.346 14 HB2 HIS 2 2HB HIS 2 18.512 14.870 -18.458 15 HB3 HIS 2 3HB HIS 2 18.563 13.600 -17.240 16 HD1 HIS 2 HD1 HIS 2 17.175 11.540 -17.656 17 HD2 HIS 2 HD2 HIS 2 16.301 14.583 -20.350 18 HE1 HIS 2 HE1 HIS 2 15.685 10.504 -19.384 19 HE2 HIS 2 HE2 HIS 2 15.244 12.334 -21.046 20 H HIS 3 H HIS 3 16.414 15.974 -14.569 21 HA HIS 3 HA HIS 3 18.958 16.214 -13.223 22 HB2 HIS 3 2HB HIS 3 18.901 18.326 -14.626 23 HB3 HIS 3 3HB HIS 3 17.373 18.765 -13.880 24 HD1 HIS 3 HD1 HIS 3 21.015 18.943 -13.438 25 HD2 HIS 3 HD2 HIS 3 17.641 19.594 -11.102 26 HE1 HIS 3 HE1 HIS 3 21.818 20.224 -11.438 27 HE2 HIS 3 HE2 HIS 3 19.739 20.757 -10.134 28 H HIS 4 H HIS 4 18.575 16.580 -10.925 29 HA HIS 4 HA HIS 4 16.092 15.610 -9.949 30 HB2 HIS 4 2HB HIS 4 18.484 16.814 -8.501 31 HB3 HIS 4 3HB HIS 4 17.067 16.187 -7.660 32 HD1 HIS 4 HD1 HIS 4 20.312 15.132 -8.698 33 HD2 HIS 4 HD2 HIS 4 16.576 13.315 -8.508 34 HE1 HIS 4 HE1 HIS 4 20.758 12.666 -8.715 35 HE2 HIS 4 HE2 HIS 4 18.495 11.589 -8.635 36 H HIS 5 H HIS 5 14.471 16.902 -10.627 37 HA HIS 5 HA HIS 5 14.242 19.648 -9.538 38 HB2 HIS 5 2HB HIS 5 12.488 19.985 -11.304 39 HB3 HIS 5 3HB HIS 5 14.078 19.645 -11.969 40 HD1 HIS 5 HD1 HIS 5 14.296 17.603 -13.495 41 HD2 HIS 5 HD2 HIS 5 10.579 17.838 -11.652 42 HE1 HIS 5 HE1 HIS 5 12.887 15.844 -14.589 43 HE2 HIS 5 HE2 HIS 5 10.657 15.984 -13.455 44 H HIS 6 H HIS 6 12.387 20.184 -8.364 45 HA HIS 6 HA HIS 6 10.511 18.032 -7.604 46 HB2 HIS 6 2HB HIS 6 12.284 18.134 -5.871 47 HB3 HIS 6 3HB HIS 6 11.999 19.859 -5.663 48 HD1 HIS 6 HD1 HIS 6 10.586 16.502 -4.794 49 HD2 HIS 6 HD2 HIS 6 9.718 20.507 -4.107 50 HE1 HIS 6 HE1 HIS 6 8.840 16.517 -2.992 51 HE2 HIS 6 HE2 HIS 6 8.384 18.944 -2.539 52 H HIS 7 H HIS 7 8.505 18.715 -7.932 53 HA HIS 7 HA HIS 7 7.787 21.570 -7.929 54 HB2 HIS 7 2HB HIS 7 6.192 19.087 -8.721 55 HB3 HIS 7 3HB HIS 7 5.561 20.730 -8.782 56 HD1 HIS 7 HD1 HIS 7 6.253 22.187 -10.758 57 HD2 HIS 7 HD2 HIS 7 8.055 18.443 -10.773 58 HE1 HIS 7 HE1 HIS 7 7.232 21.920 -13.048 59 HE2 HIS 7 HE2 HIS 7 8.484 19.743 -12.963 60 H ARG 8 H ARG 8 5.756 22.168 -6.832 61 HA ARG 8 HA ARG 8 5.538 21.449 -4.112 62 HB2 ARG 8 2HB ARG 8 4.744 23.606 -5.165 63 HB3 ARG 8 3HB ARG 8 3.423 22.717 -5.913 64 HG2 ARG 8 2HG ARG 8 2.571 22.136 -3.639 65 HG3 ARG 8 3HG ARG 8 3.859 23.117 -2.937 66 HD2 ARG 8 2HD ARG 8 1.643 24.116 -4.758 67 HD3 ARG 8 3HD ARG 8 1.750 24.366 -3.014 68 HE ARG 8 HE ARG 8 4.069 25.363 -4.322 69 HH11 ARG 8 1HH1 ARG 8 0.687 26.202 -3.796 70 HH12 ARG 8 2HH1 ARG 8 0.963 27.904 -3.976 71 HH21 ARG 8 1HH2 ARG 8 4.415 27.578 -4.547 72 HH22 ARG 8 2HH2 ARG 8 3.083 28.686 -4.402 73 H SER 9 H SER 9 3.761 20.418 -7.019 74 HA SER 9 HA SER 9 2.104 18.441 -5.782 75 HB2 SER 9 2HB SER 9 3.015 18.717 -8.683 76 HB3 SER 9 3HB SER 9 1.712 17.670 -8.122 77 HG SER 9 HG SER 9 0.433 19.322 -8.192 78 H GLY 10 H GLY 10 3.021 16.777 -4.724 79 HA2 GLY 10 2HA GLY 10 5.267 15.241 -5.952 80 HA3 GLY 10 3HA GLY 10 4.952 15.354 -4.222 81 H ASP 11 H ASP 11 3.874 13.993 -7.240 82 HA ASP 11 HA ASP 11 1.409 12.930 -6.382 83 HB2 ASP 11 2HB ASP 11 3.172 12.260 -8.764 84 HB3 ASP 11 3HB ASP 11 1.578 11.541 -8.524 85 H ILE 12 H ILE 12 0.758 10.832 -6.012 86 HA ILE 12 HA ILE 12 2.466 9.502 -4.108 87 HB ILE 12 HB ILE 12 -0.361 8.803 -5.004 88 HG12 ILE 12 2HG1 ILE 12 0.334 10.488 -2.561 89 HG13 ILE 12 3HG1 ILE 12 -0.049 11.207 -4.121 90 HG21 ILE 12 1HG2 ILE 12 1.095 8.069 -2.444 91 HG22 ILE 12 2HG2 ILE 12 0.750 6.978 -3.784 92 HG23 ILE 12 3HG2 ILE 12 -0.576 7.653 -2.836 93 HD11 ILE 12 3HD1 ILE 12 -2.268 10.210 -4.057 94 HD12 ILE 12 1HD1 ILE 12 -1.967 11.207 -2.635 95 HD13 ILE 12 2HD1 ILE 12 -1.896 9.450 -2.506 96 H GLN 13 H GLN 13 4.016 8.270 -5.072 97 HA GLN 13 HA GLN 13 3.415 6.436 -7.276 98 HB2 GLN 13 2HB GLN 13 5.512 7.750 -7.346 99 HB3 GLN 13 3HB GLN 13 6.015 7.061 -5.808 100 HG2 GLN 13 2HG GLN 13 6.114 4.806 -6.884 101 HG3 GLN 13 3HG GLN 13 5.673 5.554 -8.423 102 HE21 GLN 13 1HE2 GLN 13 7.628 4.906 -9.408 103 HE22 GLN 13 2HE2 GLN 13 9.143 5.639 -9.016 104 H VAL 14 H VAL 14 2.863 4.383 -6.873 105 HA VAL 14 HA VAL 14 3.197 3.237 -4.152 106 HB VAL 14 HB VAL 14 0.963 2.676 -6.182 107 HG11 VAL 14 1HG1 VAL 14 -0.201 1.556 -4.313 108 HG12 VAL 14 2HG1 VAL 14 1.181 1.861 -3.260 109 HG13 VAL 14 3HG1 VAL 14 1.355 0.794 -4.654 110 HG21 VAL 14 3HG2 VAL 14 0.808 5.001 -5.394 111 HG22 VAL 14 1HG2 VAL 14 0.830 4.455 -3.716 112 HG23 VAL 14 2HG2 VAL 14 -0.528 4.038 -4.765 113 H GLN 15 H GLN 15 4.946 1.867 -4.414 114 HA GLN 15 HA GLN 15 5.047 0.072 -6.765 115 HB2 GLN 15 2HB GLN 15 7.017 1.548 -6.460 116 HB3 GLN 15 3HB GLN 15 7.271 0.905 -4.842 117 HG2 GLN 15 2HG GLN 15 7.792 -1.311 -5.763 118 HG3 GLN 15 3HG GLN 15 7.425 -0.742 -7.393 119 HE21 GLN 15 1HE2 GLN 15 8.898 0.677 -8.422 120 HE22 GLN 15 2HE2 GLN 15 10.530 0.848 -7.876 121 H ASN 16 H ASN 16 4.027 -1.775 -6.249 122 HA ASN 16 HA ASN 16 4.410 -3.009 -3.582 123 HB2 ASN 16 2HB ASN 16 2.066 -2.760 -4.239 124 HB3 ASN 16 3HB ASN 16 2.364 -3.497 -5.808 125 HD21 ASN 16 1HD2 ASN 16 2.215 -4.156 -2.342 126 HD22 ASN 16 2HD2 ASN 16 1.872 -5.836 -2.499 127 H ASN 17 H ASN 17 6.120 -4.332 -3.575 128 HA ASN 17 HA ASN 17 7.049 -5.636 -6.051 129 HB2 ASN 17 2HB ASN 17 8.616 -4.056 -4.852 130 HB3 ASN 17 3HB ASN 17 8.576 -5.122 -3.453 131 HD21 ASN 17 1HD2 ASN 17 9.583 -4.838 -6.798 132 HD22 ASN 17 2HD2 ASN 17 10.742 -6.116 -6.761 133 H ASN 18 H ASN 18 6.726 -7.746 -6.220 134 HA ASN 18 HA ASN 18 5.528 -9.190 -3.947 135 HB2 ASN 18 2HB ASN 18 5.436 -9.824 -6.936 136 HB3 ASN 18 3HB ASN 18 4.478 -10.596 -5.674 137 HD21 ASN 18 1HD2 ASN 18 2.637 -9.537 -4.908 138 HD22 ASN 18 2HD2 ASN 18 2.034 -8.072 -5.597 139 H THR 19 H THR 19 6.791 -10.605 -2.934 140 HA THR 19 HA THR 19 9.145 -11.818 -4.191 141 HB THR 19 HB THR 19 8.094 -12.144 -1.323 142 HG1 THR 19 HG1 THR 19 9.511 -10.087 -2.563 143 HG21 THR 19 3HG2 THR 19 10.415 -12.748 -0.772 144 HG22 THR 19 1HG2 THR 19 10.889 -12.545 -2.464 145 HG23 THR 19 2HG2 THR 19 9.784 -13.840 -2.004 146 H CYS 20 H CYS 20 8.778 -13.685 -5.309 147 HA CYS 20 HA CYS 20 6.441 -15.378 -4.651 148 HB2 CYS 20 2HB CYS 20 7.141 -14.458 -7.471 149 HB3 CYS 20 3HB CYS 20 5.695 -15.324 -6.954 150 H ASN 21 H ASN 21 6.827 -17.521 -4.814 151 HA ASN 21 HA ASN 21 9.421 -18.574 -5.383 152 HB2 ASN 21 2HB ASN 21 8.360 -20.788 -5.042 153 HB3 ASN 21 3HB ASN 21 7.905 -19.672 -3.770 154 HD21 ASN 21 1HD2 ASN 21 6.759 -21.452 -6.549 155 HD22 ASN 21 2HD2 ASN 21 5.073 -21.229 -6.239 156 H GLY 22 H GLY 22 6.433 -18.202 -7.190 157 HA2 GLY 22 2HA GLY 22 7.547 -19.383 -9.646 158 HA3 GLY 22 3HA GLY 22 5.905 -18.811 -9.393 159 H LYS 23 H LYS 23 5.700 -17.361 -11.039 160 HA LYS 23 HA LYS 23 7.761 -15.635 -11.974 161 HB2 LYS 23 2HB LYS 23 5.963 -16.456 -13.431 162 HB3 LYS 23 3HB LYS 23 4.754 -15.599 -12.480 163 HG2 LYS 23 2HG LYS 23 5.774 -13.429 -13.176 164 HG3 LYS 23 3HG LYS 23 6.953 -14.314 -14.155 165 HD2 LYS 23 2HD LYS 23 5.131 -13.495 -15.584 166 HD3 LYS 23 3HD LYS 23 5.084 -15.256 -15.522 167 HE2 LYS 23 2HE LYS 23 3.260 -15.119 -13.823 168 HE3 LYS 23 3HE LYS 23 3.288 -13.359 -13.961 169 HZ1 LYS 23 3HZ LYS 23 2.769 -13.642 -16.349 170 HZ2 LYS 23 1HZ LYS 23 1.549 -14.204 -15.321 171 HZ3 LYS 23 2HZ LYS 23 2.577 -15.304 -16.093 172 H THR 24 H THR 24 8.380 -13.702 -11.215 173 HA THR 24 HA THR 24 6.896 -12.329 -9.076 174 HB THR 24 HB THR 24 9.052 -11.138 -8.656 175 HG1 THR 24 HG1 THR 24 10.075 -12.756 -10.784 176 HG21 THR 24 3HG2 THR 24 9.427 -14.154 -8.887 177 HG22 THR 24 1HG2 THR 24 8.768 -13.291 -7.495 178 HG23 THR 24 2HG2 THR 24 10.455 -13.062 -7.955 179 H PHE 25 H PHE 25 6.464 -10.110 -9.172 180 HA PHE 25 HA PHE 25 7.404 -8.426 -11.356 181 HB2 PHE 25 2HB PHE 25 4.432 -8.898 -10.837 182 HB3 PHE 25 3HB PHE 25 4.997 -7.386 -11.533 183 HD1 PHE 25 HD2 PHE 25 6.741 -7.786 -13.608 184 HD2 PHE 25 HD1 PHE 25 3.634 -10.478 -12.400 185 HE1 PHE 25 HE2 PHE 25 6.698 -8.756 -15.874 186 HE2 PHE 25 HE1 PHE 25 3.607 -11.437 -14.667 187 HZ PHE 25 HZ PHE 25 5.128 -10.579 -16.404 188 H ASP 26 H ASP 26 6.869 -6.082 -10.878 189 HA ASP 26 HA ASP 26 6.010 -5.572 -8.095 190 HB2 ASP 26 2HB ASP 26 7.381 -3.576 -7.980 191 HB3 ASP 26 3HB ASP 26 8.424 -4.906 -8.435 192 H TYR 27 H TYR 27 3.975 -4.932 -8.193 193 HA TYR 27 HA TYR 27 2.813 -3.621 -10.508 194 HB2 TYR 27 2HB TYR 27 1.610 -4.178 -7.757 195 HB3 TYR 27 3HB TYR 27 0.723 -3.623 -9.170 196 HD1 TYR 27 HD1 TYR 27 0.785 -5.199 -11.288 197 HD2 TYR 27 HD2 TYR 27 1.741 -6.513 -7.334 198 HE1 TYR 27 HE1 TYR 27 0.317 -7.523 -11.945 199 HE2 TYR 27 HE2 TYR 27 1.275 -8.836 -7.993 200 HH TYR 27 HH TYR 27 0.914 -9.807 -11.225 201 H THR 28 H THR 28 4.135 -1.714 -10.599 202 HA THR 28 HA THR 28 3.746 0.281 -8.490 203 HB THR 28 HB THR 28 5.400 0.548 -11.036 204 HG1 THR 28 HG1 THR 28 6.214 -1.054 -9.576 205 HG21 THR 28 3HG2 THR 28 4.729 2.746 -10.063 206 HG22 THR 28 1HG2 THR 28 6.464 2.461 -9.886 207 HG23 THR 28 2HG2 THR 28 5.388 2.248 -8.505 208 H TYR 29 H TYR 29 2.171 1.701 -8.578 209 HA TYR 29 HA TYR 29 0.909 2.501 -11.135 210 HB2 TYR 29 2HB TYR 29 -0.391 2.457 -8.366 211 HB3 TYR 29 3HB TYR 29 -1.181 2.817 -9.900 212 HD1 TYR 29 HD1 TYR 29 -1.756 0.959 -11.486 213 HD2 TYR 29 HD2 TYR 29 0.071 0.148 -7.703 214 HE1 TYR 29 HE1 TYR 29 -2.368 -1.421 -11.690 215 HE2 TYR 29 HE2 TYR 29 -0.543 -2.220 -7.911 216 HH TYR 29 HH TYR 29 -2.156 -3.614 -9.071 217 H THR 30 H THR 30 0.056 4.732 -11.066 218 HA THR 30 HA THR 30 1.392 6.546 -9.143 219 HB THR 30 HB THR 30 0.957 7.105 -12.114 220 HG1 THR 30 HG1 THR 30 2.676 5.555 -11.460 221 HG21 THR 30 3HG2 THR 30 0.880 9.159 -10.691 222 HG22 THR 30 1HG2 THR 30 2.302 9.137 -11.732 223 HG23 THR 30 2HG2 THR 30 2.459 8.741 -10.020 224 H VAL 31 H VAL 31 -0.314 7.011 -7.875 225 HA VAL 31 HA VAL 31 -2.769 8.109 -9.114 226 HB VAL 31 HB VAL 31 -3.886 7.788 -6.912 227 HG11 VAL 31 1HG1 VAL 31 -2.700 5.207 -8.013 228 HG12 VAL 31 2HG1 VAL 31 -4.133 6.037 -8.617 229 HG13 VAL 31 3HG1 VAL 31 -4.146 5.331 -7.003 230 HG21 VAL 31 3HG2 VAL 31 -1.966 7.894 -5.398 231 HG22 VAL 31 1HG2 VAL 31 -1.331 6.380 -6.039 232 HG23 VAL 31 2HG2 VAL 31 -2.848 6.392 -5.137 233 H THR 32 H THR 32 -3.605 10.041 -8.156 234 HA THR 32 HA THR 32 -1.556 11.803 -6.913 235 HB THR 32 HB THR 32 -2.163 12.438 -9.260 236 HG1 THR 32 HG1 THR 32 -1.645 14.289 -8.449 237 HG21 THR 32 3HG2 THR 32 -4.940 12.972 -8.150 238 HG22 THR 32 1HG2 THR 32 -4.528 11.714 -9.315 239 HG23 THR 32 2HG2 THR 32 -4.375 13.415 -9.760 240 H THR 33 H THR 33 -4.387 10.130 -6.340 241 HA THR 33 HA THR 33 -5.228 11.836 -4.098 242 HB THR 33 HB THR 33 -7.156 10.772 -6.239 243 HG1 THR 33 HG1 THR 33 -5.899 13.270 -5.886 244 HG21 THR 33 3HG2 THR 33 -8.848 12.152 -5.123 245 HG22 THR 33 1HG2 THR 33 -7.680 12.624 -3.884 246 HG23 THR 33 2HG2 THR 33 -8.211 10.945 -4.011 247 H GLU 34 H GLU 34 -6.414 10.646 -2.469 248 HA GLU 34 HA GLU 34 -5.438 8.004 -1.987 249 HB2 GLU 34 2HB GLU 34 -7.497 9.626 -0.422 250 HB3 GLU 34 3HB GLU 34 -6.789 8.111 0.125 251 HG2 GLU 34 2HG GLU 34 -5.736 9.935 1.272 252 HG3 GLU 34 3HG GLU 34 -4.557 9.195 0.186 253 H SER 35 H SER 35 -8.551 9.287 -3.041 254 HA SER 35 HA SER 35 -10.184 7.044 -2.633 255 HB2 SER 35 2HB SER 35 -11.654 8.047 -4.408 256 HB3 SER 35 3HB SER 35 -11.144 9.227 -3.202 257 HG SER 35 HG SER 35 -10.447 8.998 -5.894 258 H GLU 36 H GLU 36 -8.303 8.035 -5.467 259 HA GLU 36 HA GLU 36 -8.861 5.869 -7.175 260 HB2 GLU 36 2HB GLU 36 -6.311 7.538 -7.155 261 HB3 GLU 36 3HB GLU 36 -7.012 6.688 -8.522 262 HG2 GLU 36 2HG GLU 36 -8.143 9.123 -7.140 263 HG3 GLU 36 3HG GLU 36 -7.409 9.067 -8.739 264 H LEU 37 H LEU 37 -6.317 6.451 -4.808 265 HA LEU 37 HA LEU 37 -4.633 4.269 -5.170 266 HB2 LEU 37 2HB LEU 37 -4.009 6.110 -3.754 267 HB3 LEU 37 3HB LEU 37 -5.389 5.849 -2.703 268 HG LEU 37 HG LEU 37 -3.958 3.396 -2.574 269 HD11 LEU 37 1HD1 LEU 37 -1.694 3.941 -1.965 270 HD12 LEU 37 2HD1 LEU 37 -1.949 5.634 -2.385 271 HD13 LEU 37 3HD1 LEU 37 -2.017 4.389 -3.637 272 HD21 LEU 37 3HD2 LEU 37 -5.153 4.389 -0.703 273 HD22 LEU 37 1HD2 LEU 37 -3.949 5.674 -0.577 274 HD23 LEU 37 2HD2 LEU 37 -3.499 4.000 -0.239 275 H GLN 38 H GLN 38 -7.531 4.558 -3.097 276 HA GLN 38 HA GLN 38 -7.243 2.021 -1.820 277 HB2 GLN 38 2HB GLN 38 -9.630 3.895 -2.052 278 HB3 GLN 38 3HB GLN 38 -9.599 2.466 -1.023 279 HG2 GLN 38 2HG GLN 38 -7.842 3.399 0.355 280 HG3 GLN 38 3HG GLN 38 -7.623 4.751 -0.752 281 HE21 GLN 38 1HE2 GLN 38 -9.682 3.384 1.723 282 HE22 GLN 38 2HE2 GLN 38 -10.616 4.813 1.999 283 H LYS 39 H LYS 39 -8.951 3.093 -4.733 284 HA LYS 39 HA LYS 39 -10.317 0.617 -5.218 285 HB2 LYS 39 2HB LYS 39 -9.748 3.070 -6.884 286 HB3 LYS 39 3HB LYS 39 -10.245 1.600 -7.707 287 HG2 LYS 39 2HG LYS 39 -12.243 2.772 -7.462 288 HG3 LYS 39 3HG LYS 39 -12.307 1.621 -6.141 289 HD2 LYS 39 2HD LYS 39 -11.359 4.472 -5.717 290 HD3 LYS 39 3HD LYS 39 -13.072 4.067 -5.716 291 HE2 LYS 39 2HE LYS 39 -11.024 2.858 -3.827 292 HE3 LYS 39 3HE LYS 39 -12.068 4.214 -3.435 293 HZ1 LYS 39 3HZ LYS 39 -12.963 2.162 -2.580 294 HZ2 LYS 39 1HZ LYS 39 -12.975 1.481 -4.129 295 HZ3 LYS 39 2HZ LYS 39 -13.986 2.784 -3.776 296 H VAL 40 H VAL 40 -7.166 1.957 -6.173 297 HA VAL 40 HA VAL 40 -6.200 -0.189 -7.724 298 HB VAL 40 HB VAL 40 -4.715 1.846 -5.993 299 HG11 VAL 40 1HG1 VAL 40 -3.290 -0.138 -6.133 300 HG12 VAL 40 2HG1 VAL 40 -2.619 1.162 -7.116 301 HG13 VAL 40 3HG1 VAL 40 -3.472 -0.176 -7.889 302 HG21 VAL 40 3HG2 VAL 40 -5.040 1.642 -9.008 303 HG22 VAL 40 1HG2 VAL 40 -4.093 2.870 -8.162 304 HG23 VAL 40 2HG2 VAL 40 -5.843 2.803 -7.953 305 H LEU 41 H LEU 41 -6.263 0.344 -4.206 306 HA LEU 41 HA LEU 41 -4.727 -1.943 -3.481 307 HB2 LEU 41 2HB LEU 41 -6.307 0.138 -2.045 308 HB3 LEU 41 3HB LEU 41 -6.256 -1.405 -1.224 309 HG LEU 41 HG LEU 41 -4.494 -0.011 -0.338 310 HD11 LEU 41 1HD1 LEU 41 -3.957 -2.384 -0.500 311 HD12 LEU 41 2HD1 LEU 41 -2.508 -1.408 -0.689 312 HD13 LEU 41 3HD1 LEU 41 -3.258 -2.147 -2.104 313 HD21 LEU 41 3HD2 LEU 41 -2.659 0.921 -1.656 314 HD22 LEU 41 1HD2 LEU 41 -4.209 1.555 -2.206 315 HD23 LEU 41 2HD2 LEU 41 -3.384 0.308 -3.145 316 H ASN 42 H ASN 42 -8.157 -1.463 -4.076 317 HA ASN 42 HA ASN 42 -9.163 -3.887 -2.994 318 HB2 ASN 42 2HB ASN 42 -10.281 -2.138 -5.232 319 HB3 ASN 42 3HB ASN 42 -11.162 -3.473 -4.492 320 HD21 ASN 42 1HD2 ASN 42 -11.903 -0.681 -4.599 321 HD22 ASN 42 2HD2 ASN 42 -12.055 -0.154 -2.957 322 H GLU 43 H GLU 43 -8.182 -2.993 -6.311 323 HA GLU 43 HA GLU 43 -8.627 -5.612 -7.420 324 HB2 GLU 43 2HB GLU 43 -7.517 -4.731 -9.455 325 HB3 GLU 43 3HB GLU 43 -8.761 -3.638 -8.868 326 HG2 GLU 43 2HG GLU 43 -7.025 -2.194 -7.859 327 HG3 GLU 43 3HG GLU 43 -5.779 -3.297 -8.441 328 H LEU 44 H LEU 44 -5.819 -3.899 -6.117 329 HA LEU 44 HA LEU 44 -3.739 -5.549 -7.085 330 HB2 LEU 44 2HB LEU 44 -3.436 -3.238 -6.230 331 HB3 LEU 44 3HB LEU 44 -3.826 -3.779 -4.608 332 HG LEU 44 HG LEU 44 -1.757 -5.122 -4.542 333 HD11 LEU 44 1HD1 LEU 44 -1.211 -4.062 -7.327 334 HD12 LEU 44 2HD1 LEU 44 -1.560 -5.736 -6.882 335 HD13 LEU 44 3HD1 LEU 44 -0.078 -4.970 -6.323 336 HD21 LEU 44 3HD2 LEU 44 -1.249 -2.238 -5.363 337 HD22 LEU 44 1HD2 LEU 44 -0.143 -3.267 -4.447 338 HD23 LEU 44 2HD2 LEU 44 -1.687 -2.794 -3.746 339 H LYS 45 H LYS 45 -5.598 -5.565 -4.108 340 HA LYS 45 HA LYS 45 -4.535 -7.567 -2.559 341 HB2 LYS 45 2HB LYS 45 -6.446 -6.139 -1.945 342 HB3 LYS 45 3HB LYS 45 -7.455 -6.918 -3.153 343 HG2 LYS 45 2HG LYS 45 -7.363 -9.030 -1.865 344 HG3 LYS 45 3HG LYS 45 -6.332 -8.246 -0.663 345 HD2 LYS 45 2HD LYS 45 -8.699 -8.340 0.087 346 HD3 LYS 45 3HD LYS 45 -8.133 -6.678 -0.083 347 HE2 LYS 45 2HE LYS 45 -9.284 -6.501 -2.259 348 HE3 LYS 45 3HE LYS 45 -9.830 -8.174 -2.119 349 HZ1 LYS 45 3HZ LYS 45 -10.556 -5.966 -0.260 350 HZ2 LYS 45 1HZ LYS 45 -11.086 -7.570 -0.152 351 HZ3 LYS 45 2HZ LYS 45 -11.557 -6.611 -1.460 352 H ASP 46 H ASP 46 -6.704 -7.888 -5.325 353 HA ASP 46 HA ASP 46 -7.159 -10.684 -5.249 354 HB2 ASP 46 2HB ASP 46 -8.625 -9.015 -6.421 355 HB3 ASP 46 3HB ASP 46 -7.356 -8.759 -7.615 356 H TYR 47 H TYR 47 -4.857 -8.652 -7.084 357 HA TYR 47 HA TYR 47 -3.726 -10.681 -8.698 358 HB2 TYR 47 2HB TYR 47 -2.643 -7.965 -7.850 359 HB3 TYR 47 3HB TYR 47 -1.755 -9.029 -8.939 360 HD1 TYR 47 HD1 TYR 47 -2.547 -9.415 -11.257 361 HD2 TYR 47 HD2 TYR 47 -4.695 -6.847 -8.607 362 HE1 TYR 47 HE1 TYR 47 -3.853 -8.535 -13.153 363 HE2 TYR 47 HE2 TYR 47 -5.991 -5.972 -10.492 364 HH TYR 47 HH TYR 47 -5.931 -5.786 -12.864 365 H ILE 48 H ILE 48 -2.464 -9.190 -5.715 366 HA ILE 48 HA ILE 48 -0.057 -10.582 -5.437 367 HB ILE 48 HB ILE 48 -1.877 -9.463 -3.251 368 HG12 ILE 48 2HG1 ILE 48 0.537 -8.105 -4.537 369 HG13 ILE 48 3HG1 ILE 48 -1.129 -7.789 -5.008 370 HG21 ILE 48 1HG2 ILE 48 1.074 -10.177 -3.086 371 HG22 ILE 48 2HG2 ILE 48 -0.249 -11.006 -2.265 372 HG23 ILE 48 3HG2 ILE 48 0.157 -9.349 -1.825 373 HD11 ILE 48 3HD1 ILE 48 -0.288 -6.073 -3.519 374 HD12 ILE 48 1HD1 ILE 48 0.045 -7.278 -2.274 375 HD13 ILE 48 2HD1 ILE 48 -1.619 -6.954 -2.768 376 H LYS 49 H LYS 49 -3.303 -11.339 -4.191 377 HA LYS 49 HA LYS 49 -2.577 -13.585 -2.596 378 HB2 LYS 49 2HB LYS 49 -4.652 -12.157 -2.340 379 HB3 LYS 49 3HB LYS 49 -5.319 -12.941 -3.765 380 HG2 LYS 49 2HG LYS 49 -5.232 -15.121 -2.597 381 HG3 LYS 49 3HG LYS 49 -4.555 -14.323 -1.174 382 HD2 LYS 49 2HD LYS 49 -6.670 -12.911 -1.074 383 HD3 LYS 49 3HD LYS 49 -7.336 -13.940 -2.348 384 HE2 LYS 49 2HE LYS 49 -7.029 -15.916 -0.879 385 HE3 LYS 49 3HE LYS 49 -6.410 -14.850 0.386 386 HZ1 LYS 49 3HZ LYS 49 -8.600 -13.694 0.316 387 HZ2 LYS 49 1HZ LYS 49 -8.677 -15.301 0.842 388 HZ3 LYS 49 2HZ LYS 49 -9.161 -14.901 -0.726 389 H LYS 50 H LYS 50 -3.757 -13.196 -5.891 390 HA LYS 50 HA LYS 50 -4.324 -15.934 -6.450 391 HB2 LYS 50 2HB LYS 50 -5.366 -14.031 -7.630 392 HB3 LYS 50 3HB LYS 50 -3.807 -13.583 -8.316 393 HG2 LYS 50 2HG LYS 50 -3.748 -15.690 -9.600 394 HG3 LYS 50 3HG LYS 50 -5.290 -16.185 -8.891 395 HD2 LYS 50 2HD LYS 50 -4.833 -13.761 -10.674 396 HD3 LYS 50 3HD LYS 50 -5.632 -15.260 -11.148 397 HE2 LYS 50 2HE LYS 50 -7.446 -14.839 -9.570 398 HE3 LYS 50 3HE LYS 50 -6.625 -13.394 -8.969 399 HZ1 LYS 50 3HZ LYS 50 -8.313 -12.739 -10.474 400 HZ2 LYS 50 1HZ LYS 50 -7.782 -13.810 -11.668 401 HZ3 LYS 50 2HZ LYS 50 -6.838 -12.476 -11.242 402 H GLN 51 H GLN 51 -1.578 -13.792 -7.147 403 HA GLN 51 HA GLN 51 -0.023 -15.581 -8.697 404 HB2 GLN 51 2HB GLN 51 0.819 -13.195 -6.986 405 HB3 GLN 51 3HB GLN 51 1.901 -14.046 -8.078 406 HG2 GLN 51 2HG GLN 51 -0.578 -12.509 -8.882 407 HG3 GLN 51 3HG GLN 51 1.087 -11.969 -9.072 408 HE21 GLN 51 1HE2 GLN 51 2.133 -14.543 -10.002 409 HE22 GLN 51 2HE2 GLN 51 1.498 -14.786 -11.587 410 H GLY 52 H GLY 52 1.692 -16.923 -8.129 411 HA2 GLY 52 2HA GLY 52 1.659 -18.251 -5.586 412 HA3 GLY 52 3HA GLY 52 2.764 -18.550 -6.919 413 H CYS 53 H CYS 53 2.048 -16.178 -4.406 414 HA CYS 53 HA CYS 53 4.894 -15.451 -4.164 415 HB2 CYS 53 2HB CYS 53 2.502 -13.568 -3.951 416 HB3 CYS 53 3HB CYS 53 4.202 -13.117 -3.774 417 H LYS 54 H LYS 54 5.659 -15.462 -2.169 418 HA LYS 54 HA LYS 54 4.231 -16.541 0.033 419 HB2 LYS 54 2HB LYS 54 6.934 -15.122 -0.097 420 HB3 LYS 54 3HB LYS 54 6.344 -16.030 1.296 421 HG2 LYS 54 2HG LYS 54 6.305 -18.100 -0.036 422 HG3 LYS 54 3HG LYS 54 6.832 -17.213 -1.463 423 HD2 LYS 54 2HD LYS 54 8.448 -17.601 1.085 424 HD3 LYS 54 3HD LYS 54 8.703 -18.448 -0.441 425 HE2 LYS 54 2HE LYS 54 9.160 -16.209 -1.518 426 HE3 LYS 54 3HE LYS 54 9.094 -15.486 0.090 427 HZ1 LYS 54 3HZ LYS 54 11.367 -15.956 -0.556 428 HZ2 LYS 54 1HZ LYS 54 10.999 -17.590 -0.795 429 HZ3 LYS 54 2HZ LYS 54 10.941 -16.928 0.759 430 H ARG 55 H ARG 55 5.544 -13.269 -0.613 431 HA ARG 55 HA ARG 55 3.202 -12.019 0.508 432 HB2 ARG 55 2HB ARG 55 4.087 -10.887 2.348 433 HB3 ARG 55 3HB ARG 55 4.836 -12.463 2.503 434 HG2 ARG 55 2HG ARG 55 6.182 -9.997 1.368 435 HG3 ARG 55 3HG ARG 55 6.353 -10.576 3.017 436 HD2 ARG 55 2HD ARG 55 7.419 -12.650 2.167 437 HD3 ARG 55 3HD ARG 55 7.270 -12.028 0.517 438 HE ARG 55 HE ARG 55 8.695 -10.133 1.226 439 HH11 ARG 55 1HH1 ARG 55 8.910 -13.108 3.086 440 HH12 ARG 55 2HH1 ARG 55 10.508 -12.769 3.656 441 HH21 ARG 55 1HH2 ARG 55 10.737 -9.672 2.028 442 HH22 ARG 55 2HH2 ARG 55 11.551 -10.810 3.059 443 H SER 56 H SER 56 3.318 -9.608 0.291 444 HA SER 56 HA SER 56 5.181 -8.672 -1.816 445 HB2 SER 56 2HB SER 56 3.378 -7.228 -2.677 446 HB3 SER 56 3HB SER 56 2.881 -8.920 -2.720 447 HG SER 56 HG SER 56 1.706 -8.556 -0.798 448 H ARG 57 H ARG 57 5.654 -6.378 -1.689 449 HA ARG 57 HA ARG 57 5.364 -5.154 0.991 450 HB2 ARG 57 2HB ARG 57 7.614 -6.145 0.713 451 HB3 ARG 57 3HB ARG 57 7.839 -5.266 -0.794 452 HG2 ARG 57 2HG ARG 57 7.776 -3.123 0.468 453 HG3 ARG 57 3HG ARG 57 7.593 -4.031 1.970 454 HD2 ARG 57 2HD ARG 57 9.975 -4.184 0.086 455 HD3 ARG 57 3HD ARG 57 9.928 -3.335 1.635 456 HE ARG 57 HE ARG 57 9.221 -5.928 2.207 457 HH11 ARG 57 1HH1 ARG 57 12.097 -4.437 0.816 458 HH12 ARG 57 2HH1 ARG 57 13.156 -5.677 1.405 459 HH21 ARG 57 1HH2 ARG 57 10.597 -7.523 2.965 460 HH22 ARG 57 2HH2 ARG 57 12.304 -7.438 2.632 461 H THR 58 H THR 58 4.023 -3.399 0.600 462 HA THR 58 HA THR 58 4.202 -1.919 -1.922 463 HB THR 58 HB THR 58 2.275 -1.427 0.402 464 HG1 THR 58 HG1 THR 58 1.604 -3.338 -0.300 465 HG21 THR 58 3HG2 THR 58 2.133 -0.563 -2.512 466 HG22 THR 58 1HG2 THR 58 2.477 0.497 -1.144 467 HG23 THR 58 2HG2 THR 58 0.897 -0.275 -1.287 468 H SER 59 H SER 59 5.056 0.062 -2.080 469 HA SER 59 HA SER 59 5.966 1.543 0.319 470 HB2 SER 59 2HB SER 59 7.453 1.246 -2.339 471 HB3 SER 59 3HB SER 59 8.005 2.153 -0.923 472 HG SER 59 HG SER 59 7.429 -0.626 -0.845 473 H ILE 60 H ILE 60 5.018 3.504 0.363 474 HA ILE 60 HA ILE 60 3.856 4.674 -2.108 475 HB ILE 60 HB ILE 60 2.717 4.515 0.716 476 HG12 ILE 60 2HG1 ILE 60 1.636 3.520 -1.959 477 HG13 ILE 60 3HG1 ILE 60 2.301 2.521 -0.674 478 HG21 ILE 60 1HG2 ILE 60 1.606 6.158 -1.578 479 HG22 ILE 60 2HG2 ILE 60 2.356 6.799 -0.115 480 HG23 ILE 60 3HG2 ILE 60 0.840 5.914 -0.009 481 HD11 ILE 60 3HD1 ILE 60 -0.097 2.385 -0.701 482 HD12 ILE 60 1HD1 ILE 60 -0.240 4.134 -0.536 483 HD13 ILE 60 2HD1 ILE 60 0.437 3.174 0.781 484 H THR 61 H THR 61 4.349 6.779 -2.485 485 HA THR 61 HA THR 61 6.381 8.151 -1.139 486 HB THR 61 HB THR 61 4.232 9.300 -2.981 487 HG1 THR 61 HG1 THR 61 6.439 8.979 -4.318 488 HG21 THR 61 3HG2 THR 61 7.000 10.341 -2.274 489 HG22 THR 61 1HG2 THR 61 5.465 11.096 -1.839 490 HG23 THR 61 2HG2 THR 61 5.959 11.013 -3.532 491 H ALA 62 H ALA 62 6.364 9.285 0.686 492 HA ALA 62 HA ALA 62 3.885 10.403 1.860 493 HB1 ALA 62 3HB ALA 62 6.015 8.795 3.326 494 HB2 ALA 62 1HB ALA 62 4.369 8.259 2.974 495 HB3 ALA 62 2HB ALA 62 4.641 9.606 4.080 496 H ARG 63 H ARG 63 4.352 12.486 1.480 497 HA ARG 63 HA ARG 63 6.998 13.667 1.876 498 HB2 ARG 63 2HB ARG 63 4.341 14.935 1.086 499 HB3 ARG 63 3HB ARG 63 5.928 15.700 0.960 500 HG2 ARG 63 2HG ARG 63 6.601 14.281 -0.827 501 HG3 ARG 63 3HG ARG 63 5.306 13.124 -0.509 502 HD2 ARG 63 2HD ARG 63 4.896 15.947 -1.533 503 HD3 ARG 63 3HD ARG 63 4.887 14.485 -2.524 504 HE ARG 63 HE ARG 63 2.977 13.919 -0.686 505 HH11 ARG 63 1HH1 ARG 63 3.449 16.750 -2.737 506 HH12 ARG 63 2HH1 ARG 63 1.754 17.108 -2.840 507 HH21 ARG 63 1HH2 ARG 63 0.757 14.397 -0.842 508 HH22 ARG 63 2HH2 ARG 63 0.229 15.777 -1.769 509 H THR 64 H THR 64 3.726 13.879 3.215 510 HA THR 64 HA THR 64 4.748 15.100 5.716 511 HB THR 64 HB THR 64 2.288 15.385 6.281 512 HG1 THR 64 HG1 THR 64 1.880 14.677 3.536 513 HG21 THR 64 3HG2 THR 64 3.571 17.279 5.358 514 HG22 THR 64 1HG2 THR 64 1.899 17.312 4.799 515 HG23 THR 64 2HG2 THR 64 3.178 16.763 3.719 516 H LYS 65 H LYS 65 4.161 14.130 7.730 517 HA LYS 65 HA LYS 65 4.293 11.314 7.875 518 HB2 LYS 65 2HB LYS 65 3.926 11.564 10.296 519 HB3 LYS 65 3HB LYS 65 5.119 12.711 9.709 520 HG2 LYS 65 2HG LYS 65 3.581 14.548 9.875 521 HG3 LYS 65 3HG LYS 65 2.218 13.474 10.184 522 HD2 LYS 65 2HD LYS 65 4.605 13.836 12.055 523 HD3 LYS 65 3HD LYS 65 3.031 14.609 12.256 524 HE2 LYS 65 2HE LYS 65 1.967 12.392 12.486 525 HE3 LYS 65 3HE LYS 65 3.535 11.614 12.262 526 HZ1 LYS 65 3HZ LYS 65 4.305 12.673 14.293 527 HZ2 LYS 65 1HZ LYS 65 2.930 11.736 14.590 528 HZ3 LYS 65 2HZ LYS 65 2.805 13.420 14.506 529 H LYS 66 H LYS 66 1.594 13.532 7.665 530 HA LYS 66 HA LYS 66 -0.451 11.840 8.635 531 HB2 LYS 66 2HB LYS 66 -0.573 14.211 6.722 532 HB3 LYS 66 3HB LYS 66 -2.009 13.365 7.298 533 HG2 LYS 66 2HG LYS 66 0.016 14.802 9.033 534 HG3 LYS 66 3HG LYS 66 -1.607 15.372 8.642 535 HD2 LYS 66 2HD LYS 66 -2.643 13.667 9.957 536 HD3 LYS 66 3HD LYS 66 -1.162 12.715 10.040 537 HE2 LYS 66 2HE LYS 66 -0.167 14.636 11.410 538 HE3 LYS 66 3HE LYS 66 -1.811 15.277 11.528 539 HZ1 LYS 66 3HZ LYS 66 -2.522 13.219 12.559 540 HZ2 LYS 66 1HZ LYS 66 -1.215 13.852 13.427 541 HZ3 LYS 66 2HZ LYS 66 -0.980 12.548 12.377 542 H GLU 67 H GLU 67 0.904 12.262 5.370 543 HA GLU 67 HA GLU 67 -0.775 10.386 4.037 544 HB2 GLU 67 2HB GLU 67 2.094 11.209 3.403 545 HB3 GLU 67 3HB GLU 67 1.050 10.273 2.330 546 HG2 GLU 67 2HG GLU 67 -0.530 12.153 2.207 547 HG3 GLU 67 3HG GLU 67 0.503 13.093 3.282 548 H ALA 68 H ALA 68 2.399 10.084 5.620 549 HA ALA 68 HA ALA 68 2.885 7.363 5.177 550 HB1 ALA 68 3HB ALA 68 4.571 8.949 6.024 551 HB2 ALA 68 1HB ALA 68 4.482 7.507 7.034 552 HB3 ALA 68 2HB ALA 68 3.745 9.016 7.579 553 H GLU 69 H GLU 69 0.920 8.915 7.679 554 HA GLU 69 HA GLU 69 0.471 6.588 9.311 555 HB2 GLU 69 2HB GLU 69 -0.920 9.303 9.165 556 HB3 GLU 69 3HB GLU 69 -1.363 8.068 10.334 557 HG2 GLU 69 2HG GLU 69 0.796 8.199 11.417 558 HG3 GLU 69 3HG GLU 69 1.416 9.254 10.150 559 H LYS 70 H LYS 70 -1.659 8.454 7.091 560 HA LYS 70 HA LYS 70 -3.893 6.756 7.559 561 HB2 LYS 70 2HB LYS 70 -5.112 8.113 5.952 562 HB3 LYS 70 3HB LYS 70 -4.165 9.142 7.013 563 HG2 LYS 70 2HG LYS 70 -2.473 9.412 5.205 564 HG3 LYS 70 3HG LYS 70 -3.484 8.432 4.145 565 HD2 LYS 70 2HD LYS 70 -5.289 10.116 4.278 566 HD3 LYS 70 3HD LYS 70 -4.318 11.089 5.385 567 HE2 LYS 70 2HE LYS 70 -2.706 11.582 3.662 568 HE3 LYS 70 3HE LYS 70 -3.421 10.386 2.581 569 HZ1 LYS 70 3HZ LYS 70 -4.057 12.579 1.913 570 HZ2 LYS 70 1HZ LYS 70 -4.674 12.922 3.448 571 HZ3 LYS 70 2HZ LYS 70 -5.425 11.760 2.481 572 H PHE 71 H PHE 71 -1.556 6.928 4.867 573 HA PHE 71 HA PHE 71 -2.821 4.948 3.241 574 HB2 PHE 71 2HB PHE 71 0.038 5.977 3.282 575 HB3 PHE 71 3HB PHE 71 -0.493 4.728 2.163 576 HD1 PHE 71 HD2 PHE 71 -1.351 8.202 3.208 577 HD2 PHE 71 HD1 PHE 71 -1.340 5.395 0.059 578 HE1 PHE 71 HE2 PHE 71 -1.971 9.980 1.642 579 HE2 PHE 71 HE1 PHE 71 -1.997 7.171 -1.513 580 HZ PHE 71 HZ PHE 71 -2.314 9.468 -0.717 581 H ALA 72 H ALA 72 -0.487 4.772 5.895 582 HA ALA 72 HA ALA 72 0.301 2.083 5.725 583 HB1 ALA 72 3HB ALA 72 -0.129 3.711 8.256 584 HB2 ALA 72 1HB ALA 72 1.344 3.679 7.286 585 HB3 ALA 72 2HB ALA 72 0.815 2.223 8.125 586 H ALA 73 H ALA 73 -2.500 3.574 7.335 587 HA ALA 73 HA ALA 73 -3.698 1.266 8.421 588 HB1 ALA 73 3HB ALA 73 -5.771 2.612 8.512 589 HB2 ALA 73 1HB ALA 73 -5.027 3.826 7.465 590 HB3 ALA 73 2HB ALA 73 -4.375 3.525 9.076 591 H ILE 74 H ILE 74 -4.218 2.912 5.309 592 HA ILE 74 HA ILE 74 -6.229 1.318 4.177 593 HB ILE 74 HB ILE 74 -4.026 2.979 2.844 594 HG12 ILE 74 2HG1 ILE 74 -6.978 3.661 3.283 595 HG13 ILE 74 3HG1 ILE 74 -5.686 4.171 4.359 596 HG21 ILE 74 1HG2 ILE 74 -4.848 1.342 1.200 597 HG22 ILE 74 2HG2 ILE 74 -5.439 2.950 0.784 598 HG23 ILE 74 3HG2 ILE 74 -6.520 1.788 1.551 599 HD11 ILE 74 3HD1 ILE 74 -5.982 4.969 1.464 600 HD12 ILE 74 1HD1 ILE 74 -4.682 5.474 2.551 601 HD13 ILE 74 2HD1 ILE 74 -6.345 5.960 2.876 602 H LEU 75 H LEU 75 -2.723 0.876 4.221 603 HA LEU 75 HA LEU 75 -2.671 -1.367 2.435 604 HB2 LEU 75 2HB LEU 75 -0.582 -0.295 4.363 605 HB3 LEU 75 3HB LEU 75 -0.288 -1.593 3.219 606 HG LEU 75 HG LEU 75 -0.982 1.281 2.492 607 HD11 LEU 75 1HD1 LEU 75 1.655 -0.195 2.192 608 HD12 LEU 75 2HD1 LEU 75 1.302 1.086 3.351 609 HD13 LEU 75 3HD1 LEU 75 1.313 1.446 1.628 610 HD21 LEU 75 3HD2 LEU 75 -0.395 -1.066 0.667 611 HD22 LEU 75 1HD2 LEU 75 -0.548 0.616 0.156 612 HD23 LEU 75 2HD2 LEU 75 -1.934 -0.220 0.845 613 H ILE 76 H ILE 76 -2.521 -1.034 6.023 614 HA ILE 76 HA ILE 76 -2.103 -3.736 6.670 615 HB ILE 76 HB ILE 76 -3.022 -1.325 8.202 616 HG12 ILE 76 2HG1 ILE 76 -1.296 -2.102 9.843 617 HG13 ILE 76 3HG1 ILE 76 -1.047 -3.552 8.881 618 HG21 ILE 76 1HG2 ILE 76 -3.643 -2.559 10.263 619 HG22 ILE 76 2HG2 ILE 76 -3.615 -4.073 9.360 620 HG23 ILE 76 3HG2 ILE 76 -4.799 -2.829 8.956 621 HD11 ILE 76 3HD1 ILE 76 0.714 -1.989 8.487 622 HD12 ILE 76 1HD1 ILE 76 -0.438 -0.718 8.079 623 HD13 ILE 76 2HD1 ILE 76 -0.260 -2.121 7.024 624 H LYS 77 H LYS 77 -5.112 -2.004 5.989 625 HA LYS 77 HA LYS 77 -6.999 -3.948 6.793 626 HB2 LYS 77 2HB LYS 77 -7.176 -1.834 4.607 627 HB3 LYS 77 3HB LYS 77 -8.557 -2.735 5.219 628 HG2 LYS 77 2HG LYS 77 -8.283 -1.722 7.436 629 HG3 LYS 77 3HG LYS 77 -6.819 -0.897 6.895 630 HD2 LYS 77 2HD LYS 77 -8.704 0.673 6.898 631 HD3 LYS 77 3HD LYS 77 -8.163 0.389 5.244 632 HE2 LYS 77 2HE LYS 77 -10.031 -1.146 4.867 633 HE3 LYS 77 3HE LYS 77 -10.549 -0.968 6.543 634 HZ1 LYS 77 3HZ LYS 77 -10.484 1.201 4.508 635 HZ2 LYS 77 1HZ LYS 77 -10.967 1.373 6.122 636 HZ3 LYS 77 2HZ LYS 77 -11.867 0.403 5.073 637 H VAL 78 H VAL 78 -5.484 -3.342 3.649 638 HA VAL 78 HA VAL 78 -6.827 -5.402 2.193 639 HB VAL 78 HB VAL 78 -4.340 -3.734 1.595 640 HG11 VAL 78 1HG1 VAL 78 -5.845 -5.542 -0.328 641 HG12 VAL 78 2HG1 VAL 78 -4.195 -5.781 0.250 642 HG13 VAL 78 3HG1 VAL 78 -4.578 -4.396 -0.773 643 HG21 VAL 78 3HG2 VAL 78 -7.215 -3.480 0.628 644 HG22 VAL 78 1HG2 VAL 78 -5.871 -2.435 0.165 645 HG23 VAL 78 2HG2 VAL 78 -6.433 -2.454 1.833 646 H TYR 79 H TYR 79 -3.625 -5.163 3.703 647 HA TYR 79 HA TYR 79 -2.677 -7.743 2.946 648 HB2 TYR 79 2HB TYR 79 -1.768 -5.623 4.897 649 HB3 TYR 79 3HB TYR 79 -1.051 -7.223 4.997 650 HD1 TYR 79 HD2 TYR 79 -1.359 -4.200 2.846 651 HD2 TYR 79 HD1 TYR 79 0.510 -8.015 3.316 652 HE1 TYR 79 HE2 TYR 79 0.270 -3.626 1.094 653 HE2 TYR 79 HE1 TYR 79 2.118 -7.440 1.571 654 HH TYR 79 HH TYR 79 2.334 -5.955 -0.303 655 H ALA 80 H ALA 80 -4.711 -6.647 5.580 656 HA ALA 80 HA ALA 80 -4.438 -8.885 7.326 657 HB1 ALA 80 3HB ALA 80 -6.812 -7.015 6.984 658 HB2 ALA 80 1HB ALA 80 -5.438 -6.752 8.059 659 HB3 ALA 80 2HB ALA 80 -6.537 -8.099 8.353 660 H GLU 81 H GLU 81 -6.436 -8.211 4.515 661 HA GLU 81 HA GLU 81 -8.107 -10.521 4.581 662 HB2 GLU 81 2HB GLU 81 -7.253 -8.840 2.184 663 HB3 GLU 81 3HB GLU 81 -8.626 -9.930 2.236 664 HG2 GLU 81 2HG GLU 81 -8.371 -7.457 3.965 665 HG3 GLU 81 3HG GLU 81 -9.201 -7.496 2.414 666 H LEU 82 H LEU 82 -4.818 -9.989 3.585 667 HA LEU 82 HA LEU 82 -4.651 -12.416 1.923 668 HB2 LEU 82 2HB LEU 82 -2.522 -10.302 2.459 669 HB3 LEU 82 3HB LEU 82 -2.456 -11.568 1.243 670 HG LEU 82 HG LEU 82 -4.274 -9.136 1.253 671 HD11 LEU 82 1HD1 LEU 82 -3.124 -8.524 -0.812 672 HD12 LEU 82 2HD1 LEU 82 -2.121 -9.972 -0.706 673 HD13 LEU 82 3HD1 LEU 82 -1.973 -8.704 0.513 674 HD21 LEU 82 3HD2 LEU 82 -4.330 -11.480 -0.662 675 HD22 LEU 82 1HD2 LEU 82 -5.170 -9.948 -0.915 676 HD23 LEU 82 2HD2 LEU 82 -5.609 -10.979 0.444 677 H GLY 83 H GLY 83 -3.718 -11.239 5.056 678 HA2 GLY 83 2HA GLY 83 -2.003 -13.619 5.561 679 HA3 GLY 83 3HA GLY 83 -1.810 -12.056 6.348 680 H TYR 84 H TYR 84 -3.510 -11.319 7.758 681 HA TYR 84 HA TYR 84 -5.642 -12.919 8.683 682 HB2 TYR 84 2HB TYR 84 -3.940 -14.381 9.679 683 HB3 TYR 84 3HB TYR 84 -3.085 -13.007 10.369 684 HD1 TYR 84 HD2 TYR 84 -6.517 -14.597 10.505 685 HD2 TYR 84 HD1 TYR 84 -3.430 -12.579 12.665 686 HE1 TYR 84 HE2 TYR 84 -7.830 -14.795 12.573 687 HE2 TYR 84 HE1 TYR 84 -4.750 -12.775 14.726 688 HH TYR 84 HH TYR 84 -7.073 -13.063 15.404 689 H ASN 85 H ASN 85 -3.174 -10.781 10.125 690 HA ASN 85 HA ASN 85 -4.724 -8.455 10.439 691 HB2 ASN 85 2HB ASN 85 -6.068 -9.839 12.011 692 HB3 ASN 85 3HB ASN 85 -4.626 -10.253 12.915 693 HD21 ASN 85 1HD2 ASN 85 -6.849 -7.646 12.111 694 HD22 ASN 85 2HD2 ASN 85 -6.457 -6.649 13.464 695 H ASP 86 H ASP 86 -2.258 -10.574 11.844 696 HA ASP 86 HA ASP 86 -0.509 -8.536 12.816 697 HB2 ASP 86 2HB ASP 86 0.134 -11.442 12.146 698 HB3 ASP 86 3HB ASP 86 1.119 -10.370 13.136 699 H ILE 87 H ILE 87 -0.084 -7.087 11.205 700 HA ILE 87 HA ILE 87 1.397 -8.031 8.796 701 HB ILE 87 HB ILE 87 -0.337 -5.509 9.037 702 HG12 ILE 87 2HG1 ILE 87 -1.815 -7.469 9.077 703 HG13 ILE 87 3HG1 ILE 87 -1.958 -6.695 7.507 704 HG21 ILE 87 1HG2 ILE 87 1.487 -5.259 7.405 705 HG22 ILE 87 2HG2 ILE 87 -0.070 -5.326 6.587 706 HG23 ILE 87 3HG2 ILE 87 0.987 -6.740 6.581 707 HD11 ILE 87 3HD1 ILE 87 -0.475 -8.435 6.552 708 HD12 ILE 87 1HD1 ILE 87 -1.948 -9.098 7.263 709 HD13 ILE 87 2HD1 ILE 87 -0.419 -9.220 8.131 710 H ASN 88 H ASN 88 3.262 -6.843 8.207 711 HA ASN 88 HA ASN 88 4.578 -5.377 10.371 712 HB2 ASN 88 2HB ASN 88 5.916 -7.069 9.276 713 HB3 ASN 88 3HB ASN 88 5.501 -6.471 7.673 714 HD21 ASN 88 1HD2 ASN 88 7.637 -6.160 7.034 715 HD22 ASN 88 2HD2 ASN 88 8.668 -4.951 7.709 716 H VAL 89 H VAL 89 3.988 -3.251 10.482 717 HA VAL 89 HA VAL 89 4.097 -1.602 8.016 718 HB VAL 89 HB VAL 89 2.026 -1.292 9.310 719 HG11 VAL 89 1HG1 VAL 89 1.954 -0.279 11.543 720 HG12 VAL 89 2HG1 VAL 89 3.714 -0.340 11.639 721 HG13 VAL 89 3HG1 VAL 89 2.785 -1.838 11.575 722 HG21 VAL 89 3HG2 VAL 89 2.042 1.168 9.461 723 HG22 VAL 89 1HG2 VAL 89 2.907 0.611 8.028 724 HG23 VAL 89 2HG2 VAL 89 3.805 1.168 9.440 725 H THR 90 H THR 90 5.852 -0.388 7.709 726 HA THR 90 HA THR 90 7.518 0.527 9.937 727 HB THR 90 HB THR 90 8.707 -0.872 7.486 728 HG1 THR 90 HG1 THR 90 7.745 -2.306 9.078 729 HG21 THR 90 3HG2 THR 90 10.160 0.935 8.340 730 HG22 THR 90 1HG2 THR 90 10.865 -0.640 8.698 731 HG23 THR 90 2HG2 THR 90 10.053 0.272 9.972 732 H TRP 91 H TRP 91 7.482 2.661 9.717 733 HA TRP 91 HA TRP 91 7.048 3.990 7.175 734 HB2 TRP 91 2HB TRP 91 7.550 5.080 9.986 735 HB3 TRP 91 3HB TRP 91 7.153 6.073 8.585 736 HD1 TRP 91 HD1 TRP 91 4.633 5.794 7.563 737 HE1 TRP 91 HE1 TRP 91 2.432 5.090 8.672 738 HE3 TRP 91 HE3 TRP 91 6.497 3.560 11.764 739 HZ2 TRP 91 HZ2 TRP 91 1.574 3.776 10.997 740 HZ3 TRP 91 HZ3 TRP 91 4.918 2.589 13.383 741 HH2 TRP 91 HH2 TRP 91 2.502 2.695 13.008 742 H ASP 92 H ASP 92 8.741 3.916 5.831 743 HA ASP 92 HA ASP 92 11.497 3.920 6.469 744 HB2 ASP 92 2HB ASP 92 10.709 3.019 4.359 745 HB3 ASP 92 3HB ASP 92 9.990 4.556 3.897 746 H GLY 93 H GLY 93 9.207 6.523 6.043 747 HA2 GLY 93 2HA GLY 93 9.743 8.598 7.274 748 HA3 GLY 93 3HA GLY 93 11.319 8.588 6.483 749 H ASP 94 H ASP 94 11.374 8.827 4.157 750 HA ASP 94 HA ASP 94 9.487 10.714 3.059 751 HB2 ASP 94 2HB ASP 94 11.674 9.116 1.648 752 HB3 ASP 94 3HB ASP 94 10.816 10.493 0.963 753 H THR 95 H THR 95 9.402 7.397 3.422 754 HA THR 95 HA THR 95 7.188 7.056 1.525 755 HB THR 95 HB THR 95 9.514 5.058 1.790 756 HG1 THR 95 HG1 THR 95 9.191 7.275 0.142 757 HG21 THR 95 3HG2 THR 95 7.280 5.194 -0.271 758 HG22 THR 95 1HG2 THR 95 7.341 4.051 1.074 759 HG23 THR 95 2HG2 THR 95 8.568 3.984 -0.195 760 H VAL 96 H VAL 96 5.536 5.710 2.450 761 HA VAL 96 HA VAL 96 6.116 4.337 5.007 762 HB VAL 96 HB VAL 96 4.061 5.617 5.101 763 HG11 VAL 96 1HG1 VAL 96 2.104 5.237 3.660 764 HG12 VAL 96 2HG1 VAL 96 3.032 4.092 2.687 765 HG13 VAL 96 3HG1 VAL 96 3.494 5.794 2.723 766 HG21 VAL 96 3HG2 VAL 96 4.057 3.475 6.309 767 HG22 VAL 96 1HG2 VAL 96 3.386 2.656 4.895 768 HG23 VAL 96 2HG2 VAL 96 2.435 3.875 5.747 769 H THR 97 H THR 97 6.303 2.156 5.106 770 HA THR 97 HA THR 97 5.920 0.547 2.645 771 HB THR 97 HB THR 97 8.161 0.328 4.710 772 HG1 THR 97 HG1 THR 97 7.943 1.584 2.221 773 HG21 THR 97 3HG2 THR 97 9.149 -1.356 3.199 774 HG22 THR 97 1HG2 THR 97 7.725 -1.261 2.154 775 HG23 THR 97 2HG2 THR 97 7.579 -1.891 3.794 776 H VAL 98 H VAL 98 4.655 -1.188 2.928 777 HA VAL 98 HA VAL 98 4.302 -2.427 5.589 778 HB VAL 98 HB VAL 98 2.055 -1.669 3.650 779 HG11 VAL 98 1HG1 VAL 98 0.482 -2.832 5.170 780 HG12 VAL 98 2HG1 VAL 98 1.845 -3.453 6.104 781 HG13 VAL 98 3HG1 VAL 98 1.625 -3.954 4.426 782 HG21 VAL 98 3HG2 VAL 98 2.492 -0.928 6.572 783 HG22 VAL 98 1HG2 VAL 98 1.113 -0.440 5.582 784 HG23 VAL 98 2HG2 VAL 98 2.732 0.140 5.189 785 H GLU 99 H GLU 99 4.496 -4.595 5.529 786 HA GLU 99 HA GLU 99 4.372 -6.056 2.971 787 HB2 GLU 99 2HB GLU 99 6.741 -5.584 3.357 788 HB3 GLU 99 3HB GLU 99 6.639 -6.161 5.017 789 HG2 GLU 99 2HG GLU 99 6.353 -8.430 4.306 790 HG3 GLU 99 3HG GLU 99 6.104 -7.952 2.637 791 H GLY 100 H GLY 100 3.563 -8.134 3.128 792 HA2 GLY 100 2HA GLY 100 2.068 -8.917 5.474 793 HA3 GLY 100 3HA GLY 100 2.248 -9.831 3.980 794 H GLN 101 H GLN 101 2.374 -10.905 6.663 795 HA GLN 101 HA GLN 101 5.214 -11.740 6.893 796 HB2 GLN 101 2HB GLN 101 3.095 -11.513 9.070 797 HB3 GLN 101 3HB GLN 101 4.705 -12.188 9.312 798 HG2 GLN 101 2HG GLN 101 5.714 -10.011 8.706 799 HG3 GLN 101 3HG GLN 101 4.095 -9.332 8.489 800 HE21 GLN 101 1HE2 GLN 101 2.770 -9.073 10.354 801 HE22 GLN 101 2HE2 GLN 101 3.447 -8.994 11.937 802 H LEU 102 H LEU 102 5.698 -13.827 6.781 803 HA LEU 102 HA LEU 102 3.733 -15.821 6.069 804 HB2 LEU 102 2HB LEU 102 6.741 -16.026 6.544 805 HB3 LEU 102 3HB LEU 102 5.740 -17.373 6.032 806 HG LEU 102 HG LEU 102 6.824 -16.591 4.058 807 HD11 LEU 102 1HD1 LEU 102 4.020 -15.438 3.998 808 HD12 LEU 102 2HD1 LEU 102 4.450 -17.131 3.752 809 HD13 LEU 102 3HD1 LEU 102 4.993 -15.915 2.605 810 HD21 LEU 102 3HD2 LEU 102 6.844 -14.268 3.258 811 HD22 LEU 102 1HD2 LEU 102 7.589 -14.383 4.852 812 HD23 LEU 102 2HD2 LEU 102 5.954 -13.741 4.687 813 H GLU 103 H GLU 103 2.461 -16.537 7.656 814 HA GLU 103 HA GLU 103 3.602 -17.159 10.326 815 HB2 GLU 103 2HB GLU 103 2.358 -14.981 10.337 816 HB3 GLU 103 3HB GLU 103 0.914 -15.803 9.758 817 HG2 GLU 103 2HG GLU 103 0.801 -15.328 12.173 818 HG3 GLU 103 3HG GLU 103 0.752 -17.059 11.850 819 H GLY 104 H GLY 104 2.720 -18.948 11.395 820 HA2 GLY 104 2HA GLY 104 0.528 -20.494 10.276 821 HA3 GLY 104 3HA GLY 104 2.122 -21.227 10.074 822 H VAL 105 H VAL 105 0.576 -19.396 12.737 823 HA VAL 105 HA VAL 105 1.340 -21.375 14.720 824 HB VAL 105 HB VAL 105 -0.077 -19.886 16.305 825 HG11 VAL 105 1HG1 VAL 105 1.685 -18.181 16.521 826 HG12 VAL 105 2HG1 VAL 105 2.331 -18.633 14.941 827 HG13 VAL 105 3HG1 VAL 105 2.366 -19.788 16.274 828 HG21 VAL 105 3HG2 VAL 105 -0.042 -17.995 13.916 829 HG22 VAL 105 1HG2 VAL 105 -0.540 -17.564 15.556 830 HG23 VAL 105 2HG2 VAL 105 -1.471 -18.740 14.631 831 H ASP 106 H ASP 106 0.173 -23.131 15.211 832 HA ASP 106 HA ASP 106 -2.758 -23.191 14.791 833 HB2 ASP 106 2HB ASP 106 -1.741 -24.410 12.912 834 HB3 ASP 106 3HB ASP 106 -0.747 -25.359 14.011 Start of MODEL 11 1 H1 MET 1 1H MET 1 -6.018 26.836 -13.627 2 H2 MET 1 2H MET 1 -7.568 27.412 -13.298 3 H3 MET 1 3H MET 1 -6.585 26.868 -12.041 4 HA MET 1 HA MET 1 -6.011 29.188 -13.761 5 HB2 MET 1 2HB MET 1 -6.900 29.191 -10.834 6 HB3 MET 1 3HB MET 1 -6.605 30.603 -11.839 7 HG2 MET 1 2HG MET 1 -8.525 29.894 -13.283 8 HG3 MET 1 3HG MET 1 -8.854 28.605 -12.127 9 HE1 MET 1 3HE MET 1 -9.802 30.691 -8.910 10 HE2 MET 1 1HE MET 1 -8.156 30.207 -9.319 11 HE3 MET 1 2HE MET 1 -9.496 29.084 -9.567 12 H HIS 2 H HIS 2 -4.005 27.805 -13.945 13 HA HIS 2 HA HIS 2 -1.806 27.495 -13.631 14 HB2 HIS 2 2HB HIS 2 -2.084 30.082 -13.497 15 HB3 HIS 2 3HB HIS 2 -1.829 29.909 -11.765 16 HD1 HIS 2 HD1 HIS 2 -0.076 29.462 -15.073 17 HD2 HIS 2 HD2 HIS 2 0.860 29.630 -11.032 18 HE1 HIS 2 HE1 HIS 2 2.423 29.595 -14.965 19 HE2 HIS 2 HE2 HIS 2 2.964 29.587 -12.515 20 H HIS 3 H HIS 3 -3.326 25.856 -12.104 21 HA HIS 3 HA HIS 3 -2.028 25.676 -9.435 22 HB2 HIS 3 2HB HIS 3 -4.525 26.049 -9.466 23 HB3 HIS 3 3HB HIS 3 -4.725 24.520 -10.316 24 HD1 HIS 3 HD1 HIS 3 -4.765 22.415 -8.911 25 HD2 HIS 3 HD2 HIS 3 -3.630 25.757 -6.723 26 HE1 HIS 3 HE1 HIS 3 -4.660 21.651 -6.528 27 HE2 HIS 3 HE2 HIS 3 -3.959 23.677 -5.231 28 H HIS 4 H HIS 4 -1.665 24.415 -12.417 29 HA HIS 4 HA HIS 4 -1.784 21.598 -12.114 30 HB2 HIS 4 2HB HIS 4 -0.153 23.297 -14.041 31 HB3 HIS 4 3HB HIS 4 -0.276 21.549 -14.147 32 HD1 HIS 4 HD1 HIS 4 -2.268 20.589 -15.335 33 HD2 HIS 4 HD2 HIS 4 -2.623 24.681 -14.685 34 HE1 HIS 4 HE1 HIS 4 -4.226 21.327 -16.719 35 HE2 HIS 4 HE2 HIS 4 -4.538 23.750 -16.147 36 H HIS 5 H HIS 5 0.745 23.954 -11.438 37 HA HIS 5 HA HIS 5 2.850 22.079 -10.978 38 HB2 HIS 5 2HB HIS 5 4.117 23.948 -10.070 39 HB3 HIS 5 3HB HIS 5 3.252 24.482 -11.509 40 HD1 HIS 5 HD1 HIS 5 3.669 25.202 -7.918 41 HD2 HIS 5 HD2 HIS 5 1.043 26.272 -10.947 42 HE1 HIS 5 HE1 HIS 5 2.443 27.211 -7.068 43 HE2 HIS 5 HE2 HIS 5 0.731 27.699 -8.832 44 H HIS 6 H HIS 6 3.512 21.112 -9.099 45 HA HIS 6 HA HIS 6 1.593 21.173 -6.842 46 HB2 HIS 6 2HB HIS 6 3.227 18.828 -7.896 47 HB3 HIS 6 3HB HIS 6 2.192 18.777 -6.471 48 HD1 HIS 6 HD1 HIS 6 2.114 17.903 -9.911 49 HD2 HIS 6 HD2 HIS 6 -0.638 19.566 -7.288 50 HE1 HIS 6 HE1 HIS 6 -0.131 17.551 -10.969 51 HE2 HIS 6 HE2 HIS 6 -1.769 18.373 -9.264 52 H HIS 7 H HIS 7 2.340 21.430 -4.832 53 HA HIS 7 HA HIS 7 5.183 21.303 -4.177 54 HB2 HIS 7 2HB HIS 7 4.617 23.658 -5.091 55 HB3 HIS 7 3HB HIS 7 3.637 23.886 -3.650 56 HD1 HIS 7 HD1 HIS 7 7.166 23.729 -4.844 57 HD2 HIS 7 HD2 HIS 7 5.145 24.258 -1.252 58 HE1 HIS 7 HE1 HIS 7 8.873 24.608 -3.229 59 HE2 HIS 7 HE2 HIS 7 7.660 24.801 -1.044 60 H ARG 8 H ARG 8 1.812 21.612 -3.272 61 HA ARG 8 HA ARG 8 1.989 21.373 -0.462 62 HB2 ARG 8 2HB ARG 8 -0.187 20.272 -2.301 63 HB3 ARG 8 3HB ARG 8 -0.352 20.563 -0.574 64 HG2 ARG 8 2HG ARG 8 -0.018 22.663 -2.739 65 HG3 ARG 8 3HG ARG 8 -1.494 22.291 -1.847 66 HD2 ARG 8 2HD ARG 8 1.053 23.502 -0.743 67 HD3 ARG 8 3HD ARG 8 -0.511 24.298 -0.937 68 HE ARG 8 HE ARG 8 -1.043 22.174 0.690 69 HH11 ARG 8 1HH1 ARG 8 1.195 24.889 0.911 70 HH12 ARG 8 2HH1 ARG 8 1.173 24.911 2.648 71 HH21 ARG 8 1HH2 ARG 8 -1.054 22.221 2.956 72 HH22 ARG 8 2HH2 ARG 8 -0.098 23.401 3.804 73 H SER 9 H SER 9 1.563 18.950 -3.022 74 HA SER 9 HA SER 9 3.158 16.973 -1.635 75 HB2 SER 9 2HB SER 9 0.853 16.589 -0.677 76 HB3 SER 9 3HB SER 9 0.235 16.328 -2.306 77 HG SER 9 HG SER 9 1.310 14.545 -0.682 78 H GLY 10 H GLY 10 3.318 14.952 -3.089 79 HA2 GLY 10 2HA GLY 10 3.526 15.793 -5.933 80 HA3 GLY 10 3HA GLY 10 4.535 14.583 -5.144 81 H ASP 11 H ASP 11 3.571 13.635 -7.355 82 HA ASP 11 HA ASP 11 0.981 12.405 -7.193 83 HB2 ASP 11 2HB ASP 11 3.379 11.837 -8.988 84 HB3 ASP 11 3HB ASP 11 1.843 10.980 -9.138 85 H ILE 12 H ILE 12 0.446 10.682 -6.049 86 HA ILE 12 HA ILE 12 2.336 9.521 -4.248 87 HB ILE 12 HB ILE 12 -0.576 8.744 -4.677 88 HG12 ILE 12 2HG1 ILE 12 0.534 10.775 -2.675 89 HG13 ILE 12 3HG1 ILE 12 -0.296 11.198 -4.163 90 HG21 ILE 12 1HG2 ILE 12 -0.434 7.917 -2.340 91 HG22 ILE 12 2HG2 ILE 12 1.286 8.298 -2.317 92 HG23 ILE 12 3HG2 ILE 12 0.669 7.063 -3.418 93 HD11 ILE 12 3HD1 ILE 12 -1.754 11.389 -2.236 94 HD12 ILE 12 1HD1 ILE 12 -1.525 9.681 -1.864 95 HD13 ILE 12 2HD1 ILE 12 -2.339 10.162 -3.356 96 H GLN 13 H GLN 13 3.739 8.118 -5.087 97 HA GLN 13 HA GLN 13 3.069 6.123 -7.088 98 HB2 GLN 13 2HB GLN 13 5.230 7.369 -7.111 99 HB3 GLN 13 3HB GLN 13 5.645 6.674 -5.550 100 HG2 GLN 13 2HG GLN 13 5.707 4.429 -6.554 101 HG3 GLN 13 3HG GLN 13 5.267 5.106 -8.122 102 HE21 GLN 13 1HE2 GLN 13 7.653 3.609 -7.346 103 HE22 GLN 13 2HE2 GLN 13 9.003 4.612 -7.728 104 H VAL 14 H VAL 14 1.954 4.410 -6.371 105 HA VAL 14 HA VAL 14 2.431 3.167 -3.761 106 HB VAL 14 HB VAL 14 0.433 2.425 -5.965 107 HG11 VAL 14 1HG1 VAL 14 -0.674 1.031 -4.249 108 HG12 VAL 14 2HG1 VAL 14 0.599 1.431 -3.092 109 HG13 VAL 14 3HG1 VAL 14 0.984 0.496 -4.538 110 HG21 VAL 14 3HG2 VAL 14 -1.294 3.477 -4.540 111 HG22 VAL 14 1HG2 VAL 14 -0.065 4.649 -5.023 112 HG23 VAL 14 2HG2 VAL 14 -0.053 3.980 -3.390 113 H GLN 15 H GLN 15 4.138 1.834 -3.709 114 HA GLN 15 HA GLN 15 5.108 0.464 -6.140 115 HB2 GLN 15 2HB GLN 15 6.528 0.971 -3.484 116 HB3 GLN 15 3HB GLN 15 7.259 0.338 -4.959 117 HG2 GLN 15 2HG GLN 15 6.842 2.492 -6.091 118 HG3 GLN 15 3HG GLN 15 6.104 3.123 -4.622 119 HE21 GLN 15 1HE2 GLN 15 9.111 2.141 -6.118 120 HE22 GLN 15 2HE2 GLN 15 10.152 2.902 -4.967 121 H ASN 16 H ASN 16 4.319 -1.585 -6.265 122 HA ASN 16 HA ASN 16 4.101 -3.238 -3.819 123 HB2 ASN 16 2HB ASN 16 2.048 -3.223 -5.128 124 HB3 ASN 16 3HB ASN 16 2.922 -3.581 -6.613 125 HD21 ASN 16 1HD2 ASN 16 2.696 -4.981 -3.327 126 HD22 ASN 16 2HD2 ASN 16 2.498 -6.608 -3.865 127 H ASN 17 H ASN 17 5.906 -4.324 -3.443 128 HA ASN 17 HA ASN 17 7.514 -5.453 -5.629 129 HB2 ASN 17 2HB ASN 17 8.808 -4.145 -4.027 130 HB3 ASN 17 3HB ASN 17 8.131 -5.045 -2.677 131 HD21 ASN 17 1HD2 ASN 17 10.257 -5.282 -5.478 132 HD22 ASN 17 2HD2 ASN 17 11.148 -6.653 -4.924 133 H ASN 18 H ASN 18 7.274 -7.524 -6.077 134 HA ASN 18 HA ASN 18 6.712 -9.486 -3.980 135 HB2 ASN 18 2HB ASN 18 4.955 -10.618 -5.342 136 HB3 ASN 18 3HB ASN 18 4.462 -9.002 -4.856 137 HD21 ASN 18 1HD2 ASN 18 4.419 -7.339 -6.483 138 HD22 ASN 18 2HD2 ASN 18 4.288 -7.744 -8.157 139 H THR 19 H THR 19 8.182 -11.043 -4.171 140 HA THR 19 HA THR 19 9.274 -11.782 -6.820 141 HB THR 19 HB THR 19 10.959 -11.617 -4.275 142 HG1 THR 19 HG1 THR 19 10.411 -9.681 -6.241 143 HG21 THR 19 3HG2 THR 19 11.812 -13.238 -5.946 144 HG22 THR 19 1HG2 THR 19 12.879 -11.837 -5.839 145 HG23 THR 19 2HG2 THR 19 11.760 -11.992 -7.196 146 H CYS 20 H CYS 20 8.749 -13.850 -7.166 147 HA CYS 20 HA CYS 20 7.920 -15.541 -4.898 148 HB2 CYS 20 2HB CYS 20 7.271 -15.941 -7.839 149 HB3 CYS 20 3HB CYS 20 6.409 -16.574 -6.439 150 H ASN 21 H ASN 21 9.585 -15.789 -8.056 151 HA ASN 21 HA ASN 21 11.286 -17.988 -7.050 152 HB2 ASN 21 2HB ASN 21 9.978 -17.883 -9.821 153 HB3 ASN 21 3HB ASN 21 11.127 -19.101 -9.280 154 HD21 ASN 21 1HD2 ASN 21 7.842 -17.952 -9.025 155 HD22 ASN 21 2HD2 ASN 21 7.202 -19.333 -8.202 156 H GLY 22 H GLY 22 10.966 -16.135 -10.121 157 HA2 GLY 22 2HA GLY 22 13.615 -14.891 -9.684 158 HA3 GLY 22 3HA GLY 22 13.332 -15.824 -11.148 159 H LYS 23 H LYS 23 11.824 -15.058 -12.712 160 HA LYS 23 HA LYS 23 11.634 -12.189 -12.892 161 HB2 LYS 23 2HB LYS 23 10.504 -12.568 -15.059 162 HB3 LYS 23 3HB LYS 23 12.021 -13.441 -14.934 163 HG2 LYS 23 2HG LYS 23 10.875 -15.557 -14.641 164 HG3 LYS 23 3HG LYS 23 9.315 -14.740 -14.505 165 HD2 LYS 23 2HD LYS 23 9.689 -15.795 -16.747 166 HD3 LYS 23 3HD LYS 23 9.380 -14.059 -16.827 167 HE2 LYS 23 2HE LYS 23 11.184 -14.754 -18.367 168 HE3 LYS 23 3HE LYS 23 11.774 -13.624 -17.148 169 HZ1 LYS 23 3HZ LYS 23 12.639 -15.536 -15.907 170 HZ2 LYS 23 1HZ LYS 23 13.324 -15.419 -17.446 171 HZ3 LYS 23 2HZ LYS 23 12.130 -16.571 -17.135 172 H THR 24 H THR 24 9.804 -10.936 -12.829 173 HA THR 24 HA THR 24 7.190 -11.900 -12.192 174 HB THR 24 HB THR 24 8.207 -12.433 -10.031 175 HG1 THR 24 HG1 THR 24 6.996 -10.480 -8.849 176 HG21 THR 24 3HG2 THR 24 9.094 -9.524 -9.870 177 HG22 THR 24 1HG2 THR 24 10.161 -10.919 -10.093 178 HG23 THR 24 2HG2 THR 24 9.256 -10.729 -8.592 179 H PHE 25 H PHE 25 5.739 -10.066 -11.591 180 HA PHE 25 HA PHE 25 6.626 -7.516 -12.815 181 HB2 PHE 25 2HB PHE 25 3.877 -8.851 -12.876 182 HB3 PHE 25 3HB PHE 25 4.215 -7.237 -13.500 183 HD1 PHE 25 HD1 PHE 25 5.802 -6.964 -15.457 184 HD2 PHE 25 HD2 PHE 25 4.404 -10.818 -14.212 185 HE1 PHE 25 HE1 PHE 25 6.509 -7.925 -17.609 186 HE2 PHE 25 HE2 PHE 25 5.111 -11.764 -16.374 187 HZ PHE 25 HZ PHE 25 6.167 -10.319 -18.069 188 H ASP 26 H ASP 26 6.954 -6.117 -11.249 189 HA ASP 26 HA ASP 26 5.575 -6.068 -8.719 190 HB2 ASP 26 2HB ASP 26 7.482 -4.043 -9.991 191 HB3 ASP 26 3HB ASP 26 6.945 -4.024 -8.313 192 H TYR 27 H TYR 27 3.479 -5.391 -8.694 193 HA TYR 27 HA TYR 27 2.348 -3.913 -10.894 194 HB2 TYR 27 2HB TYR 27 0.935 -4.636 -8.304 195 HB3 TYR 27 3HB TYR 27 0.205 -4.334 -9.877 196 HD1 TYR 27 HD1 TYR 27 1.319 -6.003 -11.795 197 HD2 TYR 27 HD2 TYR 27 0.885 -6.889 -7.637 198 HE1 TYR 27 HE1 TYR 27 1.377 -8.404 -12.293 199 HE2 TYR 27 HE2 TYR 27 0.944 -9.290 -8.133 200 HH TYR 27 HH TYR 27 1.937 -10.532 -11.100 201 H THR 28 H THR 28 3.595 -1.973 -10.678 202 HA THR 28 HA THR 28 3.266 -0.265 -8.347 203 HB THR 28 HB THR 28 4.757 0.235 -10.958 204 HG1 THR 28 HG1 THR 28 5.395 -1.525 -9.286 205 HG21 THR 28 3HG2 THR 28 4.207 2.357 -9.799 206 HG22 THR 28 1HG2 THR 28 5.937 2.022 -9.682 207 HG23 THR 28 2HG2 THR 28 4.884 1.724 -8.299 208 H TYR 29 H TYR 29 1.783 1.268 -8.187 209 HA TYR 29 HA TYR 29 0.286 2.208 -10.559 210 HB2 TYR 29 2HB TYR 29 -0.565 2.271 -7.618 211 HB3 TYR 29 3HB TYR 29 -1.552 2.720 -9.007 212 HD1 TYR 29 HD1 TYR 29 -2.124 0.857 -10.732 213 HD2 TYR 29 HD2 TYR 29 -0.586 0.010 -6.832 214 HE1 TYR 29 HE1 TYR 29 -2.946 -1.454 -10.906 215 HE2 TYR 29 HE2 TYR 29 -1.408 -2.294 -7.013 216 HH TYR 29 HH TYR 29 -2.409 -3.686 -9.909 217 H THR 30 H THR 30 0.002 4.452 -10.799 218 HA THR 30 HA THR 30 1.334 6.252 -8.856 219 HB THR 30 HB THR 30 1.374 6.569 -11.901 220 HG1 THR 30 HG1 THR 30 2.914 5.079 -10.411 221 HG21 THR 30 3HG2 THR 30 1.290 8.757 -10.715 222 HG22 THR 30 1HG2 THR 30 2.865 8.495 -11.468 223 HG23 THR 30 2HG2 THR 30 2.674 8.276 -9.729 224 H VAL 31 H VAL 31 -0.343 7.161 -7.881 225 HA VAL 31 HA VAL 31 -2.746 7.962 -9.424 226 HB VAL 31 HB VAL 31 -3.991 7.820 -7.252 227 HG11 VAL 31 1HG1 VAL 31 -2.579 5.236 -8.054 228 HG12 VAL 31 2HG1 VAL 31 -4.031 5.905 -8.803 229 HG13 VAL 31 3HG1 VAL 31 -4.086 5.341 -7.133 230 HG21 VAL 31 3HG2 VAL 31 -2.131 8.179 -5.685 231 HG22 VAL 31 1HG2 VAL 31 -1.414 6.634 -6.148 232 HG23 VAL 31 2HG2 VAL 31 -2.965 6.672 -5.307 233 H THR 32 H THR 32 -3.298 10.053 -9.454 234 HA THR 32 HA THR 32 -1.519 12.029 -8.229 235 HB THR 32 HB THR 32 -2.158 12.165 -10.651 236 HG1 THR 32 HG1 THR 32 -1.467 14.032 -9.656 237 HG21 THR 32 3HG2 THR 32 -4.920 12.916 -9.618 238 HG22 THR 32 1HG2 THR 32 -4.515 11.457 -10.532 239 HG23 THR 32 2HG2 THR 32 -4.374 13.042 -11.291 240 H THR 33 H THR 33 -4.548 10.577 -7.606 241 HA THR 33 HA THR 33 -5.241 12.592 -5.561 242 HB THR 33 HB THR 33 -7.281 11.084 -7.278 243 HG1 THR 33 HG1 THR 33 -6.869 12.591 -8.693 244 HG21 THR 33 3HG2 THR 33 -8.912 12.681 -6.323 245 HG22 THR 33 1HG2 THR 33 -7.646 13.390 -5.318 246 HG23 THR 33 2HG2 THR 33 -8.155 11.719 -5.054 247 H GLU 34 H GLU 34 -6.041 11.785 -3.634 248 HA GLU 34 HA GLU 34 -5.110 9.270 -2.735 249 HB2 GLU 34 2HB GLU 34 -7.060 11.194 -1.423 250 HB3 GLU 34 3HB GLU 34 -6.251 9.863 -0.599 251 HG2 GLU 34 2HG GLU 34 -4.075 10.934 -0.933 252 HG3 GLU 34 3HG GLU 34 -4.829 12.224 -1.870 253 H SER 35 H SER 35 -8.208 10.238 -4.028 254 HA SER 35 HA SER 35 -9.850 8.191 -3.023 255 HB2 SER 35 2HB SER 35 -11.288 8.682 -5.040 256 HB3 SER 35 3HB SER 35 -10.831 10.118 -4.122 257 HG SER 35 HG SER 35 -10.601 10.246 -6.475 258 H GLU 36 H GLU 36 -8.031 8.389 -6.088 259 HA GLU 36 HA GLU 36 -8.660 5.805 -7.043 260 HB2 GLU 36 2HB GLU 36 -6.319 7.616 -7.760 261 HB3 GLU 36 3HB GLU 36 -6.883 6.247 -8.712 262 HG2 GLU 36 2HG GLU 36 -8.454 8.777 -8.135 263 HG3 GLU 36 3HG GLU 36 -7.666 8.372 -9.656 264 H LEU 37 H LEU 37 -6.177 6.984 -4.899 265 HA LEU 37 HA LEU 37 -4.358 4.860 -4.825 266 HB2 LEU 37 2HB LEU 37 -4.360 7.208 -3.645 267 HB3 LEU 37 3HB LEU 37 -5.217 6.402 -2.350 268 HG LEU 37 HG LEU 37 -2.372 5.823 -3.287 269 HD11 LEU 37 1HD1 LEU 37 -1.728 6.669 -1.081 270 HD12 LEU 37 2HD1 LEU 37 -3.416 7.034 -0.714 271 HD13 LEU 37 3HD1 LEU 37 -2.588 7.885 -2.021 272 HD21 LEU 37 3HD2 LEU 37 -3.376 3.723 -2.532 273 HD22 LEU 37 1HD2 LEU 37 -3.867 4.478 -1.018 274 HD23 LEU 37 2HD2 LEU 37 -2.153 4.281 -1.398 275 H GLN 38 H GLN 38 -7.364 5.413 -3.029 276 HA GLN 38 HA GLN 38 -7.335 3.189 -1.339 277 HB2 GLN 38 2HB GLN 38 -8.788 5.259 -1.184 278 HB3 GLN 38 3HB GLN 38 -9.786 4.615 -2.475 279 HG2 GLN 38 2HG GLN 38 -9.372 3.161 0.151 280 HG3 GLN 38 3HG GLN 38 -10.645 4.352 -0.073 281 HE21 GLN 38 1HE2 GLN 38 -10.897 1.524 0.572 282 HE22 GLN 38 2HE2 GLN 38 -11.879 0.841 -0.674 283 H LYS 39 H LYS 39 -8.760 3.615 -4.597 284 HA LYS 39 HA LYS 39 -9.978 1.078 -4.832 285 HB2 LYS 39 2HB LYS 39 -9.055 3.064 -6.936 286 HB3 LYS 39 3HB LYS 39 -9.751 1.516 -7.394 287 HG2 LYS 39 2HG LYS 39 -11.484 3.108 -7.562 288 HG3 LYS 39 3HG LYS 39 -11.832 2.168 -6.109 289 HD2 LYS 39 2HD LYS 39 -11.135 3.960 -4.675 290 HD3 LYS 39 3HD LYS 39 -10.382 4.831 -6.015 291 HE2 LYS 39 2HE LYS 39 -13.361 4.346 -5.715 292 HE3 LYS 39 3HE LYS 39 -12.527 5.854 -5.331 293 HZ1 LYS 39 3HZ LYS 39 -12.637 4.588 -8.023 294 HZ2 LYS 39 1HZ LYS 39 -11.859 6.042 -7.643 295 HZ3 LYS 39 2HZ LYS 39 -13.537 5.921 -7.519 296 H VAL 40 H VAL 40 -6.742 2.234 -5.932 297 HA VAL 40 HA VAL 40 -6.131 -0.057 -7.458 298 HB VAL 40 HB VAL 40 -3.779 0.677 -7.534 299 HG11 VAL 40 1HG1 VAL 40 -5.722 2.976 -7.892 300 HG12 VAL 40 2HG1 VAL 40 -5.377 1.706 -9.065 301 HG13 VAL 40 3HG1 VAL 40 -4.116 2.855 -8.619 302 HG21 VAL 40 3HG2 VAL 40 -4.545 2.822 -5.535 303 HG22 VAL 40 1HG2 VAL 40 -2.998 2.699 -6.377 304 HG23 VAL 40 2HG2 VAL 40 -3.481 1.450 -5.229 305 H LEU 41 H LEU 41 -5.842 0.459 -4.007 306 HA LEU 41 HA LEU 41 -4.110 -1.809 -3.541 307 HB2 LEU 41 2HB LEU 41 -5.563 0.153 -1.785 308 HB3 LEU 41 3HB LEU 41 -5.127 -1.387 -1.066 309 HG LEU 41 HG LEU 41 -3.417 0.270 -0.558 310 HD11 LEU 41 1HD1 LEU 41 -2.381 -1.795 -2.514 311 HD12 LEU 41 2HD1 LEU 41 -2.623 -1.994 -0.775 312 HD13 LEU 41 3HD1 LEU 41 -1.399 -0.879 -1.366 313 HD21 LEU 41 3HD2 LEU 41 -3.009 0.626 -3.541 314 HD22 LEU 41 1HD2 LEU 41 -2.028 1.353 -2.262 315 HD23 LEU 41 2HD2 LEU 41 -3.722 1.800 -2.434 316 H ASN 42 H ASN 42 -7.621 -1.269 -3.473 317 HA ASN 42 HA ASN 42 -8.377 -3.824 -2.475 318 HB2 ASN 42 2HB ASN 42 -9.902 -1.872 -4.263 319 HB3 ASN 42 3HB ASN 42 -10.604 -3.376 -3.678 320 HD21 ASN 42 1HD2 ASN 42 -9.628 -0.174 -2.811 321 HD22 ASN 42 2HD2 ASN 42 -10.308 -0.182 -1.229 322 H GLU 43 H GLU 43 -7.782 -2.596 -5.750 323 HA GLU 43 HA GLU 43 -8.441 -5.013 -7.121 324 HB2 GLU 43 2HB GLU 43 -6.590 -2.814 -8.144 325 HB3 GLU 43 3HB GLU 43 -7.512 -3.965 -9.104 326 HG2 GLU 43 2HG GLU 43 -8.550 -1.597 -7.535 327 HG3 GLU 43 3HG GLU 43 -8.600 -1.841 -9.276 328 H LEU 44 H LEU 44 -5.415 -3.536 -5.980 329 HA LEU 44 HA LEU 44 -3.522 -5.267 -7.062 330 HB2 LEU 44 2HB LEU 44 -2.948 -3.125 -6.025 331 HB3 LEU 44 3HB LEU 44 -3.457 -3.713 -4.453 332 HG LEU 44 HG LEU 44 -1.567 -5.288 -4.388 333 HD11 LEU 44 1HD1 LEU 44 -1.381 -5.833 -6.751 334 HD12 LEU 44 2HD1 LEU 44 0.169 -5.305 -6.106 335 HD13 LEU 44 3HD1 LEU 44 -0.788 -4.207 -7.105 336 HD21 LEU 44 3HD2 LEU 44 0.270 -3.677 -4.204 337 HD22 LEU 44 1HD2 LEU 44 -1.219 -3.032 -3.510 338 HD23 LEU 44 2HD2 LEU 44 -0.674 -2.480 -5.097 339 H LYS 45 H LYS 45 -5.336 -5.482 -4.022 340 HA LYS 45 HA LYS 45 -4.073 -7.597 -2.757 341 HB2 LYS 45 2HB LYS 45 -5.850 -6.184 -1.737 342 HB3 LYS 45 3HB LYS 45 -7.051 -6.972 -2.757 343 HG2 LYS 45 2HG LYS 45 -6.400 -9.177 -1.652 344 HG3 LYS 45 3HG LYS 45 -5.403 -8.236 -0.540 345 HD2 LYS 45 2HD LYS 45 -7.563 -8.755 0.484 346 HD3 LYS 45 3HD LYS 45 -7.416 -7.015 0.232 347 HE2 LYS 45 2HE LYS 45 -8.829 -7.184 -1.787 348 HE3 LYS 45 3HE LYS 45 -8.952 -8.932 -1.566 349 HZ1 LYS 45 3HZ LYS 45 -10.081 -8.555 0.528 350 HZ2 LYS 45 1HZ LYS 45 -10.899 -7.772 -0.724 351 HZ3 LYS 45 2HZ LYS 45 -9.940 -6.883 0.345 352 H ASP 46 H ASP 46 -6.511 -7.646 -5.315 353 HA ASP 46 HA ASP 46 -7.123 -10.405 -5.362 354 HB2 ASP 46 2HB ASP 46 -8.481 -8.663 -6.530 355 HB3 ASP 46 3HB ASP 46 -7.168 -8.395 -7.662 356 H TYR 47 H TYR 47 -4.735 -8.462 -7.171 357 HA TYR 47 HA TYR 47 -3.742 -10.561 -8.796 358 HB2 TYR 47 2HB TYR 47 -2.423 -7.938 -7.983 359 HB3 TYR 47 3HB TYR 47 -1.811 -9.011 -9.239 360 HD1 TYR 47 HD1 TYR 47 -3.085 -9.268 -11.402 361 HD2 TYR 47 HD2 TYR 47 -4.324 -6.496 -8.407 362 HE1 TYR 47 HE1 TYR 47 -4.498 -8.105 -13.054 363 HE2 TYR 47 HE2 TYR 47 -5.720 -5.323 -10.047 364 HH TYR 47 HH TYR 47 -5.946 -5.033 -12.430 365 H ILE 48 H ILE 48 -2.657 -9.254 -5.665 366 HA ILE 48 HA ILE 48 -0.257 -10.784 -5.441 367 HB ILE 48 HB ILE 48 -1.907 -9.477 -3.219 368 HG12 ILE 48 2HG1 ILE 48 0.544 -8.421 -4.711 369 HG13 ILE 48 3HG1 ILE 48 -1.101 -7.822 -4.878 370 HG21 ILE 48 1HG2 ILE 48 -0.422 -11.213 -2.292 371 HG22 ILE 48 2HG2 ILE 48 0.147 -9.610 -1.828 372 HG23 ILE 48 3HG2 ILE 48 0.962 -10.493 -3.121 373 HD11 ILE 48 3HD1 ILE 48 0.229 -6.342 -3.511 374 HD12 ILE 48 1HD1 ILE 48 0.592 -7.649 -2.384 375 HD13 ILE 48 2HD1 ILE 48 -1.065 -7.059 -2.553 376 H LYS 49 H LYS 49 -3.608 -11.282 -4.328 377 HA LYS 49 HA LYS 49 -2.958 -13.656 -2.801 378 HB2 LYS 49 2HB LYS 49 -4.800 -11.941 -2.250 379 HB3 LYS 49 3HB LYS 49 -5.764 -12.722 -3.500 380 HG2 LYS 49 2HG LYS 49 -5.737 -14.829 -2.288 381 HG3 LYS 49 3HG LYS 49 -4.580 -14.188 -1.115 382 HD2 LYS 49 2HD LYS 49 -6.339 -12.484 -0.442 383 HD3 LYS 49 3HD LYS 49 -7.482 -13.346 -1.476 384 HE2 LYS 49 2HE LYS 49 -7.163 -15.383 -0.117 385 HE3 LYS 49 3HE LYS 49 -6.009 -14.517 0.904 386 HZ1 LYS 49 3HZ LYS 49 -8.865 -13.781 0.571 387 HZ2 LYS 49 1HZ LYS 49 -7.756 -13.033 1.597 388 HZ3 LYS 49 2HZ LYS 49 -8.228 -14.631 1.884 389 H LYS 50 H LYS 50 -3.911 -12.957 -6.029 390 HA LYS 50 HA LYS 50 -4.860 -15.530 -6.828 391 HB2 LYS 50 2HB LYS 50 -5.065 -13.313 -8.103 392 HB3 LYS 50 3HB LYS 50 -3.381 -13.505 -8.572 393 HG2 LYS 50 2HG LYS 50 -4.005 -15.683 -9.679 394 HG3 LYS 50 3HG LYS 50 -5.696 -15.340 -9.303 395 HD2 LYS 50 2HD LYS 50 -3.855 -13.763 -11.130 396 HD3 LYS 50 3HD LYS 50 -5.284 -14.684 -11.592 397 HE2 LYS 50 2HE LYS 50 -5.266 -12.137 -9.928 398 HE3 LYS 50 3HE LYS 50 -5.748 -12.277 -11.616 399 HZ1 LYS 50 3HZ LYS 50 -7.104 -13.600 -9.337 400 HZ2 LYS 50 1HZ LYS 50 -7.572 -13.689 -10.954 401 HZ3 LYS 50 2HZ LYS 50 -7.646 -12.214 -10.135 402 H GLN 51 H GLN 51 -1.694 -13.967 -6.739 403 HA GLN 51 HA GLN 51 -0.270 -16.331 -7.714 404 HB2 GLN 51 2HB GLN 51 0.769 -13.601 -6.810 405 HB3 GLN 51 3HB GLN 51 1.727 -14.854 -7.587 406 HG2 GLN 51 2HG GLN 51 -0.551 -13.294 -8.847 407 HG3 GLN 51 3HG GLN 51 1.165 -13.112 -9.192 408 HE21 GLN 51 1HE2 GLN 51 -1.668 -15.060 -9.738 409 HE22 GLN 51 2HE2 GLN 51 -0.980 -16.059 -10.965 410 H GLY 52 H GLY 52 0.174 -17.915 -6.248 411 HA2 GLY 52 2HA GLY 52 0.386 -17.535 -3.410 412 HA3 GLY 52 3HA GLY 52 0.818 -18.985 -4.306 413 H CYS 53 H CYS 53 1.961 -15.708 -3.557 414 HA CYS 53 HA CYS 53 4.649 -16.325 -4.566 415 HB2 CYS 53 2HB CYS 53 3.321 -14.226 -5.243 416 HB3 CYS 53 3HB CYS 53 3.629 -13.625 -3.614 417 H LYS 54 H LYS 54 6.531 -15.623 -3.311 418 HA LYS 54 HA LYS 54 6.254 -16.428 -0.496 419 HB2 LYS 54 2HB LYS 54 8.784 -16.173 -2.173 420 HB3 LYS 54 3HB LYS 54 8.632 -16.957 -0.602 421 HG2 LYS 54 2HG LYS 54 6.999 -18.590 -1.696 422 HG3 LYS 54 3HG LYS 54 7.457 -17.876 -3.245 423 HD2 LYS 54 2HD LYS 54 8.732 -19.912 -2.902 424 HD3 LYS 54 3HD LYS 54 9.831 -18.534 -2.803 425 HE2 LYS 54 2HE LYS 54 9.935 -18.694 -0.400 426 HE3 LYS 54 3HE LYS 54 8.615 -19.869 -0.361 427 HZ1 LYS 54 3HZ LYS 54 10.050 -21.419 -1.577 428 HZ2 LYS 54 1HZ LYS 54 10.712 -20.981 -0.085 429 HZ3 LYS 54 2HZ LYS 54 11.316 -20.306 -1.508 430 H ARG 55 H ARG 55 6.519 -13.582 -2.261 431 HA ARG 55 HA ARG 55 7.252 -12.069 0.160 432 HB2 ARG 55 2HB ARG 55 9.254 -12.072 -1.338 433 HB3 ARG 55 3HB ARG 55 8.278 -11.439 -2.658 434 HG2 ARG 55 2HG ARG 55 9.564 -9.625 -1.712 435 HG3 ARG 55 3HG ARG 55 7.865 -9.363 -1.312 436 HD2 ARG 55 2HD ARG 55 9.280 -8.860 0.615 437 HD3 ARG 55 3HD ARG 55 8.276 -10.274 0.960 438 HE ARG 55 HE ARG 55 11.023 -10.645 -0.007 439 HH11 ARG 55 1HH1 ARG 55 8.770 -10.966 2.690 440 HH12 ARG 55 2HH1 ARG 55 9.843 -11.984 3.599 441 HH21 ARG 55 1HH2 ARG 55 12.400 -11.978 1.202 442 HH22 ARG 55 2HH2 ARG 55 11.885 -12.554 2.761 443 H SER 56 H SER 56 5.576 -10.801 0.650 444 HA SER 56 HA SER 56 4.118 -9.384 -1.500 445 HB2 SER 56 2HB SER 56 2.147 -9.363 0.079 446 HB3 SER 56 3HB SER 56 2.579 -10.983 -0.463 447 HG SER 56 HG SER 56 3.236 -9.793 2.039 448 H ARG 57 H ARG 57 4.974 -7.405 -1.477 449 HA ARG 57 HA ARG 57 5.168 -5.870 1.047 450 HB2 ARG 57 2HB ARG 57 7.470 -6.528 0.411 451 HB3 ARG 57 3HB ARG 57 7.226 -5.899 -1.215 452 HG2 ARG 57 2HG ARG 57 6.933 -3.594 -0.201 453 HG3 ARG 57 3HG ARG 57 7.362 -4.288 1.365 454 HD2 ARG 57 2HD ARG 57 9.120 -4.182 -1.111 455 HD3 ARG 57 3HD ARG 57 9.327 -3.231 0.364 456 HE ARG 57 HE ARG 57 9.478 -5.628 1.392 457 HH11 ARG 57 1HH1 ARG 57 11.023 -4.551 -1.568 458 HH12 ARG 57 2HH1 ARG 57 12.329 -5.682 -1.428 459 HH21 ARG 57 1HH2 ARG 57 11.126 -7.150 1.507 460 HH22 ARG 57 2HH2 ARG 57 12.387 -7.149 0.309 461 H THR 58 H THR 58 4.138 -3.937 0.853 462 HA THR 58 HA THR 58 3.840 -2.679 -1.777 463 HB THR 58 HB THR 58 1.442 -2.968 0.097 464 HG1 THR 58 HG1 THR 58 1.860 -4.988 -0.859 465 HG21 THR 58 3HG2 THR 58 1.676 -1.928 -2.757 466 HG22 THR 58 1HG2 THR 58 1.387 -0.944 -1.319 467 HG23 THR 58 2HG2 THR 58 0.172 -2.105 -1.853 468 H SER 59 H SER 59 3.588 -0.427 -1.639 469 HA SER 59 HA SER 59 4.250 0.883 0.894 470 HB2 SER 59 2HB SER 59 6.365 -0.081 -0.227 471 HB3 SER 59 3HB SER 59 6.090 1.064 -1.540 472 HG SER 59 HG SER 59 6.492 1.662 1.195 473 H ILE 60 H ILE 60 4.219 3.262 0.630 474 HA ILE 60 HA ILE 60 2.737 4.318 -1.692 475 HB ILE 60 HB ILE 60 1.731 4.525 1.200 476 HG12 ILE 60 2HG1 ILE 60 0.362 3.278 -1.229 477 HG13 ILE 60 3HG1 ILE 60 1.102 2.382 0.092 478 HG21 ILE 60 1HG2 ILE 60 1.452 6.668 0.034 479 HG22 ILE 60 2HG2 ILE 60 -0.112 5.902 0.314 480 HG23 ILE 60 3HG2 ILE 60 0.617 5.853 -1.291 481 HD11 ILE 60 3HD1 ILE 60 -1.303 2.445 0.318 482 HD12 ILE 60 1HD1 ILE 60 -1.291 4.209 0.331 483 HD13 ILE 60 2HD1 ILE 60 -0.537 3.307 1.650 484 H THR 61 H THR 61 3.510 6.348 -2.194 485 HA THR 61 HA THR 61 5.593 7.634 -0.802 486 HB THR 61 HB THR 61 3.658 8.949 -2.779 487 HG1 THR 61 HG1 THR 61 5.443 6.958 -3.164 488 HG21 THR 61 3HG2 THR 61 6.549 9.627 -2.096 489 HG22 THR 61 1HG2 THR 61 5.135 10.571 -1.610 490 HG23 THR 61 2HG2 THR 61 5.562 10.431 -3.315 491 H ALA 62 H ALA 62 5.607 9.243 0.711 492 HA ALA 62 HA ALA 62 3.126 10.522 1.659 493 HB1 ALA 62 3HB ALA 62 5.092 9.029 3.442 494 HB2 ALA 62 1HB ALA 62 3.451 8.514 3.049 495 HB3 ALA 62 2HB ALA 62 3.709 9.978 4.000 496 H ARG 63 H ARG 63 3.698 12.601 1.124 497 HA ARG 63 HA ARG 63 6.346 13.659 1.249 498 HB2 ARG 63 2HB ARG 63 3.660 15.106 1.148 499 HB3 ARG 63 3HB ARG 63 5.220 15.899 0.949 500 HG2 ARG 63 2HG ARG 63 4.119 13.735 -0.875 501 HG3 ARG 63 3HG ARG 63 4.097 15.466 -1.207 502 HD2 ARG 63 2HD ARG 63 6.618 13.857 -0.759 503 HD3 ARG 63 3HD ARG 63 5.946 14.238 -2.347 504 HE ARG 63 HE ARG 63 6.622 16.433 -0.503 505 HH11 ARG 63 1HH1 ARG 63 7.396 14.722 -3.505 506 HH12 ARG 63 2HH1 ARG 63 8.451 15.973 -4.074 507 HH21 ARG 63 1HH2 ARG 63 8.022 18.029 -1.260 508 HH22 ARG 63 2HH2 ARG 63 8.802 17.841 -2.798 509 H THR 64 H THR 64 3.736 13.458 3.533 510 HA THR 64 HA THR 64 5.556 14.352 5.695 511 HB THR 64 HB THR 64 3.633 15.276 6.932 512 HG1 THR 64 HG1 THR 64 2.048 14.947 4.588 513 HG21 THR 64 3HG2 THR 64 4.879 16.854 5.528 514 HG22 THR 64 1HG2 THR 64 3.166 17.277 5.532 515 HG23 THR 64 2HG2 THR 64 3.870 16.448 4.134 516 H LYS 65 H LYS 65 5.063 13.327 7.790 517 HA LYS 65 HA LYS 65 4.591 10.549 7.611 518 HB2 LYS 65 2HB LYS 65 5.994 11.600 9.397 519 HB3 LYS 65 3HB LYS 65 4.539 12.271 10.126 520 HG2 LYS 65 2HG LYS 65 3.710 9.799 10.282 521 HG3 LYS 65 3HG LYS 65 5.387 9.361 9.948 522 HD2 LYS 65 2HD LYS 65 4.998 9.334 12.362 523 HD3 LYS 65 3HD LYS 65 6.095 10.662 11.967 524 HE2 LYS 65 2HE LYS 65 4.216 12.265 12.100 525 HE3 LYS 65 3HE LYS 65 3.103 10.938 12.454 526 HZ1 LYS 65 3HZ LYS 65 4.258 10.510 14.497 527 HZ2 LYS 65 1HZ LYS 65 3.819 12.140 14.454 528 HZ3 LYS 65 2HZ LYS 65 5.422 11.688 14.163 529 H LYS 66 H LYS 66 2.423 13.271 8.300 530 HA LYS 66 HA LYS 66 0.222 11.870 9.375 531 HB2 LYS 66 2HB LYS 66 0.316 14.417 7.711 532 HB3 LYS 66 3HB LYS 66 -1.193 13.762 8.330 533 HG2 LYS 66 2HG LYS 66 -0.594 15.439 9.875 534 HG3 LYS 66 3HG LYS 66 -0.170 13.925 10.671 535 HD2 LYS 66 2HD LYS 66 1.580 15.561 11.062 536 HD3 LYS 66 3HD LYS 66 2.215 14.293 10.004 537 HE2 LYS 66 2HE LYS 66 2.939 16.485 9.209 538 HE3 LYS 66 3HE LYS 66 1.818 15.787 8.040 539 HZ1 LYS 66 3HZ LYS 66 1.225 17.899 10.047 540 HZ2 LYS 66 1HZ LYS 66 0.059 17.181 9.057 541 HZ3 LYS 66 2HZ LYS 66 1.307 18.084 8.373 542 H GLU 67 H GLU 67 1.278 12.341 6.041 543 HA GLU 67 HA GLU 67 -0.893 11.005 4.768 544 HB2 GLU 67 2HB GLU 67 1.959 11.523 3.847 545 HB3 GLU 67 3HB GLU 67 0.699 10.858 2.808 546 HG2 GLU 67 2HG GLU 67 -0.599 12.885 2.939 547 HG3 GLU 67 3HG GLU 67 0.440 13.542 4.202 548 H ALA 68 H ALA 68 2.298 9.944 5.920 549 HA ALA 68 HA ALA 68 2.193 7.251 5.117 550 HB1 ALA 68 3HB ALA 68 4.254 8.369 5.869 551 HB2 ALA 68 1HB ALA 68 3.982 6.876 6.770 552 HB3 ALA 68 2HB ALA 68 3.630 8.439 7.518 553 H GLU 69 H GLU 69 0.673 8.862 7.846 554 HA GLU 69 HA GLU 69 0.127 6.459 9.357 555 HB2 GLU 69 2HB GLU 69 -0.992 9.283 9.670 556 HB3 GLU 69 3HB GLU 69 -1.232 7.971 10.816 557 HG2 GLU 69 2HG GLU 69 1.422 9.265 10.128 558 HG3 GLU 69 3HG GLU 69 0.479 9.546 11.583 559 H LYS 70 H LYS 70 -1.880 8.757 7.458 560 HA LYS 70 HA LYS 70 -4.320 7.332 7.834 561 HB2 LYS 70 2HB LYS 70 -5.277 8.854 6.133 562 HB3 LYS 70 3HB LYS 70 -4.344 9.725 7.342 563 HG2 LYS 70 2HG LYS 70 -2.448 9.907 5.729 564 HG3 LYS 70 3HG LYS 70 -3.419 9.071 4.523 565 HD2 LYS 70 2HD LYS 70 -5.063 10.905 4.505 566 HD3 LYS 70 3HD LYS 70 -4.192 11.735 5.798 567 HE2 LYS 70 2HE LYS 70 -2.291 12.129 4.340 568 HE3 LYS 70 3HE LYS 70 -2.996 11.134 3.069 569 HZ1 LYS 70 3HZ LYS 70 -4.079 13.717 4.054 570 HZ2 LYS 70 1HZ LYS 70 -4.783 12.749 2.861 571 HZ3 LYS 70 2HZ LYS 70 -3.276 13.459 2.587 572 H PHE 71 H PHE 71 -1.765 7.105 5.463 573 HA PHE 71 HA PHE 71 -3.263 5.362 3.679 574 HB2 PHE 71 2HB PHE 71 -0.418 6.334 3.550 575 HB3 PHE 71 3HB PHE 71 -1.193 5.328 2.327 576 HD1 PHE 71 HD1 PHE 71 -3.911 7.267 2.957 577 HD2 PHE 71 HD2 PHE 71 0.039 7.688 1.578 578 HE1 PHE 71 HE1 PHE 71 -4.569 9.277 1.702 579 HE2 PHE 71 HE2 PHE 71 -0.574 9.720 0.326 580 HZ PHE 71 HZ PHE 71 -2.893 10.510 0.380 581 H ALA 72 H ALA 72 -1.089 5.012 6.363 582 HA ALA 72 HA ALA 72 -0.074 2.432 5.949 583 HB1 ALA 72 3HB ALA 72 -0.982 3.667 8.578 584 HB2 ALA 72 1HB ALA 72 0.621 3.821 7.859 585 HB3 ALA 72 2HB ALA 72 0.054 2.244 8.415 586 H ALA 73 H ALA 73 -3.178 3.553 7.250 587 HA ALA 73 HA ALA 73 -4.408 1.111 7.849 588 HB1 ALA 73 3HB ALA 73 -5.290 3.283 8.583 589 HB2 ALA 73 1HB ALA 73 -6.532 2.353 7.749 590 HB3 ALA 73 2HB ALA 73 -5.722 3.689 6.922 591 H ILE 74 H ILE 74 -4.169 2.851 4.770 592 HA ILE 74 HA ILE 74 -6.015 1.370 3.221 593 HB ILE 74 HB ILE 74 -3.506 2.895 2.281 594 HG12 ILE 74 2HG1 ILE 74 -6.425 3.813 2.462 595 HG13 ILE 74 3HG1 ILE 74 -5.111 4.342 3.507 596 HG21 ILE 74 1HG2 ILE 74 -4.299 1.317 0.559 597 HG22 ILE 74 2HG2 ILE 74 -4.607 2.978 0.060 598 HG23 ILE 74 3HG2 ILE 74 -5.929 1.976 0.667 599 HD11 ILE 74 3HD1 ILE 74 -5.634 6.013 1.822 600 HD12 ILE 74 1HD1 ILE 74 -5.291 4.861 0.532 601 HD13 ILE 74 2HD1 ILE 74 -3.989 5.407 1.605 602 H LEU 75 H LEU 75 -2.582 0.861 3.962 603 HA LEU 75 HA LEU 75 -2.206 -1.384 2.189 604 HB2 LEU 75 2HB LEU 75 -0.538 -0.360 4.518 605 HB3 LEU 75 3HB LEU 75 -0.035 -1.660 3.449 606 HG LEU 75 HG LEU 75 -0.531 1.218 2.585 607 HD11 LEU 75 1HD1 LEU 75 1.489 1.008 3.976 608 HD12 LEU 75 2HD1 LEU 75 1.893 1.391 2.305 609 HD13 LEU 75 3HD1 LEU 75 2.106 -0.257 2.910 610 HD21 LEU 75 3HD2 LEU 75 0.436 0.518 0.434 611 HD22 LEU 75 1HD2 LEU 75 -1.055 -0.347 0.798 612 HD23 LEU 75 2HD2 LEU 75 0.504 -1.152 1.001 613 H ILE 76 H ILE 76 -2.908 -0.957 5.623 614 HA ILE 76 HA ILE 76 -2.535 -3.601 6.523 615 HB ILE 76 HB ILE 76 -4.251 -1.336 7.641 616 HG12 ILE 76 2HG1 ILE 76 -1.533 -2.328 8.628 617 HG13 ILE 76 3HG1 ILE 76 -1.710 -1.021 7.468 618 HG21 ILE 76 1HG2 ILE 76 -3.489 -3.922 9.040 619 HG22 ILE 76 2HG2 ILE 76 -5.115 -3.453 8.539 620 HG23 ILE 76 3HG2 ILE 76 -4.283 -2.542 9.800 621 HD11 ILE 76 3HD1 ILE 76 -1.330 -0.182 9.701 622 HD12 ILE 76 1HD1 ILE 76 -2.774 -1.011 10.287 623 HD13 ILE 76 2HD1 ILE 76 -2.918 0.296 9.106 624 H LYS 77 H LYS 77 -5.344 -1.966 5.094 625 HA LYS 77 HA LYS 77 -7.326 -3.900 5.577 626 HB2 LYS 77 2HB LYS 77 -7.025 -1.547 3.787 627 HB3 LYS 77 3HB LYS 77 -8.092 -2.772 3.131 628 HG2 LYS 77 2HG LYS 77 -9.360 -1.068 4.286 629 HG3 LYS 77 3HG LYS 77 -9.536 -2.610 5.111 630 HD2 LYS 77 2HD LYS 77 -7.502 -0.586 6.089 631 HD3 LYS 77 3HD LYS 77 -9.201 -0.394 6.503 632 HE2 LYS 77 2HE LYS 77 -9.210 -2.579 7.610 633 HE3 LYS 77 3HE LYS 77 -7.534 -2.854 7.135 634 HZ1 LYS 77 3HZ LYS 77 -6.975 -0.825 8.443 635 HZ2 LYS 77 1HZ LYS 77 -7.540 -2.121 9.367 636 HZ3 LYS 77 2HZ LYS 77 -8.558 -0.822 9.028 637 H VAL 78 H VAL 78 -4.825 -3.768 3.137 638 HA VAL 78 HA VAL 78 -5.827 -5.878 1.480 639 HB VAL 78 HB VAL 78 -3.050 -4.627 1.708 640 HG11 VAL 78 1HG1 VAL 78 -2.548 -5.590 -0.511 641 HG12 VAL 78 2HG1 VAL 78 -4.076 -6.470 -0.478 642 HG13 VAL 78 3HG1 VAL 78 -2.820 -6.848 0.699 643 HG21 VAL 78 3HG2 VAL 78 -3.720 -3.382 -0.340 644 HG22 VAL 78 1HG2 VAL 78 -4.758 -3.019 1.040 645 HG23 VAL 78 2HG2 VAL 78 -5.326 -4.100 -0.236 646 H TYR 79 H TYR 79 -3.117 -5.700 3.838 647 HA TYR 79 HA TYR 79 -2.468 -8.485 3.613 648 HB2 TYR 79 2HB TYR 79 -1.550 -6.330 5.536 649 HB3 TYR 79 3HB TYR 79 -0.927 -7.978 5.595 650 HD1 TYR 79 HD2 TYR 79 -1.081 -4.888 3.548 651 HD2 TYR 79 HD1 TYR 79 0.650 -8.774 3.944 652 HE1 TYR 79 HE2 TYR 79 0.532 -4.341 1.782 653 HE2 TYR 79 HE1 TYR 79 2.262 -8.227 2.180 654 HH TYR 79 HH TYR 79 2.837 -5.142 1.144 655 H ALA 80 H ALA 80 -4.672 -6.761 5.639 656 HA ALA 80 HA ALA 80 -4.968 -8.639 7.749 657 HB1 ALA 80 3HB ALA 80 -7.095 -7.487 8.197 658 HB2 ALA 80 1HB ALA 80 -6.993 -6.674 6.627 659 HB3 ALA 80 2HB ALA 80 -5.805 -6.328 7.882 660 H GLU 81 H GLU 81 -6.319 -8.383 4.507 661 HA GLU 81 HA GLU 81 -8.073 -10.695 4.809 662 HB2 GLU 81 2HB GLU 81 -7.388 -9.062 2.330 663 HB3 GLU 81 3HB GLU 81 -8.696 -10.229 2.474 664 HG2 GLU 81 2HG GLU 81 -8.505 -7.662 4.079 665 HG3 GLU 81 3HG GLU 81 -9.437 -7.847 2.599 666 H LEU 82 H LEU 82 -4.809 -10.070 3.881 667 HA LEU 82 HA LEU 82 -4.463 -12.536 2.354 668 HB2 LEU 82 2HB LEU 82 -2.369 -10.515 3.271 669 HB3 LEU 82 3HB LEU 82 -2.088 -11.849 2.164 670 HG LEU 82 HG LEU 82 -3.776 -9.375 1.622 671 HD11 LEU 82 1HD1 LEU 82 -2.105 -8.855 -0.084 672 HD12 LEU 82 2HD1 LEU 82 -1.181 -10.297 0.349 673 HD13 LEU 82 3HD1 LEU 82 -1.358 -8.976 1.510 674 HD21 LEU 82 3HD2 LEU 82 -4.831 -11.305 0.572 675 HD22 LEU 82 1HD2 LEU 82 -3.306 -11.748 -0.199 676 HD23 LEU 82 2HD2 LEU 82 -4.122 -10.243 -0.640 677 H GLY 83 H GLY 83 -4.395 -11.628 5.667 678 HA2 GLY 83 2HA GLY 83 -3.566 -14.315 6.436 679 HA3 GLY 83 3HA GLY 83 -2.453 -13.041 6.924 680 H TYR 84 H TYR 84 -2.871 -13.647 9.130 681 HA TYR 84 HA TYR 84 -5.518 -12.982 10.248 682 HB2 TYR 84 2HB TYR 84 -3.073 -14.155 11.658 683 HB3 TYR 84 3HB TYR 84 -4.685 -13.989 12.346 684 HD1 TYR 84 HD2 TYR 84 -6.529 -15.500 11.586 685 HD2 TYR 84 HD1 TYR 84 -2.533 -15.983 10.154 686 HE1 TYR 84 HE2 TYR 84 -7.089 -17.751 10.768 687 HE2 TYR 84 HE1 TYR 84 -3.088 -18.228 9.345 688 HH TYR 84 HH TYR 84 -4.700 -19.982 9.740 689 H ASN 85 H ASN 85 -2.082 -12.355 10.998 690 HA ASN 85 HA ASN 85 -2.594 -9.519 11.508 691 HB2 ASN 85 2HB ASN 85 -2.952 -10.740 13.729 692 HB3 ASN 85 3HB ASN 85 -1.275 -11.266 13.648 693 HD21 ASN 85 1HD2 ASN 85 -2.443 -8.046 12.678 694 HD22 ASN 85 2HD2 ASN 85 -1.618 -7.197 13.930 695 H ASP 86 H ASP 86 -1.451 -10.615 9.403 696 HA ASP 86 HA ASP 86 1.433 -10.913 9.626 697 HB2 ASP 86 2HB ASP 86 -0.502 -11.082 7.260 698 HB3 ASP 86 3HB ASP 86 1.226 -11.421 7.155 699 H ILE 87 H ILE 87 0.217 -8.325 10.234 700 HA ILE 87 HA ILE 87 0.939 -6.497 8.107 701 HB ILE 87 HB ILE 87 0.175 -5.796 10.994 702 HG12 ILE 87 2HG1 ILE 87 -1.626 -7.214 10.050 703 HG13 ILE 87 3HG1 ILE 87 -2.177 -5.559 10.268 704 HG21 ILE 87 1HG2 ILE 87 -0.002 -4.158 8.428 705 HG22 ILE 87 2HG2 ILE 87 1.180 -3.946 9.722 706 HG23 ILE 87 3HG2 ILE 87 -0.526 -3.626 10.028 707 HD11 ILE 87 3HD1 ILE 87 -3.017 -6.511 8.214 708 HD12 ILE 87 1HD1 ILE 87 -1.377 -6.839 7.660 709 HD13 ILE 87 2HD1 ILE 87 -1.927 -5.172 7.857 710 H ASN 88 H ASN 88 3.082 -5.996 7.862 711 HA ASN 88 HA ASN 88 4.707 -5.463 10.309 712 HB2 ASN 88 2HB ASN 88 5.564 -7.432 9.082 713 HB3 ASN 88 3HB ASN 88 5.635 -6.507 7.585 714 HD21 ASN 88 1HD2 ASN 88 7.860 -6.891 7.368 715 HD22 ASN 88 2HD2 ASN 88 9.036 -6.124 8.370 716 H VAL 89 H VAL 89 4.605 -3.278 10.474 717 HA VAL 89 HA VAL 89 4.612 -1.627 8.013 718 HB VAL 89 HB VAL 89 2.637 -1.335 9.466 719 HG11 VAL 89 1HG1 VAL 89 2.777 -0.281 11.685 720 HG12 VAL 89 2HG1 VAL 89 4.539 -0.364 11.616 721 HG13 VAL 89 3HG1 VAL 89 3.588 -1.849 11.654 722 HG21 VAL 89 3HG2 VAL 89 4.425 1.124 9.378 723 HG22 VAL 89 1HG2 VAL 89 2.669 1.140 9.585 724 HG23 VAL 89 2HG2 VAL 89 3.376 0.545 8.081 725 H THR 90 H THR 90 6.114 -0.087 7.712 726 HA THR 90 HA THR 90 8.200 0.514 9.673 727 HB THR 90 HB THR 90 8.742 -0.685 6.902 728 HG1 THR 90 HG1 THR 90 8.541 -1.794 9.347 729 HG21 THR 90 3HG2 THR 90 10.386 1.109 7.378 730 HG22 THR 90 1HG2 THR 90 11.146 -0.483 7.425 731 HG23 THR 90 2HG2 THR 90 10.764 0.355 8.928 732 H TRP 91 H TRP 91 8.697 2.652 9.529 733 HA TRP 91 HA TRP 91 7.591 4.231 7.284 734 HB2 TRP 91 2HB TRP 91 8.406 5.080 10.100 735 HB3 TRP 91 3HB TRP 91 7.798 6.171 8.858 736 HD1 TRP 91 HD1 TRP 91 5.153 6.131 8.369 737 HE1 TRP 91 HE1 TRP 91 3.166 5.159 9.674 738 HE3 TRP 91 HE3 TRP 91 7.695 3.050 11.581 739 HZ2 TRP 91 HZ2 TRP 91 2.718 3.339 11.771 740 HZ3 TRP 91 HZ3 TRP 91 6.407 1.723 13.209 741 HH2 TRP 91 HH2 TRP 91 3.966 1.866 13.300 742 H ASP 92 H ASP 92 9.058 4.587 5.770 743 HA ASP 92 HA ASP 92 11.922 4.856 6.301 744 HB2 ASP 92 2HB ASP 92 10.352 5.046 3.687 745 HB3 ASP 92 3HB ASP 92 12.106 4.975 3.830 746 H GLY 93 H GLY 93 9.376 6.932 6.597 747 HA2 GLY 93 2HA GLY 93 9.539 9.213 7.127 748 HA3 GLY 93 3HA GLY 93 11.036 9.329 6.210 749 H ASP 94 H ASP 94 10.874 9.101 3.857 750 HA ASP 94 HA ASP 94 8.877 10.864 2.777 751 HB2 ASP 94 2HB ASP 94 10.092 10.670 0.658 752 HB3 ASP 94 3HB ASP 94 11.266 10.814 1.963 753 H THR 95 H THR 95 9.027 7.473 3.206 754 HA THR 95 HA THR 95 6.557 7.047 1.688 755 HB THR 95 HB THR 95 9.020 5.252 1.321 756 HG1 THR 95 HG1 THR 95 9.151 7.340 0.240 757 HG21 THR 95 3HG2 THR 95 7.745 4.185 -0.467 758 HG22 THR 95 1HG2 THR 95 6.365 5.232 -0.146 759 HG23 THR 95 2HG2 THR 95 6.875 4.049 1.063 760 H VAL 96 H VAL 96 5.252 5.421 2.623 761 HA VAL 96 HA VAL 96 6.232 4.055 5.073 762 HB VAL 96 HB VAL 96 4.191 5.426 5.401 763 HG11 VAL 96 1HG1 VAL 96 2.021 4.839 4.397 764 HG12 VAL 96 2HG1 VAL 96 2.808 3.612 3.402 765 HG13 VAL 96 3HG1 VAL 96 3.196 5.317 3.167 766 HG21 VAL 96 3HG2 VAL 96 2.788 3.734 6.541 767 HG22 VAL 96 1HG2 VAL 96 4.508 3.452 6.832 768 HG23 VAL 96 2HG2 VAL 96 3.631 2.446 5.676 769 H THR 97 H THR 97 6.122 1.786 5.193 770 HA THR 97 HA THR 97 5.406 0.293 2.735 771 HB THR 97 HB THR 97 7.998 -0.046 4.335 772 HG1 THR 97 HG1 THR 97 8.437 1.654 3.095 773 HG21 THR 97 3HG2 THR 97 7.080 -1.449 1.789 774 HG22 THR 97 1HG2 THR 97 7.234 -2.190 3.385 775 HG23 THR 97 2HG2 THR 97 8.669 -1.610 2.540 776 H VAL 98 H VAL 98 4.020 -1.314 3.273 777 HA VAL 98 HA VAL 98 4.383 -2.762 5.831 778 HB VAL 98 HB VAL 98 1.786 -2.440 4.245 779 HG11 VAL 98 1HG1 VAL 98 2.286 -4.034 6.794 780 HG12 VAL 98 2HG1 VAL 98 1.904 -4.704 5.205 781 HG13 VAL 98 3HG1 VAL 98 0.704 -3.739 6.066 782 HG21 VAL 98 3HG2 VAL 98 0.953 -1.237 6.241 783 HG22 VAL 98 1HG2 VAL 98 2.367 -0.430 5.556 784 HG23 VAL 98 2HG2 VAL 98 2.532 -1.411 7.013 785 H GLU 99 H GLU 99 5.132 -4.737 5.633 786 HA GLU 99 HA GLU 99 4.803 -6.285 3.126 787 HB2 GLU 99 2HB GLU 99 7.176 -5.575 3.728 788 HB3 GLU 99 3HB GLU 99 7.046 -6.533 5.199 789 HG2 GLU 99 2HG GLU 99 6.746 -8.577 3.834 790 HG3 GLU 99 3HG GLU 99 6.881 -7.625 2.360 791 H GLY 100 H GLY 100 4.783 -8.730 3.585 792 HA2 GLY 100 2HA GLY 100 2.897 -9.310 5.769 793 HA3 GLY 100 3HA GLY 100 3.234 -10.319 4.375 794 H GLN 101 H GLN 101 3.493 -10.390 7.598 795 HA GLN 101 HA GLN 101 5.906 -12.135 7.542 796 HB2 GLN 101 2HB GLN 101 4.648 -10.686 9.917 797 HB3 GLN 101 3HB GLN 101 5.935 -11.880 10.055 798 HG2 GLN 101 2HG GLN 101 7.420 -10.416 8.732 799 HG3 GLN 101 3HG GLN 101 6.136 -9.210 8.642 800 HE21 GLN 101 1HE2 GLN 101 8.815 -8.988 9.802 801 HE22 GLN 101 2HE2 GLN 101 8.581 -8.527 11.447 802 H LEU 102 H LEU 102 5.111 -14.150 7.145 803 HA LEU 102 HA LEU 102 2.681 -15.126 8.387 804 HB2 LEU 102 2HB LEU 102 3.438 -15.805 6.073 805 HB3 LEU 102 3HB LEU 102 4.785 -16.657 6.788 806 HG LEU 102 HG LEU 102 2.845 -18.111 6.030 807 HD11 LEU 102 1HD1 LEU 102 3.480 -18.410 8.976 808 HD12 LEU 102 2HD1 LEU 102 4.452 -19.018 7.636 809 HD13 LEU 102 3HD1 LEU 102 2.833 -19.659 7.904 810 HD21 LEU 102 3HD2 LEU 102 1.371 -16.894 8.379 811 HD22 LEU 102 1HD2 LEU 102 0.813 -18.239 7.377 812 HD23 LEU 102 2HD2 LEU 102 1.008 -16.637 6.670 813 H GLU 103 H GLU 103 2.866 -15.278 10.547 814 HA GLU 103 HA GLU 103 5.205 -16.268 11.928 815 HB2 GLU 103 2HB GLU 103 3.689 -14.609 12.967 816 HB3 GLU 103 3HB GLU 103 2.359 -15.761 12.908 817 HG2 GLU 103 2HG GLU 103 3.566 -17.243 14.472 818 HG3 GLU 103 3HG GLU 103 4.906 -16.096 14.542 819 H GLY 104 H GLY 104 5.697 -18.382 12.103 820 HA2 GLY 104 2HA GLY 104 4.109 -20.496 11.047 821 HA3 GLY 104 3HA GLY 104 5.622 -20.660 11.926 822 H VAL 105 H VAL 105 2.154 -20.495 12.200 823 HA VAL 105 HA VAL 105 1.881 -20.793 15.012 824 HB VAL 105 HB VAL 105 -0.470 -21.416 14.532 825 HG11 VAL 105 1HG1 VAL 105 0.120 -19.033 14.523 826 HG12 VAL 105 2HG1 VAL 105 -1.160 -19.356 13.354 827 HG13 VAL 105 3HG1 VAL 105 0.499 -19.108 12.800 828 HG21 VAL 105 3HG2 VAL 105 0.352 -21.474 11.599 829 HG22 VAL 105 1HG2 VAL 105 -1.306 -21.584 12.202 830 HG23 VAL 105 2HG2 VAL 105 -0.147 -22.860 12.571 831 H ASP 106 H ASP 106 1.211 -22.700 16.193 832 HA ASP 106 HA ASP 106 2.417 -25.193 15.160 833 HB2 ASP 106 2HB ASP 106 2.524 -25.971 17.471 834 HB3 ASP 106 3HB ASP 106 3.292 -24.399 17.332 Start of MODEL 12 1 H1 MET 1 1H MET 1 15.960 8.798 0.539 2 H2 MET 1 2H MET 1 16.685 9.252 1.990 3 H3 MET 1 3H MET 1 17.605 8.505 0.787 4 HA MET 1 HA MET 1 18.036 10.856 0.883 5 HB2 MET 1 2HB MET 1 18.144 9.599 -1.300 6 HB3 MET 1 3HB MET 1 16.481 10.072 -1.623 7 HG2 MET 1 2HG MET 1 18.733 12.064 -1.255 8 HG3 MET 1 3HG MET 1 18.244 11.421 -2.821 9 HE1 MET 1 3HE MET 1 16.930 15.148 -2.865 10 HE2 MET 1 1HE MET 1 17.952 13.965 -3.680 11 HE3 MET 1 2HE MET 1 18.401 14.570 -2.085 12 H HIS 2 H HIS 2 17.043 12.389 2.118 13 HA HIS 2 HA HIS 2 14.210 12.952 1.986 14 HB2 HIS 2 2HB HIS 2 14.570 14.559 3.736 15 HB3 HIS 2 3HB HIS 2 15.662 13.236 4.096 16 HD1 HIS 2 HD1 HIS 2 15.568 16.859 3.578 17 HD2 HIS 2 HD2 HIS 2 18.462 13.868 3.485 18 HE1 HIS 2 HE1 HIS 2 17.782 18.040 3.701 19 HE2 HIS 2 HE2 HIS 2 19.507 16.224 3.543 20 H HIS 3 H HIS 3 13.216 14.613 0.892 21 HA HIS 3 HA HIS 3 14.821 16.044 -1.151 22 HB2 HIS 3 2HB HIS 3 11.851 15.318 -1.058 23 HB3 HIS 3 3HB HIS 3 12.570 16.315 -2.319 24 HD1 HIS 3 HD1 HIS 3 13.578 15.113 -4.260 25 HD2 HIS 3 HD2 HIS 3 12.892 12.574 -1.044 26 HE1 HIS 3 HE1 HIS 3 14.099 12.810 -5.096 27 HE2 HIS 3 HE2 HIS 3 13.903 11.345 -3.070 28 H HIS 4 H HIS 4 13.408 18.123 -1.848 29 HA HIS 4 HA HIS 4 13.482 20.070 0.215 30 HB2 HIS 4 2HB HIS 4 12.067 20.138 -2.492 31 HB3 HIS 4 3HB HIS 4 12.233 21.533 -1.438 32 HD1 HIS 4 HD1 HIS 4 13.370 22.628 -3.541 33 HD2 HIS 4 HD2 HIS 4 15.514 19.509 -1.829 34 HE1 HIS 4 HE1 HIS 4 15.686 22.819 -4.473 35 HE2 HIS 4 HE2 HIS 4 16.905 20.815 -3.573 36 H HIS 5 H HIS 5 11.828 20.940 1.465 37 HA HIS 5 HA HIS 5 9.654 19.213 2.189 38 HB2 HIS 5 2HB HIS 5 10.207 22.080 3.068 39 HB3 HIS 5 3HB HIS 5 9.096 20.962 3.857 40 HD1 HIS 5 HD1 HIS 5 11.815 22.356 4.988 41 HD2 HIS 5 HD2 HIS 5 11.232 18.386 3.955 42 HE1 HIS 5 HE1 HIS 5 13.522 21.065 6.290 43 HE2 HIS 5 HE2 HIS 5 13.284 18.703 5.468 44 H HIS 6 H HIS 6 9.941 22.021 0.123 45 HA HIS 6 HA HIS 6 7.098 22.417 -0.268 46 HB2 HIS 6 2HB HIS 6 8.788 24.254 -0.505 47 HB3 HIS 6 3HB HIS 6 9.458 23.436 -1.911 48 HD1 HIS 6 HD1 HIS 6 6.402 25.348 -0.782 49 HD2 HIS 6 HD2 HIS 6 8.082 23.883 -4.286 50 HE1 HIS 6 HE1 HIS 6 5.057 26.349 -2.654 51 HE2 HIS 6 HE2 HIS 6 6.216 25.595 -4.746 52 H HIS 7 H HIS 7 9.577 20.386 -1.623 53 HA HIS 7 HA HIS 7 8.258 19.707 -4.095 54 HB2 HIS 7 2HB HIS 7 10.762 19.550 -3.684 55 HB3 HIS 7 3HB HIS 7 10.461 18.147 -2.669 56 HD1 HIS 7 HD1 HIS 7 10.249 19.291 -6.264 57 HD2 HIS 7 HD2 HIS 7 10.206 15.758 -4.075 58 HE1 HIS 7 HE1 HIS 7 10.370 17.443 -7.955 59 HE2 HIS 7 HE2 HIS 7 10.083 15.347 -6.615 60 H ARG 8 H ARG 8 7.692 18.849 -0.853 61 HA ARG 8 HA ARG 8 6.576 16.240 -1.176 62 HB2 ARG 8 2HB ARG 8 5.939 18.351 0.925 63 HB3 ARG 8 3HB ARG 8 5.491 16.647 1.020 64 HG2 ARG 8 2HG ARG 8 7.917 16.048 1.056 65 HG3 ARG 8 3HG ARG 8 8.320 17.768 1.041 66 HD2 ARG 8 2HD ARG 8 6.832 16.256 3.221 67 HD3 ARG 8 3HD ARG 8 8.459 16.935 3.320 68 HE ARG 8 HE ARG 8 6.897 19.088 2.758 69 HH11 ARG 8 1HH1 ARG 8 6.768 16.661 5.311 70 HH12 ARG 8 2HH1 ARG 8 6.049 17.747 6.457 71 HH21 ARG 8 1HH2 ARG 8 5.981 20.496 4.274 72 HH22 ARG 8 2HH2 ARG 8 5.600 19.924 5.868 73 H SER 9 H SER 9 5.457 19.235 -2.339 74 HA SER 9 HA SER 9 2.670 18.403 -2.566 75 HB2 SER 9 2HB SER 9 3.238 20.829 -2.350 76 HB3 SER 9 3HB SER 9 4.132 20.753 -3.869 77 HG SER 9 HG SER 9 1.384 20.065 -3.629 78 H GLY 10 H GLY 10 2.716 16.465 -3.714 79 HA2 GLY 10 2HA GLY 10 2.972 16.549 -6.568 80 HA3 GLY 10 3HA GLY 10 4.333 15.701 -5.837 81 H ASP 11 H ASP 11 2.886 14.283 -7.524 82 HA ASP 11 HA ASP 11 0.534 13.020 -6.562 83 HB2 ASP 11 2HB ASP 11 2.469 12.196 -8.777 84 HB3 ASP 11 3HB ASP 11 0.915 11.418 -8.485 85 H ILE 12 H ILE 12 0.235 10.817 -6.025 86 HA ILE 12 HA ILE 12 2.249 9.815 -4.150 87 HB ILE 12 HB ILE 12 -0.603 8.845 -4.666 88 HG12 ILE 12 2HG1 ILE 12 0.389 10.737 -2.485 89 HG13 ILE 12 3HG1 ILE 12 -0.483 11.242 -3.920 90 HG21 ILE 12 1HG2 ILE 12 1.251 8.299 -2.320 91 HG22 ILE 12 2HG2 ILE 12 0.786 7.139 -3.566 92 HG23 ILE 12 3HG2 ILE 12 -0.428 7.767 -2.453 93 HD11 ILE 12 3HD1 ILE 12 -1.944 11.167 -2.001 94 HD12 ILE 12 1HD1 ILE 12 -1.568 9.464 -1.733 95 HD13 ILE 12 2HD1 ILE 12 -2.438 9.963 -3.188 96 H GLN 13 H GLN 13 3.780 8.566 -5.108 97 HA GLN 13 HA GLN 13 3.239 6.792 -7.339 98 HB2 GLN 13 2HB GLN 13 5.380 8.010 -7.189 99 HB3 GLN 13 3HB GLN 13 5.755 7.210 -5.670 100 HG2 GLN 13 2HG GLN 13 7.019 6.210 -7.505 101 HG3 GLN 13 3HG GLN 13 5.886 5.038 -6.832 102 HE21 GLN 13 1HE2 GLN 13 5.865 3.787 -8.717 103 HE22 GLN 13 2HE2 GLN 13 5.112 4.324 -10.179 104 H VAL 14 H VAL 14 3.194 4.553 -7.276 105 HA VAL 14 HA VAL 14 3.087 3.188 -4.643 106 HB VAL 14 HB VAL 14 1.199 2.668 -6.996 107 HG11 VAL 14 1HG1 VAL 14 1.205 1.505 -4.184 108 HG12 VAL 14 2HG1 VAL 14 1.625 0.650 -5.673 109 HG13 VAL 14 3HG1 VAL 14 -0.030 1.209 -5.415 110 HG21 VAL 14 3HG2 VAL 14 -0.595 3.648 -5.611 111 HG22 VAL 14 1HG2 VAL 14 0.663 4.832 -5.974 112 HG23 VAL 14 2HG2 VAL 14 0.591 4.082 -4.376 113 H GLN 15 H GLN 15 4.457 1.479 -4.601 114 HA GLN 15 HA GLN 15 4.872 -0.133 -7.035 115 HB2 GLN 15 2HB GLN 15 6.989 1.169 -5.327 116 HB3 GLN 15 3HB GLN 15 7.333 -0.436 -5.958 117 HG2 GLN 15 2HG GLN 15 6.462 1.840 -7.758 118 HG3 GLN 15 3HG GLN 15 8.148 1.557 -7.328 119 HE21 GLN 15 1HE2 GLN 15 8.618 1.222 -9.541 120 HE22 GLN 15 2HE2 GLN 15 8.209 -0.255 -10.339 121 H ASN 16 H ASN 16 4.040 -2.082 -6.604 122 HA ASN 16 HA ASN 16 4.584 -3.349 -3.976 123 HB2 ASN 16 2HB ASN 16 2.212 -3.430 -4.686 124 HB3 ASN 16 3HB ASN 16 2.670 -4.187 -6.205 125 HD21 ASN 16 1HD2 ASN 16 2.115 -4.700 -2.828 126 HD22 ASN 16 2HD2 ASN 16 2.254 -6.418 -2.847 127 H ASN 17 H ASN 17 6.477 -4.378 -4.014 128 HA ASN 17 HA ASN 17 7.375 -5.838 -6.421 129 HB2 ASN 17 2HB ASN 17 8.972 -4.143 -5.512 130 HB3 ASN 17 3HB ASN 17 8.982 -4.985 -3.965 131 HD21 ASN 17 1HD2 ASN 17 9.034 -6.461 -7.216 132 HD22 ASN 17 2HD2 ASN 17 10.598 -7.170 -7.047 133 H ASN 18 H ASN 18 7.234 -7.977 -6.372 134 HA ASN 18 HA ASN 18 7.063 -9.480 -3.847 135 HB2 ASN 18 2HB ASN 18 4.747 -8.946 -4.765 136 HB3 ASN 18 3HB ASN 18 5.158 -9.835 -6.225 137 HD21 ASN 18 1HD2 ASN 18 3.015 -10.316 -4.354 138 HD22 ASN 18 2HD2 ASN 18 3.226 -11.916 -3.747 139 H THR 19 H THR 19 8.664 -10.967 -3.966 140 HA THR 19 HA THR 19 9.823 -11.708 -6.566 141 HB THR 19 HB THR 19 10.825 -12.238 -3.719 142 HG1 THR 19 HG1 THR 19 10.790 -9.981 -5.093 143 HG21 THR 19 3HG2 THR 19 12.285 -12.519 -6.381 144 HG22 THR 19 1HG2 THR 19 11.757 -13.860 -5.352 145 HG23 THR 19 2HG2 THR 19 13.005 -12.749 -4.788 146 H CYS 20 H CYS 20 8.927 -13.469 -7.491 147 HA CYS 20 HA CYS 20 8.451 -15.979 -6.240 148 HB2 CYS 20 2HB CYS 20 6.545 -14.568 -5.254 149 HB3 CYS 20 3HB CYS 20 5.904 -14.406 -6.882 150 H ASN 21 H ASN 21 9.203 -17.076 -7.988 151 HA ASN 21 HA ASN 21 8.842 -16.373 -10.724 152 HB2 ASN 21 2HB ASN 21 9.638 -19.025 -9.438 153 HB3 ASN 21 3HB ASN 21 9.710 -18.712 -11.169 154 HD21 ASN 21 1HD2 ASN 21 11.338 -17.419 -11.978 155 HD22 ASN 21 2HD2 ASN 21 12.686 -16.888 -11.036 156 H GLY 22 H GLY 22 7.642 -17.638 -12.336 157 HA2 GLY 22 2HA GLY 22 5.671 -18.899 -12.944 158 HA3 GLY 22 3HA GLY 22 4.989 -18.570 -11.351 159 H LYS 23 H LYS 23 5.643 -15.875 -11.128 160 HA LYS 23 HA LYS 23 5.151 -14.322 -13.460 161 HB2 LYS 23 2HB LYS 23 2.785 -15.026 -12.868 162 HB3 LYS 23 3HB LYS 23 2.967 -14.207 -11.323 163 HG2 LYS 23 2HG LYS 23 1.710 -12.831 -12.912 164 HG3 LYS 23 3HG LYS 23 3.223 -12.053 -12.457 165 HD2 LYS 23 2HD LYS 23 2.941 -11.702 -14.801 166 HD3 LYS 23 3HD LYS 23 4.218 -12.904 -14.634 167 HE2 LYS 23 2HE LYS 23 1.318 -13.585 -15.244 168 HE3 LYS 23 3HE LYS 23 2.550 -13.348 -16.478 169 HZ1 LYS 23 3HZ LYS 23 2.440 -15.498 -14.437 170 HZ2 LYS 23 1HZ LYS 23 3.795 -15.203 -15.403 171 HZ3 LYS 23 2HZ LYS 23 2.333 -15.647 -16.117 172 H THR 24 H THR 24 6.964 -13.185 -12.983 173 HA THR 24 HA THR 24 7.330 -11.877 -10.366 174 HB THR 24 HB THR 24 9.627 -11.294 -11.348 175 HG1 THR 24 HG1 THR 24 9.972 -11.722 -13.384 176 HG21 THR 24 3HG2 THR 24 10.573 -13.573 -11.139 177 HG22 THR 24 1HG2 THR 24 8.950 -14.262 -11.249 178 HG23 THR 24 2HG2 THR 24 9.393 -13.261 -9.863 179 H PHE 25 H PHE 25 5.300 -10.619 -11.127 180 HA PHE 25 HA PHE 25 5.857 -8.480 -13.091 181 HB2 PHE 25 2HB PHE 25 3.840 -9.941 -13.390 182 HB3 PHE 25 3HB PHE 25 3.217 -9.377 -11.850 183 HD1 PHE 25 HD2 PHE 25 3.886 -8.442 -15.370 184 HD2 PHE 25 HD1 PHE 25 2.172 -7.170 -11.659 185 HE1 PHE 25 HE2 PHE 25 2.727 -6.597 -16.522 186 HE2 PHE 25 HE1 PHE 25 1.019 -5.340 -12.823 187 HZ PHE 25 HZ PHE 25 1.296 -5.049 -15.249 188 H ASP 26 H ASP 26 5.920 -6.357 -12.518 189 HA ASP 26 HA ASP 26 5.866 -5.615 -9.668 190 HB2 ASP 26 2HB ASP 26 6.916 -4.070 -12.089 191 HB3 ASP 26 3HB ASP 26 7.016 -3.521 -10.416 192 H TYR 27 H TYR 27 4.159 -4.568 -8.862 193 HA TYR 27 HA TYR 27 2.092 -3.512 -10.651 194 HB2 TYR 27 2HB TYR 27 2.093 -3.947 -7.642 195 HB3 TYR 27 3HB TYR 27 0.710 -3.398 -8.582 196 HD1 TYR 27 HD1 TYR 27 -0.084 -4.959 -10.512 197 HD2 TYR 27 HD2 TYR 27 2.397 -6.302 -7.298 198 HE1 TYR 27 HE1 TYR 27 -0.775 -7.273 -10.943 199 HE2 TYR 27 HE2 TYR 27 1.697 -8.623 -7.732 200 HH TYR 27 HH TYR 27 -0.121 -9.831 -8.775 201 H THR 28 H THR 28 3.340 -1.755 -11.383 202 HA THR 28 HA THR 28 3.998 0.437 -9.547 203 HB THR 28 HB THR 28 4.380 0.355 -12.580 204 HG1 THR 28 HG1 THR 28 5.760 -0.915 -10.543 205 HG21 THR 28 3HG2 THR 28 6.132 2.045 -12.128 206 HG22 THR 28 1HG2 THR 28 5.760 1.980 -10.403 207 HG23 THR 28 2HG2 THR 28 4.562 2.604 -11.542 208 H TYR 29 H TYR 29 2.478 1.959 -9.152 209 HA TYR 29 HA TYR 29 0.609 2.822 -11.288 210 HB2 TYR 29 2HB TYR 29 -0.120 2.515 -8.329 211 HB3 TYR 29 3HB TYR 29 -1.186 3.095 -9.601 212 HD1 TYR 29 HD1 TYR 29 -1.753 1.426 -11.530 213 HD2 TYR 29 HD2 TYR 29 -0.087 0.198 -7.788 214 HE1 TYR 29 HE1 TYR 29 -2.537 -0.875 -11.933 215 HE2 TYR 29 HE2 TYR 29 -0.869 -2.097 -8.194 216 HH TYR 29 HH TYR 29 -2.640 -3.238 -9.501 217 H THR 30 H THR 30 0.036 5.069 -11.141 218 HA THR 30 HA THR 30 1.300 6.687 -9.013 219 HB THR 30 HB THR 30 1.008 7.639 -11.906 220 HG1 THR 30 HG1 THR 30 3.135 6.355 -10.573 221 HG21 THR 30 3HG2 THR 30 2.491 9.475 -11.165 222 HG22 THR 30 1HG2 THR 30 2.510 8.814 -9.530 223 HG23 THR 30 2HG2 THR 30 1.006 9.444 -10.212 224 H VAL 31 H VAL 31 -0.426 7.210 -7.814 225 HA VAL 31 HA VAL 31 -3.006 7.882 -9.102 226 HB VAL 31 HB VAL 31 -4.003 7.569 -6.804 227 HG11 VAL 31 1HG1 VAL 31 -3.905 5.095 -6.820 228 HG12 VAL 31 2HG1 VAL 31 -2.508 5.150 -7.902 229 HG13 VAL 31 3HG1 VAL 31 -4.076 5.742 -8.454 230 HG21 VAL 31 3HG2 VAL 31 -1.228 6.547 -6.079 231 HG22 VAL 31 1HG2 VAL 31 -2.670 6.395 -5.071 232 HG23 VAL 31 2HG2 VAL 31 -2.014 7.989 -5.433 233 H THR 32 H THR 32 -3.818 9.862 -8.950 234 HA THR 32 HA THR 32 -2.120 12.015 -7.956 235 HB THR 32 HB THR 32 -3.103 12.135 -10.238 236 HG1 THR 32 HG1 THR 32 -2.612 14.069 -9.092 237 HG21 THR 32 3HG2 THR 32 -5.283 11.036 -9.823 238 HG22 THR 32 1HG2 THR 32 -5.496 12.619 -10.577 239 HG23 THR 32 2HG2 THR 32 -5.796 12.416 -8.850 240 H THR 33 H THR 33 -4.666 10.191 -6.703 241 HA THR 33 HA THR 33 -5.324 12.201 -4.658 242 HB THR 33 HB THR 33 -7.444 10.643 -6.224 243 HG1 THR 33 HG1 THR 33 -7.970 12.755 -7.053 244 HG21 THR 33 3HG2 THR 33 -8.148 11.125 -3.887 245 HG22 THR 33 1HG2 THR 33 -9.089 12.058 -5.054 246 HG23 THR 33 2HG2 THR 33 -7.801 12.840 -4.136 247 H GLU 34 H GLU 34 -6.009 11.293 -2.690 248 HA GLU 34 HA GLU 34 -4.910 8.765 -1.962 249 HB2 GLU 34 2HB GLU 34 -6.826 10.510 -0.340 250 HB3 GLU 34 3HB GLU 34 -5.829 9.207 0.293 251 HG2 GLU 34 2HG GLU 34 -4.724 11.188 0.930 252 HG3 GLU 34 3HG GLU 34 -3.797 10.561 -0.429 253 H SER 35 H SER 35 -8.097 9.867 -2.837 254 HA SER 35 HA SER 35 -9.694 7.679 -2.064 255 HB2 SER 35 2HB SER 35 -10.137 9.488 -4.486 256 HB3 SER 35 3HB SER 35 -11.365 8.599 -3.573 257 HG SER 35 HG SER 35 -10.643 9.918 -1.735 258 H GLU 36 H GLU 36 -8.037 8.446 -5.141 259 HA GLU 36 HA GLU 36 -8.710 6.076 -6.537 260 HB2 GLU 36 2HB GLU 36 -6.319 7.926 -6.989 261 HB3 GLU 36 3HB GLU 36 -6.913 6.720 -8.131 262 HG2 GLU 36 2HG GLU 36 -8.333 9.245 -7.232 263 HG3 GLU 36 3HG GLU 36 -7.643 8.923 -8.821 264 H LEU 37 H LEU 37 -6.148 6.885 -4.293 265 HA LEU 37 HA LEU 37 -4.446 4.657 -4.702 266 HB2 LEU 37 2HB LEU 37 -3.727 6.713 -3.551 267 HB3 LEU 37 3HB LEU 37 -4.855 6.400 -2.245 268 HG LEU 37 HG LEU 37 -3.561 4.422 -1.540 269 HD11 LEU 37 1HD1 LEU 37 -1.689 5.043 -3.838 270 HD12 LEU 37 2HD1 LEU 37 -2.749 3.638 -3.692 271 HD13 LEU 37 3HD1 LEU 37 -1.411 3.846 -2.569 272 HD21 LEU 37 3HD2 LEU 37 -1.789 6.847 -1.923 273 HD22 LEU 37 1HD2 LEU 37 -1.518 5.531 -0.775 274 HD23 LEU 37 2HD2 LEU 37 -2.924 6.577 -0.598 275 H GLN 38 H GLN 38 -7.237 5.225 -2.579 276 HA GLN 38 HA GLN 38 -7.104 2.797 -1.102 277 HB2 GLN 38 2HB GLN 38 -8.479 4.720 -0.361 278 HB3 GLN 38 3HB GLN 38 -9.509 4.557 -1.780 279 HG2 GLN 38 2HG GLN 38 -10.163 2.263 -0.948 280 HG3 GLN 38 3HG GLN 38 -9.258 2.595 0.525 281 HE21 GLN 38 1HE2 GLN 38 -10.101 5.410 0.694 282 HE22 GLN 38 2HE2 GLN 38 -11.768 5.384 1.139 283 H LYS 39 H LYS 39 -8.953 3.791 -3.971 284 HA LYS 39 HA LYS 39 -10.401 1.462 -4.480 285 HB2 LYS 39 2HB LYS 39 -9.412 3.625 -6.381 286 HB3 LYS 39 3HB LYS 39 -10.620 2.417 -6.811 287 HG2 LYS 39 2HG LYS 39 -12.227 3.319 -5.298 288 HG3 LYS 39 3HG LYS 39 -11.011 4.293 -4.464 289 HD2 LYS 39 2HD LYS 39 -12.418 5.700 -5.916 290 HD3 LYS 39 3HD LYS 39 -10.733 5.716 -6.439 291 HE2 LYS 39 2HE LYS 39 -11.307 4.080 -8.236 292 HE3 LYS 39 3HE LYS 39 -12.994 4.131 -7.720 293 HZ1 LYS 39 3HZ LYS 39 -12.620 5.587 -9.602 294 HZ2 LYS 39 1HZ LYS 39 -11.428 6.440 -8.760 295 HZ3 LYS 39 2HZ LYS 39 -13.036 6.499 -8.247 296 H VAL 40 H VAL 40 -7.197 2.456 -5.764 297 HA VAL 40 HA VAL 40 -6.981 0.254 -7.553 298 HB VAL 40 HB VAL 40 -5.724 2.427 -7.863 299 HG11 VAL 40 1HG1 VAL 40 -4.882 2.787 -5.593 300 HG12 VAL 40 2HG1 VAL 40 -3.553 2.763 -6.753 301 HG13 VAL 40 3HG1 VAL 40 -3.852 1.358 -5.726 302 HG21 VAL 40 3HG2 VAL 40 -5.158 0.434 -9.182 303 HG22 VAL 40 1HG2 VAL 40 -4.022 -0.091 -7.935 304 HG23 VAL 40 2HG2 VAL 40 -3.711 1.388 -8.848 305 H LEU 41 H LEU 41 -5.895 0.793 -4.191 306 HA LEU 41 HA LEU 41 -4.473 -1.696 -3.972 307 HB2 LEU 41 2HB LEU 41 -5.197 0.515 -2.112 308 HB3 LEU 41 3HB LEU 41 -5.054 -1.053 -1.349 309 HG LEU 41 HG LEU 41 -2.952 0.114 -1.137 310 HD11 LEU 41 1HD1 LEU 41 -2.694 -2.173 -3.103 311 HD12 LEU 41 2HD1 LEU 41 -2.713 -2.251 -1.339 312 HD13 LEU 41 3HD1 LEU 41 -1.370 -1.477 -2.161 313 HD21 LEU 41 3HD2 LEU 41 -2.837 0.365 -4.157 314 HD22 LEU 41 1HD2 LEU 41 -1.564 0.828 -3.019 315 HD23 LEU 41 2HD2 LEU 41 -3.109 1.671 -2.999 316 H ASN 42 H ASN 42 -7.820 -0.741 -3.514 317 HA ASN 42 HA ASN 42 -8.766 -2.924 -2.011 318 HB2 ASN 42 2HB ASN 42 -10.218 -1.221 -4.088 319 HB3 ASN 42 3HB ASN 42 -11.030 -2.454 -3.128 320 HD21 ASN 42 1HD2 ASN 42 -11.591 0.368 -3.189 321 HD22 ASN 42 2HD2 ASN 42 -11.367 0.960 -1.582 322 H GLU 43 H GLU 43 -8.562 -2.476 -5.570 323 HA GLU 43 HA GLU 43 -9.259 -5.238 -6.095 324 HB2 GLU 43 2HB GLU 43 -8.862 -4.743 -8.457 325 HB3 GLU 43 3HB GLU 43 -9.898 -3.522 -7.727 326 HG2 GLU 43 2HG GLU 43 -8.114 -1.908 -7.700 327 HG3 GLU 43 3HG GLU 43 -6.923 -3.124 -8.161 328 H LEU 44 H LEU 44 -6.259 -3.407 -5.725 329 HA LEU 44 HA LEU 44 -4.479 -5.134 -7.078 330 HB2 LEU 44 2HB LEU 44 -3.885 -2.815 -6.417 331 HB3 LEU 44 3HB LEU 44 -3.865 -3.297 -4.732 332 HG LEU 44 HG LEU 44 -1.906 -4.735 -5.129 333 HD11 LEU 44 1HD1 LEU 44 -2.063 -3.856 -8.021 334 HD12 LEU 44 2HD1 LEU 44 -2.393 -5.473 -7.393 335 HD13 LEU 44 3HD1 LEU 44 -0.768 -4.810 -7.287 336 HD21 LEU 44 3HD2 LEU 44 -1.482 -2.393 -4.564 337 HD22 LEU 44 1HD2 LEU 44 -1.484 -1.960 -6.275 338 HD23 LEU 44 2HD2 LEU 44 -0.227 -3.021 -5.628 339 H LYS 45 H LYS 45 -5.836 -5.207 -3.888 340 HA LYS 45 HA LYS 45 -4.428 -7.014 -2.434 341 HB2 LYS 45 2HB LYS 45 -6.456 -5.866 -1.684 342 HB3 LYS 45 3HB LYS 45 -7.438 -6.793 -2.815 343 HG2 LYS 45 2HG LYS 45 -6.816 -8.869 -1.544 344 HG3 LYS 45 3HG LYS 45 -5.976 -7.842 -0.377 345 HD2 LYS 45 2HD LYS 45 -8.198 -8.422 0.431 346 HD3 LYS 45 3HD LYS 45 -8.083 -6.689 0.149 347 HE2 LYS 45 2HE LYS 45 -9.320 -6.959 -1.972 348 HE3 LYS 45 3HE LYS 45 -9.409 -8.705 -1.707 349 HZ1 LYS 45 3HZ LYS 45 -10.708 -8.307 0.285 350 HZ2 LYS 45 1HZ LYS 45 -11.443 -7.559 -1.044 351 HZ3 LYS 45 2HZ LYS 45 -10.582 -6.636 0.077 352 H ASP 46 H ASP 46 -6.797 -7.782 -4.961 353 HA ASP 46 HA ASP 46 -6.746 -10.608 -4.818 354 HB2 ASP 46 2HB ASP 46 -8.607 -9.334 -5.836 355 HB3 ASP 46 3HB ASP 46 -7.538 -8.732 -7.097 356 H TYR 47 H TYR 47 -4.975 -8.264 -6.826 357 HA TYR 47 HA TYR 47 -3.631 -10.083 -8.549 358 HB2 TYR 47 2HB TYR 47 -2.916 -7.248 -7.704 359 HB3 TYR 47 3HB TYR 47 -2.092 -8.125 -8.978 360 HD1 TYR 47 HD2 TYR 47 -5.237 -6.444 -8.038 361 HD2 TYR 47 HD1 TYR 47 -3.094 -8.335 -11.207 362 HE1 TYR 47 HE2 TYR 47 -6.798 -5.470 -9.660 363 HE2 TYR 47 HE1 TYR 47 -4.663 -7.356 -12.838 364 HH TYR 47 HH TYR 47 -6.859 -4.870 -12.020 365 H ILE 48 H ILE 48 -2.658 -8.481 -5.550 366 HA ILE 48 HA ILE 48 0.003 -9.327 -5.310 367 HB ILE 48 HB ILE 48 -2.075 -8.532 -3.218 368 HG12 ILE 48 2HG1 ILE 48 0.293 -6.952 -4.332 369 HG13 ILE 48 3HG1 ILE 48 -1.384 -6.743 -4.824 370 HG21 ILE 48 1HG2 ILE 48 0.889 -8.935 -2.721 371 HG22 ILE 48 2HG2 ILE 48 -0.419 -9.930 -2.079 372 HG23 ILE 48 3HG2 ILE 48 -0.262 -8.250 -1.571 373 HD11 ILE 48 3HD1 ILE 48 -0.740 -4.998 -3.296 374 HD12 ILE 48 1HD1 ILE 48 -0.246 -6.179 -2.083 375 HD13 ILE 48 2HD1 ILE 48 -1.948 -6.031 -2.532 376 H LYS 49 H LYS 49 -3.060 -10.768 -4.311 377 HA LYS 49 HA LYS 49 -2.049 -12.923 -2.774 378 HB2 LYS 49 2HB LYS 49 -4.372 -11.929 -2.670 379 HB3 LYS 49 3HB LYS 49 -4.739 -12.733 -4.192 380 HG2 LYS 49 2HG LYS 49 -4.411 -14.925 -3.143 381 HG3 LYS 49 3HG LYS 49 -3.934 -14.149 -1.627 382 HD2 LYS 49 2HD LYS 49 -6.194 -13.135 -1.445 383 HD3 LYS 49 3HD LYS 49 -6.670 -13.933 -2.948 384 HE2 LYS 49 2HE LYS 49 -5.817 -15.363 -0.406 385 HE3 LYS 49 3HE LYS 49 -7.484 -15.130 -0.936 386 HZ1 LYS 49 3HZ LYS 49 -6.730 -17.306 -1.553 387 HZ2 LYS 49 1HZ LYS 49 -5.390 -16.675 -2.363 388 HZ3 LYS 49 2HZ LYS 49 -6.947 -16.392 -2.953 389 H LYS 50 H LYS 50 -2.666 -12.531 -6.226 390 HA LYS 50 HA LYS 50 -2.548 -15.219 -7.097 391 HB2 LYS 50 2HB LYS 50 -1.532 -12.754 -8.587 392 HB3 LYS 50 3HB LYS 50 -1.921 -14.308 -9.315 393 HG2 LYS 50 2HG LYS 50 -4.289 -14.006 -8.766 394 HG3 LYS 50 3HG LYS 50 -3.918 -12.479 -7.952 395 HD2 LYS 50 2HD LYS 50 -3.026 -11.603 -10.152 396 HD3 LYS 50 3HD LYS 50 -3.592 -13.092 -10.920 397 HE2 LYS 50 2HE LYS 50 -5.316 -11.019 -9.522 398 HE3 LYS 50 3HE LYS 50 -5.198 -11.279 -11.262 399 HZ1 LYS 50 3HZ LYS 50 -7.169 -12.297 -10.316 400 HZ2 LYS 50 1HZ LYS 50 -6.224 -13.255 -9.301 401 HZ3 LYS 50 2HZ LYS 50 -6.149 -13.467 -10.976 402 H GLN 51 H GLN 51 -0.007 -12.820 -6.536 403 HA GLN 51 HA GLN 51 2.141 -14.731 -7.203 404 HB2 GLN 51 2HB GLN 51 2.136 -11.692 -6.895 405 HB3 GLN 51 3HB GLN 51 3.578 -12.650 -7.235 406 HG2 GLN 51 2HG GLN 51 2.654 -13.370 -9.370 407 HG3 GLN 51 3HG GLN 51 1.128 -12.564 -9.019 408 HE21 GLN 51 1HE2 GLN 51 4.277 -11.080 -8.340 409 HE22 GLN 51 2HE2 GLN 51 4.139 -9.853 -9.544 410 H GLY 52 H GLY 52 0.471 -13.935 -4.504 411 HA2 GLY 52 2HA GLY 52 2.634 -13.327 -2.640 412 HA3 GLY 52 3HA GLY 52 0.924 -13.500 -2.267 413 H CYS 53 H CYS 53 3.482 -15.603 -3.592 414 HA CYS 53 HA CYS 53 2.484 -17.976 -2.333 415 HB2 CYS 53 2HB CYS 53 4.569 -19.007 -3.256 416 HB3 CYS 53 3HB CYS 53 3.653 -18.112 -4.462 417 H LYS 54 H LYS 54 5.222 -15.777 -1.744 418 HA LYS 54 HA LYS 54 5.690 -17.035 0.902 419 HB2 LYS 54 2HB LYS 54 7.611 -17.171 -0.714 420 HB3 LYS 54 3HB LYS 54 7.635 -15.419 -0.809 421 HG2 LYS 54 2HG LYS 54 9.398 -15.931 0.648 422 HG3 LYS 54 3HG LYS 54 8.105 -15.441 1.736 423 HD2 LYS 54 2HD LYS 54 8.657 -18.363 1.097 424 HD3 LYS 54 3HD LYS 54 9.532 -17.506 2.362 425 HE2 LYS 54 2HE LYS 54 6.520 -17.911 2.283 426 HE3 LYS 54 3HE LYS 54 7.660 -18.824 3.272 427 HZ1 LYS 54 3HZ LYS 54 6.619 -17.114 4.574 428 HZ2 LYS 54 1HZ LYS 54 7.105 -15.909 3.497 429 HZ3 LYS 54 2HZ LYS 54 8.255 -16.754 4.400 430 H ARG 55 H ARG 55 6.398 -13.831 -0.579 431 HA ARG 55 HA ARG 55 4.647 -12.437 1.263 432 HB2 ARG 55 2HB ARG 55 6.339 -11.076 2.342 433 HB3 ARG 55 3HB ARG 55 6.738 -12.768 2.607 434 HG2 ARG 55 2HG ARG 55 8.452 -12.596 0.762 435 HG3 ARG 55 3HG ARG 55 8.102 -10.869 0.656 436 HD2 ARG 55 2HD ARG 55 8.731 -10.716 3.127 437 HD3 ARG 55 3HD ARG 55 9.315 -12.380 2.993 438 HE ARG 55 HE ARG 55 10.384 -10.408 1.113 439 HH11 ARG 55 1HH1 ARG 55 10.944 -12.232 4.061 440 HH12 ARG 55 2HH1 ARG 55 12.656 -11.980 4.033 441 HH21 ARG 55 1HH2 ARG 55 12.629 -10.107 1.081 442 HH22 ARG 55 2HH2 ARG 55 13.609 -10.778 2.347 443 H SER 56 H SER 56 4.427 -10.178 0.759 444 HA SER 56 HA SER 56 5.691 -9.211 -1.732 445 HB2 SER 56 2HB SER 56 3.496 -8.031 -2.217 446 HB3 SER 56 3HB SER 56 3.408 -9.788 -2.331 447 HG SER 56 HG SER 56 2.440 -8.099 -0.297 448 H ARG 57 H ARG 57 6.220 -7.036 -1.694 449 HA ARG 57 HA ARG 57 6.098 -5.632 0.915 450 HB2 ARG 57 2HB ARG 57 8.337 -6.526 0.516 451 HB3 ARG 57 3HB ARG 57 8.360 -5.897 -1.126 452 HG2 ARG 57 2HG ARG 57 8.496 -3.604 -0.286 453 HG3 ARG 57 3HG ARG 57 8.336 -4.179 1.377 454 HD2 ARG 57 2HD ARG 57 10.686 -3.660 0.822 455 HD3 ARG 57 3HD ARG 57 10.473 -5.368 1.205 456 HE ARG 57 HE ARG 57 10.813 -4.269 -1.531 457 HH11 ARG 57 1HH1 ARG 57 11.220 -6.950 0.734 458 HH12 ARG 57 2HH1 ARG 57 12.090 -7.930 -0.406 459 HH21 ARG 57 1HH2 ARG 57 11.958 -5.572 -3.003 460 HH22 ARG 57 2HH2 ARG 57 12.502 -7.148 -2.519 461 H THR 58 H THR 58 4.706 -3.930 0.612 462 HA THR 58 HA THR 58 4.635 -2.558 -2.020 463 HB THR 58 HB THR 58 2.492 -2.214 0.122 464 HG1 THR 58 HG1 THR 58 3.034 -4.524 -0.917 465 HG21 THR 58 3HG2 THR 58 1.077 -1.671 -1.847 466 HG22 THR 58 1HG2 THR 58 2.438 -1.980 -2.925 467 HG23 THR 58 2HG2 THR 58 2.497 -0.623 -1.794 468 H SER 59 H SER 59 5.744 -0.696 -2.033 469 HA SER 59 HA SER 59 5.917 1.013 0.374 470 HB2 SER 59 2HB SER 59 7.678 0.960 -2.126 471 HB3 SER 59 3HB SER 59 7.924 1.981 -0.701 472 HG SER 59 HG SER 59 8.186 0.076 0.521 473 H ILE 60 H ILE 60 4.580 2.713 0.341 474 HA ILE 60 HA ILE 60 3.700 3.922 -2.233 475 HB ILE 60 HB ILE 60 2.315 3.904 0.496 476 HG12 ILE 60 2HG1 ILE 60 1.467 2.673 -2.171 477 HG13 ILE 60 3HG1 ILE 60 2.020 1.790 -0.749 478 HG21 ILE 60 1HG2 ILE 60 1.412 5.327 -2.032 479 HG22 ILE 60 2HG2 ILE 60 1.989 6.099 -0.555 480 HG23 ILE 60 3HG2 ILE 60 0.478 5.193 -0.537 481 HD11 ILE 60 3HD1 ILE 60 0.042 2.534 0.488 482 HD12 ILE 60 1HD1 ILE 60 -0.387 1.668 -0.987 483 HD13 ILE 60 2HD1 ILE 60 -0.516 3.425 -0.933 484 H THR 61 H THR 61 4.474 5.928 -2.627 485 HA THR 61 HA THR 61 6.080 7.442 -0.853 486 HB THR 61 HB THR 61 4.627 8.368 -3.379 487 HG1 THR 61 HG1 THR 61 6.226 6.520 -3.432 488 HG21 THR 61 3HG2 THR 61 6.401 10.113 -3.505 489 HG22 THR 61 1HG2 THR 61 7.038 9.584 -1.948 490 HG23 THR 61 2HG2 THR 61 5.421 10.293 -2.048 491 H ALA 62 H ALA 62 5.073 7.985 1.023 492 HA ALA 62 HA ALA 62 2.566 9.532 0.988 493 HB1 ALA 62 3HB ALA 62 2.650 7.691 2.572 494 HB2 ALA 62 1HB ALA 62 2.665 9.217 3.459 495 HB3 ALA 62 2HB ALA 62 4.154 8.297 3.257 496 H ARG 63 H ARG 63 2.689 11.681 1.079 497 HA ARG 63 HA ARG 63 5.208 12.941 0.703 498 HB2 ARG 63 2HB ARG 63 2.382 14.027 0.928 499 HB3 ARG 63 3HB ARG 63 3.775 15.048 0.566 500 HG2 ARG 63 2HG ARG 63 2.765 12.722 -1.126 501 HG3 ARG 63 3HG ARG 63 2.632 14.443 -1.511 502 HD2 ARG 63 2HD ARG 63 5.129 14.585 -1.555 503 HD3 ARG 63 3HD ARG 63 5.208 12.845 -1.266 504 HE ARG 63 HE ARG 63 3.653 13.325 -3.563 505 HH11 ARG 63 1HH1 ARG 63 7.019 13.507 -2.480 506 HH12 ARG 63 2HH1 ARG 63 7.669 13.256 -4.071 507 HH21 ARG 63 1HH2 ARG 63 4.535 13.008 -5.639 508 HH22 ARG 63 2HH2 ARG 63 6.255 12.969 -5.859 509 H THR 64 H THR 64 3.067 12.720 3.443 510 HA THR 64 HA THR 64 5.196 13.819 5.167 511 HB THR 64 HB THR 64 3.421 14.701 6.713 512 HG1 THR 64 HG1 THR 64 1.349 14.934 5.075 513 HG21 THR 64 3HG2 THR 64 2.773 16.699 5.418 514 HG22 THR 64 1HG2 THR 64 3.258 15.899 3.922 515 HG23 THR 64 2HG2 THR 64 4.470 16.297 5.144 516 H LYS 65 H LYS 65 4.904 12.989 7.452 517 HA LYS 65 HA LYS 65 4.458 10.206 7.615 518 HB2 LYS 65 2HB LYS 65 4.707 10.531 10.100 519 HB3 LYS 65 3HB LYS 65 6.000 11.233 9.146 520 HG2 LYS 65 2HG LYS 65 5.648 12.890 10.727 521 HG3 LYS 65 3HG LYS 65 4.670 13.466 9.381 522 HD2 LYS 65 2HD LYS 65 3.458 13.756 11.469 523 HD3 LYS 65 3HD LYS 65 2.639 12.547 10.481 524 HE2 LYS 65 2HE LYS 65 2.713 11.884 12.852 525 HE3 LYS 65 3HE LYS 65 3.626 10.748 11.860 526 HZ1 LYS 65 3HZ LYS 65 4.795 12.964 13.457 527 HZ2 LYS 65 1HZ LYS 65 5.660 11.835 12.554 528 HZ3 LYS 65 2HZ LYS 65 4.783 11.336 13.910 529 H LYS 66 H LYS 66 2.356 12.952 8.061 530 HA LYS 66 HA LYS 66 0.077 11.805 9.229 531 HB2 LYS 66 2HB LYS 66 0.264 14.218 8.962 532 HB3 LYS 66 3HB LYS 66 0.415 14.072 7.219 533 HG2 LYS 66 2HG LYS 66 -1.783 14.901 7.705 534 HG3 LYS 66 3HG LYS 66 -1.937 13.245 7.115 535 HD2 LYS 66 2HD LYS 66 -2.038 12.547 9.602 536 HD3 LYS 66 3HD LYS 66 -2.256 14.265 9.959 537 HE2 LYS 66 2HE LYS 66 -4.065 12.516 8.254 538 HE3 LYS 66 3HE LYS 66 -4.422 13.142 9.859 539 HZ1 LYS 66 3HZ LYS 66 -5.520 14.382 8.078 540 HZ2 LYS 66 1HZ LYS 66 -4.016 14.814 7.437 541 HZ3 LYS 66 2HZ LYS 66 -4.473 15.361 8.968 542 H GLU 67 H GLU 67 1.076 12.040 5.808 543 HA GLU 67 HA GLU 67 -1.110 10.623 4.703 544 HB2 GLU 67 2HB GLU 67 1.730 10.797 3.598 545 HB3 GLU 67 3HB GLU 67 0.285 10.375 2.686 546 HG2 GLU 67 2HG GLU 67 0.945 13.072 3.890 547 HG3 GLU 67 3HG GLU 67 1.025 12.640 2.186 548 H ALA 68 H ALA 68 2.059 9.595 5.942 549 HA ALA 68 HA ALA 68 2.043 6.933 5.022 550 HB1 ALA 68 3HB ALA 68 4.064 8.149 5.671 551 HB2 ALA 68 1HB ALA 68 3.937 6.615 6.532 552 HB3 ALA 68 2HB ALA 68 3.551 8.126 7.360 553 H GLU 69 H GLU 69 0.550 8.356 7.822 554 HA GLU 69 HA GLU 69 0.149 5.963 9.340 555 HB2 GLU 69 2HB GLU 69 -1.157 8.706 9.415 556 HB3 GLU 69 3HB GLU 69 -1.609 7.414 10.520 557 HG2 GLU 69 2HG GLU 69 1.157 8.637 10.289 558 HG3 GLU 69 3HG GLU 69 -0.036 9.013 11.533 559 H LYS 70 H LYS 70 -1.940 7.839 7.139 560 HA LYS 70 HA LYS 70 -4.199 6.067 7.484 561 HB2 LYS 70 2HB LYS 70 -5.339 7.548 5.884 562 HB3 LYS 70 3HB LYS 70 -4.534 8.465 7.152 563 HG2 LYS 70 2HG LYS 70 -2.631 8.888 5.507 564 HG3 LYS 70 3HG LYS 70 -3.649 8.174 4.257 565 HD2 LYS 70 2HD LYS 70 -5.419 9.898 4.766 566 HD3 LYS 70 3HD LYS 70 -4.307 10.649 5.915 567 HE2 LYS 70 2HE LYS 70 -2.684 10.912 3.970 568 HE3 LYS 70 3HE LYS 70 -4.003 10.424 2.911 569 HZ1 LYS 70 3HZ LYS 70 -4.111 12.744 4.753 570 HZ2 LYS 70 1HZ LYS 70 -5.245 12.329 3.578 571 HZ3 LYS 70 2HZ LYS 70 -3.701 12.842 3.119 572 H PHE 71 H PHE 71 -1.515 6.314 5.268 573 HA PHE 71 HA PHE 71 -2.665 4.495 3.303 574 HB2 PHE 71 2HB PHE 71 0.125 5.627 3.478 575 HB3 PHE 71 3HB PHE 71 -0.515 4.674 2.137 576 HD1 PHE 71 HD1 PHE 71 -3.346 6.495 2.779 577 HD2 PHE 71 HD2 PHE 71 0.628 7.096 1.563 578 HE1 PHE 71 HE1 PHE 71 -4.011 8.576 1.660 579 HE2 PHE 71 HE2 PHE 71 -0.012 9.200 0.462 580 HZ PHE 71 HZ PHE 71 -2.331 9.937 0.497 581 H ALA 72 H ALA 72 -0.618 4.333 6.132 582 HA ALA 72 HA ALA 72 0.218 1.662 5.940 583 HB1 ALA 72 3HB ALA 72 0.235 1.648 8.414 584 HB2 ALA 72 1HB ALA 72 -0.693 3.153 8.435 585 HB3 ALA 72 2HB ALA 72 0.947 3.136 7.785 586 H ALA 73 H ALA 73 -2.860 3.111 7.071 587 HA ALA 73 HA ALA 73 -4.239 0.724 7.645 588 HB1 ALA 73 3HB ALA 73 -5.417 3.383 6.765 589 HB2 ALA 73 1HB ALA 73 -4.993 2.936 8.421 590 HB3 ALA 73 2HB ALA 73 -6.283 2.077 7.581 591 H ILE 74 H ILE 74 -3.896 2.519 4.593 592 HA ILE 74 HA ILE 74 -5.739 1.150 2.965 593 HB ILE 74 HB ILE 74 -3.129 2.595 2.272 594 HG12 ILE 74 2HG1 ILE 74 -6.077 3.369 1.979 595 HG13 ILE 74 3HG1 ILE 74 -4.932 4.041 3.135 596 HG21 ILE 74 1HG2 ILE 74 -3.836 2.563 -0.103 597 HG22 ILE 74 2HG2 ILE 74 -5.187 1.504 0.310 598 HG23 ILE 74 3HG2 ILE 74 -3.528 0.936 0.503 599 HD11 ILE 74 3HD1 ILE 74 -5.300 5.588 1.338 600 HD12 ILE 74 1HD1 ILE 74 -4.861 4.378 0.133 601 HD13 ILE 74 2HD1 ILE 74 -3.631 5.003 1.254 602 H LEU 75 H LEU 75 -2.280 0.489 3.497 603 HA LEU 75 HA LEU 75 -2.201 -1.904 1.953 604 HB2 LEU 75 2HB LEU 75 -0.280 -0.815 4.047 605 HB3 LEU 75 3HB LEU 75 0.070 -2.185 2.995 606 HG LEU 75 HG LEU 75 -0.440 0.676 2.076 607 HD11 LEU 75 1HD1 LEU 75 1.907 0.705 1.390 608 HD12 LEU 75 2HD1 LEU 75 2.141 -0.916 2.054 609 HD13 LEU 75 3HD1 LEU 75 1.756 0.435 3.126 610 HD21 LEU 75 3HD2 LEU 75 0.183 -1.806 0.450 611 HD22 LEU 75 1HD2 LEU 75 0.173 -0.152 -0.172 612 HD23 LEU 75 2HD2 LEU 75 -1.314 -0.868 0.436 613 H ILE 76 H ILE 76 -2.599 -1.306 5.431 614 HA ILE 76 HA ILE 76 -2.321 -3.968 6.326 615 HB ILE 76 HB ILE 76 -3.318 -1.405 7.567 616 HG12 ILE 76 2HG1 ILE 76 -1.640 -1.872 9.276 617 HG13 ILE 76 3HG1 ILE 76 -1.472 -3.535 8.735 618 HG21 ILE 76 1HG2 ILE 76 -5.127 -2.887 8.292 619 HG22 ILE 76 2HG2 ILE 76 -4.082 -2.489 9.656 620 HG23 ILE 76 3HG2 ILE 76 -3.952 -4.069 8.880 621 HD11 ILE 76 3HD1 ILE 76 0.432 -2.266 8.063 622 HD12 ILE 76 1HD1 ILE 76 -0.583 -1.067 7.276 623 HD13 ILE 76 2HD1 ILE 76 -0.482 -2.703 6.625 624 H LYS 77 H LYS 77 -5.099 -2.121 5.156 625 HA LYS 77 HA LYS 77 -7.162 -3.944 5.733 626 HB2 LYS 77 2HB LYS 77 -6.867 -1.530 4.054 627 HB3 LYS 77 3HB LYS 77 -7.911 -2.705 3.284 628 HG2 LYS 77 2HG LYS 77 -9.308 -1.207 4.492 629 HG3 LYS 77 3HG LYS 77 -9.332 -2.744 5.350 630 HD2 LYS 77 2HD LYS 77 -7.536 -0.442 6.211 631 HD3 LYS 77 3HD LYS 77 -9.208 -0.563 6.747 632 HE2 LYS 77 2HE LYS 77 -8.690 -2.757 7.791 633 HE3 LYS 77 3HE LYS 77 -7.007 -2.581 7.294 634 HZ1 LYS 77 3HZ LYS 77 -7.304 -1.908 9.578 635 HZ2 LYS 77 1HZ LYS 77 -8.478 -0.780 9.135 636 HZ3 LYS 77 2HZ LYS 77 -6.877 -0.570 8.645 637 H VAL 78 H VAL 78 -5.083 -3.631 2.883 638 HA VAL 78 HA VAL 78 -6.064 -5.697 1.287 639 HB VAL 78 HB VAL 78 -3.276 -4.473 1.521 640 HG11 VAL 78 1HG1 VAL 78 -2.920 -6.700 0.575 641 HG12 VAL 78 2HG1 VAL 78 -2.717 -5.485 -0.687 642 HG13 VAL 78 3HG1 VAL 78 -4.200 -6.436 -0.610 643 HG21 VAL 78 3HG2 VAL 78 -3.931 -3.313 -0.575 644 HG22 VAL 78 1HG2 VAL 78 -5.036 -2.952 0.752 645 HG23 VAL 78 2HG2 VAL 78 -5.508 -4.097 -0.509 646 H TYR 79 H TYR 79 -3.220 -5.825 3.485 647 HA TYR 79 HA TYR 79 -2.763 -8.600 3.074 648 HB2 TYR 79 2HB TYR 79 -1.651 -6.641 5.112 649 HB3 TYR 79 3HB TYR 79 -1.148 -8.325 5.048 650 HD1 TYR 79 HD2 TYR 79 -1.085 -5.106 3.192 651 HD2 TYR 79 HD1 TYR 79 0.395 -9.107 3.331 652 HE1 TYR 79 HE2 TYR 79 0.618 -4.517 1.530 653 HE2 TYR 79 HE1 TYR 79 2.109 -8.518 1.668 654 HH TYR 79 HH TYR 79 2.878 -5.347 0.865 655 H ALA 80 H ALA 80 -4.677 -6.858 5.478 656 HA ALA 80 HA ALA 80 -4.945 -8.956 7.390 657 HB1 ALA 80 3HB ALA 80 -6.855 -7.682 8.284 658 HB2 ALA 80 1HB ALA 80 -6.846 -6.648 6.850 659 HB3 ALA 80 2HB ALA 80 -5.478 -6.625 7.963 660 H GLU 81 H GLU 81 -6.940 -7.911 4.655 661 HA GLU 81 HA GLU 81 -8.913 -9.915 4.698 662 HB2 GLU 81 2HB GLU 81 -7.671 -8.354 2.402 663 HB3 GLU 81 3HB GLU 81 -9.091 -9.374 2.217 664 HG2 GLU 81 2HG GLU 81 -9.121 -7.130 4.236 665 HG3 GLU 81 3HG GLU 81 -9.331 -6.770 2.523 666 H LEU 82 H LEU 82 -5.625 -9.847 3.349 667 HA LEU 82 HA LEU 82 -5.774 -12.281 1.867 668 HB2 LEU 82 2HB LEU 82 -3.337 -10.768 2.887 669 HB3 LEU 82 3HB LEU 82 -3.267 -12.122 1.768 670 HG LEU 82 HG LEU 82 -4.471 -9.383 1.235 671 HD11 LEU 82 1HD1 LEU 82 -2.036 -9.402 1.129 672 HD12 LEU 82 2HD1 LEU 82 -2.736 -9.170 -0.472 673 HD13 LEU 82 3HD1 LEU 82 -2.075 -10.745 -0.021 674 HD21 LEU 82 3HD2 LEU 82 -5.881 -11.022 0.158 675 HD22 LEU 82 1HD2 LEU 82 -4.477 -11.811 -0.568 676 HD23 LEU 82 2HD2 LEU 82 -4.927 -10.173 -1.053 677 H GLY 83 H GLY 83 -5.141 -11.608 5.246 678 HA2 GLY 83 2HA GLY 83 -5.105 -14.476 5.836 679 HA3 GLY 83 3HA GLY 83 -3.640 -13.598 6.256 680 H TYR 84 H TYR 84 -3.564 -12.642 8.215 681 HA TYR 84 HA TYR 84 -6.044 -12.438 9.835 682 HB2 TYR 84 2HB TYR 84 -4.073 -13.984 10.565 683 HB3 TYR 84 3HB TYR 84 -3.200 -12.500 10.942 684 HD1 TYR 84 HD1 TYR 84 -6.026 -14.679 11.888 685 HD2 TYR 84 HD2 TYR 84 -3.925 -11.083 12.858 686 HE1 TYR 84 HE1 TYR 84 -7.224 -14.553 14.028 687 HE2 TYR 84 HE2 TYR 84 -5.121 -10.966 14.981 688 HH TYR 84 HH TYR 84 -7.299 -11.777 15.927 689 H ASN 85 H ASN 85 -6.292 -10.580 11.192 690 HA ASN 85 HA ASN 85 -5.351 -8.079 10.085 691 HB2 ASN 85 2HB ASN 85 -6.914 -7.067 11.791 692 HB3 ASN 85 3HB ASN 85 -7.690 -8.231 10.729 693 HD21 ASN 85 1HD2 ASN 85 -6.833 -7.486 13.993 694 HD22 ASN 85 2HD2 ASN 85 -7.626 -8.832 14.738 695 H ASP 86 H ASP 86 -3.076 -8.902 10.686 696 HA ASP 86 HA ASP 86 -2.058 -7.268 12.830 697 HB2 ASP 86 2HB ASP 86 -2.614 -9.343 14.099 698 HB3 ASP 86 3HB ASP 86 -1.662 -10.300 12.964 699 H ILE 87 H ILE 87 -0.731 -6.198 11.421 700 HA ILE 87 HA ILE 87 0.678 -7.767 9.324 701 HB ILE 87 HB ILE 87 -0.469 -4.958 8.971 702 HG12 ILE 87 2HG1 ILE 87 -2.383 -6.479 9.345 703 HG13 ILE 87 3HG1 ILE 87 -2.342 -5.979 7.657 704 HG21 ILE 87 1HG2 ILE 87 -0.172 -5.384 6.561 705 HG22 ILE 87 2HG2 ILE 87 0.520 -6.969 6.917 706 HG23 ILE 87 3HG2 ILE 87 1.358 -5.503 7.433 707 HD11 ILE 87 3HD1 ILE 87 -2.909 -8.291 7.806 708 HD12 ILE 87 1HD1 ILE 87 -1.487 -8.636 8.787 709 HD13 ILE 87 2HD1 ILE 87 -1.301 -8.160 7.098 710 H ASN 88 H ASN 88 2.747 -6.992 8.642 711 HA ASN 88 HA ASN 88 4.240 -5.577 10.725 712 HB2 ASN 88 2HB ASN 88 5.123 -7.725 9.809 713 HB3 ASN 88 3HB ASN 88 5.235 -6.998 8.209 714 HD21 ASN 88 1HD2 ASN 88 7.488 -7.317 8.103 715 HD22 ASN 88 2HD2 ASN 88 8.604 -6.404 9.056 716 H VAL 89 H VAL 89 4.585 -3.447 10.575 717 HA VAL 89 HA VAL 89 4.539 -2.049 7.953 718 HB VAL 89 HB VAL 89 3.942 -0.694 10.626 719 HG11 VAL 89 1HG1 VAL 89 2.759 0.953 9.218 720 HG12 VAL 89 2HG1 VAL 89 3.161 0.018 7.776 721 HG13 VAL 89 3HG1 VAL 89 4.445 0.777 8.719 722 HG21 VAL 89 3HG2 VAL 89 1.515 -0.980 10.211 723 HG22 VAL 89 1HG2 VAL 89 2.327 -2.523 10.491 724 HG23 VAL 89 2HG2 VAL 89 1.881 -2.047 8.852 725 H THR 90 H THR 90 6.358 -0.925 7.437 726 HA THR 90 HA THR 90 8.152 0.107 9.534 727 HB THR 90 HB THR 90 9.119 -1.444 7.076 728 HG1 THR 90 HG1 THR 90 8.688 -2.167 9.736 729 HG21 THR 90 3HG2 THR 90 10.668 0.391 7.662 730 HG22 THR 90 1HG2 THR 90 11.384 -1.178 8.043 731 HG23 THR 90 2HG2 THR 90 10.723 -0.175 9.335 732 H TRP 91 H TRP 91 8.413 2.244 9.136 733 HA TRP 91 HA TRP 91 7.987 3.335 6.426 734 HB2 TRP 91 2HB TRP 91 8.264 4.778 9.099 735 HB3 TRP 91 3HB TRP 91 7.919 5.545 7.551 736 HD1 TRP 91 HD1 TRP 91 5.444 5.060 6.480 737 HE1 TRP 91 HE1 TRP 91 3.212 4.512 7.632 738 HE3 TRP 91 HE3 TRP 91 7.223 3.566 11.040 739 HZ2 TRP 91 HZ2 TRP 91 2.322 3.583 10.123 740 HZ3 TRP 91 HZ3 TRP 91 5.606 2.859 12.759 741 HH2 TRP 91 HH2 TRP 91 3.203 2.868 12.304 742 H ASP 92 H ASP 92 9.541 4.552 5.411 743 HA ASP 92 HA ASP 92 12.106 5.162 6.636 744 HB2 ASP 92 2HB ASP 92 13.437 4.057 4.827 745 HB3 ASP 92 3HB ASP 92 12.586 2.900 5.841 746 H GLY 93 H GLY 93 12.322 7.232 6.174 747 HA2 GLY 93 2HA GLY 93 12.275 9.272 5.137 748 HA3 GLY 93 3HA GLY 93 12.525 8.388 3.636 749 H ASP 94 H ASP 94 9.821 8.428 5.924 750 HA ASP 94 HA ASP 94 7.621 8.864 5.820 751 HB2 ASP 94 2HB ASP 94 8.395 10.732 3.541 752 HB3 ASP 94 3HB ASP 94 6.787 10.678 4.258 753 H THR 95 H THR 95 9.003 6.891 3.741 754 HA THR 95 HA THR 95 6.665 6.425 2.009 755 HB THR 95 HB THR 95 9.377 5.004 2.016 756 HG1 THR 95 HG1 THR 95 9.387 7.339 1.525 757 HG21 THR 95 3HG2 THR 95 7.568 3.703 0.909 758 HG22 THR 95 1HG2 THR 95 8.743 4.295 -0.271 759 HG23 THR 95 2HG2 THR 95 7.183 5.102 -0.098 760 H VAL 96 H VAL 96 5.204 4.846 2.558 761 HA VAL 96 HA VAL 96 5.701 3.294 4.997 762 HB VAL 96 HB VAL 96 3.612 4.509 5.010 763 HG11 VAL 96 1HG1 VAL 96 3.214 4.767 2.607 764 HG12 VAL 96 2HG1 VAL 96 1.772 4.158 3.422 765 HG13 VAL 96 3HG1 VAL 96 2.784 3.059 2.477 766 HG21 VAL 96 3HG2 VAL 96 1.997 2.700 5.479 767 HG22 VAL 96 1HG2 VAL 96 3.596 2.319 6.124 768 HG23 VAL 96 2HG2 VAL 96 3.035 1.546 4.638 769 H THR 97 H THR 97 6.680 1.464 4.727 770 HA THR 97 HA THR 97 6.267 -0.255 2.363 771 HB THR 97 HB THR 97 8.583 -0.148 4.350 772 HG1 THR 97 HG1 THR 97 9.063 1.481 3.095 773 HG21 THR 97 3HG2 THR 97 8.328 -1.765 1.782 774 HG22 THR 97 1HG2 THR 97 8.298 -2.430 3.419 775 HG23 THR 97 2HG2 THR 97 9.762 -1.661 2.805 776 H VAL 98 H VAL 98 4.679 -1.622 2.869 777 HA VAL 98 HA VAL 98 4.683 -3.068 5.452 778 HB VAL 98 HB VAL 98 2.397 -2.420 3.530 779 HG11 VAL 98 1HG1 VAL 98 2.288 -4.132 6.039 780 HG12 VAL 98 2HG1 VAL 98 2.046 -4.690 4.382 781 HG13 VAL 98 3HG1 VAL 98 0.888 -3.578 5.111 782 HG21 VAL 98 3HG2 VAL 98 3.074 -0.556 5.008 783 HG22 VAL 98 1HG2 VAL 98 2.870 -1.593 6.425 784 HG23 VAL 98 2HG2 VAL 98 1.469 -1.155 5.440 785 H GLU 99 H GLU 99 5.634 -4.970 5.231 786 HA GLU 99 HA GLU 99 5.358 -6.527 2.719 787 HB2 GLU 99 2HB GLU 99 7.668 -5.747 3.102 788 HB3 GLU 99 3HB GLU 99 7.666 -6.467 4.709 789 HG2 GLU 99 2HG GLU 99 7.426 -8.723 3.651 790 HG3 GLU 99 3HG GLU 99 7.531 -7.957 2.065 791 H GLY 100 H GLY 100 4.068 -8.225 2.968 792 HA2 GLY 100 2HA GLY 100 2.972 -10.053 3.783 793 HA3 GLY 100 3HA GLY 100 4.365 -10.311 4.824 794 H GLN 101 H GLN 101 2.826 -11.094 6.401 795 HA GLN 101 HA GLN 101 1.469 -8.969 7.957 796 HB2 GLN 101 2HB GLN 101 0.280 -10.748 9.158 797 HB3 GLN 101 3HB GLN 101 0.012 -10.880 7.430 798 HG2 GLN 101 2HG GLN 101 2.047 -12.600 8.876 799 HG3 GLN 101 3HG GLN 101 0.354 -13.059 8.737 800 HE21 GLN 101 1HE2 GLN 101 -0.501 -13.479 6.626 801 HE22 GLN 101 2HE2 GLN 101 0.540 -13.975 5.336 802 H LEU 102 H LEU 102 1.701 -9.233 10.376 803 HA LEU 102 HA LEU 102 4.465 -9.110 11.055 804 HB2 LEU 102 2HB LEU 102 2.660 -7.720 12.133 805 HB3 LEU 102 3HB LEU 102 2.061 -9.168 12.925 806 HG LEU 102 HG LEU 102 4.368 -9.374 14.048 807 HD11 LEU 102 1HD1 LEU 102 4.718 -6.537 13.050 808 HD12 LEU 102 2HD1 LEU 102 5.625 -7.950 12.509 809 HD13 LEU 102 3HD1 LEU 102 5.781 -7.394 14.172 810 HD21 LEU 102 3HD2 LEU 102 2.788 -6.885 14.764 811 HD22 LEU 102 1HD2 LEU 102 3.886 -7.784 15.819 812 HD23 LEU 102 2HD2 LEU 102 2.388 -8.530 15.265 813 H GLU 103 H GLU 103 5.555 -10.976 10.930 814 HA GLU 103 HA GLU 103 4.597 -13.509 11.974 815 HB2 GLU 103 2HB GLU 103 6.870 -14.343 11.313 816 HB3 GLU 103 3HB GLU 103 6.019 -13.553 9.987 817 HG2 GLU 103 2HG GLU 103 7.362 -11.531 10.294 818 HG3 GLU 103 3HG GLU 103 8.160 -12.246 11.688 819 H GLY 104 H GLY 104 6.790 -10.930 12.953 820 HA2 GLY 104 2HA GLY 104 7.701 -12.230 15.397 821 HA3 GLY 104 3HA GLY 104 8.087 -10.604 14.846 822 H VAL 105 H VAL 105 5.665 -12.581 16.433 823 HA VAL 105 HA VAL 105 3.705 -10.531 16.833 824 HB VAL 105 HB VAL 105 3.937 -13.256 18.218 825 HG11 VAL 105 1HG1 VAL 105 1.496 -11.488 17.814 826 HG12 VAL 105 2HG1 VAL 105 2.335 -11.759 19.342 827 HG13 VAL 105 3HG1 VAL 105 1.495 -13.093 18.549 828 HG21 VAL 105 3HG2 VAL 105 2.476 -12.574 15.635 829 HG22 VAL 105 1HG2 VAL 105 2.450 -14.142 16.449 830 HG23 VAL 105 2HG2 VAL 105 3.956 -13.528 15.760 831 H ASP 106 H ASP 106 5.033 -8.904 17.789 832 HA ASP 106 HA ASP 106 5.150 -8.725 20.594 833 HB2 ASP 106 2HB ASP 106 7.069 -10.291 20.390 834 HB3 ASP 106 3HB ASP 106 7.842 -9.221 19.222 Start of MODEL 13 1 H1 MET 1 1H MET 1 19.258 28.944 -14.580 2 H2 MET 1 2H MET 1 18.531 28.988 -16.103 3 H3 MET 1 3H MET 1 20.206 28.803 -15.975 4 HA MET 1 HA MET 1 19.145 26.731 -16.533 5 HB2 MET 1 2HB MET 1 20.135 25.341 -14.711 6 HB3 MET 1 3HB MET 1 21.218 26.605 -15.265 7 HG2 MET 1 2HG MET 1 19.590 26.689 -12.717 8 HG3 MET 1 3HG MET 1 21.312 26.318 -12.833 9 HE1 MET 1 3HE MET 1 20.152 28.576 -10.872 10 HE2 MET 1 1HE MET 1 21.318 29.869 -11.140 11 HE3 MET 1 2HE MET 1 21.866 28.196 -11.008 12 H HIS 2 H HIS 2 17.214 25.755 -16.580 13 HA HIS 2 HA HIS 2 15.077 26.529 -14.841 14 HB2 HIS 2 2HB HIS 2 15.224 24.347 -16.966 15 HB3 HIS 2 3HB HIS 2 13.749 24.761 -16.100 16 HD1 HIS 2 HD1 HIS 2 14.165 25.049 -19.237 17 HD2 HIS 2 HD2 HIS 2 14.402 28.128 -16.450 18 HE1 HIS 2 HE1 HIS 2 13.706 27.155 -20.521 19 HE2 HIS 2 HE2 HIS 2 14.076 29.008 -18.859 20 H HIS 3 H HIS 3 15.312 25.996 -12.768 21 HA HIS 3 HA HIS 3 16.665 23.676 -11.822 22 HB2 HIS 3 2HB HIS 3 16.046 24.527 -9.548 23 HB3 HIS 3 3HB HIS 3 16.828 25.729 -10.561 24 HD1 HIS 3 HD1 HIS 3 15.751 27.963 -10.472 25 HD2 HIS 3 HD2 HIS 3 13.030 24.945 -9.614 26 HE1 HIS 3 HE1 HIS 3 13.623 29.130 -9.826 27 HE2 HIS 3 HE2 HIS 3 12.056 27.293 -9.160 28 H HIS 4 H HIS 4 15.909 21.945 -10.638 29 HA HIS 4 HA HIS 4 13.020 21.287 -10.882 30 HB2 HIS 4 2HB HIS 4 15.375 19.342 -11.020 31 HB3 HIS 4 3HB HIS 4 13.674 18.917 -11.153 32 HD1 HIS 4 HD1 HIS 4 12.539 19.280 -13.436 33 HD2 HIS 4 HD2 HIS 4 16.505 20.517 -13.347 34 HE1 HIS 4 HE1 HIS 4 13.187 19.654 -15.832 35 HE2 HIS 4 HE2 HIS 4 15.635 20.200 -15.763 36 H HIS 5 H HIS 5 12.161 21.400 -8.860 37 HA HIS 5 HA HIS 5 13.279 19.684 -6.773 38 HB2 HIS 5 2HB HIS 5 12.995 22.670 -6.468 39 HB3 HIS 5 3HB HIS 5 12.541 21.679 -5.085 40 HD1 HIS 5 HD1 HIS 5 15.011 23.679 -5.234 41 HD2 HIS 5 HD2 HIS 5 15.160 19.533 -5.514 42 HE1 HIS 5 HE1 HIS 5 17.329 23.032 -4.508 43 HE2 HIS 5 HE2 HIS 5 17.445 20.554 -4.877 44 H HIS 6 H HIS 6 10.654 22.101 -7.213 45 HA HIS 6 HA HIS 6 8.654 19.965 -6.748 46 HB2 HIS 6 2HB HIS 6 8.809 22.674 -5.409 47 HB3 HIS 6 3HB HIS 6 7.242 21.915 -5.654 48 HD1 HIS 6 HD1 HIS 6 6.599 20.023 -4.108 49 HD2 HIS 6 HD2 HIS 6 10.526 21.284 -3.558 50 HE1 HIS 6 HE1 HIS 6 7.387 18.894 -2.011 51 HE2 HIS 6 HE2 HIS 6 9.803 19.541 -1.790 52 H HIS 7 H HIS 7 9.439 20.470 -9.214 53 HA HIS 7 HA HIS 7 7.316 22.077 -10.496 54 HB2 HIS 7 2HB HIS 7 9.748 22.336 -11.250 55 HB3 HIS 7 3HB HIS 7 9.689 20.673 -11.820 56 HD1 HIS 7 HD1 HIS 7 9.404 20.644 -14.305 57 HD2 HIS 7 HD2 HIS 7 7.363 23.820 -12.571 58 HE1 HIS 7 HE1 HIS 7 8.254 21.823 -16.198 59 HE2 HIS 7 HE2 HIS 7 6.900 23.627 -15.103 60 H ARG 8 H ARG 8 6.835 19.630 -9.004 61 HA ARG 8 HA ARG 8 5.207 18.172 -10.898 62 HB2 ARG 8 2HB ARG 8 7.610 17.115 -10.890 63 HB3 ARG 8 3HB ARG 8 7.220 16.557 -9.271 64 HG2 ARG 8 2HG ARG 8 6.863 14.788 -10.917 65 HG3 ARG 8 3HG ARG 8 5.329 15.244 -10.175 66 HD2 ARG 8 2HD ARG 8 4.539 16.272 -12.132 67 HD3 ARG 8 3HD ARG 8 6.157 16.543 -12.772 68 HE ARG 8 HE ARG 8 6.098 14.489 -13.766 69 HH11 ARG 8 1HH1 ARG 8 3.460 14.557 -11.434 70 HH12 ARG 8 2HH1 ARG 8 2.792 13.064 -12.001 71 HH21 ARG 8 1HH2 ARG 8 5.176 12.562 -14.501 72 HH22 ARG 8 2HH2 ARG 8 3.751 11.942 -13.726 73 H SER 9 H SER 9 3.471 17.184 -9.821 74 HA SER 9 HA SER 9 2.737 18.297 -7.297 75 HB2 SER 9 2HB SER 9 1.064 17.865 -9.053 76 HB3 SER 9 3HB SER 9 1.436 16.145 -9.034 77 HG SER 9 HG SER 9 -0.044 15.968 -7.573 78 H GLY 10 H GLY 10 1.772 16.851 -5.532 79 HA2 GLY 10 2HA GLY 10 3.655 14.911 -4.501 80 HA3 GLY 10 3HA GLY 10 2.117 15.383 -3.786 81 H ASP 11 H ASP 11 3.342 13.667 -6.650 82 HA ASP 11 HA ASP 11 1.005 12.060 -7.003 83 HB2 ASP 11 2HB ASP 11 3.779 11.938 -8.259 84 HB3 ASP 11 3HB ASP 11 2.490 10.828 -8.694 85 H ILE 12 H ILE 12 0.507 10.396 -5.890 86 HA ILE 12 HA ILE 12 2.248 9.051 -4.020 87 HB ILE 12 HB ILE 12 -0.639 8.465 -4.818 88 HG12 ILE 12 2HG1 ILE 12 0.267 10.147 -2.439 89 HG13 ILE 12 3HG1 ILE 12 -0.206 10.845 -3.981 90 HG21 ILE 12 1HG2 ILE 12 0.881 7.658 -2.318 91 HG22 ILE 12 2HG2 ILE 12 0.393 6.587 -3.633 92 HG23 ILE 12 3HG2 ILE 12 -0.832 7.355 -2.624 93 HD11 ILE 12 3HD1 ILE 12 -2.005 10.980 -2.394 94 HD12 ILE 12 1HD1 ILE 12 -1.976 9.233 -2.149 95 HD13 ILE 12 2HD1 ILE 12 -2.451 9.901 -3.714 96 H GLN 13 H GLN 13 3.730 7.756 -5.050 97 HA GLN 13 HA GLN 13 3.042 6.015 -7.270 98 HB2 GLN 13 2HB GLN 13 5.237 7.226 -7.185 99 HB3 GLN 13 3HB GLN 13 5.666 6.309 -5.746 100 HG2 GLN 13 2HG GLN 13 5.538 4.202 -7.091 101 HG3 GLN 13 3HG GLN 13 5.199 5.173 -8.524 102 HE21 GLN 13 1HE2 GLN 13 7.084 4.323 -9.534 103 HE22 GLN 13 2HE2 GLN 13 8.663 4.862 -9.096 104 H VAL 14 H VAL 14 2.045 4.192 -6.827 105 HA VAL 14 HA VAL 14 2.322 2.754 -4.290 106 HB VAL 14 HB VAL 14 0.531 2.075 -6.682 107 HG11 VAL 14 1HG1 VAL 14 0.857 0.206 -5.132 108 HG12 VAL 14 2HG1 VAL 14 -0.804 0.796 -5.041 109 HG13 VAL 14 3HG1 VAL 14 0.351 1.215 -3.773 110 HG21 VAL 14 3HG2 VAL 14 -1.308 3.237 -5.524 111 HG22 VAL 14 1HG2 VAL 14 0.009 4.346 -5.919 112 HG23 VAL 14 2HG2 VAL 14 -0.188 3.765 -4.265 113 H GLN 15 H GLN 15 4.128 1.528 -4.290 114 HA GLN 15 HA GLN 15 4.897 -0.080 -6.653 115 HB2 GLN 15 2HB GLN 15 6.537 0.777 -4.219 116 HB3 GLN 15 3HB GLN 15 7.138 -0.216 -5.546 117 HG2 GLN 15 2HG GLN 15 6.796 1.649 -7.113 118 HG3 GLN 15 3HG GLN 15 6.166 2.642 -5.806 119 HE21 GLN 15 1HE2 GLN 15 9.049 1.158 -7.133 120 HE22 GLN 15 2HE2 GLN 15 10.180 2.111 -6.242 121 H ASN 16 H ASN 16 5.086 -2.285 -6.434 122 HA ASN 16 HA ASN 16 4.914 -3.558 -3.807 123 HB2 ASN 16 2HB ASN 16 2.548 -3.429 -4.550 124 HB3 ASN 16 3HB ASN 16 2.963 -4.198 -6.077 125 HD21 ASN 16 1HD2 ASN 16 2.712 -4.697 -2.601 126 HD22 ASN 16 2HD2 ASN 16 2.560 -6.417 -2.673 127 H ASN 17 H ASN 17 6.541 -4.900 -3.765 128 HA ASN 17 HA ASN 17 7.807 -5.893 -6.232 129 HB2 ASN 17 2HB ASN 17 9.279 -4.561 -4.771 130 HB3 ASN 17 3HB ASN 17 8.875 -5.566 -3.386 131 HD21 ASN 17 1HD2 ASN 17 9.641 -6.701 -6.692 132 HD22 ASN 17 2HD2 ASN 17 11.070 -7.554 -6.231 133 H ASN 18 H ASN 18 7.216 -7.902 -6.710 134 HA ASN 18 HA ASN 18 6.178 -9.717 -4.622 135 HB2 ASN 18 2HB ASN 18 6.041 -9.933 -7.673 136 HB3 ASN 18 3HB ASN 18 5.171 -10.938 -6.515 137 HD21 ASN 18 1HD2 ASN 18 3.350 -10.069 -5.448 138 HD22 ASN 18 2HD2 ASN 18 2.623 -8.578 -5.930 139 H THR 19 H THR 19 7.575 -11.198 -3.859 140 HA THR 19 HA THR 19 10.024 -11.807 -5.402 141 HB THR 19 HB THR 19 9.548 -12.212 -2.415 142 HG1 THR 19 HG1 THR 19 9.534 -9.932 -3.415 143 HG21 THR 19 3HG2 THR 19 11.423 -13.554 -3.336 144 HG22 THR 19 1HG2 THR 19 12.023 -12.272 -2.286 145 HG23 THR 19 2HG2 THR 19 12.129 -12.097 -4.039 146 H CYS 20 H CYS 20 9.976 -13.704 -6.465 147 HA CYS 20 HA CYS 20 8.689 -16.086 -5.267 148 HB2 CYS 20 2HB CYS 20 8.530 -15.343 -8.215 149 HB3 CYS 20 3HB CYS 20 7.774 -16.730 -7.437 150 H ASN 21 H ASN 21 10.392 -15.573 -8.381 151 HA ASN 21 HA ASN 21 12.901 -16.644 -7.562 152 HB2 ASN 21 2HB ASN 21 11.480 -18.767 -7.613 153 HB3 ASN 21 3HB ASN 21 11.236 -18.499 -9.333 154 HD21 ASN 21 1HD2 ASN 21 13.545 -19.392 -6.875 155 HD22 ASN 21 2HD2 ASN 21 14.752 -20.007 -7.947 156 H GLY 22 H GLY 22 14.423 -15.999 -9.018 157 HA2 GLY 22 2HA GLY 22 15.406 -15.078 -10.860 158 HA3 GLY 22 3HA GLY 22 14.063 -15.678 -11.820 159 H LYS 23 H LYS 23 12.215 -14.339 -12.117 160 HA LYS 23 HA LYS 23 12.258 -11.586 -11.188 161 HB2 LYS 23 2HB LYS 23 12.409 -10.517 -13.333 162 HB3 LYS 23 3HB LYS 23 13.780 -11.597 -13.198 163 HG2 LYS 23 2HG LYS 23 11.269 -12.165 -14.803 164 HG3 LYS 23 3HG LYS 23 12.769 -11.545 -15.471 165 HD2 LYS 23 2HD LYS 23 12.418 -14.259 -14.146 166 HD3 LYS 23 3HD LYS 23 12.483 -13.969 -15.881 167 HE2 LYS 23 2HE LYS 23 14.800 -13.160 -15.669 168 HE3 LYS 23 3HE LYS 23 14.732 -13.419 -13.923 169 HZ1 LYS 23 3HZ LYS 23 14.360 -15.790 -14.340 170 HZ2 LYS 23 1HZ LYS 23 15.829 -15.274 -15.002 171 HZ3 LYS 23 2HZ LYS 23 14.491 -15.535 -16.005 172 H THR 24 H THR 24 10.276 -10.598 -11.262 173 HA THR 24 HA THR 24 7.930 -12.087 -12.301 174 HB THR 24 HB THR 24 6.668 -11.342 -10.250 175 HG1 THR 24 HG1 THR 24 7.605 -10.052 -8.856 176 HG21 THR 24 3HG2 THR 24 7.603 -13.631 -10.265 177 HG22 THR 24 1HG2 THR 24 7.645 -12.939 -8.640 178 HG23 THR 24 2HG2 THR 24 9.121 -13.022 -9.602 179 H PHE 25 H PHE 25 5.956 -10.615 -12.265 180 HA PHE 25 HA PHE 25 6.605 -8.013 -13.441 181 HB2 PHE 25 2HB PHE 25 3.947 -9.506 -13.321 182 HB3 PHE 25 3HB PHE 25 4.269 -8.032 -14.234 183 HD1 PHE 25 HD2 PHE 25 5.825 -8.085 -16.195 184 HD2 PHE 25 HD1 PHE 25 4.640 -11.682 -14.204 185 HE1 PHE 25 HE2 PHE 25 6.611 -9.409 -18.112 186 HE2 PHE 25 HE1 PHE 25 5.440 -13.002 -16.128 187 HZ PHE 25 HZ PHE 25 6.424 -11.865 -18.084 188 H ASP 26 H ASP 26 7.160 -6.813 -11.682 189 HA ASP 26 HA ASP 26 5.690 -6.710 -9.221 190 HB2 ASP 26 2HB ASP 26 7.771 -4.716 -10.224 191 HB3 ASP 26 3HB ASP 26 7.252 -4.954 -8.557 192 H TYR 27 H TYR 27 4.183 -5.226 -8.546 193 HA TYR 27 HA TYR 27 2.687 -3.867 -10.633 194 HB2 TYR 27 2HB TYR 27 2.122 -4.168 -7.652 195 HB3 TYR 27 3HB TYR 27 0.989 -3.528 -8.844 196 HD1 TYR 27 HD1 TYR 27 0.348 -5.092 -10.819 197 HD2 TYR 27 HD2 TYR 27 2.138 -6.518 -7.212 198 HE1 TYR 27 HE1 TYR 27 -0.471 -7.355 -11.306 199 HE2 TYR 27 HE2 TYR 27 1.317 -8.788 -7.698 200 HH TYR 27 HH TYR 27 -0.380 -9.901 -8.991 201 H THR 28 H THR 28 2.729 -1.737 -11.057 202 HA THR 28 HA THR 28 3.508 0.198 -8.992 203 HB THR 28 HB THR 28 4.634 0.298 -11.831 204 HG1 THR 28 HG1 THR 28 5.652 -0.711 -9.406 205 HG21 THR 28 3HG2 THR 28 5.209 2.027 -9.387 206 HG22 THR 28 1HG2 THR 28 4.315 2.539 -10.813 207 HG23 THR 28 2HG2 THR 28 6.032 2.147 -10.946 208 H TYR 29 H TYR 29 1.935 1.624 -8.815 209 HA TYR 29 HA TYR 29 0.471 2.622 -11.189 210 HB2 TYR 29 2HB TYR 29 -0.583 2.237 -8.342 211 HB3 TYR 29 3HB TYR 29 -1.452 3.082 -9.620 212 HD1 TYR 29 HD1 TYR 29 -1.860 1.683 -11.843 213 HD2 TYR 29 HD2 TYR 29 -1.023 -0.085 -8.046 214 HE1 TYR 29 HE1 TYR 29 -2.881 -0.421 -12.602 215 HE2 TYR 29 HE2 TYR 29 -2.048 -2.191 -8.808 216 HH TYR 29 HH TYR 29 -3.871 -2.819 -10.591 217 H THR 30 H THR 30 -0.022 4.901 -11.112 218 HA THR 30 HA THR 30 1.206 6.488 -8.938 219 HB THR 30 HB THR 30 1.332 7.209 -11.907 220 HG1 THR 30 HG1 THR 30 3.014 5.799 -10.254 221 HG21 THR 30 3HG2 THR 30 2.771 9.093 -11.148 222 HG22 THR 30 1HG2 THR 30 2.479 8.634 -9.464 223 HG23 THR 30 2HG2 THR 30 1.151 9.218 -10.468 224 H VAL 31 H VAL 31 -0.507 7.376 -7.917 225 HA VAL 31 HA VAL 31 -2.748 8.505 -9.510 226 HB VAL 31 HB VAL 31 -4.221 8.212 -7.564 227 HG11 VAL 31 1HG1 VAL 31 -4.446 5.752 -7.549 228 HG12 VAL 31 2HG1 VAL 31 -2.839 5.596 -8.267 229 HG13 VAL 31 3HG1 VAL 31 -4.140 6.363 -9.178 230 HG21 VAL 31 3HG2 VAL 31 -2.591 8.435 -5.743 231 HG22 VAL 31 1HG2 VAL 31 -1.872 6.879 -6.160 232 HG23 VAL 31 2HG2 VAL 31 -3.526 6.954 -5.544 233 H THR 32 H THR 32 -3.331 10.625 -9.069 234 HA THR 32 HA THR 32 -1.570 12.192 -7.271 235 HB THR 32 HB THR 32 -1.555 12.909 -9.640 236 HG1 THR 32 HG1 THR 32 -2.878 14.781 -7.941 237 HG21 THR 32 3HG2 THR 32 -3.538 13.919 -10.704 238 HG22 THR 32 1HG2 THR 32 -4.522 13.469 -9.306 239 HG23 THR 32 2HG2 THR 32 -3.817 12.219 -10.330 240 H THR 33 H THR 33 -4.167 10.523 -6.718 241 HA THR 33 HA THR 33 -5.424 12.502 -4.963 242 HB THR 33 HB THR 33 -7.128 10.748 -6.798 243 HG1 THR 33 HG1 THR 33 -6.140 13.373 -7.164 244 HG21 THR 33 3HG2 THR 33 -8.950 12.277 -6.142 245 HG22 THR 33 1HG2 THR 33 -7.842 13.148 -5.075 246 HG23 THR 33 2HG2 THR 33 -8.264 11.468 -4.732 247 H GLU 34 H GLU 34 -6.359 11.572 -3.110 248 HA GLU 34 HA GLU 34 -5.095 9.124 -2.236 249 HB2 GLU 34 2HB GLU 34 -7.051 10.888 -0.684 250 HB3 GLU 34 3HB GLU 34 -5.994 9.650 -0.011 251 HG2 GLU 34 2HG GLU 34 -5.005 11.736 0.521 252 HG3 GLU 34 3HG GLU 34 -4.019 11.036 -0.755 253 H SER 35 H SER 35 -8.323 10.151 -3.093 254 HA SER 35 HA SER 35 -9.846 7.985 -2.136 255 HB2 SER 35 2HB SER 35 -11.532 8.715 -3.850 256 HB3 SER 35 3HB SER 35 -10.918 10.057 -2.883 257 HG SER 35 HG SER 35 -10.396 9.403 -5.566 258 H GLU 36 H GLU 36 -7.997 8.481 -5.098 259 HA GLU 36 HA GLU 36 -8.995 6.255 -6.539 260 HB2 GLU 36 2HB GLU 36 -6.396 7.781 -6.948 261 HB3 GLU 36 3HB GLU 36 -7.119 6.674 -8.110 262 HG2 GLU 36 2HG GLU 36 -8.164 9.358 -7.203 263 HG3 GLU 36 3HG GLU 36 -7.667 8.881 -8.821 264 H LEU 37 H LEU 37 -6.488 6.573 -4.142 265 HA LEU 37 HA LEU 37 -5.102 4.155 -4.443 266 HB2 LEU 37 2HB LEU 37 -5.790 5.796 -1.987 267 HB3 LEU 37 3HB LEU 37 -4.839 4.327 -1.862 268 HG LEU 37 HG LEU 37 -4.023 6.700 -3.574 269 HD11 LEU 37 1HD1 LEU 37 -3.058 5.979 -0.793 270 HD12 LEU 37 2HD1 LEU 37 -4.082 7.355 -1.208 271 HD13 LEU 37 3HD1 LEU 37 -2.430 7.276 -1.816 272 HD21 LEU 37 3HD2 LEU 37 -3.079 4.566 -4.298 273 HD22 LEU 37 1HD2 LEU 37 -2.491 4.247 -2.662 274 HD23 LEU 37 2HD2 LEU 37 -1.832 5.592 -3.598 275 H GLN 38 H GLN 38 -8.173 4.867 -2.833 276 HA GLN 38 HA GLN 38 -8.550 2.430 -1.495 277 HB2 GLN 38 2HB GLN 38 -9.772 4.597 -1.073 278 HB3 GLN 38 3HB GLN 38 -10.720 4.324 -2.524 279 HG2 GLN 38 2HG GLN 38 -10.712 2.361 -0.217 280 HG3 GLN 38 3HG GLN 38 -11.784 3.754 -0.238 281 HE21 GLN 38 1HE2 GLN 38 -12.411 0.876 -0.247 282 HE22 GLN 38 2HE2 GLN 38 -13.403 0.622 -1.640 283 H LYS 39 H LYS 39 -9.909 3.485 -4.674 284 HA LYS 39 HA LYS 39 -11.106 1.000 -5.334 285 HB2 LYS 39 2HB LYS 39 -10.262 3.326 -7.100 286 HB3 LYS 39 3HB LYS 39 -10.983 1.872 -7.771 287 HG2 LYS 39 2HG LYS 39 -12.769 3.395 -7.609 288 HG3 LYS 39 3HG LYS 39 -12.985 2.313 -6.235 289 HD2 LYS 39 2HD LYS 39 -13.422 4.602 -5.550 290 HD3 LYS 39 3HD LYS 39 -11.952 4.033 -4.755 291 HE2 LYS 39 2HE LYS 39 -11.608 6.301 -5.513 292 HE3 LYS 39 3HE LYS 39 -10.610 5.235 -6.495 293 HZ1 LYS 39 3HZ LYS 39 -12.324 5.375 -8.238 294 HZ2 LYS 39 1HZ LYS 39 -11.663 6.888 -7.860 295 HZ3 LYS 39 2HZ LYS 39 -13.195 6.467 -7.285 296 H VAL 40 H VAL 40 -7.874 2.330 -6.104 297 HA VAL 40 HA VAL 40 -7.279 0.231 -7.966 298 HB VAL 40 HB VAL 40 -6.319 2.634 -8.010 299 HG11 VAL 40 1HG1 VAL 40 -5.385 2.741 -5.756 300 HG12 VAL 40 2HG1 VAL 40 -4.134 3.006 -6.970 301 HG13 VAL 40 3HG1 VAL 40 -4.247 1.449 -6.144 302 HG21 VAL 40 3HG2 VAL 40 -4.443 0.307 -8.538 303 HG22 VAL 40 1HG2 VAL 40 -4.325 1.921 -9.249 304 HG23 VAL 40 2HG2 VAL 40 -5.706 0.890 -9.622 305 H LEU 41 H LEU 41 -6.873 0.597 -4.536 306 HA LEU 41 HA LEU 41 -5.093 -1.691 -4.281 307 HB2 LEU 41 2HB LEU 41 -6.272 0.304 -2.395 308 HB3 LEU 41 3HB LEU 41 -5.973 -1.282 -1.725 309 HG LEU 41 HG LEU 41 -4.106 0.171 -1.229 310 HD11 LEU 41 1HD1 LEU 41 -2.213 -1.152 -2.083 311 HD12 LEU 41 2HD1 LEU 41 -3.267 -1.896 -3.286 312 HD13 LEU 41 3HD1 LEU 41 -3.551 -2.178 -1.567 313 HD21 LEU 41 3HD2 LEU 41 -2.633 1.165 -2.924 314 HD22 LEU 41 1HD2 LEU 41 -4.275 1.801 -3.027 315 HD23 LEU 41 2HD2 LEU 41 -3.718 0.610 -4.205 316 H ASN 42 H ASN 42 -8.555 -1.160 -4.329 317 HA ASN 42 HA ASN 42 -9.431 -3.581 -3.128 318 HB2 ASN 42 2HB ASN 42 -10.767 -1.940 -5.335 319 HB3 ASN 42 3HB ASN 42 -11.544 -3.281 -4.499 320 HD21 ASN 42 1HD2 ASN 42 -12.296 -0.473 -4.668 321 HD22 ASN 42 2HD2 ASN 42 -12.393 0.091 -3.042 322 H GLU 43 H GLU 43 -8.833 -2.756 -6.556 323 HA GLU 43 HA GLU 43 -9.102 -5.426 -7.568 324 HB2 GLU 43 2HB GLU 43 -7.870 -4.497 -9.604 325 HB3 GLU 43 3HB GLU 43 -9.340 -3.637 -9.168 326 HG2 GLU 43 2HG GLU 43 -8.137 -1.791 -8.280 327 HG3 GLU 43 3HG GLU 43 -6.628 -2.689 -8.234 328 H LEU 44 H LEU 44 -6.281 -3.463 -6.570 329 HA LEU 44 HA LEU 44 -4.262 -5.218 -7.477 330 HB2 LEU 44 2HB LEU 44 -3.931 -2.805 -7.003 331 HB3 LEU 44 3HB LEU 44 -4.108 -3.118 -5.286 332 HG LEU 44 HG LEU 44 -2.027 -4.402 -5.263 333 HD11 LEU 44 1HD1 LEU 44 -0.571 -4.563 -7.242 334 HD12 LEU 44 2HD1 LEU 44 -1.857 -3.892 -8.242 335 HD13 LEU 44 3HD1 LEU 44 -2.083 -5.446 -7.440 336 HD21 LEU 44 3HD2 LEU 44 -1.871 -1.987 -4.901 337 HD22 LEU 44 1HD2 LEU 44 -1.669 -1.716 -6.634 338 HD23 LEU 44 2HD2 LEU 44 -0.432 -2.582 -5.721 339 H LYS 45 H LYS 45 -6.063 -5.102 -4.506 340 HA LYS 45 HA LYS 45 -4.686 -6.660 -2.716 341 HB2 LYS 45 2HB LYS 45 -6.718 -5.607 -2.079 342 HB3 LYS 45 3HB LYS 45 -7.632 -6.371 -3.370 343 HG2 LYS 45 2HG LYS 45 -7.634 -8.489 -2.204 344 HG3 LYS 45 3HG LYS 45 -6.507 -7.872 -0.993 345 HD2 LYS 45 2HD LYS 45 -8.931 -7.981 -0.257 346 HD3 LYS 45 3HD LYS 45 -8.142 -6.421 -0.047 347 HE2 LYS 45 2HE LYS 45 -10.439 -6.179 -0.894 348 HE3 LYS 45 3HE LYS 45 -9.264 -5.553 -2.049 349 HZ1 LYS 45 3HZ LYS 45 -10.981 -6.820 -3.150 350 HZ2 LYS 45 1HZ LYS 45 -10.654 -8.181 -2.197 351 HZ3 LYS 45 2HZ LYS 45 -9.506 -7.626 -3.312 352 H ASP 46 H ASP 46 -6.879 -7.811 -5.262 353 HA ASP 46 HA ASP 46 -6.570 -10.607 -4.695 354 HB2 ASP 46 2HB ASP 46 -7.747 -9.177 -7.115 355 HB3 ASP 46 3HB ASP 46 -7.934 -10.888 -6.770 356 H TYR 47 H TYR 47 -5.027 -8.324 -6.878 357 HA TYR 47 HA TYR 47 -3.739 -10.221 -8.587 358 HB2 TYR 47 2HB TYR 47 -2.988 -7.321 -8.044 359 HB3 TYR 47 3HB TYR 47 -2.395 -8.291 -9.390 360 HD1 TYR 47 HD2 TYR 47 -5.277 -9.592 -9.911 361 HD2 TYR 47 HD1 TYR 47 -3.861 -5.577 -9.506 362 HE1 TYR 47 HE2 TYR 47 -7.153 -8.781 -11.291 363 HE2 TYR 47 HE1 TYR 47 -5.734 -4.780 -10.871 364 HH TYR 47 HH TYR 47 -8.425 -6.656 -11.599 365 H ILE 48 H ILE 48 -2.693 -8.375 -5.763 366 HA ILE 48 HA ILE 48 -0.027 -9.296 -5.529 367 HB ILE 48 HB ILE 48 -1.945 -8.166 -3.429 368 HG12 ILE 48 2HG1 ILE 48 0.420 -6.832 -4.827 369 HG13 ILE 48 3HG1 ILE 48 -1.273 -6.569 -5.231 370 HG21 ILE 48 1HG2 ILE 48 -0.263 -9.541 -2.273 371 HG22 ILE 48 2HG2 ILE 48 -0.021 -7.831 -1.930 372 HG23 ILE 48 3HG2 ILE 48 1.034 -8.654 -3.079 373 HD11 ILE 48 3HD1 ILE 48 -0.438 -4.745 -3.898 374 HD12 ILE 48 1HD1 ILE 48 0.065 -5.855 -2.620 375 HD13 ILE 48 2HD1 ILE 48 -1.650 -5.639 -2.985 376 H LYS 49 H LYS 49 -3.119 -10.427 -4.234 377 HA LYS 49 HA LYS 49 -2.312 -12.339 -2.377 378 HB2 LYS 49 2HB LYS 49 -4.632 -11.469 -2.721 379 HB3 LYS 49 3HB LYS 49 -4.754 -12.400 -4.205 380 HG2 LYS 49 2HG LYS 49 -4.590 -14.496 -2.901 381 HG3 LYS 49 3HG LYS 49 -4.450 -13.554 -1.411 382 HD2 LYS 49 2HD LYS 49 -6.711 -12.574 -1.847 383 HD3 LYS 49 3HD LYS 49 -6.846 -13.572 -3.295 384 HE2 LYS 49 2HE LYS 49 -6.722 -15.606 -1.896 385 HE3 LYS 49 3HE LYS 49 -6.603 -14.598 -0.452 386 HZ1 LYS 49 3HZ LYS 49 -8.905 -14.584 -2.333 387 HZ2 LYS 49 1HZ LYS 49 -8.788 -13.723 -0.881 388 HZ3 LYS 49 2HZ LYS 49 -8.866 -15.412 -0.859 389 H LYS 50 H LYS 50 -3.007 -12.706 -5.820 390 HA LYS 50 HA LYS 50 -2.519 -15.523 -5.995 391 HB2 LYS 50 2HB LYS 50 -4.077 -14.282 -7.478 392 HB3 LYS 50 3HB LYS 50 -2.725 -13.379 -8.149 393 HG2 LYS 50 2HG LYS 50 -1.786 -15.553 -9.018 394 HG3 LYS 50 3HG LYS 50 -3.255 -16.354 -8.450 395 HD2 LYS 50 2HD LYS 50 -3.438 -15.864 -10.849 396 HD3 LYS 50 3HD LYS 50 -4.616 -14.909 -9.946 397 HE2 LYS 50 2HE LYS 50 -3.136 -12.940 -10.090 398 HE3 LYS 50 3HE LYS 50 -1.936 -13.893 -10.967 399 HZ1 LYS 50 3HZ LYS 50 -4.692 -13.289 -11.904 400 HZ2 LYS 50 1HZ LYS 50 -3.550 -14.218 -12.737 401 HZ3 LYS 50 2HZ LYS 50 -3.269 -12.575 -12.471 402 H GLN 51 H GLN 51 -0.665 -12.607 -6.850 403 HA GLN 51 HA GLN 51 1.627 -14.061 -7.907 404 HB2 GLN 51 2HB GLN 51 0.836 -11.925 -8.908 405 HB3 GLN 51 3HB GLN 51 1.155 -11.090 -7.396 406 HG2 GLN 51 2HG GLN 51 2.883 -10.581 -9.012 407 HG3 GLN 51 3HG GLN 51 3.570 -11.511 -7.681 408 HE21 GLN 51 1HE2 GLN 51 4.261 -13.661 -8.079 409 HE22 GLN 51 2HE2 GLN 51 4.521 -14.246 -9.683 410 H GLY 52 H GLY 52 0.568 -13.307 -4.822 411 HA2 GLY 52 2HA GLY 52 3.074 -12.786 -3.483 412 HA3 GLY 52 3HA GLY 52 1.526 -13.161 -2.739 413 H CYS 53 H CYS 53 4.174 -14.602 -4.542 414 HA CYS 53 HA CYS 53 3.580 -17.309 -4.182 415 HB2 CYS 53 2HB CYS 53 6.340 -16.079 -4.516 416 HB3 CYS 53 3HB CYS 53 5.848 -17.711 -4.969 417 H LYS 54 H LYS 54 5.515 -15.080 -2.241 418 HA LYS 54 HA LYS 54 5.208 -16.790 0.107 419 HB2 LYS 54 2HB LYS 54 7.435 -17.375 -0.988 420 HB3 LYS 54 3HB LYS 54 7.954 -15.722 -0.683 421 HG2 LYS 54 2HG LYS 54 8.852 -17.167 1.040 422 HG3 LYS 54 3HG LYS 54 7.637 -16.110 1.761 423 HD2 LYS 54 2HD LYS 54 5.971 -17.990 1.572 424 HD3 LYS 54 3HD LYS 54 7.270 -19.033 0.988 425 HE2 LYS 54 2HE LYS 54 6.885 -19.423 3.362 426 HE3 LYS 54 3HE LYS 54 8.476 -18.693 3.137 427 HZ1 LYS 54 3HZ LYS 54 6.019 -17.219 3.941 428 HZ2 LYS 54 1HZ LYS 54 7.578 -16.574 3.811 429 HZ3 LYS 54 2HZ LYS 54 7.237 -17.729 4.996 430 H ARG 55 H ARG 55 6.934 -13.780 -0.911 431 HA ARG 55 HA ARG 55 5.187 -12.208 0.872 432 HB2 ARG 55 2HB ARG 55 7.118 -10.835 1.668 433 HB3 ARG 55 3HB ARG 55 7.213 -12.505 2.207 434 HG2 ARG 55 2HG ARG 55 8.926 -13.010 0.581 435 HG3 ARG 55 3HG ARG 55 8.750 -11.427 -0.179 436 HD2 ARG 55 2HD ARG 55 10.762 -11.579 1.256 437 HD3 ARG 55 3HD ARG 55 9.640 -10.338 1.813 438 HE ARG 55 HE ARG 55 8.970 -12.544 3.274 439 HH11 ARG 55 1HH1 ARG 55 12.002 -10.803 2.801 440 HH12 ARG 55 2HH1 ARG 55 12.602 -11.198 4.382 441 HH21 ARG 55 1HH2 ARG 55 9.773 -13.005 5.353 442 HH22 ARG 55 2HH2 ARG 55 11.346 -12.442 5.820 443 H SER 56 H SER 56 4.980 -10.013 0.331 444 HA SER 56 HA SER 56 6.128 -9.031 -2.186 445 HB2 SER 56 2HB SER 56 3.789 -8.084 -2.726 446 HB3 SER 56 3HB SER 56 3.978 -9.832 -2.898 447 HG SER 56 HG SER 56 2.657 -8.382 -0.869 448 H ARG 57 H ARG 57 7.124 -7.133 -1.746 449 HA ARG 57 HA ARG 57 6.581 -5.729 0.765 450 HB2 ARG 57 2HB ARG 57 8.904 -6.394 0.236 451 HB3 ARG 57 3HB ARG 57 8.861 -5.440 -1.240 452 HG2 ARG 57 2HG ARG 57 8.844 -3.379 -0.024 453 HG3 ARG 57 3HG ARG 57 8.484 -4.198 1.499 454 HD2 ARG 57 2HD ARG 57 10.830 -3.489 1.429 455 HD3 ARG 57 3HD ARG 57 10.715 -5.248 1.479 456 HE ARG 57 HE ARG 57 11.534 -3.592 -0.829 457 HH11 ARG 57 1HH1 ARG 57 11.233 -6.815 0.589 458 HH12 ARG 57 2HH1 ARG 57 12.246 -7.559 -0.612 459 HH21 ARG 57 1HH2 ARG 57 12.863 -4.601 -2.387 460 HH22 ARG 57 2HH2 ARG 57 13.161 -6.306 -2.288 461 H THR 58 H THR 58 5.114 -4.181 0.643 462 HA THR 58 HA THR 58 4.661 -2.676 -1.840 463 HB THR 58 HB THR 58 2.897 -2.516 0.641 464 HG1 THR 58 HG1 THR 58 3.237 -4.751 0.031 465 HG21 THR 58 3HG2 THR 58 2.302 -2.277 -2.343 466 HG22 THR 58 1HG2 THR 58 2.415 -0.930 -1.206 467 HG23 THR 58 2HG2 THR 58 1.117 -2.115 -1.044 468 H SER 59 H SER 59 4.706 -0.432 -1.852 469 HA SER 59 HA SER 59 5.550 1.071 0.506 470 HB2 SER 59 2HB SER 59 7.710 0.464 -0.424 471 HB3 SER 59 3HB SER 59 7.189 0.850 -2.063 472 HG SER 59 HG SER 59 7.031 3.036 -1.388 473 H ILE 60 H ILE 60 4.585 3.031 0.521 474 HA ILE 60 HA ILE 60 3.346 4.073 -1.966 475 HB ILE 60 HB ILE 60 2.203 4.013 0.858 476 HG12 ILE 60 2HG1 ILE 60 1.143 3.101 -1.853 477 HG13 ILE 60 3HG1 ILE 60 1.550 2.091 -0.471 478 HG21 ILE 60 1HG2 ILE 60 1.221 5.788 -1.395 479 HG22 ILE 60 2HG2 ILE 60 1.993 6.334 0.093 480 HG23 ILE 60 3HG2 ILE 60 0.414 5.557 0.156 481 HD11 ILE 60 3HD1 ILE 60 -0.784 3.992 -0.697 482 HD12 ILE 60 1HD1 ILE 60 -0.347 3.107 0.770 483 HD13 ILE 60 2HD1 ILE 60 -0.824 2.229 -0.683 484 H THR 61 H THR 61 3.978 6.042 -2.527 485 HA THR 61 HA THR 61 5.842 7.607 -1.016 486 HB THR 61 HB THR 61 4.254 8.378 -3.508 487 HG1 THR 61 HG1 THR 61 5.888 6.477 -3.419 488 HG21 THR 61 3HG2 THR 61 6.023 10.051 -3.904 489 HG22 THR 61 1HG2 THR 61 6.809 9.593 -2.387 490 HG23 THR 61 2HG2 THR 61 5.220 10.355 -2.364 491 H ALA 62 H ALA 62 5.174 8.619 0.746 492 HA ALA 62 HA ALA 62 2.813 10.401 0.701 493 HB1 ALA 62 3HB ALA 62 4.265 9.141 3.065 494 HB2 ALA 62 1HB ALA 62 2.648 8.734 2.493 495 HB3 ALA 62 2HB ALA 62 2.959 10.324 3.193 496 H ARG 63 H ARG 63 3.331 12.545 1.759 497 HA ARG 63 HA ARG 63 6.122 13.339 1.130 498 HB2 ARG 63 2HB ARG 63 3.627 15.075 1.297 499 HB3 ARG 63 3HB ARG 63 5.234 15.622 0.844 500 HG2 ARG 63 2HG ARG 63 3.691 13.544 -0.738 501 HG3 ARG 63 3HG ARG 63 3.608 15.268 -1.074 502 HD2 ARG 63 2HD ARG 63 5.166 14.276 -2.599 503 HD3 ARG 63 3HD ARG 63 6.074 15.264 -1.453 504 HE ARG 63 HE ARG 63 6.075 12.655 -0.494 505 HH11 ARG 63 1HH1 ARG 63 7.315 14.303 -3.362 506 HH12 ARG 63 2HH1 ARG 63 8.647 13.207 -3.552 507 HH21 ARG 63 1HH2 ARG 63 7.880 11.300 -0.694 508 HH22 ARG 63 2HH2 ARG 63 8.962 11.505 -2.037 509 H THR 64 H THR 64 3.619 13.405 3.549 510 HA THR 64 HA THR 64 5.580 14.155 5.637 511 HB THR 64 HB THR 64 3.734 15.205 6.900 512 HG1 THR 64 HG1 THR 64 2.087 14.783 4.605 513 HG21 THR 64 3HG2 THR 64 3.278 17.176 5.453 514 HG22 THR 64 1HG2 THR 64 3.881 16.280 4.054 515 HG23 THR 64 2HG2 THR 64 4.974 16.695 5.379 516 H LYS 65 H LYS 65 5.027 13.160 7.767 517 HA LYS 65 HA LYS 65 4.473 10.379 7.536 518 HB2 LYS 65 2HB LYS 65 4.737 12.107 10.030 519 HB3 LYS 65 3HB LYS 65 4.653 10.348 10.035 520 HG2 LYS 65 2HG LYS 65 6.736 10.324 8.607 521 HG3 LYS 65 3HG LYS 65 6.864 12.063 8.864 522 HD2 LYS 65 2HD LYS 65 7.023 9.870 10.964 523 HD3 LYS 65 3HD LYS 65 8.326 10.934 10.435 524 HE2 LYS 65 2HE LYS 65 5.873 11.704 12.044 525 HE3 LYS 65 3HE LYS 65 7.546 11.690 12.589 526 HZ1 LYS 65 3HZ LYS 65 6.879 13.924 12.127 527 HZ2 LYS 65 1HZ LYS 65 6.374 13.519 10.565 528 HZ3 LYS 65 2HZ LYS 65 8.010 13.456 10.966 529 H LYS 66 H LYS 66 2.489 13.134 8.313 530 HA LYS 66 HA LYS 66 0.265 11.859 9.498 531 HB2 LYS 66 2HB LYS 66 0.693 14.337 9.511 532 HB3 LYS 66 3HB LYS 66 0.306 14.398 7.796 533 HG2 LYS 66 2HG LYS 66 -1.578 15.183 9.159 534 HG3 LYS 66 3HG LYS 66 -2.010 13.717 8.279 535 HD2 LYS 66 2HD LYS 66 -1.684 12.373 10.315 536 HD3 LYS 66 3HD LYS 66 -1.190 13.814 11.208 537 HE2 LYS 66 2HE LYS 66 -3.419 14.772 10.982 538 HE3 LYS 66 3HE LYS 66 -3.924 13.441 9.936 539 HZ1 LYS 66 3HZ LYS 66 -4.725 13.076 12.158 540 HZ2 LYS 66 1HZ LYS 66 -3.169 13.229 12.808 541 HZ3 LYS 66 2HZ LYS 66 -3.546 11.918 11.808 542 H GLU 67 H GLU 67 1.271 12.218 6.159 543 HA GLU 67 HA GLU 67 -1.156 11.064 5.046 544 HB2 GLU 67 2HB GLU 67 1.536 11.677 3.754 545 HB3 GLU 67 3HB GLU 67 0.078 11.183 2.889 546 HG2 GLU 67 2HG GLU 67 -1.078 13.212 3.561 547 HG3 GLU 67 3HG GLU 67 0.280 13.687 4.583 548 H ALA 68 H ALA 68 2.065 10.003 5.998 549 HA ALA 68 HA ALA 68 2.063 7.484 4.701 550 HB1 ALA 68 3HB ALA 68 3.978 6.944 6.144 551 HB2 ALA 68 1HB ALA 68 3.629 8.346 7.164 552 HB3 ALA 68 2HB ALA 68 4.126 8.572 5.487 553 H GLU 69 H GLU 69 0.727 8.569 7.798 554 HA GLU 69 HA GLU 69 0.339 5.930 8.909 555 HB2 GLU 69 2HB GLU 69 -0.907 7.047 10.717 556 HB3 GLU 69 3HB GLU 69 0.626 7.854 10.419 557 HG2 GLU 69 2HG GLU 69 -0.541 9.626 9.169 558 HG3 GLU 69 3HG GLU 69 -2.074 8.807 9.439 559 H LYS 70 H LYS 70 -1.719 8.231 7.133 560 HA LYS 70 HA LYS 70 -4.126 6.684 7.498 561 HB2 LYS 70 2HB LYS 70 -5.209 8.274 6.010 562 HB3 LYS 70 3HB LYS 70 -4.215 9.133 7.173 563 HG2 LYS 70 2HG LYS 70 -2.475 9.463 5.411 564 HG3 LYS 70 3HG LYS 70 -3.523 8.654 4.249 565 HD2 LYS 70 2HD LYS 70 -5.260 10.424 4.611 566 HD3 LYS 70 3HD LYS 70 -4.165 11.245 5.725 567 HE2 LYS 70 2HE LYS 70 -2.535 11.522 3.854 568 HE3 LYS 70 3HE LYS 70 -3.701 10.783 2.757 569 HZ1 LYS 70 3HZ LYS 70 -5.247 12.596 3.325 570 HZ2 LYS 70 1HZ LYS 70 -3.835 13.159 2.591 571 HZ3 LYS 70 2HZ LYS 70 -4.043 13.322 4.255 572 H PHE 71 H PHE 71 -1.543 6.757 5.158 573 HA PHE 71 HA PHE 71 -2.869 4.914 3.331 574 HB2 PHE 71 2HB PHE 71 -0.064 6.009 3.288 575 HB3 PHE 71 3HB PHE 71 -0.794 5.013 2.026 576 HD1 PHE 71 HD1 PHE 71 -3.585 6.828 2.705 577 HD2 PHE 71 HD2 PHE 71 0.342 7.449 1.353 578 HE1 PHE 71 HE1 PHE 71 -4.321 8.874 1.539 579 HE2 PHE 71 HE2 PHE 71 -0.346 9.513 0.199 580 HZ PHE 71 HZ PHE 71 -2.689 10.225 0.285 581 H ALA 72 H ALA 72 -0.707 4.741 6.060 582 HA ALA 72 HA ALA 72 0.116 2.051 5.856 583 HB1 ALA 72 3HB ALA 72 0.947 3.533 7.651 584 HB2 ALA 72 1HB ALA 72 0.253 2.056 8.324 585 HB3 ALA 72 2HB ALA 72 -0.656 3.567 8.385 586 H ALA 73 H ALA 73 -2.838 3.572 7.109 587 HA ALA 73 HA ALA 73 -4.284 1.297 7.839 588 HB1 ALA 73 3HB ALA 73 -5.369 3.923 6.752 589 HB2 ALA 73 1HB ALA 73 -4.963 3.584 8.432 590 HB3 ALA 73 2HB ALA 73 -6.291 2.717 7.658 591 H ILE 74 H ILE 74 -4.011 2.889 4.665 592 HA ILE 74 HA ILE 74 -5.830 1.377 3.162 593 HB ILE 74 HB ILE 74 -3.234 2.790 2.348 594 HG12 ILE 74 2HG1 ILE 74 -6.187 3.523 2.021 595 HG13 ILE 74 3HG1 ILE 74 -5.069 4.232 3.180 596 HG21 ILE 74 1HG2 ILE 74 -3.646 1.018 0.686 597 HG22 ILE 74 2HG2 ILE 74 -3.968 2.604 -0.011 598 HG23 ILE 74 3HG2 ILE 74 -5.310 1.566 0.480 599 HD11 ILE 74 3HD1 ILE 74 -4.924 4.479 0.183 600 HD12 ILE 74 1HD1 ILE 74 -3.738 5.152 1.317 601 HD13 ILE 74 2HD1 ILE 74 -5.415 5.720 1.331 602 H LEU 75 H LEU 75 -2.301 0.809 3.466 603 HA LEU 75 HA LEU 75 -2.264 -1.652 2.081 604 HB2 LEU 75 2HB LEU 75 -0.266 -0.521 4.059 605 HB3 LEU 75 3HB LEU 75 0.045 -1.875 2.985 606 HG LEU 75 HG LEU 75 -0.460 1.007 2.160 607 HD11 LEU 75 1HD1 LEU 75 2.042 -0.702 1.943 608 HD12 LEU 75 2HD1 LEU 75 1.783 0.638 3.062 609 HD13 LEU 75 3HD1 LEU 75 1.860 0.943 1.329 610 HD21 LEU 75 3HD2 LEU 75 -1.522 -0.449 0.518 611 HD22 LEU 75 1HD2 LEU 75 -0.057 -1.428 0.382 612 HD23 LEU 75 2HD2 LEU 75 -0.060 0.248 -0.172 613 H ILE 76 H ILE 76 -2.554 -0.998 5.563 614 HA ILE 76 HA ILE 76 -2.231 -3.690 6.450 615 HB ILE 76 HB ILE 76 -3.121 -1.124 7.768 616 HG12 ILE 76 2HG1 ILE 76 -1.364 -1.770 9.457 617 HG13 ILE 76 3HG1 ILE 76 -1.061 -3.241 8.544 618 HG21 ILE 76 1HG2 ILE 76 -4.839 -2.646 8.617 619 HG22 ILE 76 2HG2 ILE 76 -3.703 -2.233 9.899 620 HG23 ILE 76 3HG2 ILE 76 -3.604 -3.806 9.105 621 HD11 ILE 76 3HD1 ILE 76 0.640 -1.595 8.119 622 HD12 ILE 76 1HD1 ILE 76 -0.573 -0.416 7.618 623 HD13 ILE 76 2HD1 ILE 76 -0.293 -1.865 6.650 624 H LYS 77 H LYS 77 -5.053 -1.747 5.485 625 HA LYS 77 HA LYS 77 -7.079 -3.578 6.325 626 HB2 LYS 77 2HB LYS 77 -6.951 -1.026 4.847 627 HB3 LYS 77 3HB LYS 77 -8.151 -2.095 4.155 628 HG2 LYS 77 2HG LYS 77 -9.442 -0.909 5.645 629 HG3 LYS 77 3HG LYS 77 -9.026 -2.298 6.638 630 HD2 LYS 77 2HD LYS 77 -7.656 0.426 6.751 631 HD3 LYS 77 3HD LYS 77 -8.913 -0.110 7.858 632 HE2 LYS 77 2HE LYS 77 -6.134 -1.298 7.580 633 HE3 LYS 77 3HE LYS 77 -6.721 -0.308 8.911 634 HZ1 LYS 77 3HZ LYS 77 -6.709 -2.665 9.446 635 HZ2 LYS 77 1HZ LYS 77 -7.789 -2.976 8.185 636 HZ3 LYS 77 2HZ LYS 77 -8.274 -2.035 9.498 637 H VAL 78 H VAL 78 -5.490 -3.032 3.189 638 HA VAL 78 HA VAL 78 -6.780 -4.985 1.627 639 HB VAL 78 HB VAL 78 -3.989 -3.759 1.435 640 HG11 VAL 78 1HG1 VAL 78 -3.870 -4.559 -0.908 641 HG12 VAL 78 2HG1 VAL 78 -5.355 -5.480 -0.663 642 HG13 VAL 78 3HG1 VAL 78 -3.902 -5.898 0.241 643 HG21 VAL 78 3HG2 VAL 78 -5.877 -2.194 1.184 644 HG22 VAL 78 1HG2 VAL 78 -6.537 -3.187 -0.118 645 HG23 VAL 78 2HG2 VAL 78 -4.989 -2.365 -0.330 646 H TYR 79 H TYR 79 -3.692 -5.166 3.398 647 HA TYR 79 HA TYR 79 -3.229 -7.921 2.771 648 HB2 TYR 79 2HB TYR 79 -1.794 -5.842 4.415 649 HB3 TYR 79 3HB TYR 79 -1.358 -7.533 4.630 650 HD1 TYR 79 HD2 TYR 79 -1.797 -4.972 1.889 651 HD2 TYR 79 HD1 TYR 79 0.243 -8.493 3.200 652 HE1 TYR 79 HE2 TYR 79 -0.361 -4.895 -0.110 653 HE2 TYR 79 HE1 TYR 79 1.665 -8.416 1.204 654 HH TYR 79 HH TYR 79 1.547 -5.739 -1.054 655 H ALA 80 H ALA 80 -5.023 -6.368 5.300 656 HA ALA 80 HA ALA 80 -5.067 -8.526 7.177 657 HB1 ALA 80 3HB ALA 80 -7.198 -6.420 6.664 658 HB2 ALA 80 1HB ALA 80 -5.842 -6.266 7.781 659 HB3 ALA 80 2HB ALA 80 -7.096 -7.470 8.082 660 H GLU 81 H GLU 81 -6.980 -7.725 4.307 661 HA GLU 81 HA GLU 81 -8.796 -9.947 4.486 662 HB2 GLU 81 2HB GLU 81 -8.048 -8.133 2.154 663 HB3 GLU 81 3HB GLU 81 -9.354 -9.316 2.107 664 HG2 GLU 81 2HG GLU 81 -10.544 -8.131 3.882 665 HG3 GLU 81 3HG GLU 81 -9.209 -6.995 4.049 666 H LEU 82 H LEU 82 -5.590 -9.481 3.208 667 HA LEU 82 HA LEU 82 -5.540 -11.955 1.686 668 HB2 LEU 82 2HB LEU 82 -3.217 -10.132 2.449 669 HB3 LEU 82 3HB LEU 82 -3.177 -11.422 1.258 670 HG LEU 82 HG LEU 82 -4.673 -8.789 1.049 671 HD11 LEU 82 1HD1 LEU 82 -3.269 -8.380 -0.913 672 HD12 LEU 82 2HD1 LEU 82 -2.443 -9.919 -0.667 673 HD13 LEU 82 3HD1 LEU 82 -2.285 -8.631 0.530 674 HD21 LEU 82 3HD2 LEU 82 -5.444 -9.572 -1.188 675 HD22 LEU 82 1HD2 LEU 82 -6.150 -10.464 0.161 676 HD23 LEU 82 2HD2 LEU 82 -4.852 -11.185 -0.790 677 H GLY 83 H GLY 83 -4.864 -10.956 4.925 678 HA2 GLY 83 2HA GLY 83 -3.926 -13.673 5.645 679 HA3 GLY 83 3HA GLY 83 -3.120 -12.234 6.270 680 H TYR 84 H TYR 84 -3.795 -11.553 8.208 681 HA TYR 84 HA TYR 84 -6.595 -11.638 9.015 682 HB2 TYR 84 2HB TYR 84 -5.739 -13.883 9.690 683 HB3 TYR 84 3HB TYR 84 -4.436 -13.127 10.590 684 HD1 TYR 84 HD2 TYR 84 -8.114 -13.725 10.535 685 HD2 TYR 84 HD1 TYR 84 -4.826 -12.279 12.858 686 HE1 TYR 84 HE2 TYR 84 -9.530 -13.700 12.538 687 HE2 TYR 84 HE1 TYR 84 -6.258 -12.265 14.862 688 HH TYR 84 HH TYR 84 -8.682 -12.138 15.399 689 H ASN 85 H ASN 85 -3.492 -11.412 10.718 690 HA ASN 85 HA ASN 85 -3.542 -8.513 10.991 691 HB2 ASN 85 2HB ASN 85 -5.052 -9.349 12.853 692 HB3 ASN 85 3HB ASN 85 -3.707 -10.296 13.482 693 HD21 ASN 85 1HD2 ASN 85 -3.456 -9.274 15.429 694 HD22 ASN 85 2HD2 ASN 85 -3.039 -7.606 15.610 695 H ASP 86 H ASP 86 -1.967 -10.854 9.973 696 HA ASP 86 HA ASP 86 0.496 -10.996 11.515 697 HB2 ASP 86 2HB ASP 86 1.144 -12.592 9.603 698 HB3 ASP 86 3HB ASP 86 -0.222 -13.077 10.600 699 H ILE 87 H ILE 87 -0.025 -8.412 10.618 700 HA ILE 87 HA ILE 87 1.392 -7.971 8.081 701 HB ILE 87 HB ILE 87 -0.270 -5.952 9.669 702 HG12 ILE 87 2HG1 ILE 87 -1.818 -7.758 9.224 703 HG13 ILE 87 3HG1 ILE 87 -2.161 -6.506 8.040 704 HG21 ILE 87 1HG2 ILE 87 -0.462 -4.794 7.497 705 HG22 ILE 87 2HG2 ILE 87 0.547 -6.030 6.743 706 HG23 ILE 87 3HG2 ILE 87 1.222 -4.978 7.989 707 HD11 ILE 87 3HD1 ILE 87 -2.276 -8.644 6.973 708 HD12 ILE 87 1HD1 ILE 87 -0.683 -9.097 7.578 709 HD13 ILE 87 2HD1 ILE 87 -0.840 -7.817 6.372 710 H ASN 88 H ASN 88 3.545 -7.707 8.453 711 HA ASN 88 HA ASN 88 4.526 -6.108 10.707 712 HB2 ASN 88 2HB ASN 88 5.997 -7.578 8.477 713 HB3 ASN 88 3HB ASN 88 6.812 -6.593 9.689 714 HD21 ASN 88 1HD2 ASN 88 7.259 -9.366 9.230 715 HD22 ASN 88 2HD2 ASN 88 6.811 -10.211 10.668 716 H VAL 89 H VAL 89 4.939 -4.030 10.564 717 HA VAL 89 HA VAL 89 4.725 -2.618 7.961 718 HB VAL 89 HB VAL 89 4.195 -1.397 10.722 719 HG11 VAL 89 1HG1 VAL 89 4.649 0.229 8.915 720 HG12 VAL 89 2HG1 VAL 89 2.982 0.352 9.479 721 HG13 VAL 89 3HG1 VAL 89 3.337 -0.459 7.952 722 HG21 VAL 89 3HG2 VAL 89 1.787 -1.725 10.367 723 HG22 VAL 89 1HG2 VAL 89 2.632 -3.273 10.413 724 HG23 VAL 89 2HG2 VAL 89 2.108 -2.599 8.869 725 H THR 90 H THR 90 6.294 -1.105 7.450 726 HA THR 90 HA THR 90 8.372 -0.368 9.413 727 HB THR 90 HB THR 90 8.807 -0.844 6.419 728 HG1 THR 90 HG1 THR 90 8.623 -2.754 7.798 729 HG21 THR 90 3HG2 THR 90 11.191 -0.440 6.897 730 HG22 THR 90 1HG2 THR 90 10.813 -0.083 8.583 731 HG23 THR 90 2HG2 THR 90 10.234 0.984 7.302 732 H TRP 91 H TRP 91 8.620 1.800 9.613 733 HA TRP 91 HA TRP 91 7.220 3.594 7.694 734 HB2 TRP 91 2HB TRP 91 6.415 3.423 10.174 735 HB3 TRP 91 3HB TRP 91 7.881 4.298 10.585 736 HD1 TRP 91 HD1 TRP 91 7.611 6.382 7.976 737 HE1 TRP 91 HE1 TRP 91 5.882 8.269 8.189 738 HE3 TRP 91 HE3 TRP 91 4.663 4.391 11.662 739 HZ2 TRP 91 HZ2 TRP 91 3.594 8.848 9.720 740 HZ3 TRP 91 HZ3 TRP 91 2.719 5.688 12.442 741 HH2 TRP 91 HH2 TRP 91 2.196 7.874 11.487 742 H ASP 92 H ASP 92 8.865 4.130 6.310 743 HA ASP 92 HA ASP 92 11.471 4.990 7.394 744 HB2 ASP 92 2HB ASP 92 11.492 3.197 5.660 745 HB3 ASP 92 3HB ASP 92 10.690 4.283 4.534 746 H GLY 93 H GLY 93 10.143 6.822 8.175 747 HA2 GLY 93 2HA GLY 93 9.843 9.074 8.243 748 HA3 GLY 93 3HA GLY 93 10.837 9.183 6.804 749 H ASP 94 H ASP 94 9.882 9.365 4.815 750 HA ASP 94 HA ASP 94 7.103 10.328 4.813 751 HB2 ASP 94 2HB ASP 94 7.637 11.440 2.738 752 HB3 ASP 94 3HB ASP 94 8.998 11.711 3.818 753 H THR 95 H THR 95 8.688 7.421 4.162 754 HA THR 95 HA THR 95 6.734 6.635 2.069 755 HB THR 95 HB THR 95 9.363 5.164 2.523 756 HG1 THR 95 HG1 THR 95 9.309 7.685 1.861 757 HG21 THR 95 3HG2 THR 95 7.694 4.079 1.092 758 HG22 THR 95 1HG2 THR 95 9.080 4.609 0.138 759 HG23 THR 95 2HG2 THR 95 7.579 5.536 0.099 760 H VAL 96 H VAL 96 5.191 5.245 2.801 761 HA VAL 96 HA VAL 96 5.691 3.692 5.257 762 HB VAL 96 HB VAL 96 3.617 4.977 5.290 763 HG11 VAL 96 1HG1 VAL 96 2.687 3.392 2.876 764 HG12 VAL 96 2HG1 VAL 96 3.098 5.108 2.901 765 HG13 VAL 96 3HG1 VAL 96 1.706 4.524 3.816 766 HG21 VAL 96 3HG2 VAL 96 3.683 2.859 6.524 767 HG22 VAL 96 1HG2 VAL 96 3.060 1.994 5.117 768 HG23 VAL 96 2HG2 VAL 96 2.053 3.187 5.941 769 H THR 97 H THR 97 5.852 1.526 5.271 770 HA THR 97 HA THR 97 5.827 0.041 2.702 771 HB THR 97 HB THR 97 8.026 -0.049 4.833 772 HG1 THR 97 HG1 THR 97 7.654 1.596 2.707 773 HG21 THR 97 3HG2 THR 97 7.927 -1.412 2.111 774 HG22 THR 97 1HG2 THR 97 7.741 -2.230 3.663 775 HG23 THR 97 2HG2 THR 97 9.274 -1.459 3.251 776 H VAL 98 H VAL 98 5.028 -2.031 2.835 777 HA VAL 98 HA VAL 98 4.545 -3.298 5.460 778 HB VAL 98 HB VAL 98 2.458 -2.898 3.262 779 HG11 VAL 98 1HG1 VAL 98 2.266 -4.792 5.635 780 HG12 VAL 98 2HG1 VAL 98 2.307 -5.246 3.930 781 HG13 VAL 98 3HG1 VAL 98 0.926 -4.355 4.569 782 HG21 VAL 98 3HG2 VAL 98 2.448 -2.193 6.220 783 HG22 VAL 98 1HG2 VAL 98 1.105 -1.933 5.103 784 HG23 VAL 98 2HG2 VAL 98 2.622 -1.063 4.876 785 H GLU 99 H GLU 99 5.658 -5.114 5.438 786 HA GLU 99 HA GLU 99 5.351 -7.110 3.344 787 HB2 GLU 99 2HB GLU 99 7.316 -5.939 2.492 788 HB3 GLU 99 3HB GLU 99 8.073 -5.945 4.077 789 HG2 GLU 99 2HG GLU 99 8.195 -8.446 3.954 790 HG3 GLU 99 3HG GLU 99 7.568 -8.365 2.314 791 H GLY 100 H GLY 100 5.255 -9.140 4.310 792 HA2 GLY 100 2HA GLY 100 6.601 -10.809 5.376 793 HA3 GLY 100 3HA GLY 100 7.087 -9.642 6.586 794 H GLN 101 H GLN 101 6.474 -11.879 7.567 795 HA GLN 101 HA GLN 101 3.622 -12.117 8.305 796 HB2 GLN 101 2HB GLN 101 4.437 -14.125 7.263 797 HB3 GLN 101 3HB GLN 101 5.940 -14.088 8.174 798 HG2 GLN 101 2HG GLN 101 4.539 -15.881 8.995 799 HG3 GLN 101 3HG GLN 101 4.690 -14.643 10.238 800 HE21 GLN 101 1HE2 GLN 101 2.833 -15.187 11.325 801 HE22 GLN 101 2HE2 GLN 101 1.248 -14.985 10.672 802 H LEU 102 H LEU 102 3.094 -11.463 10.318 803 HA LEU 102 HA LEU 102 5.013 -10.958 12.408 804 HB2 LEU 102 2HB LEU 102 2.694 -9.802 11.974 805 HB3 LEU 102 3HB LEU 102 2.009 -11.168 12.824 806 HG LEU 102 HG LEU 102 3.980 -9.166 14.014 807 HD11 LEU 102 1HD1 LEU 102 1.834 -8.120 13.562 808 HD12 LEU 102 2HD1 LEU 102 2.039 -8.327 15.298 809 HD13 LEU 102 3HD1 LEU 102 0.979 -9.417 14.399 810 HD21 LEU 102 3HD2 LEU 102 2.465 -11.407 15.403 811 HD22 LEU 102 1HD2 LEU 102 3.439 -10.166 16.202 812 HD23 LEU 102 2HD2 LEU 102 4.207 -11.333 15.131 813 H GLU 103 H GLU 103 6.045 -12.751 13.068 814 HA GLU 103 HA GLU 103 4.627 -15.261 13.627 815 HB2 GLU 103 2HB GLU 103 6.755 -15.345 12.334 816 HB3 GLU 103 3HB GLU 103 7.610 -14.603 13.683 817 HG2 GLU 103 2HG GLU 103 6.988 -16.591 15.084 818 HG3 GLU 103 3HG GLU 103 6.296 -17.339 13.648 819 H GLY 104 H GLY 104 3.555 -15.009 15.532 820 HA2 GLY 104 2HA GLY 104 4.373 -15.507 17.973 821 HA3 GLY 104 3HA GLY 104 4.862 -13.816 17.881 822 H VAL 105 H VAL 105 2.094 -16.011 17.715 823 HA VAL 105 HA VAL 105 0.112 -13.966 17.463 824 HB VAL 105 HB VAL 105 -1.558 -15.729 17.832 825 HG11 VAL 105 1HG1 VAL 105 0.671 -16.643 15.979 826 HG12 VAL 105 2HG1 VAL 105 -0.602 -15.486 15.584 827 HG13 VAL 105 3HG1 VAL 105 -1.013 -17.172 15.905 828 HG21 VAL 105 3HG2 VAL 105 -0.911 -18.079 18.285 829 HG22 VAL 105 1HG2 VAL 105 -0.447 -17.012 19.612 830 HG23 VAL 105 2HG2 VAL 105 0.771 -17.578 18.472 831 H ASP 106 H ASP 106 -1.315 -13.161 18.996 832 HA ASP 106 HA ASP 106 -0.291 -12.808 21.664 833 HB2 ASP 106 2HB ASP 106 -2.866 -11.751 20.385 834 HB3 ASP 106 3HB ASP 106 -2.251 -11.261 21.963 Start of MODEL 14 1 H1 MET 1 1H MET 1 -2.757 14.657 22.019 2 H2 MET 1 2H MET 1 -1.731 13.722 21.054 3 H3 MET 1 3H MET 1 -3.405 13.529 20.946 4 HA MET 1 HA MET 1 -3.706 15.657 20.032 5 HB2 MET 1 2HB MET 1 -1.641 17.060 19.449 6 HB3 MET 1 3HB MET 1 -2.092 17.000 21.143 7 HG2 MET 1 2HG MET 1 0.105 15.300 19.944 8 HG3 MET 1 3HG MET 1 0.375 16.868 20.704 9 HE1 MET 1 3HE MET 1 -0.027 17.329 23.354 10 HE2 MET 1 1HE MET 1 -0.703 16.112 24.438 11 HE3 MET 1 2HE MET 1 -1.698 16.798 23.155 12 H HIS 2 H HIS 2 -4.436 14.498 18.344 13 HA HIS 2 HA HIS 2 -2.532 13.705 16.231 14 HB2 HIS 2 2HB HIS 2 -4.812 11.968 17.289 15 HB3 HIS 2 3HB HIS 2 -3.915 11.635 15.812 16 HD1 HIS 2 HD1 HIS 2 -1.090 11.686 16.470 17 HD2 HIS 2 HD2 HIS 2 -3.863 10.345 19.259 18 HE1 HIS 2 HE1 HIS 2 0.214 10.307 18.112 19 HE2 HIS 2 HE2 HIS 2 -1.495 9.445 19.737 20 H HIS 3 H HIS 3 -3.161 15.739 15.338 21 HA HIS 3 HA HIS 3 -5.811 16.383 14.508 22 HB2 HIS 3 2HB HIS 3 -3.112 17.390 13.496 23 HB3 HIS 3 3HB HIS 3 -4.649 18.017 12.916 24 HD1 HIS 3 HD1 HIS 3 -6.007 19.532 14.527 25 HD2 HIS 3 HD2 HIS 3 -2.332 18.315 16.049 26 HE1 HIS 3 HE1 HIS 3 -5.550 21.035 16.485 27 HE2 HIS 3 HE2 HIS 3 -3.377 20.223 17.440 28 H HIS 4 H HIS 4 -6.648 14.523 13.551 29 HA HIS 4 HA HIS 4 -5.423 13.363 11.166 30 HB2 HIS 4 2HB HIS 4 -7.977 12.663 12.670 31 HB3 HIS 4 3HB HIS 4 -7.385 11.781 11.265 32 HD1 HIS 4 HD1 HIS 4 -7.823 10.423 14.005 33 HD2 HIS 4 HD2 HIS 4 -4.178 11.889 12.653 34 HE1 HIS 4 HE1 HIS 4 -6.073 9.112 15.232 35 HE2 HIS 4 HE2 HIS 4 -3.911 9.831 14.185 36 H HIS 5 H HIS 5 -5.931 13.926 9.190 37 HA HIS 5 HA HIS 5 -8.471 14.657 8.223 38 HB2 HIS 5 2HB HIS 5 -8.076 17.010 7.587 39 HB3 HIS 5 3HB HIS 5 -7.981 16.842 9.333 40 HD1 HIS 5 HD1 HIS 5 -6.301 18.480 6.658 41 HD2 HIS 5 HD2 HIS 5 -5.030 16.590 10.139 42 HE1 HIS 5 HE1 HIS 5 -4.015 19.397 7.139 43 HE2 HIS 5 HE2 HIS 5 -3.202 18.111 9.131 44 H HIS 6 H HIS 6 -8.421 14.954 5.907 45 HA HIS 6 HA HIS 6 -6.449 13.361 4.622 46 HB2 HIS 6 2HB HIS 6 -7.704 13.651 2.601 47 HB3 HIS 6 3HB HIS 6 -8.879 13.550 3.902 48 HD1 HIS 6 HD1 HIS 6 -10.185 15.774 4.474 49 HD2 HIS 6 HD2 HIS 6 -7.750 15.998 1.109 50 HE1 HIS 6 HE1 HIS 6 -10.926 17.825 3.235 51 HE2 HIS 6 HE2 HIS 6 -9.304 18.049 1.334 52 H HIS 7 H HIS 7 -4.877 13.985 3.092 53 HA HIS 7 HA HIS 7 -4.180 16.790 2.758 54 HB2 HIS 7 2HB HIS 7 -3.154 16.182 4.967 55 HB3 HIS 7 3HB HIS 7 -2.255 14.888 4.193 56 HD1 HIS 7 HD1 HIS 7 -0.537 16.697 5.643 57 HD2 HIS 7 HD2 HIS 7 -1.727 17.658 1.783 58 HE1 HIS 7 HE1 HIS 7 1.205 18.267 4.769 59 HE2 HIS 7 HE2 HIS 7 0.598 18.602 2.365 60 H ARG 8 H ARG 8 -4.135 16.726 0.635 61 HA ARG 8 HA ARG 8 -2.839 14.672 -0.966 62 HB2 ARG 8 2HB ARG 8 -4.879 15.786 -1.775 63 HB3 ARG 8 3HB ARG 8 -4.108 17.361 -1.635 64 HG2 ARG 8 2HG ARG 8 -2.411 16.478 -3.395 65 HG3 ARG 8 3HG ARG 8 -3.580 15.182 -3.674 66 HD2 ARG 8 2HD ARG 8 -4.002 18.167 -4.035 67 HD3 ARG 8 3HD ARG 8 -3.993 16.929 -5.294 68 HE ARG 8 HE ARG 8 -6.053 16.034 -4.080 69 HH11 ARG 8 1HH1 ARG 8 -5.300 19.478 -4.207 70 HH12 ARG 8 2HH1 ARG 8 -6.954 19.966 -4.031 71 HH21 ARG 8 1HH2 ARG 8 -8.198 16.696 -3.799 72 HH22 ARG 8 2HH2 ARG 8 -8.596 18.384 -3.801 73 H SER 9 H SER 9 -0.737 14.793 -1.637 74 HA SER 9 HA SER 9 0.624 17.377 -1.849 75 HB2 SER 9 2HB SER 9 1.845 15.047 -0.306 76 HB3 SER 9 3HB SER 9 2.621 16.595 -0.647 77 HG SER 9 HG SER 9 0.940 15.931 1.353 78 H GLY 10 H GLY 10 0.587 17.179 -4.041 79 HA2 GLY 10 2HA GLY 10 1.348 16.675 -6.131 80 HA3 GLY 10 3HA GLY 10 2.696 15.867 -5.349 81 H ASP 11 H ASP 11 2.823 14.119 -6.674 82 HA ASP 11 HA ASP 11 0.536 12.372 -7.189 83 HB2 ASP 11 2HB ASP 11 3.457 12.058 -8.035 84 HB3 ASP 11 3HB ASP 11 2.103 11.086 -8.612 85 H ILE 12 H ILE 12 0.244 10.417 -6.297 86 HA ILE 12 HA ILE 12 2.046 9.471 -4.146 87 HB ILE 12 HB ILE 12 -0.860 8.664 -4.661 88 HG12 ILE 12 2HG1 ILE 12 0.056 10.623 -2.505 89 HG13 ILE 12 3HG1 ILE 12 -0.571 11.150 -4.062 90 HG21 ILE 12 1HG2 ILE 12 -0.766 7.780 -2.348 91 HG22 ILE 12 2HG2 ILE 12 0.934 8.237 -2.245 92 HG23 ILE 12 3HG2 ILE 12 0.421 7.002 -3.397 93 HD11 ILE 12 3HD1 ILE 12 -2.269 11.245 -2.333 94 HD12 ILE 12 1HD1 ILE 12 -2.092 9.517 -2.028 95 HD13 ILE 12 2HD1 ILE 12 -2.707 10.085 -3.584 96 H GLN 13 H GLN 13 3.466 8.071 -5.121 97 HA GLN 13 HA GLN 13 2.697 6.354 -7.342 98 HB2 GLN 13 2HB GLN 13 4.881 7.557 -7.343 99 HB3 GLN 13 3HB GLN 13 5.369 6.674 -5.904 100 HG2 GLN 13 2HG GLN 13 6.442 5.674 -7.811 101 HG3 GLN 13 3HG GLN 13 5.227 4.546 -7.211 102 HE21 GLN 13 1HE2 GLN 13 6.034 6.795 -9.756 103 HE22 GLN 13 2HE2 GLN 13 4.901 6.206 -10.915 104 H VAL 14 H VAL 14 1.857 4.405 -6.990 105 HA VAL 14 HA VAL 14 2.368 2.851 -4.533 106 HB VAL 14 HB VAL 14 0.471 2.201 -6.860 107 HG11 VAL 14 1HG1 VAL 14 0.612 1.033 -4.052 108 HG12 VAL 14 2HG1 VAL 14 1.084 0.220 -5.547 109 HG13 VAL 14 3HG1 VAL 14 -0.608 0.640 -5.268 110 HG21 VAL 14 3HG2 VAL 14 -1.375 3.032 -5.438 111 HG22 VAL 14 1HG2 VAL 14 -0.221 4.314 -5.820 112 HG23 VAL 14 2HG2 VAL 14 -0.207 3.561 -4.224 113 H GLN 15 H GLN 15 3.885 1.238 -4.604 114 HA GLN 15 HA GLN 15 4.721 0.023 -7.175 115 HB2 GLN 15 2HB GLN 15 6.594 1.079 -5.001 116 HB3 GLN 15 3HB GLN 15 7.106 0.067 -6.349 117 HG2 GLN 15 2HG GLN 15 6.392 1.837 -7.934 118 HG3 GLN 15 3HG GLN 15 5.915 2.845 -6.571 119 HE21 GLN 15 1HE2 GLN 15 8.622 1.495 -8.326 120 HE22 GLN 15 2HE2 GLN 15 9.825 2.533 -7.651 121 H ASN 16 H ASN 16 5.584 -2.122 -6.945 122 HA ASN 16 HA ASN 16 5.426 -3.446 -4.338 123 HB2 ASN 16 2HB ASN 16 3.147 -3.718 -5.284 124 HB3 ASN 16 3HB ASN 16 3.817 -4.385 -6.766 125 HD21 ASN 16 1HD2 ASN 16 3.251 -4.988 -3.362 126 HD22 ASN 16 2HD2 ASN 16 3.415 -6.697 -3.438 127 H ASN 17 H ASN 17 6.607 -5.392 -4.262 128 HA ASN 17 HA ASN 17 8.281 -6.145 -6.580 129 HB2 ASN 17 2HB ASN 17 9.672 -4.735 -5.086 130 HB3 ASN 17 3HB ASN 17 9.221 -5.711 -3.694 131 HD21 ASN 17 1HD2 ASN 17 11.362 -6.215 -3.210 132 HD22 ASN 17 2HD2 ASN 17 12.306 -7.300 -4.168 133 H ASN 18 H ASN 18 7.484 -8.143 -7.005 134 HA ASN 18 HA ASN 18 6.847 -9.973 -4.773 135 HB2 ASN 18 2HB ASN 18 5.614 -11.330 -6.428 136 HB3 ASN 18 3HB ASN 18 5.024 -9.678 -6.409 137 HD21 ASN 18 1HD2 ASN 18 4.791 -11.732 -8.488 138 HD22 ASN 18 2HD2 ASN 18 5.484 -11.054 -9.915 139 H THR 19 H THR 19 8.333 -11.400 -4.219 140 HA THR 19 HA THR 19 10.517 -12.134 -6.041 141 HB THR 19 HB THR 19 11.484 -13.251 -3.971 142 HG1 THR 19 HG1 THR 19 10.324 -12.266 -1.971 143 HG21 THR 19 3HG2 THR 19 12.109 -11.157 -2.808 144 HG22 THR 19 1HG2 THR 19 10.816 -10.294 -3.648 145 HG23 THR 19 2HG2 THR 19 12.178 -10.952 -4.558 146 H CYS 20 H CYS 20 10.198 -13.828 -7.298 147 HA CYS 20 HA CYS 20 8.998 -16.306 -6.576 148 HB2 CYS 20 2HB CYS 20 7.010 -14.625 -6.786 149 HB3 CYS 20 3HB CYS 20 7.325 -14.658 -8.512 150 H ASN 21 H ASN 21 9.075 -17.841 -8.346 151 HA ASN 21 HA ASN 21 11.128 -17.373 -10.301 152 HB2 ASN 21 2HB ASN 21 10.687 -19.698 -11.044 153 HB3 ASN 21 3HB ASN 21 10.836 -19.607 -9.293 154 HD21 ASN 21 1HD2 ASN 21 8.961 -19.907 -8.007 155 HD22 ASN 21 2HD2 ASN 21 7.539 -20.655 -8.644 156 H GLY 22 H GLY 22 7.728 -16.923 -10.256 157 HA2 GLY 22 2HA GLY 22 7.217 -16.758 -13.056 158 HA3 GLY 22 3HA GLY 22 6.267 -16.028 -11.771 159 H LYS 23 H LYS 23 6.023 -14.164 -13.174 160 HA LYS 23 HA LYS 23 8.417 -12.721 -14.013 161 HB2 LYS 23 2HB LYS 23 5.457 -12.196 -14.509 162 HB3 LYS 23 3HB LYS 23 6.753 -11.180 -15.140 163 HG2 LYS 23 2HG LYS 23 6.316 -14.117 -15.780 164 HG3 LYS 23 3HG LYS 23 5.990 -12.754 -16.859 165 HD2 LYS 23 2HD LYS 23 8.432 -12.178 -16.812 166 HD3 LYS 23 3HD LYS 23 8.727 -13.589 -15.793 167 HE2 LYS 23 2HE LYS 23 9.317 -14.127 -18.070 168 HE3 LYS 23 3HE LYS 23 7.871 -15.042 -17.641 169 HZ1 LYS 23 3HZ LYS 23 6.554 -13.334 -18.796 170 HZ2 LYS 23 1HZ LYS 23 7.633 -14.127 -19.825 171 HZ3 LYS 23 2HZ LYS 23 7.978 -12.563 -19.279 172 H THR 24 H THR 24 9.040 -10.721 -13.396 173 HA THR 24 HA THR 24 8.496 -9.866 -10.716 174 HB THR 24 HB THR 24 10.159 -8.007 -11.338 175 HG1 THR 24 HG1 THR 24 10.194 -7.744 -13.468 176 HG21 THR 24 3HG2 THR 24 10.963 -10.085 -10.298 177 HG22 THR 24 1HG2 THR 24 12.111 -9.523 -11.516 178 HG23 THR 24 2HG2 THR 24 11.029 -10.867 -11.879 179 H PHE 25 H PHE 25 6.266 -9.368 -10.838 180 HA PHE 25 HA PHE 25 5.239 -7.228 -12.478 181 HB2 PHE 25 2HB PHE 25 4.043 -8.679 -10.077 182 HB3 PHE 25 3HB PHE 25 3.176 -7.530 -11.088 183 HD1 PHE 25 HD1 PHE 25 3.182 -8.109 -13.686 184 HD2 PHE 25 HD2 PHE 25 3.780 -10.963 -10.558 185 HE1 PHE 25 HE1 PHE 25 2.479 -9.922 -15.189 186 HE2 PHE 25 HE2 PHE 25 3.082 -12.765 -12.072 187 HZ PHE 25 HZ PHE 25 2.440 -12.248 -14.386 188 H ASP 26 H ASP 26 6.129 -5.302 -12.063 189 HA ASP 26 HA ASP 26 6.947 -4.299 -9.552 190 HB2 ASP 26 2HB ASP 26 6.239 -2.797 -12.112 191 HB3 ASP 26 3HB ASP 26 7.067 -2.089 -10.731 192 H TYR 27 H TYR 27 3.878 -4.337 -11.223 193 HA TYR 27 HA TYR 27 1.813 -3.439 -10.868 194 HB2 TYR 27 2HB TYR 27 2.691 -4.071 -8.028 195 HB3 TYR 27 3HB TYR 27 1.050 -3.599 -8.435 196 HD1 TYR 27 HD1 TYR 27 0.526 -5.141 -10.926 197 HD2 TYR 27 HD2 TYR 27 2.501 -6.341 -7.325 198 HE1 TYR 27 HE1 TYR 27 -0.138 -7.470 -11.334 199 HE2 TYR 27 HE2 TYR 27 1.844 -8.673 -7.742 200 HH TYR 27 HH TYR 27 0.596 -9.735 -10.718 201 H THR 28 H THR 28 3.720 -1.472 -11.277 202 HA THR 28 HA THR 28 3.517 0.575 -9.222 203 HB THR 28 HB THR 28 4.992 0.556 -11.893 204 HG1 THR 28 HG1 THR 28 5.499 -0.653 -9.557 205 HG21 THR 28 3HG2 THR 28 6.303 2.450 -10.968 206 HG22 THR 28 1HG2 THR 28 5.264 2.469 -9.542 207 HG23 THR 28 2HG2 THR 28 4.598 2.878 -11.124 208 H TYR 29 H TYR 29 1.851 1.931 -9.184 209 HA TYR 29 HA TYR 29 0.584 2.909 -11.677 210 HB2 TYR 29 2HB TYR 29 -0.921 2.155 -9.118 211 HB3 TYR 29 3HB TYR 29 -1.638 2.760 -10.610 212 HD1 TYR 29 HD1 TYR 29 -1.039 1.269 -12.779 213 HD2 TYR 29 HD2 TYR 29 -1.023 -0.165 -8.751 214 HE1 TYR 29 HE1 TYR 29 -1.259 -1.036 -13.600 215 HE2 TYR 29 HE2 TYR 29 -1.247 -2.480 -9.576 216 HH TYR 29 HH TYR 29 -2.001 -3.680 -11.556 217 H THR 30 H THR 30 0.684 5.067 -11.722 218 HA THR 30 HA THR 30 1.374 6.565 -9.296 219 HB THR 30 HB THR 30 1.261 7.678 -12.135 220 HG1 THR 30 HG1 THR 30 3.064 5.916 -10.974 221 HG21 THR 30 3HG2 THR 30 2.937 9.278 -11.261 222 HG22 THR 30 1HG2 THR 30 2.907 8.480 -9.690 223 HG23 THR 30 2HG2 THR 30 1.474 9.338 -10.272 224 H VAL 31 H VAL 31 -0.460 7.029 -8.188 225 HA VAL 31 HA VAL 31 -2.768 8.230 -9.602 226 HB VAL 31 HB VAL 31 -4.059 7.963 -7.538 227 HG11 VAL 31 1HG1 VAL 31 -2.589 5.387 -8.213 228 HG12 VAL 31 2HG1 VAL 31 -3.993 6.040 -9.059 229 HG13 VAL 31 3HG1 VAL 31 -4.150 5.495 -7.389 230 HG21 VAL 31 3HG2 VAL 31 -3.178 6.843 -5.518 231 HG22 VAL 31 1HG2 VAL 31 -2.301 8.339 -5.852 232 HG23 VAL 31 2HG2 VAL 31 -1.569 6.782 -6.245 233 H THR 32 H THR 32 -3.736 10.139 -8.250 234 HA THR 32 HA THR 32 -1.621 11.860 -7.075 235 HB THR 32 HB THR 32 -1.884 12.528 -9.442 236 HG1 THR 32 HG1 THR 32 -2.096 14.136 -7.353 237 HG21 THR 32 3HG2 THR 32 -3.983 13.504 -10.288 238 HG22 THR 32 1HG2 THR 32 -4.795 13.107 -8.778 239 HG23 THR 32 2HG2 THR 32 -4.218 11.811 -9.832 240 H THR 33 H THR 33 -4.659 10.485 -6.829 241 HA THR 33 HA THR 33 -5.654 12.476 -4.878 242 HB THR 33 HB THR 33 -7.350 10.478 -6.443 243 HG1 THR 33 HG1 THR 33 -6.561 11.757 -8.025 244 HG21 THR 33 3HG2 THR 33 -8.118 13.059 -5.029 245 HG22 THR 33 1HG2 THR 33 -8.434 11.426 -4.430 246 HG23 THR 33 2HG2 THR 33 -9.215 11.992 -5.907 247 H GLU 34 H GLU 34 -6.305 11.686 -2.889 248 HA GLU 34 HA GLU 34 -5.219 9.260 -1.881 249 HB2 GLU 34 2HB GLU 34 -7.325 11.060 -0.608 250 HB3 GLU 34 3HB GLU 34 -6.282 9.909 0.229 251 HG2 GLU 34 2HG GLU 34 -4.320 11.248 -0.244 252 HG3 GLU 34 3HG GLU 34 -5.246 12.327 -1.279 253 H SER 35 H SER 35 -8.416 10.235 -2.990 254 HA SER 35 HA SER 35 -10.004 8.086 -2.184 255 HB2 SER 35 2HB SER 35 -10.229 9.782 -4.709 256 HB3 SER 35 3HB SER 35 -11.522 8.785 -4.033 257 HG SER 35 HG SER 35 -11.949 10.331 -2.695 258 H GLU 36 H GLU 36 -7.906 8.449 -5.004 259 HA GLU 36 HA GLU 36 -8.708 6.169 -6.471 260 HB2 GLU 36 2HB GLU 36 -6.073 7.689 -6.504 261 HB3 GLU 36 3HB GLU 36 -6.524 6.452 -7.676 262 HG2 GLU 36 2HG GLU 36 -8.463 7.856 -8.368 263 HG3 GLU 36 3HG GLU 36 -7.916 9.111 -7.254 264 H LEU 37 H LEU 37 -6.453 6.588 -3.815 265 HA LEU 37 HA LEU 37 -4.962 4.222 -4.044 266 HB2 LEU 37 2HB LEU 37 -5.682 5.939 -1.649 267 HB3 LEU 37 3HB LEU 37 -4.676 4.509 -1.481 268 HG LEU 37 HG LEU 37 -3.980 6.877 -3.264 269 HD11 LEU 37 1HD1 LEU 37 -3.945 7.539 -0.904 270 HD12 LEU 37 2HD1 LEU 37 -2.318 7.484 -1.576 271 HD13 LEU 37 3HD1 LEU 37 -2.882 6.182 -0.523 272 HD21 LEU 37 3HD2 LEU 37 -1.752 5.833 -3.382 273 HD22 LEU 37 1HD2 LEU 37 -2.998 4.772 -4.039 274 HD23 LEU 37 2HD2 LEU 37 -2.333 4.463 -2.433 275 H GLN 38 H GLN 38 -8.094 4.828 -2.467 276 HA GLN 38 HA GLN 38 -8.424 2.261 -1.290 277 HB2 GLN 38 2HB GLN 38 -10.506 4.327 -2.126 278 HB3 GLN 38 3HB GLN 38 -10.918 2.838 -1.287 279 HG2 GLN 38 2HG GLN 38 -10.863 4.520 0.374 280 HG3 GLN 38 3HG GLN 38 -9.392 3.580 0.594 281 HE21 GLN 38 1HE2 GLN 38 -7.390 4.551 0.086 282 HE22 GLN 38 2HE2 GLN 38 -7.230 6.262 -0.093 283 H LYS 39 H LYS 39 -8.980 3.445 -4.532 284 HA LYS 39 HA LYS 39 -10.552 1.211 -5.480 285 HB2 LYS 39 2HB LYS 39 -9.313 3.676 -6.719 286 HB3 LYS 39 3HB LYS 39 -9.770 2.364 -7.783 287 HG2 LYS 39 2HG LYS 39 -11.484 4.059 -7.751 288 HG3 LYS 39 3HG LYS 39 -12.111 2.562 -7.075 289 HD2 LYS 39 2HD LYS 39 -11.060 4.650 -5.161 290 HD3 LYS 39 3HD LYS 39 -12.598 4.965 -5.960 291 HE2 LYS 39 2HE LYS 39 -13.499 2.849 -5.057 292 HE3 LYS 39 3HE LYS 39 -11.961 2.541 -4.246 293 HZ1 LYS 39 3HZ LYS 39 -12.286 4.544 -2.939 294 HZ2 LYS 39 1HZ LYS 39 -13.603 3.502 -2.743 295 HZ3 LYS 39 2HZ LYS 39 -13.742 4.865 -3.729 296 H VAL 40 H VAL 40 -7.198 2.336 -6.070 297 HA VAL 40 HA VAL 40 -6.546 0.192 -7.819 298 HB VAL 40 HB VAL 40 -5.517 2.450 -8.011 299 HG11 VAL 40 1HG1 VAL 40 -3.670 3.158 -6.556 300 HG12 VAL 40 2HG1 VAL 40 -3.931 1.750 -5.524 301 HG13 VAL 40 3HG1 VAL 40 -5.178 2.992 -5.653 302 HG21 VAL 40 3HG2 VAL 40 -4.425 0.531 -9.091 303 HG22 VAL 40 1HG2 VAL 40 -3.459 0.247 -7.643 304 HG23 VAL 40 2HG2 VAL 40 -3.236 1.730 -8.578 305 H LEU 41 H LEU 41 -6.203 0.641 -4.360 306 HA LEU 41 HA LEU 41 -4.359 -1.520 -3.930 307 HB2 LEU 41 2HB LEU 41 -5.904 0.369 -2.203 308 HB3 LEU 41 3HB LEU 41 -5.494 -1.154 -1.462 309 HG LEU 41 HG LEU 41 -3.843 0.583 -0.911 310 HD11 LEU 41 1HD1 LEU 41 -2.651 -1.606 -2.645 311 HD12 LEU 41 2HD1 LEU 41 -3.085 -1.734 -0.937 312 HD13 LEU 41 3HD1 LEU 41 -1.792 -0.648 -1.433 313 HD21 LEU 41 3HD2 LEU 41 -2.309 1.498 -2.624 314 HD22 LEU 41 1HD2 LEU 41 -3.978 1.991 -2.893 315 HD23 LEU 41 2HD2 LEU 41 -3.259 0.725 -3.892 316 H ASN 42 H ASN 42 -7.883 -1.219 -3.871 317 HA ASN 42 HA ASN 42 -8.425 -3.784 -2.732 318 HB2 ASN 42 2HB ASN 42 -10.165 -1.776 -4.205 319 HB3 ASN 42 3HB ASN 42 -10.793 -3.354 -3.737 320 HD21 ASN 42 1HD2 ASN 42 -12.290 -2.472 -2.314 321 HD22 ASN 42 2HD2 ASN 42 -11.835 -1.763 -0.805 322 H GLU 43 H GLU 43 -8.125 -2.659 -6.105 323 HA GLU 43 HA GLU 43 -8.831 -5.227 -7.236 324 HB2 GLU 43 2HB GLU 43 -8.040 -4.294 -9.380 325 HB3 GLU 43 3HB GLU 43 -9.144 -3.195 -8.561 326 HG2 GLU 43 2HG GLU 43 -7.198 -1.862 -7.777 327 HG3 GLU 43 3HG GLU 43 -6.124 -2.939 -8.666 328 H LEU 44 H LEU 44 -5.824 -3.564 -6.390 329 HA LEU 44 HA LEU 44 -3.936 -5.332 -7.503 330 HB2 LEU 44 2HB LEU 44 -3.474 -3.010 -6.715 331 HB3 LEU 44 3HB LEU 44 -3.667 -3.543 -5.054 332 HG LEU 44 HG LEU 44 -1.662 -4.970 -5.257 333 HD11 LEU 44 1HD1 LEU 44 -0.251 -4.913 -7.249 334 HD12 LEU 44 2HD1 LEU 44 -1.445 -3.921 -8.090 335 HD13 LEU 44 3HD1 LEU 44 -1.844 -5.572 -7.609 336 HD21 LEU 44 3HD2 LEU 44 0.036 -3.203 -5.390 337 HD22 LEU 44 1HD2 LEU 44 -1.380 -2.639 -4.501 338 HD23 LEU 44 2HD2 LEU 44 -1.120 -2.118 -6.167 339 H LYS 45 H LYS 45 -5.736 -5.393 -4.549 340 HA LYS 45 HA LYS 45 -4.558 -7.189 -2.874 341 HB2 LYS 45 2HB LYS 45 -6.598 -5.967 -2.369 342 HB3 LYS 45 3HB LYS 45 -7.485 -6.833 -3.616 343 HG2 LYS 45 2HG LYS 45 -7.361 -8.899 -2.312 344 HG3 LYS 45 3HG LYS 45 -6.362 -8.094 -1.097 345 HD2 LYS 45 2HD LYS 45 -8.721 -8.266 -0.363 346 HD3 LYS 45 3HD LYS 45 -8.211 -6.586 -0.520 347 HE2 LYS 45 2HE LYS 45 -9.355 -6.443 -2.708 348 HE3 LYS 45 3HE LYS 45 -9.862 -8.128 -2.561 349 HZ1 LYS 45 3HZ LYS 45 -11.623 -6.598 -1.918 350 HZ2 LYS 45 1HZ LYS 45 -10.635 -5.932 -0.714 351 HZ3 LYS 45 2HZ LYS 45 -11.136 -7.537 -0.599 352 H ASP 46 H ASP 46 -6.708 -7.985 -5.604 353 HA ASP 46 HA ASP 46 -6.638 -10.814 -5.221 354 HB2 ASP 46 2HB ASP 46 -7.708 -8.981 -7.380 355 HB3 ASP 46 3HB ASP 46 -7.690 -10.718 -7.641 356 H TYR 47 H TYR 47 -4.692 -8.600 -7.135 357 HA TYR 47 HA TYR 47 -3.419 -10.556 -8.792 358 HB2 TYR 47 2HB TYR 47 -2.620 -7.725 -7.987 359 HB3 TYR 47 3HB TYR 47 -1.660 -8.702 -9.091 360 HD1 TYR 47 HD1 TYR 47 -2.463 -9.187 -11.375 361 HD2 TYR 47 HD2 TYR 47 -4.793 -6.807 -8.701 362 HE1 TYR 47 HE1 TYR 47 -3.858 -8.435 -13.254 363 HE2 TYR 47 HE2 TYR 47 -6.190 -6.056 -10.579 364 HH TYR 47 HH TYR 47 -6.047 -5.825 -13.014 365 H ILE 48 H ILE 48 -2.308 -8.829 -5.862 366 HA ILE 48 HA ILE 48 0.117 -10.209 -5.425 367 HB ILE 48 HB ILE 48 -1.682 -8.674 -3.487 368 HG12 ILE 48 2HG1 ILE 48 0.843 -7.819 -4.985 369 HG13 ILE 48 3HG1 ILE 48 -0.798 -7.285 -5.327 370 HG21 ILE 48 1HG2 ILE 48 1.174 -9.590 -2.988 371 HG22 ILE 48 2HG2 ILE 48 -0.267 -10.176 -2.158 372 HG23 ILE 48 3HG2 ILE 48 0.255 -8.505 -1.942 373 HD11 ILE 48 3HD1 ILE 48 -0.863 -6.185 -3.113 374 HD12 ILE 48 1HD1 ILE 48 0.396 -5.559 -4.175 375 HD13 ILE 48 2HD1 ILE 48 0.822 -6.653 -2.861 376 H LYS 49 H LYS 49 -3.187 -10.888 -4.494 377 HA LYS 49 HA LYS 49 -2.952 -12.840 -2.506 378 HB2 LYS 49 2HB LYS 49 -5.042 -11.675 -3.282 379 HB3 LYS 49 3HB LYS 49 -5.032 -12.664 -4.733 380 HG2 LYS 49 2HG LYS 49 -5.360 -14.686 -3.329 381 HG3 LYS 49 3HG LYS 49 -5.395 -13.665 -1.887 382 HD2 LYS 49 2HD LYS 49 -7.373 -13.586 -4.207 383 HD3 LYS 49 3HD LYS 49 -7.694 -14.209 -2.589 384 HE2 LYS 49 2HE LYS 49 -7.424 -11.938 -1.652 385 HE3 LYS 49 3HE LYS 49 -7.043 -11.311 -3.258 386 HZ1 LYS 49 3HZ LYS 49 -9.351 -10.896 -2.624 387 HZ2 LYS 49 1HZ LYS 49 -9.626 -12.558 -2.485 388 HZ3 LYS 49 2HZ LYS 49 -9.258 -11.887 -3.989 389 H LYS 50 H LYS 50 -3.190 -13.185 -6.015 390 HA LYS 50 HA LYS 50 -2.951 -16.067 -6.024 391 HB2 LYS 50 2HB LYS 50 -4.420 -14.872 -7.596 392 HB3 LYS 50 3HB LYS 50 -3.047 -13.991 -8.251 393 HG2 LYS 50 2HG LYS 50 -2.145 -16.008 -9.257 394 HG3 LYS 50 3HG LYS 50 -3.351 -17.010 -8.443 395 HD2 LYS 50 2HD LYS 50 -3.909 -16.634 -10.841 396 HD3 LYS 50 3HD LYS 50 -5.150 -15.997 -9.762 397 HE2 LYS 50 2HE LYS 50 -4.121 -13.713 -10.046 398 HE3 LYS 50 3HE LYS 50 -3.032 -14.409 -11.249 399 HZ1 LYS 50 3HZ LYS 50 -4.941 -13.374 -12.296 400 HZ2 LYS 50 1HZ LYS 50 -6.004 -14.355 -11.423 401 HZ3 LYS 50 2HZ LYS 50 -4.969 -15.040 -12.570 402 H GLN 51 H GLN 51 -0.856 -13.300 -6.513 403 HA GLN 51 HA GLN 51 1.321 -14.877 -7.698 404 HB2 GLN 51 2HB GLN 51 0.968 -11.883 -7.259 405 HB3 GLN 51 3HB GLN 51 2.429 -12.600 -7.933 406 HG2 GLN 51 2HG GLN 51 -0.347 -12.725 -9.145 407 HG3 GLN 51 3HG GLN 51 0.995 -11.727 -9.707 408 HE21 GLN 51 1HE2 GLN 51 -0.536 -13.805 -11.095 409 HE22 GLN 51 2HE2 GLN 51 0.622 -14.955 -11.653 410 H GLY 52 H GLY 52 3.574 -13.984 -6.952 411 HA2 GLY 52 2HA GLY 52 5.180 -13.668 -5.339 412 HA3 GLY 52 3HA GLY 52 3.921 -13.453 -4.134 413 H CYS 53 H CYS 53 6.211 -15.616 -5.458 414 HA CYS 53 HA CYS 53 5.346 -18.084 -4.363 415 HB2 CYS 53 2HB CYS 53 8.151 -17.021 -4.913 416 HB3 CYS 53 3HB CYS 53 7.800 -18.682 -4.452 417 H LYS 54 H LYS 54 7.329 -15.419 -3.139 418 HA LYS 54 HA LYS 54 6.816 -16.213 -0.332 419 HB2 LYS 54 2HB LYS 54 8.873 -14.361 -1.611 420 HB3 LYS 54 3HB LYS 54 8.496 -14.258 0.100 421 HG2 LYS 54 2HG LYS 54 10.495 -15.560 -0.126 422 HG3 LYS 54 3HG LYS 54 9.201 -16.648 0.365 423 HD2 LYS 54 2HD LYS 54 10.568 -17.741 -1.307 424 HD3 LYS 54 3HD LYS 54 8.984 -17.402 -2.007 425 HE2 LYS 54 2HE LYS 54 10.784 -16.918 -3.601 426 HE3 LYS 54 3HE LYS 54 9.919 -15.443 -3.175 427 HZ1 LYS 54 3HZ LYS 54 12.281 -15.046 -3.196 428 HZ2 LYS 54 1HZ LYS 54 12.557 -16.305 -2.102 429 HZ3 LYS 54 2HZ LYS 54 11.721 -14.924 -1.605 430 H ARG 55 H ARG 55 7.124 -13.272 0.452 431 HA ARG 55 HA ARG 55 4.336 -12.511 -0.123 432 HB2 ARG 55 2HB ARG 55 6.210 -11.354 1.994 433 HB3 ARG 55 3HB ARG 55 4.503 -10.988 1.806 434 HG2 ARG 55 2HG ARG 55 4.574 -12.458 3.629 435 HG3 ARG 55 3HG ARG 55 4.081 -13.491 2.288 436 HD2 ARG 55 2HD ARG 55 5.780 -14.563 3.761 437 HD3 ARG 55 3HD ARG 55 6.366 -14.376 2.101 438 HE ARG 55 HE ARG 55 7.051 -12.141 3.702 439 HH11 ARG 55 1HH1 ARG 55 8.144 -15.448 3.190 440 HH12 ARG 55 2HH1 ARG 55 9.763 -15.097 3.693 441 HH21 ARG 55 1HH2 ARG 55 9.163 -11.673 4.242 442 HH22 ARG 55 2HH2 ARG 55 10.344 -12.952 4.289 443 H SER 56 H SER 56 3.900 -10.893 -1.494 444 HA SER 56 HA SER 56 5.935 -9.400 -2.846 445 HB2 SER 56 2HB SER 56 2.908 -9.047 -2.960 446 HB3 SER 56 3HB SER 56 4.080 -8.503 -4.164 447 HG SER 56 HG SER 56 2.978 -10.533 -4.633 448 H ARG 57 H ARG 57 6.792 -7.516 -2.208 449 HA ARG 57 HA ARG 57 5.844 -6.186 0.221 450 HB2 ARG 57 2HB ARG 57 8.191 -6.933 0.059 451 HB3 ARG 57 3HB ARG 57 8.432 -5.951 -1.381 452 HG2 ARG 57 2HG ARG 57 8.136 -3.900 -0.069 453 HG3 ARG 57 3HG ARG 57 7.789 -4.849 1.378 454 HD2 ARG 57 2HD ARG 57 10.414 -4.874 -0.148 455 HD3 ARG 57 3HD ARG 57 10.114 -3.972 1.338 456 HE ARG 57 HE ARG 57 9.567 -6.371 2.240 457 HH11 ARG 57 1HH1 ARG 57 12.178 -5.540 0.038 458 HH12 ARG 57 2HH1 ARG 57 13.199 -6.840 0.571 459 HH21 ARG 57 1HH2 ARG 57 10.923 -8.067 2.926 460 HH22 ARG 57 2HH2 ARG 57 12.484 -8.263 2.205 461 H THR 58 H THR 58 4.544 -4.432 -0.007 462 HA THR 58 HA THR 58 4.627 -2.806 -2.479 463 HB THR 58 HB THR 58 2.488 -2.821 -0.302 464 HG1 THR 58 HG1 THR 58 1.869 -4.643 -1.117 465 HG21 THR 58 3HG2 THR 58 2.351 -1.876 -3.195 466 HG22 THR 58 1HG2 THR 58 2.430 -0.821 -1.779 467 HG23 THR 58 2HG2 THR 58 1.025 -1.858 -2.030 468 H SER 59 H SER 59 5.001 -0.622 -2.408 469 HA SER 59 HA SER 59 5.291 0.801 0.152 470 HB2 SER 59 2HB SER 59 7.181 1.055 -2.237 471 HB3 SER 59 3HB SER 59 7.295 1.953 -0.722 472 HG SER 59 HG SER 59 7.756 0.042 0.349 473 H ILE 60 H ILE 60 3.855 2.452 0.151 474 HA ILE 60 HA ILE 60 2.983 3.749 -2.385 475 HB ILE 60 HB ILE 60 1.646 3.630 0.365 476 HG12 ILE 60 2HG1 ILE 60 0.811 2.463 -2.328 477 HG13 ILE 60 3HG1 ILE 60 1.320 1.566 -0.899 478 HG21 ILE 60 1HG2 ILE 60 -0.230 4.939 -0.553 479 HG22 ILE 60 2HG2 ILE 60 0.642 5.136 -2.074 480 HG23 ILE 60 3HG2 ILE 60 1.272 5.865 -0.598 481 HD11 ILE 60 3HD1 ILE 60 -1.048 1.422 -1.122 482 HD12 ILE 60 1HD1 ILE 60 -1.210 3.175 -1.212 483 HD13 ILE 60 2HD1 ILE 60 -0.681 2.410 0.289 484 H THR 61 H THR 61 3.342 5.976 -2.641 485 HA THR 61 HA THR 61 5.411 7.206 -1.173 486 HB THR 61 HB THR 61 3.420 8.448 -3.116 487 HG1 THR 61 HG1 THR 61 5.095 6.673 -3.673 488 HG21 THR 61 3HG2 THR 61 5.097 10.258 -3.424 489 HG22 THR 61 1HG2 THR 61 6.079 9.575 -2.130 490 HG23 THR 61 2HG2 THR 61 4.483 10.238 -1.770 491 H ALA 62 H ALA 62 5.286 7.955 0.797 492 HA ALA 62 HA ALA 62 3.011 9.627 1.708 493 HB1 ALA 62 3HB ALA 62 5.124 8.163 3.349 494 HB2 ALA 62 1HB ALA 62 3.436 7.678 3.160 495 HB3 ALA 62 2HB ALA 62 3.832 9.176 4.005 496 H ARG 63 H ARG 63 3.701 11.579 2.942 497 HA ARG 63 HA ARG 63 6.335 12.643 2.045 498 HB2 ARG 63 2HB ARG 63 3.835 14.295 2.604 499 HB3 ARG 63 3HB ARG 63 5.358 14.868 1.931 500 HG2 ARG 63 2HG ARG 63 3.468 12.928 0.561 501 HG3 ARG 63 3HG ARG 63 3.558 14.657 0.247 502 HD2 ARG 63 2HD ARG 63 5.898 14.387 -0.510 503 HD3 ARG 63 3HD ARG 63 5.767 12.645 -0.241 504 HE ARG 63 HE ARG 63 3.794 12.863 -1.910 505 HH11 ARG 63 1HH1 ARG 63 6.782 14.726 -2.126 506 HH12 ARG 63 2HH1 ARG 63 6.688 14.888 -3.852 507 HH21 ARG 63 1HH2 ARG 63 3.708 13.047 -4.154 508 HH22 ARG 63 2HH2 ARG 63 4.936 13.929 -5.002 509 H THR 64 H THR 64 3.956 13.884 4.378 510 HA THR 64 HA THR 64 5.942 13.951 6.511 511 HB THR 64 HB THR 64 4.132 15.011 7.845 512 HG1 THR 64 HG1 THR 64 2.447 14.993 5.580 513 HG21 THR 64 3HG2 THR 64 3.821 17.068 6.496 514 HG22 THR 64 1HG2 THR 64 4.348 16.204 5.051 515 HG23 THR 64 2HG2 THR 64 5.481 16.478 6.379 516 H LYS 65 H LYS 65 5.395 12.939 8.615 517 HA LYS 65 HA LYS 65 4.859 10.156 8.284 518 HB2 LYS 65 2HB LYS 65 5.685 11.891 10.612 519 HB3 LYS 65 3HB LYS 65 5.121 10.259 10.934 520 HG2 LYS 65 2HG LYS 65 7.567 10.335 10.818 521 HG3 LYS 65 3HG LYS 65 6.904 9.332 9.530 522 HD2 LYS 65 2HD LYS 65 8.737 10.673 8.663 523 HD3 LYS 65 3HD LYS 65 7.221 11.197 7.932 524 HE2 LYS 65 2HE LYS 65 8.640 13.111 8.504 525 HE3 LYS 65 3HE LYS 65 7.157 13.137 9.458 526 HZ1 LYS 65 3HZ LYS 65 9.786 12.138 10.410 527 HZ2 LYS 65 1HZ LYS 65 8.380 12.259 11.334 528 HZ3 LYS 65 2HZ LYS 65 9.142 13.654 10.769 529 H LYS 66 H LYS 66 2.874 12.863 9.194 530 HA LYS 66 HA LYS 66 0.665 11.467 10.308 531 HB2 LYS 66 2HB LYS 66 0.864 13.918 10.458 532 HB3 LYS 66 3HB LYS 66 0.774 14.059 8.708 533 HG2 LYS 66 2HG LYS 66 -1.350 14.713 9.670 534 HG3 LYS 66 3HG LYS 66 -1.558 13.220 8.763 535 HD2 LYS 66 2HD LYS 66 -2.854 13.079 10.799 536 HD3 LYS 66 3HD LYS 66 -1.512 11.945 10.925 537 HE2 LYS 66 2HE LYS 66 -1.415 14.722 12.153 538 HE3 LYS 66 3HE LYS 66 -2.070 13.328 13.011 539 HZ1 LYS 66 3HZ LYS 66 0.717 13.692 12.058 540 HZ2 LYS 66 1HZ LYS 66 0.117 12.225 12.656 541 HZ3 LYS 66 2HZ LYS 66 0.178 13.587 13.653 542 H GLU 67 H GLU 67 1.509 12.397 6.971 543 HA GLU 67 HA GLU 67 -0.725 11.182 5.681 544 HB2 GLU 67 2HB GLU 67 2.007 11.945 4.569 545 HB3 GLU 67 3HB GLU 67 0.611 11.484 3.590 546 HG2 GLU 67 2HG GLU 67 -0.644 13.433 4.487 547 HG3 GLU 67 3HG GLU 67 0.769 13.886 5.436 548 H ALA 68 H ALA 68 2.388 10.044 6.745 549 HA ALA 68 HA ALA 68 2.443 7.549 5.410 550 HB1 ALA 68 3HB ALA 68 4.446 8.590 6.376 551 HB2 ALA 68 1HB ALA 68 4.206 6.963 7.015 552 HB3 ALA 68 2HB ALA 68 3.795 8.371 8.002 553 H GLU 69 H GLU 69 0.960 8.639 8.432 554 HA GLU 69 HA GLU 69 0.292 6.061 9.474 555 HB2 GLU 69 2HB GLU 69 -0.864 8.819 10.042 556 HB3 GLU 69 3HB GLU 69 -1.313 7.369 10.937 557 HG2 GLU 69 2HG GLU 69 0.988 7.121 11.746 558 HG3 GLU 69 3HG GLU 69 1.486 8.514 10.788 559 H LYS 70 H LYS 70 -1.610 8.503 7.653 560 HA LYS 70 HA LYS 70 -4.028 6.988 7.701 561 HB2 LYS 70 2HB LYS 70 -4.974 8.673 6.190 562 HB3 LYS 70 3HB LYS 70 -4.114 9.414 7.525 563 HG2 LYS 70 2HG LYS 70 -2.175 9.852 5.911 564 HG3 LYS 70 3HG LYS 70 -3.230 9.292 4.616 565 HD2 LYS 70 2HD LYS 70 -4.825 11.057 4.979 566 HD3 LYS 70 3HD LYS 70 -4.083 11.523 6.507 567 HE2 LYS 70 2HE LYS 70 -3.574 13.160 4.780 568 HE3 LYS 70 3HE LYS 70 -2.100 12.340 5.281 569 HZ1 LYS 70 3HZ LYS 70 -2.253 12.658 2.883 570 HZ2 LYS 70 1HZ LYS 70 -3.655 11.710 2.839 571 HZ3 LYS 70 2HZ LYS 70 -2.186 11.017 3.297 572 H PHE 71 H PHE 71 -1.344 7.090 5.449 573 HA PHE 71 HA PHE 71 -2.757 5.500 3.445 574 HB2 PHE 71 2HB PHE 71 0.026 6.644 3.512 575 HB3 PHE 71 3HB PHE 71 -0.594 5.652 2.190 576 HD1 PHE 71 HD1 PHE 71 -3.439 7.481 3.149 577 HD2 PHE 71 HD2 PHE 71 0.306 7.983 1.341 578 HE1 PHE 71 HE1 PHE 71 -4.278 9.493 2.004 579 HE2 PHE 71 HE2 PHE 71 -0.492 10.040 0.200 580 HZ PHE 71 HZ PHE 71 -2.794 10.770 0.528 581 H ALA 72 H ALA 72 -0.536 4.963 6.094 582 HA ALA 72 HA ALA 72 0.181 2.282 5.549 583 HB1 ALA 72 3HB ALA 72 0.490 2.041 7.990 584 HB2 ALA 72 1HB ALA 72 -0.364 3.569 8.255 585 HB3 ALA 72 2HB ALA 72 1.185 3.556 7.413 586 H ALA 73 H ALA 73 -2.669 3.757 7.095 587 HA ALA 73 HA ALA 73 -4.121 1.457 7.761 588 HB1 ALA 73 3HB ALA 73 -4.719 3.696 8.569 589 HB2 ALA 73 1HB ALA 73 -6.105 2.926 7.796 590 HB3 ALA 73 2HB ALA 73 -5.197 4.179 6.941 591 H ILE 74 H ILE 74 -4.023 3.292 4.693 592 HA ILE 74 HA ILE 74 -6.040 1.974 3.236 593 HB ILE 74 HB ILE 74 -3.489 3.329 2.157 594 HG12 ILE 74 2HG1 ILE 74 -6.339 4.398 2.530 595 HG13 ILE 74 3HG1 ILE 74 -4.949 4.813 3.525 596 HG21 ILE 74 1HG2 ILE 74 -4.481 1.819 0.453 597 HG22 ILE 74 2HG2 ILE 74 -4.742 3.504 0.002 598 HG23 ILE 74 3HG2 ILE 74 -6.066 2.557 0.691 599 HD11 ILE 74 3HD1 ILE 74 -5.431 6.574 1.969 600 HD12 ILE 74 1HD1 ILE 74 -5.302 5.462 0.606 601 HD13 ILE 74 2HD1 ILE 74 -3.869 5.849 1.576 602 H LEU 75 H LEU 75 -2.616 1.199 3.634 603 HA LEU 75 HA LEU 75 -2.505 -1.059 1.929 604 HB2 LEU 75 2HB LEU 75 -0.786 -0.085 4.230 605 HB3 LEU 75 3HB LEU 75 -0.468 -1.647 3.497 606 HG LEU 75 HG LEU 75 -0.344 1.047 2.076 607 HD11 LEU 75 1HD1 LEU 75 2.057 0.588 1.883 608 HD12 LEU 75 2HD1 LEU 75 1.855 -0.924 2.776 609 HD13 LEU 75 3HD1 LEU 75 1.560 0.625 3.576 610 HD21 LEU 75 3HD2 LEU 75 -1.174 -0.665 0.536 611 HD22 LEU 75 1HD2 LEU 75 0.162 -1.741 0.959 612 HD23 LEU 75 2HD2 LEU 75 0.474 -0.215 0.118 613 H ILE 76 H ILE 76 -2.943 -0.844 5.494 614 HA ILE 76 HA ILE 76 -2.810 -3.612 6.013 615 HB ILE 76 HB ILE 76 -3.689 -1.182 7.590 616 HG12 ILE 76 2HG1 ILE 76 -1.929 -1.913 9.167 617 HG13 ILE 76 3HG1 ILE 76 -1.711 -3.404 8.265 618 HG21 ILE 76 1HG2 ILE 76 -5.438 -2.737 8.297 619 HG22 ILE 76 2HG2 ILE 76 -4.281 -2.502 9.608 620 HG23 ILE 76 3HG2 ILE 76 -4.234 -3.980 8.644 621 HD11 ILE 76 3HD1 ILE 76 -0.923 -2.032 6.334 622 HD12 ILE 76 1HD1 ILE 76 0.085 -1.925 7.775 623 HD13 ILE 76 2HD1 ILE 76 -1.019 -0.614 7.379 624 H LYS 77 H LYS 77 -5.591 -1.577 5.194 625 HA LYS 77 HA LYS 77 -7.712 -3.303 5.831 626 HB2 LYS 77 2HB LYS 77 -7.468 -1.251 3.591 627 HB3 LYS 77 3HB LYS 77 -8.988 -2.007 4.051 628 HG2 LYS 77 2HG LYS 77 -8.686 -1.057 6.371 629 HG3 LYS 77 3HG LYS 77 -7.258 -0.214 5.782 630 HD2 LYS 77 2HD LYS 77 -9.073 1.365 5.771 631 HD3 LYS 77 3HD LYS 77 -8.736 0.954 4.088 632 HE2 LYS 77 2HE LYS 77 -10.651 -0.576 4.054 633 HE3 LYS 77 3HE LYS 77 -10.960 -0.263 5.765 634 HZ1 LYS 77 3HZ LYS 77 -11.069 1.800 3.628 635 HZ2 LYS 77 1HZ LYS 77 -11.468 2.011 5.257 636 HZ3 LYS 77 2HZ LYS 77 -12.415 1.008 4.280 637 H VAL 78 H VAL 78 -5.620 -3.224 3.021 638 HA VAL 78 HA VAL 78 -6.974 -5.202 1.433 639 HB VAL 78 HB VAL 78 -4.175 -3.980 1.285 640 HG11 VAL 78 1HG1 VAL 78 -4.093 -6.139 0.146 641 HG12 VAL 78 2HG1 VAL 78 -4.034 -4.830 -1.033 642 HG13 VAL 78 3HG1 VAL 78 -5.531 -5.730 -0.793 643 HG21 VAL 78 3HG2 VAL 78 -5.114 -2.632 -0.546 644 HG22 VAL 78 1HG2 VAL 78 -5.993 -2.370 0.961 645 HG23 VAL 78 2HG2 VAL 78 -6.692 -3.385 -0.306 646 H TYR 79 H TYR 79 -4.067 -5.183 3.513 647 HA TYR 79 HA TYR 79 -3.338 -7.906 2.865 648 HB2 TYR 79 2HB TYR 79 -2.149 -6.044 4.955 649 HB3 TYR 79 3HB TYR 79 -1.418 -7.535 4.349 650 HD1 TYR 79 HD2 TYR 79 -1.682 -7.450 1.526 651 HD2 TYR 79 HD1 TYR 79 -0.952 -4.194 4.099 652 HE1 TYR 79 HE2 TYR 79 -0.741 -6.219 -0.362 653 HE2 TYR 79 HE1 TYR 79 -0.022 -2.937 2.221 654 HH TYR 79 HH TYR 79 -0.478 -3.870 -0.982 655 H ALA 80 H ALA 80 -5.306 -6.452 5.264 656 HA ALA 80 HA ALA 80 -5.352 -8.431 7.265 657 HB1 ALA 80 3HB ALA 80 -7.602 -7.567 7.804 658 HB2 ALA 80 1HB ALA 80 -7.636 -6.684 6.268 659 HB3 ALA 80 2HB ALA 80 -6.468 -6.248 7.515 660 H GLU 81 H GLU 81 -7.050 -8.107 4.176 661 HA GLU 81 HA GLU 81 -8.566 -10.551 4.354 662 HB2 GLU 81 2HB GLU 81 -7.956 -8.726 1.983 663 HB3 GLU 81 3HB GLU 81 -9.120 -10.052 1.962 664 HG2 GLU 81 2HG GLU 81 -10.496 -8.920 3.652 665 HG3 GLU 81 3HG GLU 81 -9.301 -7.629 3.784 666 H LEU 82 H LEU 82 -5.485 -9.580 2.943 667 HA LEU 82 HA LEU 82 -5.059 -11.989 1.423 668 HB2 LEU 82 2HB LEU 82 -3.152 -9.736 2.165 669 HB3 LEU 82 3HB LEU 82 -2.741 -11.057 1.081 670 HG LEU 82 HG LEU 82 -4.807 -8.876 0.605 671 HD11 LEU 82 1HD1 LEU 82 -3.438 -8.299 -1.339 672 HD12 LEU 82 2HD1 LEU 82 -2.284 -9.571 -0.929 673 HD13 LEU 82 3HD1 LEU 82 -2.501 -8.193 0.148 674 HD21 LEU 82 3HD2 LEU 82 -5.251 -9.964 -1.573 675 HD22 LEU 82 1HD2 LEU 82 -5.760 -10.945 -0.202 676 HD23 LEU 82 2HD2 LEU 82 -4.277 -11.345 -1.068 677 H GLY 83 H GLY 83 -4.636 -11.212 4.713 678 HA2 GLY 83 2HA GLY 83 -3.252 -13.791 5.168 679 HA3 GLY 83 3HA GLY 83 -2.695 -12.323 5.967 680 H TYR 84 H TYR 84 -3.070 -13.405 7.924 681 HA TYR 84 HA TYR 84 -5.869 -13.665 8.841 682 HB2 TYR 84 2HB TYR 84 -4.289 -15.625 9.082 683 HB3 TYR 84 3HB TYR 84 -3.257 -14.640 10.108 684 HD1 TYR 84 HD2 TYR 84 -6.869 -15.708 9.926 685 HD2 TYR 84 HD1 TYR 84 -3.472 -15.018 12.432 686 HE1 TYR 84 HE2 TYR 84 -8.148 -16.473 11.877 687 HE2 TYR 84 HE1 TYR 84 -4.757 -15.790 14.382 688 HH TYR 84 HH TYR 84 -7.669 -17.439 14.138 689 H ASN 85 H ASN 85 -4.704 -11.109 8.350 690 HA ASN 85 HA ASN 85 -4.412 -9.020 9.161 691 HB2 ASN 85 2HB ASN 85 -5.632 -10.198 11.692 692 HB3 ASN 85 3HB ASN 85 -5.199 -8.502 11.550 693 HD21 ASN 85 1HD2 ASN 85 -6.716 -10.551 9.054 694 HD22 ASN 85 2HD2 ASN 85 -8.181 -9.645 8.985 695 H ASP 86 H ASP 86 -2.412 -11.344 9.690 696 HA ASP 86 HA ASP 86 -0.713 -10.252 11.770 697 HB2 ASP 86 2HB ASP 86 0.779 -12.158 11.251 698 HB3 ASP 86 3HB ASP 86 -0.864 -12.703 11.531 699 H ILE 87 H ILE 87 0.047 -8.292 11.192 700 HA ILE 87 HA ILE 87 1.172 -7.863 8.472 701 HB ILE 87 HB ILE 87 -0.202 -5.753 10.215 702 HG12 ILE 87 2HG1 ILE 87 -1.935 -7.347 9.534 703 HG13 ILE 87 3HG1 ILE 87 -2.133 -5.868 8.607 704 HG21 ILE 87 1HG2 ILE 87 0.679 -5.647 7.307 705 HG22 ILE 87 2HG2 ILE 87 1.429 -4.801 8.663 706 HG23 ILE 87 3HG2 ILE 87 -0.204 -4.381 8.159 707 HD11 ILE 87 3HD1 ILE 87 -2.523 -7.777 7.214 708 HD12 ILE 87 1HD1 ILE 87 -0.958 -8.467 7.640 709 HD13 ILE 87 2HD1 ILE 87 -1.039 -6.983 6.686 710 H ASN 88 H ASN 88 3.161 -6.916 8.328 711 HA ASN 88 HA ASN 88 4.410 -5.666 10.714 712 HB2 ASN 88 2HB ASN 88 5.708 -7.595 9.905 713 HB3 ASN 88 3HB ASN 88 5.699 -6.958 8.265 714 HD21 ASN 88 1HD2 ASN 88 7.930 -6.874 8.085 715 HD22 ASN 88 2HD2 ASN 88 8.912 -5.768 8.982 716 H VAL 89 H VAL 89 4.138 -3.513 10.571 717 HA VAL 89 HA VAL 89 4.069 -2.146 7.948 718 HB VAL 89 HB VAL 89 3.398 -0.854 10.637 719 HG11 VAL 89 1HG1 VAL 89 2.577 -0.145 7.792 720 HG12 VAL 89 2HG1 VAL 89 3.788 0.691 8.768 721 HG13 VAL 89 3HG1 VAL 89 2.091 0.726 9.249 722 HG21 VAL 89 3HG2 VAL 89 1.940 -2.823 10.434 723 HG22 VAL 89 1HG2 VAL 89 1.425 -2.298 8.829 724 HG23 VAL 89 2HG2 VAL 89 1.010 -1.335 10.249 725 H THR 90 H THR 90 5.723 -0.803 7.382 726 HA THR 90 HA THR 90 7.656 0.156 9.399 727 HB THR 90 HB THR 90 9.501 -0.189 7.629 728 HG1 THR 90 HG1 THR 90 7.348 -1.478 6.381 729 HG21 THR 90 3HG2 THR 90 8.227 -2.715 8.744 730 HG22 THR 90 1HG2 THR 90 9.338 -1.659 9.616 731 HG23 THR 90 2HG2 THR 90 9.897 -2.548 8.198 732 H TRP 91 H TRP 91 7.923 2.308 9.265 733 HA TRP 91 HA TRP 91 6.800 3.790 6.974 734 HB2 TRP 91 2HB TRP 91 7.575 4.719 9.782 735 HB3 TRP 91 3HB TRP 91 6.875 5.755 8.539 736 HD1 TRP 91 HD1 TRP 91 4.224 5.419 8.005 737 HE1 TRP 91 HE1 TRP 91 2.326 4.333 9.356 738 HE3 TRP 91 HE3 TRP 91 7.023 2.778 11.398 739 HZ2 TRP 91 HZ2 TRP 91 2.038 2.597 11.555 740 HZ3 TRP 91 HZ3 TRP 91 5.853 1.422 13.088 741 HH2 TRP 91 HH2 TRP 91 3.408 1.331 13.166 742 H ASP 92 H ASP 92 8.372 3.891 5.436 743 HA ASP 92 HA ASP 92 11.157 4.363 5.897 744 HB2 ASP 92 2HB ASP 92 10.548 3.256 3.859 745 HB3 ASP 92 3HB ASP 92 9.365 4.481 3.439 746 H GLY 93 H GLY 93 8.380 6.421 5.193 747 HA2 GLY 93 2HA GLY 93 8.327 8.676 6.171 748 HA3 GLY 93 3HA GLY 93 9.994 8.885 5.648 749 H ASP 94 H ASP 94 10.173 8.166 3.176 750 HA ASP 94 HA ASP 94 8.417 9.892 1.612 751 HB2 ASP 94 2HB ASP 94 10.914 8.285 0.974 752 HB3 ASP 94 3HB ASP 94 9.909 8.897 -0.332 753 H THR 95 H THR 95 8.613 6.561 2.472 754 HA THR 95 HA THR 95 6.141 6.015 1.007 755 HB THR 95 HB THR 95 7.092 3.610 0.508 756 HG1 THR 95 HG1 THR 95 9.445 5.112 0.987 757 HG21 THR 95 3HG2 THR 95 6.488 5.186 -1.305 758 HG22 THR 95 1HG2 THR 95 7.946 4.272 -1.706 759 HG23 THR 95 2HG2 THR 95 8.075 5.947 -1.170 760 H VAL 96 H VAL 96 4.813 4.430 1.955 761 HA VAL 96 HA VAL 96 5.662 3.282 4.540 762 HB VAL 96 HB VAL 96 3.205 2.733 4.866 763 HG11 VAL 96 1HG1 VAL 96 2.600 5.023 5.535 764 HG12 VAL 96 2HG1 VAL 96 3.934 5.666 4.579 765 HG13 VAL 96 3HG1 VAL 96 4.261 4.632 5.973 766 HG21 VAL 96 3HG2 VAL 96 2.399 2.852 2.535 767 HG22 VAL 96 1HG2 VAL 96 2.775 4.575 2.466 768 HG23 VAL 96 2HG2 VAL 96 1.506 3.987 3.546 769 H THR 97 H THR 97 6.041 1.183 4.669 770 HA THR 97 HA THR 97 5.634 -0.523 2.291 771 HB THR 97 HB THR 97 7.990 -0.461 4.237 772 HG1 THR 97 HG1 THR 97 8.837 0.895 2.865 773 HG21 THR 97 3HG2 THR 97 9.079 -2.068 2.729 774 HG22 THR 97 1HG2 THR 97 7.633 -2.139 1.721 775 HG23 THR 97 2HG2 THR 97 7.588 -2.753 3.376 776 H VAL 98 H VAL 98 4.580 -2.406 2.652 777 HA VAL 98 HA VAL 98 4.554 -3.582 5.374 778 HB VAL 98 HB VAL 98 2.177 -3.442 3.455 779 HG11 VAL 98 1HG1 VAL 98 2.423 -5.064 6.023 780 HG12 VAL 98 2HG1 VAL 98 2.243 -5.704 4.388 781 HG13 VAL 98 3HG1 VAL 98 0.922 -4.801 5.130 782 HG21 VAL 98 3HG2 VAL 98 1.021 -2.301 5.305 783 HG22 VAL 98 1HG2 VAL 98 2.489 -1.429 4.863 784 HG23 VAL 98 2HG2 VAL 98 2.465 -2.432 6.315 785 H GLU 99 H GLU 99 5.685 -5.378 5.312 786 HA GLU 99 HA GLU 99 4.893 -7.544 3.559 787 HB2 GLU 99 2HB GLU 99 6.786 -6.324 2.351 788 HB3 GLU 99 3HB GLU 99 7.843 -6.744 3.683 789 HG2 GLU 99 2HG GLU 99 6.409 -8.899 2.117 790 HG3 GLU 99 3HG GLU 99 7.880 -8.171 1.494 791 H GLY 100 H GLY 100 4.861 -9.392 4.730 792 HA2 GLY 100 2HA GLY 100 5.517 -11.003 6.271 793 HA3 GLY 100 3HA GLY 100 6.668 -9.870 6.966 794 H GLN 101 H GLN 101 5.911 -10.600 9.062 795 HA GLN 101 HA GLN 101 3.553 -9.146 9.994 796 HB2 GLN 101 2HB GLN 101 2.566 -11.032 11.149 797 HB3 GLN 101 3HB GLN 101 2.666 -11.369 9.434 798 HG2 GLN 101 2HG GLN 101 4.559 -12.506 11.516 799 HG3 GLN 101 3HG GLN 101 3.127 -13.330 10.902 800 HE21 GLN 101 1HE2 GLN 101 3.084 -13.858 8.611 801 HE22 GLN 101 2HE2 GLN 101 4.572 -14.200 7.795 802 H LEU 102 H LEU 102 3.560 -8.606 12.127 803 HA LEU 102 HA LEU 102 5.930 -8.740 13.729 804 HB2 LEU 102 2HB LEU 102 3.913 -7.039 13.770 805 HB3 LEU 102 3HB LEU 102 3.107 -8.232 14.765 806 HG LEU 102 HG LEU 102 5.665 -6.723 15.466 807 HD11 LEU 102 1HD1 LEU 102 2.878 -6.491 16.642 808 HD12 LEU 102 2HD1 LEU 102 3.690 -5.310 15.611 809 HD13 LEU 102 3HD1 LEU 102 4.319 -5.647 17.221 810 HD21 LEU 102 3HD2 LEU 102 5.527 -7.730 17.709 811 HD22 LEU 102 1HD2 LEU 102 5.807 -8.942 16.460 812 HD23 LEU 102 2HD2 LEU 102 4.201 -8.765 17.169 813 H GLU 103 H GLU 103 6.588 -10.757 14.281 814 HA GLU 103 HA GLU 103 4.691 -12.932 14.872 815 HB2 GLU 103 2HB GLU 103 6.698 -14.406 14.626 816 HB3 GLU 103 3HB GLU 103 6.418 -13.411 13.200 817 HG2 GLU 103 2HG GLU 103 8.197 -11.869 13.889 818 HG3 GLU 103 3HG GLU 103 8.463 -12.800 15.358 819 H GLY 104 H GLY 104 4.714 -14.101 16.783 820 HA2 GLY 104 2HA GLY 104 5.323 -14.871 18.849 821 HA3 GLY 104 3HA GLY 104 6.843 -14.015 18.687 822 H VAL 105 H VAL 105 6.781 -11.659 19.167 823 HA VAL 105 HA VAL 105 5.778 -11.374 21.831 824 HB VAL 105 HB VAL 105 8.024 -10.642 21.417 825 HG11 VAL 105 1HG1 VAL 105 6.976 -8.703 19.331 826 HG12 VAL 105 2HG1 VAL 105 7.914 -10.164 19.021 827 HG13 VAL 105 3HG1 VAL 105 8.652 -8.811 19.880 828 HG21 VAL 105 3HG2 VAL 105 6.815 -9.311 23.102 829 HG22 VAL 105 1HG2 VAL 105 6.305 -8.169 21.856 830 HG23 VAL 105 2HG2 VAL 105 8.014 -8.317 22.271 831 H ASP 106 H ASP 106 3.573 -11.131 21.842 832 HA ASP 106 HA ASP 106 2.563 -8.481 21.389 833 HB2 ASP 106 2HB ASP 106 2.265 -9.413 19.111 834 HB3 ASP 106 3HB ASP 106 1.375 -10.780 19.774 Start of MODEL 15 1 H1 MET 1 1H MET 1 12.114 26.891 -11.758 2 H2 MET 1 2H MET 1 11.735 25.617 -12.792 3 H3 MET 1 3H MET 1 12.086 25.313 -11.166 4 HA MET 1 HA MET 1 9.794 26.885 -12.148 5 HB2 MET 1 2HB MET 1 8.393 24.922 -11.497 6 HB3 MET 1 3HB MET 1 9.513 24.549 -12.794 7 HG2 MET 1 2HG MET 1 10.999 23.420 -11.163 8 HG3 MET 1 3HG MET 1 9.826 23.753 -9.890 9 HE1 MET 1 3HE MET 1 7.320 22.764 -9.921 10 HE2 MET 1 1HE MET 1 6.749 21.577 -11.096 11 HE3 MET 1 2HE MET 1 7.025 23.245 -11.595 12 H HIS 2 H HIS 2 8.748 28.055 -10.592 13 HA HIS 2 HA HIS 2 8.916 27.366 -7.760 14 HB2 HIS 2 2HB HIS 2 9.998 30.006 -8.849 15 HB3 HIS 2 3HB HIS 2 9.436 29.854 -7.192 16 HD1 HIS 2 HD1 HIS 2 12.458 29.712 -9.078 17 HD2 HIS 2 HD2 HIS 2 10.965 27.631 -5.803 18 HE1 HIS 2 HE1 HIS 2 14.461 28.719 -7.938 19 HE2 HIS 2 HE2 HIS 2 13.507 27.307 -6.082 20 H HIS 3 H HIS 3 7.934 30.375 -9.500 21 HA HIS 3 HA HIS 3 5.606 30.597 -7.822 22 HB2 HIS 3 2HB HIS 3 6.955 32.577 -8.425 23 HB3 HIS 3 3HB HIS 3 6.540 32.362 -10.123 24 HD1 HIS 3 HD1 HIS 3 4.890 34.117 -10.764 25 HD2 HIS 3 HD2 HIS 3 4.179 32.708 -6.915 26 HE1 HIS 3 HE1 HIS 3 2.857 35.343 -9.952 27 HE2 HIS 3 HE2 HIS 3 2.306 34.278 -7.749 28 H HIS 4 H HIS 4 6.136 29.791 -11.250 29 HA HIS 4 HA HIS 4 3.528 30.094 -12.221 30 HB2 HIS 4 2HB HIS 4 5.401 29.719 -13.741 31 HB3 HIS 4 3HB HIS 4 5.657 28.107 -13.093 32 HD1 HIS 4 HD1 HIS 4 4.727 26.319 -14.538 33 HD2 HIS 4 HD2 HIS 4 2.608 29.867 -14.965 34 HE1 HIS 4 HE1 HIS 4 3.022 25.877 -16.328 35 HE2 HIS 4 HE2 HIS 4 1.897 28.093 -16.696 36 H HIS 5 H HIS 5 1.712 29.142 -11.613 37 HA HIS 5 HA HIS 5 1.539 27.303 -9.554 38 HB2 HIS 5 2HB HIS 5 -0.552 28.207 -11.551 39 HB3 HIS 5 3HB HIS 5 -0.932 27.177 -10.172 40 HD1 HIS 5 HD1 HIS 5 -0.961 30.617 -11.074 41 HD2 HIS 5 HD2 HIS 5 0.053 28.529 -7.632 42 HE1 HIS 5 HE1 HIS 5 -1.026 32.306 -9.221 43 HE2 HIS 5 HE2 HIS 5 -0.205 31.053 -7.205 44 H HIS 6 H HIS 6 1.967 25.298 -9.480 45 HA HIS 6 HA HIS 6 1.750 23.507 -11.826 46 HB2 HIS 6 2HB HIS 6 3.440 22.104 -10.355 47 HB3 HIS 6 3HB HIS 6 4.029 23.494 -11.256 48 HD1 HIS 6 HD1 HIS 6 4.805 25.547 -9.923 49 HD2 HIS 6 HD2 HIS 6 3.468 22.451 -7.505 50 HE1 HIS 6 HE1 HIS 6 5.495 26.160 -7.597 51 HE2 HIS 6 HE2 HIS 6 4.558 24.336 -6.148 52 H HIS 7 H HIS 7 -0.403 23.004 -11.544 53 HA HIS 7 HA HIS 7 -1.588 22.079 -9.121 54 HB2 HIS 7 2HB HIS 7 -3.475 21.295 -10.621 55 HB3 HIS 7 3HB HIS 7 -3.060 22.992 -10.799 56 HD1 HIS 7 HD1 HIS 7 -2.758 23.784 -13.115 57 HD2 HIS 7 HD2 HIS 7 -2.340 19.663 -12.872 58 HE1 HIS 7 HE1 HIS 7 -2.490 23.000 -15.474 59 HE2 HIS 7 HE2 HIS 7 -1.996 20.544 -15.271 60 H ARG 8 H ARG 8 -1.916 20.021 -8.334 61 HA ARG 8 HA ARG 8 -1.716 17.811 -7.959 62 HB2 ARG 8 2HB ARG 8 -1.745 17.818 -10.973 63 HB3 ARG 8 3HB ARG 8 -1.329 16.316 -10.166 64 HG2 ARG 8 2HG ARG 8 -3.699 16.412 -10.797 65 HG3 ARG 8 3HG ARG 8 -3.482 16.238 -9.061 66 HD2 ARG 8 2HD ARG 8 -4.054 18.910 -10.386 67 HD3 ARG 8 3HD ARG 8 -5.328 17.821 -9.830 68 HE ARG 8 HE ARG 8 -3.674 18.139 -7.658 69 HH11 ARG 8 1HH1 ARG 8 -5.612 20.349 -9.638 70 HH12 ARG 8 2HH1 ARG 8 -5.840 21.474 -8.337 71 HH21 ARG 8 1HH2 ARG 8 -3.928 19.670 -6.020 72 HH22 ARG 8 2HH2 ARG 8 -4.889 21.085 -6.303 73 H SER 9 H SER 9 0.737 19.663 -8.376 74 HA SER 9 HA SER 9 2.943 17.853 -8.850 75 HB2 SER 9 2HB SER 9 3.126 20.279 -9.371 76 HB3 SER 9 3HB SER 9 2.915 20.668 -7.668 77 HG SER 9 HG SER 9 5.056 19.191 -8.820 78 H GLY 10 H GLY 10 2.895 16.218 -7.421 79 HA2 GLY 10 2HA GLY 10 3.948 15.907 -5.041 80 HA3 GLY 10 3HA GLY 10 2.421 16.640 -4.546 81 H ASP 11 H ASP 11 2.747 14.532 -7.335 82 HA ASP 11 HA ASP 11 0.551 12.900 -6.537 83 HB2 ASP 11 2HB ASP 11 0.949 11.674 -8.647 84 HB3 ASP 11 3HB ASP 11 0.961 13.414 -8.903 85 H ILE 12 H ILE 12 0.558 10.683 -6.183 86 HA ILE 12 HA ILE 12 2.790 9.772 -4.480 87 HB ILE 12 HB ILE 12 -0.229 9.313 -4.375 88 HG12 ILE 12 2HG1 ILE 12 1.573 10.783 -2.394 89 HG13 ILE 12 3HG1 ILE 12 0.638 11.579 -3.653 90 HG21 ILE 12 1HG2 ILE 12 1.865 8.176 -2.502 91 HG22 ILE 12 2HG2 ILE 12 0.864 7.265 -3.634 92 HG23 ILE 12 3HG2 ILE 12 0.116 8.088 -2.265 93 HD11 ILE 12 3HD1 ILE 12 -0.507 11.774 -1.577 94 HD12 ILE 12 1HD1 ILE 12 -0.451 10.031 -1.314 95 HD13 ILE 12 2HD1 ILE 12 -1.427 10.696 -2.627 96 H GLN 13 H GLN 13 3.887 8.015 -5.242 97 HA GLN 13 HA GLN 13 2.697 6.277 -7.284 98 HB2 GLN 13 2HB GLN 13 5.007 7.180 -7.598 99 HB3 GLN 13 3HB GLN 13 5.538 6.302 -6.167 100 HG2 GLN 13 2HG GLN 13 5.017 4.169 -7.266 101 HG3 GLN 13 3HG GLN 13 4.421 5.028 -8.687 102 HE21 GLN 13 1HE2 GLN 13 6.521 3.060 -8.562 103 HE22 GLN 13 2HE2 GLN 13 7.949 3.833 -9.153 104 H VAL 14 H VAL 14 1.835 4.387 -6.767 105 HA VAL 14 HA VAL 14 2.266 3.093 -4.168 106 HB VAL 14 HB VAL 14 0.266 2.397 -6.374 107 HG11 VAL 14 1HG1 VAL 14 -0.898 1.073 -4.647 108 HG12 VAL 14 2HG1 VAL 14 0.366 1.469 -3.480 109 HG13 VAL 14 3HG1 VAL 14 0.751 0.489 -4.898 110 HG21 VAL 14 3HG2 VAL 14 -1.445 3.524 -5.004 111 HG22 VAL 14 1HG2 VAL 14 -0.181 4.650 -5.507 112 HG23 VAL 14 2HG2 VAL 14 -0.204 4.028 -3.854 113 H GLN 15 H GLN 15 3.874 1.650 -4.131 114 HA GLN 15 HA GLN 15 4.578 0.026 -6.523 115 HB2 GLN 15 2HB GLN 15 6.276 0.877 -4.118 116 HB3 GLN 15 3HB GLN 15 6.838 -0.173 -5.417 117 HG2 GLN 15 2HG GLN 15 6.785 1.605 -7.016 118 HG3 GLN 15 3HG GLN 15 5.867 2.654 -5.939 119 HE21 GLN 15 1HE2 GLN 15 8.509 3.033 -7.288 120 HE22 GLN 15 2HE2 GLN 15 9.591 3.475 -6.017 121 H ASN 16 H ASN 16 4.556 -2.209 -6.266 122 HA ASN 16 HA ASN 16 4.445 -3.376 -3.552 123 HB2 ASN 16 2HB ASN 16 2.114 -3.336 -4.303 124 HB3 ASN 16 3HB ASN 16 2.546 -4.064 -5.841 125 HD21 ASN 16 1HD2 ASN 16 2.197 -4.644 -2.406 126 HD22 ASN 16 2HD2 ASN 16 2.075 -6.356 -2.509 127 H ASN 17 H ASN 17 5.340 -5.469 -3.404 128 HA ASN 17 HA ASN 17 6.851 -6.473 -5.742 129 HB2 ASN 17 2HB ASN 17 8.399 -5.143 -4.330 130 HB3 ASN 17 3HB ASN 17 7.935 -6.076 -2.909 131 HD21 ASN 17 1HD2 ASN 17 10.074 -6.778 -2.544 132 HD22 ASN 17 2HD2 ASN 17 10.854 -7.943 -3.551 133 H ASN 18 H ASN 18 5.814 -8.392 -6.093 134 HA ASN 18 HA ASN 18 5.703 -10.355 -3.865 135 HB2 ASN 18 2HB ASN 18 4.396 -10.422 -6.634 136 HB3 ASN 18 3HB ASN 18 4.321 -11.745 -5.469 137 HD21 ASN 18 1HD2 ASN 18 2.133 -10.300 -6.626 138 HD22 ASN 18 2HD2 ASN 18 1.284 -9.532 -5.338 139 H THR 19 H THR 19 7.569 -11.458 -3.760 140 HA THR 19 HA THR 19 8.810 -12.466 -6.258 141 HB THR 19 HB THR 19 11.045 -12.253 -4.743 142 HG1 THR 19 HG1 THR 19 9.442 -10.058 -3.868 143 HG21 THR 19 3HG2 THR 19 9.888 -9.875 -6.245 144 HG22 THR 19 1HG2 THR 19 10.787 -11.210 -6.978 145 HG23 THR 19 2HG2 THR 19 11.588 -10.122 -5.843 146 H CYS 20 H CYS 20 8.271 -14.513 -6.202 147 HA CYS 20 HA CYS 20 9.627 -16.449 -4.860 148 HB2 CYS 20 2HB CYS 20 8.025 -17.496 -3.308 149 HB3 CYS 20 3HB CYS 20 8.369 -15.855 -2.784 150 H ASN 21 H ASN 21 9.594 -17.913 -6.454 151 HA ASN 21 HA ASN 21 8.987 -19.417 -7.998 152 HB2 ASN 21 2HB ASN 21 6.108 -19.029 -7.068 153 HB3 ASN 21 3HB ASN 21 6.695 -20.346 -8.075 154 HD21 ASN 21 1HD2 ASN 21 6.537 -19.064 -4.846 155 HD22 ASN 21 2HD2 ASN 21 7.165 -20.459 -4.040 156 H GLY 22 H GLY 22 6.081 -17.324 -8.223 157 HA2 GLY 22 2HA GLY 22 6.215 -17.146 -11.089 158 HA3 GLY 22 3HA GLY 22 5.104 -16.290 -10.030 159 H LYS 23 H LYS 23 6.867 -15.464 -12.385 160 HA LYS 23 HA LYS 23 8.948 -13.769 -11.436 161 HB2 LYS 23 2HB LYS 23 8.952 -14.714 -13.730 162 HB3 LYS 23 3HB LYS 23 7.522 -13.770 -14.136 163 HG2 LYS 23 2HG LYS 23 8.858 -11.677 -13.755 164 HG3 LYS 23 3HG LYS 23 10.290 -12.669 -13.491 165 HD2 LYS 23 2HD LYS 23 8.678 -12.702 -16.076 166 HD3 LYS 23 3HD LYS 23 10.048 -11.632 -15.808 167 HE2 LYS 23 2HE LYS 23 10.845 -13.493 -17.080 168 HE3 LYS 23 3HE LYS 23 11.478 -13.689 -15.451 169 HZ1 LYS 23 3HZ LYS 23 9.136 -15.125 -16.587 170 HZ2 LYS 23 1HZ LYS 23 9.758 -15.340 -15.027 171 HZ3 LYS 23 2HZ LYS 23 10.677 -15.771 -16.375 172 H THR 24 H THR 24 8.918 -11.681 -10.809 173 HA THR 24 HA THR 24 6.502 -10.274 -10.264 174 HB THR 24 HB THR 24 9.288 -9.018 -10.312 175 HG1 THR 24 HG1 THR 24 8.208 -10.842 -8.424 176 HG21 THR 24 3HG2 THR 24 6.917 -8.575 -8.443 177 HG22 THR 24 1HG2 THR 24 7.374 -7.507 -9.775 178 HG23 THR 24 2HG2 THR 24 8.459 -7.718 -8.400 179 H PHE 25 H PHE 25 5.344 -9.817 -12.159 180 HA PHE 25 HA PHE 25 6.566 -8.781 -14.535 181 HB2 PHE 25 2HB PHE 25 4.488 -10.085 -14.713 182 HB3 PHE 25 3HB PHE 25 3.616 -8.885 -13.764 183 HD1 PHE 25 HD1 PHE 25 5.670 -9.154 -16.902 184 HD2 PHE 25 HD2 PHE 25 2.396 -7.209 -14.942 185 HE1 PHE 25 HE1 PHE 25 5.161 -7.915 -18.962 186 HE2 PHE 25 HE2 PHE 25 1.895 -5.977 -17.012 187 HZ PHE 25 HZ PHE 25 3.280 -6.327 -19.019 188 H ASP 26 H ASP 26 3.896 -7.127 -12.813 189 HA ASP 26 HA ASP 26 5.454 -4.819 -12.141 190 HB2 ASP 26 2HB ASP 26 4.894 -4.679 -14.750 191 HB3 ASP 26 3HB ASP 26 3.291 -4.204 -14.203 192 H TYR 27 H TYR 27 4.413 -3.595 -10.632 193 HA TYR 27 HA TYR 27 1.598 -4.115 -9.928 194 HB2 TYR 27 2HB TYR 27 3.991 -4.409 -8.046 195 HB3 TYR 27 3HB TYR 27 2.323 -4.345 -7.503 196 HD1 TYR 27 HD2 TYR 27 0.785 -6.262 -7.937 197 HD2 TYR 27 HD1 TYR 27 4.915 -6.469 -9.030 198 HE1 TYR 27 HE2 TYR 27 0.609 -8.704 -8.112 199 HE2 TYR 27 HE1 TYR 27 4.738 -8.914 -9.226 200 HH TYR 27 HH TYR 27 1.789 -10.550 -9.319 201 H THR 28 H THR 28 3.577 -1.875 -10.922 202 HA THR 28 HA THR 28 3.356 0.147 -8.843 203 HB THR 28 HB THR 28 4.518 0.347 -11.657 204 HG1 THR 28 HG1 THR 28 5.484 -0.949 -9.643 205 HG21 THR 28 3HG2 THR 28 4.794 2.262 -9.306 206 HG22 THR 28 1HG2 THR 28 3.878 2.578 -10.786 207 HG23 THR 28 2HG2 THR 28 5.634 2.404 -10.851 208 H TYR 29 H TYR 29 1.862 1.694 -8.773 209 HA TYR 29 HA TYR 29 0.358 2.537 -11.171 210 HB2 TYR 29 2HB TYR 29 -0.799 2.156 -8.357 211 HB3 TYR 29 3HB TYR 29 -1.656 2.885 -9.711 212 HD1 TYR 29 HD1 TYR 29 -1.911 1.387 -11.870 213 HD2 TYR 29 HD2 TYR 29 -1.055 -0.189 -7.984 214 HE1 TYR 29 HE1 TYR 29 -2.734 -0.817 -12.579 215 HE2 TYR 29 HE2 TYR 29 -1.876 -2.396 -8.697 216 HH TYR 29 HH TYR 29 -3.607 -3.194 -10.565 217 H THR 30 H THR 30 -0.372 4.780 -11.023 218 HA THR 30 HA THR 30 1.080 6.446 -9.037 219 HB THR 30 HB THR 30 0.551 7.212 -11.954 220 HG1 THR 30 HG1 THR 30 2.157 5.665 -11.958 221 HG21 THR 30 3HG2 THR 30 2.069 9.106 -11.505 222 HG22 THR 30 1HG2 THR 30 2.243 8.592 -9.826 223 HG23 THR 30 2HG2 THR 30 0.679 9.162 -10.417 224 H VAL 31 H VAL 31 -0.409 7.232 -7.723 225 HA VAL 31 HA VAL 31 -3.040 8.131 -8.765 226 HB VAL 31 HB VAL 31 -3.971 7.701 -6.529 227 HG11 VAL 31 1HG1 VAL 31 -3.897 5.224 -6.561 228 HG12 VAL 31 2HG1 VAL 31 -2.503 5.276 -7.642 229 HG13 VAL 31 3HG1 VAL 31 -4.064 5.900 -8.183 230 HG21 VAL 31 3HG2 VAL 31 -1.237 6.620 -5.724 231 HG22 VAL 31 1HG2 VAL 31 -2.716 6.487 -4.762 232 HG23 VAL 31 2HG2 VAL 31 -2.015 8.071 -5.092 233 H THR 32 H THR 32 -3.375 10.290 -8.649 234 HA THR 32 HA THR 32 -1.390 11.976 -7.287 235 HB THR 32 HB THR 32 -2.081 12.435 -9.668 236 HG1 THR 32 HG1 THR 32 -1.200 14.208 -8.901 237 HG21 THR 32 3HG2 THR 32 -4.504 11.996 -9.492 238 HG22 THR 32 1HG2 THR 32 -4.186 13.619 -10.121 239 HG23 THR 32 2HG2 THR 32 -4.688 13.402 -8.443 240 H THR 33 H THR 33 -4.493 10.701 -6.768 241 HA THR 33 HA THR 33 -4.907 12.335 -4.363 242 HB THR 33 HB THR 33 -7.134 11.770 -6.390 243 HG1 THR 33 HG1 THR 33 -5.364 13.909 -6.054 244 HG21 THR 33 3HG2 THR 33 -7.951 11.942 -4.047 245 HG22 THR 33 1HG2 THR 33 -8.481 13.318 -5.022 246 HG23 THR 33 2HG2 THR 33 -7.144 13.506 -3.887 247 H GLU 34 H GLU 34 -6.144 11.281 -2.732 248 HA GLU 34 HA GLU 34 -5.677 8.516 -2.388 249 HB2 GLU 34 2HB GLU 34 -7.511 10.410 -0.871 250 HB3 GLU 34 3HB GLU 34 -7.039 8.808 -0.307 251 HG2 GLU 34 2HG GLU 34 -4.717 9.484 -0.120 252 HG3 GLU 34 3HG GLU 34 -5.059 11.037 -0.880 253 H SER 35 H SER 35 -8.388 10.184 -3.775 254 HA SER 35 HA SER 35 -10.367 8.180 -3.589 255 HB2 SER 35 2HB SER 35 -11.384 9.385 -5.571 256 HB3 SER 35 3HB SER 35 -10.980 10.444 -4.215 257 HG SER 35 HG SER 35 -9.621 10.130 -6.676 258 H GLU 36 H GLU 36 -7.740 8.776 -5.866 259 HA GLU 36 HA GLU 36 -8.384 6.709 -7.746 260 HB2 GLU 36 2HB GLU 36 -5.655 8.017 -7.301 261 HB3 GLU 36 3HB GLU 36 -6.232 7.229 -8.765 262 HG2 GLU 36 2HG GLU 36 -7.107 9.891 -7.621 263 HG3 GLU 36 3HG GLU 36 -6.251 9.600 -9.134 264 H LEU 37 H LEU 37 -6.268 7.039 -4.948 265 HA LEU 37 HA LEU 37 -4.774 4.706 -4.963 266 HB2 LEU 37 2HB LEU 37 -4.414 6.570 -3.405 267 HB3 LEU 37 3HB LEU 37 -5.958 6.244 -2.637 268 HG LEU 37 HG LEU 37 -4.838 3.846 -2.156 269 HD11 LEU 37 1HD1 LEU 37 -2.783 4.213 -3.379 270 HD12 LEU 37 2HD1 LEU 37 -2.456 3.991 -1.662 271 HD13 LEU 37 3HD1 LEU 37 -2.389 5.608 -2.365 272 HD21 LEU 37 3HD2 LEU 37 -4.263 6.323 -0.521 273 HD22 LEU 37 1HD2 LEU 37 -4.128 4.656 0.044 274 HD23 LEU 37 2HD2 LEU 37 -5.697 5.297 -0.434 275 H GLN 38 H GLN 38 -8.036 5.251 -3.703 276 HA GLN 38 HA GLN 38 -8.326 2.858 -2.250 277 HB2 GLN 38 2HB GLN 38 -9.699 5.052 -2.119 278 HB3 GLN 38 3HB GLN 38 -10.614 4.444 -3.491 279 HG2 GLN 38 2HG GLN 38 -11.812 4.015 -1.408 280 HG3 GLN 38 3HG GLN 38 -11.324 2.489 -2.148 281 HE21 GLN 38 1HE2 GLN 38 -11.506 1.432 -0.126 282 HE22 GLN 38 2HE2 GLN 38 -10.326 1.630 1.117 283 H LYS 39 H LYS 39 -8.742 3.562 -5.639 284 HA LYS 39 HA LYS 39 -10.099 1.128 -6.356 285 HB2 LYS 39 2HB LYS 39 -8.733 3.331 -7.921 286 HB3 LYS 39 3HB LYS 39 -9.156 1.837 -8.731 287 HG2 LYS 39 2HG LYS 39 -10.838 3.429 -9.222 288 HG3 LYS 39 3HG LYS 39 -11.553 2.245 -8.137 289 HD2 LYS 39 2HD LYS 39 -10.443 4.816 -6.992 290 HD3 LYS 39 3HD LYS 39 -11.990 4.854 -7.829 291 HE2 LYS 39 2HE LYS 39 -12.897 3.193 -6.255 292 HE3 LYS 39 3HE LYS 39 -11.339 3.115 -5.430 293 HZ1 LYS 39 3HZ LYS 39 -13.182 5.439 -5.575 294 HZ2 LYS 39 1HZ LYS 39 -11.605 5.542 -4.967 295 HZ3 LYS 39 2HZ LYS 39 -12.745 4.560 -4.204 296 H VAL 40 H VAL 40 -6.695 2.308 -6.428 297 HA VAL 40 HA VAL 40 -5.727 0.036 -7.849 298 HB VAL 40 HB VAL 40 -3.467 0.826 -7.550 299 HG11 VAL 40 1HG1 VAL 40 -5.325 3.173 -8.043 300 HG12 VAL 40 2HG1 VAL 40 -4.801 1.976 -9.231 301 HG13 VAL 40 3HG1 VAL 40 -3.625 3.082 -8.519 302 HG21 VAL 40 3HG2 VAL 40 -4.499 2.836 -5.527 303 HG22 VAL 40 1HG2 VAL 40 -2.853 2.761 -6.155 304 HG23 VAL 40 2HG2 VAL 40 -3.487 1.434 -5.182 305 H LEU 41 H LEU 41 -6.194 0.607 -4.404 306 HA LEU 41 HA LEU 41 -4.499 -1.603 -3.608 307 HB2 LEU 41 2HB LEU 41 -6.210 0.382 -2.150 308 HB3 LEU 41 3HB LEU 41 -5.986 -1.158 -1.348 309 HG LEU 41 HG LEU 41 -4.331 0.388 -0.524 310 HD11 LEU 41 1HD1 LEU 41 -3.595 -1.909 -0.666 311 HD12 LEU 41 2HD1 LEU 41 -2.244 -0.857 -1.056 312 HD13 LEU 41 3HD1 LEU 41 -3.089 -1.704 -2.347 313 HD21 LEU 41 3HD2 LEU 41 -3.372 0.767 -3.376 314 HD22 LEU 41 1HD2 LEU 41 -2.623 1.440 -1.922 315 HD23 LEU 41 2HD2 LEU 41 -4.238 1.956 -2.401 316 H ASN 42 H ASN 42 -7.985 -1.131 -4.085 317 HA ASN 42 HA ASN 42 -8.830 -3.599 -2.958 318 HB2 ASN 42 2HB ASN 42 -10.407 -1.700 -3.384 319 HB3 ASN 42 3HB ASN 42 -10.227 -1.947 -5.119 320 HD21 ASN 42 1HD2 ASN 42 -12.495 -2.276 -5.292 321 HD22 ASN 42 2HD2 ASN 42 -13.234 -3.760 -4.811 322 H GLU 43 H GLU 43 -7.991 -2.629 -6.297 323 HA GLU 43 HA GLU 43 -8.422 -5.206 -7.472 324 HB2 GLU 43 2HB GLU 43 -7.342 -4.299 -9.475 325 HB3 GLU 43 3HB GLU 43 -8.474 -3.117 -8.823 326 HG2 GLU 43 2HG GLU 43 -6.605 -1.875 -7.819 327 HG3 GLU 43 3HG GLU 43 -5.467 -3.062 -8.443 328 H LEU 44 H LEU 44 -5.564 -3.539 -6.095 329 HA LEU 44 HA LEU 44 -3.548 -5.299 -7.046 330 HB2 LEU 44 2HB LEU 44 -3.148 -2.997 -6.112 331 HB3 LEU 44 3HB LEU 44 -3.487 -3.619 -4.509 332 HG LEU 44 HG LEU 44 -1.471 -5.114 -4.706 333 HD11 LEU 44 1HD1 LEU 44 -1.349 -5.340 -7.131 334 HD12 LEU 44 2HD1 LEU 44 0.175 -4.743 -6.480 335 HD13 LEU 44 3HD1 LEU 44 -0.929 -3.632 -7.298 336 HD21 LEU 44 3HD2 LEU 44 -0.896 -2.153 -5.071 337 HD22 LEU 44 1HD2 LEU 44 0.185 -3.347 -4.343 338 HD23 LEU 44 2HD2 LEU 44 -1.338 -2.945 -3.555 339 H LYS 45 H LYS 45 -5.662 -5.399 -4.251 340 HA LYS 45 HA LYS 45 -4.581 -7.425 -2.700 341 HB2 LYS 45 2HB LYS 45 -6.558 -6.100 -2.058 342 HB3 LYS 45 3HB LYS 45 -7.504 -6.860 -3.331 343 HG2 LYS 45 2HG LYS 45 -7.312 -9.045 -2.173 344 HG3 LYS 45 3HG LYS 45 -6.337 -8.284 -0.912 345 HD2 LYS 45 2HD LYS 45 -8.678 -8.560 -0.181 346 HD3 LYS 45 3HD LYS 45 -8.235 -6.855 -0.264 347 HE2 LYS 45 2HE LYS 45 -9.389 -6.677 -2.453 348 HE3 LYS 45 3HE LYS 45 -9.842 -8.379 -2.348 349 HZ1 LYS 45 3HZ LYS 45 -11.662 -7.003 -1.644 350 HZ2 LYS 45 1HZ LYS 45 -10.694 -6.212 -0.504 351 HZ3 LYS 45 2HZ LYS 45 -11.068 -7.839 -0.296 352 H ASP 46 H ASP 46 -6.562 -7.656 -5.641 353 HA ASP 46 HA ASP 46 -6.720 -10.511 -5.764 354 HB2 ASP 46 2HB ASP 46 -8.335 -8.993 -6.934 355 HB3 ASP 46 3HB ASP 46 -7.060 -8.474 -8.020 356 H TYR 47 H TYR 47 -4.549 -8.090 -7.267 357 HA TYR 47 HA TYR 47 -3.038 -9.780 -8.935 358 HB2 TYR 47 2HB TYR 47 -2.356 -7.153 -7.560 359 HB3 TYR 47 3HB TYR 47 -1.172 -7.974 -8.566 360 HD1 TYR 47 HD2 TYR 47 -4.493 -6.293 -8.615 361 HD2 TYR 47 HD1 TYR 47 -1.308 -7.853 -10.992 362 HE1 TYR 47 HE2 TYR 47 -5.470 -5.238 -10.604 363 HE2 TYR 47 HE1 TYR 47 -2.288 -6.800 -12.987 364 HH TYR 47 HH TYR 47 -4.460 -6.011 -13.771 365 H ILE 48 H ILE 48 -2.582 -8.973 -5.521 366 HA ILE 48 HA ILE 48 -0.076 -10.333 -5.191 367 HB ILE 48 HB ILE 48 -2.039 -9.352 -3.063 368 HG12 ILE 48 2HG1 ILE 48 0.485 -7.928 -4.049 369 HG13 ILE 48 3HG1 ILE 48 -1.138 -7.528 -4.597 370 HG21 ILE 48 1HG2 ILE 48 -0.490 -11.024 -2.157 371 HG22 ILE 48 2HG2 ILE 48 -0.097 -9.426 -1.519 372 HG23 ILE 48 3HG2 ILE 48 0.884 -10.125 -2.811 373 HD11 ILE 48 3HD1 ILE 48 -1.755 -6.906 -2.295 374 HD12 ILE 48 1HD1 ILE 48 -0.398 -5.966 -2.914 375 HD13 ILE 48 2HD1 ILE 48 -0.108 -7.272 -1.765 376 H LYS 49 H LYS 49 -3.470 -11.054 -4.435 377 HA LYS 49 HA LYS 49 -2.978 -13.404 -2.889 378 HB2 LYS 49 2HB LYS 49 -4.988 -11.892 -2.667 379 HB3 LYS 49 3HB LYS 49 -5.574 -12.506 -4.208 380 HG2 LYS 49 2HG LYS 49 -5.715 -14.783 -3.240 381 HG3 LYS 49 3HG LYS 49 -5.139 -14.151 -1.693 382 HD2 LYS 49 2HD LYS 49 -7.156 -12.656 -1.602 383 HD3 LYS 49 3HD LYS 49 -7.738 -13.401 -3.097 384 HE2 LYS 49 2HE LYS 49 -7.787 -15.600 -1.957 385 HE3 LYS 49 3HE LYS 49 -7.238 -14.823 -0.469 386 HZ1 LYS 49 3HZ LYS 49 -9.258 -13.515 -0.445 387 HZ2 LYS 49 1HZ LYS 49 -9.633 -15.160 -0.486 388 HZ3 LYS 49 2HZ LYS 49 -9.780 -14.222 -1.882 389 H LYS 50 H LYS 50 -3.840 -12.799 -6.274 390 HA LYS 50 HA LYS 50 -4.461 -15.480 -7.002 391 HB2 LYS 50 2HB LYS 50 -5.183 -13.529 -8.334 392 HB3 LYS 50 3HB LYS 50 -3.509 -13.170 -8.741 393 HG2 LYS 50 2HG LYS 50 -3.331 -15.240 -10.037 394 HG3 LYS 50 3HG LYS 50 -4.955 -15.722 -9.530 395 HD2 LYS 50 2HD LYS 50 -5.003 -14.822 -11.815 396 HD3 LYS 50 3HD LYS 50 -5.919 -13.783 -10.723 397 HE2 LYS 50 2HE LYS 50 -3.949 -12.245 -10.606 398 HE3 LYS 50 3HE LYS 50 -3.111 -13.273 -11.772 399 HZ1 LYS 50 3HZ LYS 50 -4.131 -11.413 -12.886 400 HZ2 LYS 50 1HZ LYS 50 -5.647 -11.789 -12.248 401 HZ3 LYS 50 2HZ LYS 50 -4.911 -12.828 -13.359 402 H GLN 51 H GLN 51 -1.482 -13.526 -7.319 403 HA GLN 51 HA GLN 51 0.273 -15.555 -8.220 404 HB2 GLN 51 2HB GLN 51 0.878 -13.150 -8.256 405 HB3 GLN 51 3HB GLN 51 0.836 -13.090 -6.500 406 HG2 GLN 51 2HG GLN 51 3.141 -13.135 -7.284 407 HG3 GLN 51 3HG GLN 51 2.791 -14.620 -6.403 408 HE21 GLN 51 1HE2 GLN 51 2.707 -16.583 -7.560 409 HE22 GLN 51 2HE2 GLN 51 3.328 -16.735 -9.164 410 H GLY 52 H GLY 52 -0.839 -14.566 -5.036 411 HA2 GLY 52 2HA GLY 52 -0.812 -15.500 -2.967 412 HA3 GLY 52 3HA GLY 52 -0.656 -17.047 -3.785 413 H CYS 53 H CYS 53 1.453 -14.195 -3.303 414 HA CYS 53 HA CYS 53 3.760 -15.950 -2.984 415 HB2 CYS 53 2HB CYS 53 3.797 -13.777 -4.366 416 HB3 CYS 53 3HB CYS 53 3.818 -12.912 -2.826 417 H LYS 54 H LYS 54 5.026 -16.087 -1.132 418 HA LYS 54 HA LYS 54 3.768 -16.038 1.381 419 HB2 LYS 54 2HB LYS 54 6.745 -16.127 0.711 420 HB3 LYS 54 3HB LYS 54 6.070 -16.476 2.301 421 HG2 LYS 54 2HG LYS 54 4.800 -18.386 1.296 422 HG3 LYS 54 3HG LYS 54 5.599 -18.064 -0.247 423 HD2 LYS 54 2HD LYS 54 7.781 -18.597 0.704 424 HD3 LYS 54 3HD LYS 54 7.095 -18.718 2.329 425 HE2 LYS 54 2HE LYS 54 6.474 -20.568 -0.004 426 HE3 LYS 54 3HE LYS 54 7.501 -20.949 1.381 427 HZ1 LYS 54 3HZ LYS 54 5.567 -20.677 2.830 428 HZ2 LYS 54 1HZ LYS 54 5.289 -21.875 1.666 429 HZ3 LYS 54 2HZ LYS 54 4.589 -20.345 1.497 430 H ARG 55 H ARG 55 6.038 -13.760 -0.114 431 HA ARG 55 HA ARG 55 5.536 -11.784 2.034 432 HB2 ARG 55 2HB ARG 55 8.063 -12.176 0.377 433 HB3 ARG 55 3HB ARG 55 7.782 -10.824 1.473 434 HG2 ARG 55 2HG ARG 55 7.549 -12.523 3.348 435 HG3 ARG 55 3HG ARG 55 8.100 -13.750 2.203 436 HD2 ARG 55 2HD ARG 55 9.973 -12.971 3.556 437 HD3 ARG 55 3HD ARG 55 10.206 -12.468 1.879 438 HE ARG 55 HE ARG 55 9.064 -10.280 2.843 439 HH11 ARG 55 1HH1 ARG 55 11.616 -12.220 4.304 440 HH12 ARG 55 2HH1 ARG 55 12.307 -10.878 5.157 441 HH21 ARG 55 1HH2 ARG 55 9.978 -8.534 3.972 442 HH22 ARG 55 2HH2 ARG 55 11.378 -8.786 4.970 443 H SER 56 H SER 56 4.816 -9.842 1.444 444 HA SER 56 HA SER 56 4.952 -8.918 -1.336 445 HB2 SER 56 2HB SER 56 2.742 -10.020 -1.086 446 HB3 SER 56 3HB SER 56 2.382 -8.985 0.296 447 HG SER 56 HG SER 56 2.707 -8.255 -2.416 448 H ARG 57 H ARG 57 5.862 -6.959 -1.277 449 HA ARG 57 HA ARG 57 5.743 -5.334 1.207 450 HB2 ARG 57 2HB ARG 57 7.970 -6.337 0.667 451 HB3 ARG 57 3HB ARG 57 7.952 -5.525 -0.894 452 HG2 ARG 57 2HG ARG 57 7.965 -3.326 0.289 453 HG3 ARG 57 3HG ARG 57 8.066 -4.188 1.829 454 HD2 ARG 57 2HD ARG 57 10.287 -3.426 1.134 455 HD3 ARG 57 3HD ARG 57 10.218 -5.189 1.118 456 HE ARG 57 HE ARG 57 9.722 -3.773 -1.404 457 HH11 ARG 57 1HH1 ARG 57 11.990 -5.675 0.515 458 HH12 ARG 57 2HH1 ARG 57 13.009 -6.052 -0.838 459 HH21 ARG 57 1HH2 ARG 57 11.078 -4.272 -3.172 460 HH22 ARG 57 2HH2 ARG 57 12.486 -5.252 -2.925 461 H THR 58 H THR 58 4.291 -3.725 0.842 462 HA THR 58 HA THR 58 4.201 -2.325 -1.754 463 HB THR 58 HB THR 58 2.202 -2.045 0.541 464 HG1 THR 58 HG1 THR 58 1.459 -3.918 -0.053 465 HG21 THR 58 3HG2 THR 58 1.975 -1.366 -2.418 466 HG22 THR 58 1HG2 THR 58 2.145 -0.195 -1.103 467 HG23 THR 58 2HG2 THR 58 0.691 -1.188 -1.224 468 H SER 59 H SER 59 5.273 -0.418 -1.880 469 HA SER 59 HA SER 59 5.662 1.234 0.550 470 HB2 SER 59 2HB SER 59 7.752 0.101 -0.565 471 HB3 SER 59 3HB SER 59 7.580 1.337 -1.806 472 HG SER 59 HG SER 59 8.991 1.978 -0.159 473 H ILE 60 H ILE 60 4.985 3.321 0.407 474 HA ILE 60 HA ILE 60 3.813 4.299 -2.134 475 HB ILE 60 HB ILE 60 2.562 4.156 0.640 476 HG12 ILE 60 2HG1 ILE 60 1.605 3.257 -2.113 477 HG13 ILE 60 3HG1 ILE 60 2.092 2.225 -0.773 478 HG21 ILE 60 1HG2 ILE 60 1.548 5.912 -1.610 479 HG22 ILE 60 2HG2 ILE 60 2.263 6.477 -0.101 480 HG23 ILE 60 3HG2 ILE 60 0.735 5.610 -0.077 481 HD11 ILE 60 3HD1 ILE 60 -0.304 2.233 -1.004 482 HD12 ILE 60 1HD1 ILE 60 -0.361 3.990 -0.864 483 HD13 ILE 60 2HD1 ILE 60 0.143 3.006 0.515 484 H THR 61 H THR 61 4.091 6.449 -2.566 485 HA THR 61 HA THR 61 6.017 8.031 -1.214 486 HB THR 61 HB THR 61 3.910 8.854 -3.265 487 HG1 THR 61 HG1 THR 61 6.234 7.395 -3.460 488 HG21 THR 61 3HG2 THR 61 5.455 10.673 -3.868 489 HG22 THR 61 1HG2 THR 61 6.538 10.211 -2.560 490 HG23 THR 61 2HG2 THR 61 4.924 10.832 -2.191 491 H ALA 62 H ALA 62 5.592 8.697 0.835 492 HA ALA 62 HA ALA 62 2.992 9.895 1.584 493 HB1 ALA 62 3HB ALA 62 3.832 9.669 3.898 494 HB2 ALA 62 1HB ALA 62 5.372 9.050 3.287 495 HB3 ALA 62 2HB ALA 62 3.887 8.127 3.043 496 H ARG 63 H ARG 63 2.829 12.118 1.765 497 HA ARG 63 HA ARG 63 5.155 13.774 1.218 498 HB2 ARG 63 2HB ARG 63 2.232 14.483 1.727 499 HB3 ARG 63 3HB ARG 63 3.472 15.670 1.317 500 HG2 ARG 63 2HG ARG 63 2.600 13.334 -0.434 501 HG3 ARG 63 3HG ARG 63 2.179 15.033 -0.680 502 HD2 ARG 63 2HD ARG 63 4.429 15.621 -1.217 503 HD3 ARG 63 3HD ARG 63 5.066 14.091 -0.614 504 HE ARG 63 HE ARG 63 3.285 13.643 -2.786 505 HH11 ARG 63 1HH1 ARG 63 6.545 14.831 -2.102 506 HH12 ARG 63 2HH1 ARG 63 7.166 14.367 -3.654 507 HH21 ARG 63 1HH2 ARG 63 4.168 12.974 -4.803 508 HH22 ARG 63 2HH2 ARG 63 5.825 13.320 -5.177 509 H THR 64 H THR 64 3.114 13.064 3.969 510 HA THR 64 HA THR 64 5.123 14.211 5.807 511 HB THR 64 HB THR 64 3.305 14.838 7.390 512 HG1 THR 64 HG1 THR 64 1.168 14.945 5.823 513 HG21 THR 64 3HG2 THR 64 2.925 16.158 4.677 514 HG22 THR 64 1HG2 THR 64 4.138 16.607 5.882 515 HG23 THR 64 2HG2 THR 64 2.422 16.822 6.231 516 H LYS 65 H LYS 65 4.606 13.229 8.133 517 HA LYS 65 HA LYS 65 4.490 10.361 7.946 518 HB2 LYS 65 2HB LYS 65 4.678 10.376 10.418 519 HB3 LYS 65 3HB LYS 65 5.911 11.364 9.643 520 HG2 LYS 65 2HG LYS 65 4.690 13.409 10.220 521 HG3 LYS 65 3HG LYS 65 3.384 12.452 10.917 522 HD2 LYS 65 2HD LYS 65 4.857 13.390 12.658 523 HD3 LYS 65 3HD LYS 65 4.879 11.625 12.674 524 HE2 LYS 65 2HE LYS 65 7.132 12.596 12.989 525 HE3 LYS 65 3HE LYS 65 7.046 11.619 11.526 526 HZ1 LYS 65 3HZ LYS 65 6.837 14.582 11.587 527 HZ2 LYS 65 1HZ LYS 65 6.903 13.612 10.210 528 HZ3 LYS 65 2HZ LYS 65 8.246 13.730 11.225 529 H LYS 66 H LYS 66 2.147 12.880 8.410 530 HA LYS 66 HA LYS 66 0.040 11.252 9.457 531 HB2 LYS 66 2HB LYS 66 0.376 14.012 9.000 532 HB3 LYS 66 3HB LYS 66 -0.879 13.578 7.860 533 HG2 LYS 66 2HG LYS 66 -0.945 13.193 10.870 534 HG3 LYS 66 3HG LYS 66 -1.862 14.375 9.936 535 HD2 LYS 66 2HD LYS 66 -3.095 12.512 8.825 536 HD3 LYS 66 3HD LYS 66 -2.187 11.347 9.792 537 HE2 LYS 66 2HE LYS 66 -3.151 12.434 11.856 538 HE3 LYS 66 3HE LYS 66 -4.172 13.414 10.804 539 HZ1 LYS 66 3HZ LYS 66 -5.357 11.486 11.607 540 HZ2 LYS 66 1HZ LYS 66 -4.181 10.443 10.976 541 HZ3 LYS 66 2HZ LYS 66 -5.147 11.363 9.937 542 H GLU 67 H GLU 67 1.249 11.965 6.209 543 HA GLU 67 HA GLU 67 -0.822 10.508 4.826 544 HB2 GLU 67 2HB GLU 67 1.996 10.994 3.772 545 HB3 GLU 67 3HB GLU 67 0.542 10.662 2.837 546 HG2 GLU 67 2HG GLU 67 1.306 13.203 4.278 547 HG3 GLU 67 3HG GLU 67 1.084 12.963 2.552 548 H ALA 68 H ALA 68 2.417 9.803 6.059 549 HA ALA 68 HA ALA 68 2.814 7.257 5.006 550 HB1 ALA 68 3HB ALA 68 3.878 8.351 7.632 551 HB2 ALA 68 1HB ALA 68 4.583 8.642 6.041 552 HB3 ALA 68 2HB ALA 68 4.557 7.007 6.707 553 H GLU 69 H GLU 69 1.155 8.201 8.020 554 HA GLU 69 HA GLU 69 0.903 5.528 9.032 555 HB2 GLU 69 2HB GLU 69 -0.597 6.498 10.747 556 HB3 GLU 69 3HB GLU 69 0.897 7.420 10.593 557 HG2 GLU 69 2HG GLU 69 -0.222 9.177 9.375 558 HG3 GLU 69 3HG GLU 69 -1.696 8.222 9.247 559 H LYS 70 H LYS 70 -1.305 7.684 7.184 560 HA LYS 70 HA LYS 70 -3.595 5.992 7.644 561 HB2 LYS 70 2HB LYS 70 -4.848 7.503 6.154 562 HB3 LYS 70 3HB LYS 70 -3.968 8.386 7.392 563 HG2 LYS 70 2HG LYS 70 -2.239 8.983 5.725 564 HG3 LYS 70 3HG LYS 70 -3.155 8.121 4.484 565 HD2 LYS 70 2HD LYS 70 -5.061 9.691 4.798 566 HD3 LYS 70 3HD LYS 70 -4.149 10.548 6.049 567 HE2 LYS 70 2HE LYS 70 -2.432 11.140 4.381 568 HE3 LYS 70 3HE LYS 70 -3.338 10.274 3.143 569 HZ1 LYS 70 3HZ LYS 70 -4.381 12.594 4.640 570 HZ2 LYS 70 1HZ LYS 70 -5.107 11.821 3.330 571 HZ3 LYS 70 2HZ LYS 70 -3.668 12.687 3.110 572 H PHE 71 H PHE 71 -1.447 6.600 4.839 573 HA PHE 71 HA PHE 71 -2.648 4.724 3.081 574 HB2 PHE 71 2HB PHE 71 0.165 5.888 3.177 575 HB3 PHE 71 3HB PHE 71 -0.305 4.713 1.954 576 HD1 PHE 71 HD2 PHE 71 -1.292 8.040 3.304 577 HD2 PHE 71 HD1 PHE 71 -1.292 5.489 -0.072 578 HE1 PHE 71 HE2 PHE 71 -2.115 9.893 1.920 579 HE2 PHE 71 HE1 PHE 71 -2.131 7.333 -1.463 580 HZ PHE 71 HZ PHE 71 -2.543 9.539 -0.469 581 H ALA 72 H ALA 72 -0.148 4.399 5.588 582 HA ALA 72 HA ALA 72 0.684 1.764 5.201 583 HB1 ALA 72 3HB ALA 72 1.658 3.323 6.879 584 HB2 ALA 72 1HB ALA 72 1.287 1.743 7.558 585 HB3 ALA 72 2HB ALA 72 0.227 3.118 7.879 586 H ALA 73 H ALA 73 -2.053 3.019 7.111 587 HA ALA 73 HA ALA 73 -3.065 0.545 8.012 588 HB1 ALA 73 3HB ALA 73 -3.673 2.658 9.077 589 HB2 ALA 73 1HB ALA 73 -5.119 1.796 8.556 590 HB3 ALA 73 2HB ALA 73 -4.530 3.177 7.624 591 H ILE 74 H ILE 74 -3.790 2.487 5.129 592 HA ILE 74 HA ILE 74 -5.917 0.971 4.053 593 HB ILE 74 HB ILE 74 -3.851 2.798 2.713 594 HG12 ILE 74 2HG1 ILE 74 -6.783 3.352 3.367 595 HG13 ILE 74 3HG1 ILE 74 -5.464 3.739 4.457 596 HG21 ILE 74 1HG2 ILE 74 -4.769 1.283 0.986 597 HG22 ILE 74 2HG2 ILE 74 -5.352 2.930 0.749 598 HG23 ILE 74 3HG2 ILE 74 -6.413 1.713 1.463 599 HD11 ILE 74 3HD1 ILE 74 -6.167 5.698 3.273 600 HD12 ILE 74 1HD1 ILE 74 -5.899 4.911 1.717 601 HD13 ILE 74 2HD1 ILE 74 -4.533 5.265 2.777 602 H LEU 75 H LEU 75 -2.457 0.401 4.082 603 HA LEU 75 HA LEU 75 -2.514 -1.771 2.153 604 HB2 LEU 75 2HB LEU 75 -0.324 -1.053 4.150 605 HB3 LEU 75 3HB LEU 75 -0.154 -2.103 2.750 606 HG LEU 75 HG LEU 75 -0.650 0.893 2.697 607 HD11 LEU 75 1HD1 LEU 75 1.567 1.066 1.649 608 HD12 LEU 75 2HD1 LEU 75 1.815 -0.664 1.905 609 HD13 LEU 75 3HD1 LEU 75 1.639 0.418 3.286 610 HD21 LEU 75 3HD2 LEU 75 -0.441 -1.043 0.396 611 HD22 LEU 75 1HD2 LEU 75 -0.415 0.714 0.249 612 HD23 LEU 75 2HD2 LEU 75 -1.848 -0.089 0.876 613 H ILE 76 H ILE 76 -2.410 -1.413 5.679 614 HA ILE 76 HA ILE 76 -2.149 -4.092 6.492 615 HB ILE 76 HB ILE 76 -3.413 -1.676 7.868 616 HG12 ILE 76 2HG1 ILE 76 -0.689 -2.955 8.389 617 HG13 ILE 76 3HG1 ILE 76 -0.933 -1.588 7.313 618 HG21 ILE 76 1HG2 ILE 76 -3.228 -2.849 10.030 619 HG22 ILE 76 2HG2 ILE 76 -2.738 -4.320 9.191 620 HG23 ILE 76 3HG2 ILE 76 -4.355 -3.664 8.942 621 HD11 ILE 76 3HD1 ILE 76 -0.102 -0.886 9.479 622 HD12 ILE 76 1HD1 ILE 76 -1.503 -1.603 10.278 623 HD13 ILE 76 2HD1 ILE 76 -1.712 -0.235 9.176 624 H LYS 77 H LYS 77 -5.045 -2.209 5.610 625 HA LYS 77 HA LYS 77 -7.047 -4.013 6.436 626 HB2 LYS 77 2HB LYS 77 -6.933 -1.716 4.502 627 HB3 LYS 77 3HB LYS 77 -8.264 -2.830 4.292 628 HG2 LYS 77 2HG LYS 77 -9.150 -1.104 5.581 629 HG3 LYS 77 3HG LYS 77 -8.862 -2.389 6.740 630 HD2 LYS 77 2HD LYS 77 -6.862 -0.153 6.354 631 HD3 LYS 77 3HD LYS 77 -8.286 0.075 7.362 632 HE2 LYS 77 2HE LYS 77 -6.169 -2.058 7.800 633 HE3 LYS 77 3HE LYS 77 -6.288 -0.536 8.680 634 HZ1 LYS 77 3HZ LYS 77 -8.422 -1.223 9.544 635 HZ2 LYS 77 1HZ LYS 77 -7.256 -2.382 9.915 636 HZ3 LYS 77 2HZ LYS 77 -8.360 -2.666 8.670 637 H VAL 78 H VAL 78 -5.323 -3.704 3.339 638 HA VAL 78 HA VAL 78 -6.630 -5.719 1.874 639 HB VAL 78 HB VAL 78 -3.818 -4.551 1.648 640 HG11 VAL 78 1HG1 VAL 78 -5.210 -6.323 -0.385 641 HG12 VAL 78 2HG1 VAL 78 -3.775 -6.739 0.552 642 HG13 VAL 78 3HG1 VAL 78 -3.700 -5.450 -0.651 643 HG21 VAL 78 3HG2 VAL 78 -6.374 -3.951 0.105 644 HG22 VAL 78 1HG2 VAL 78 -4.793 -3.238 -0.236 645 HG23 VAL 78 2HG2 VAL 78 -5.598 -2.909 1.299 646 H TYR 79 H TYR 79 -3.572 -5.845 3.745 647 HA TYR 79 HA TYR 79 -3.083 -8.616 3.270 648 HB2 TYR 79 2HB TYR 79 -1.882 -6.672 5.269 649 HB3 TYR 79 3HB TYR 79 -1.329 -8.332 5.098 650 HD1 TYR 79 HD1 TYR 79 -0.600 -9.060 2.679 651 HD2 TYR 79 HD2 TYR 79 -0.839 -4.999 3.945 652 HE1 TYR 79 HE1 TYR 79 0.934 -8.405 0.883 653 HE2 TYR 79 HE2 TYR 79 0.699 -4.332 2.149 654 HH TYR 79 HH TYR 79 2.621 -5.686 0.786 655 H ALA 80 H ALA 80 -4.929 -6.926 5.707 656 HA ALA 80 HA ALA 80 -5.139 -8.981 7.654 657 HB1 ALA 80 3HB ALA 80 -7.139 -6.804 6.973 658 HB2 ALA 80 1HB ALA 80 -5.804 -6.657 8.115 659 HB3 ALA 80 2HB ALA 80 -7.129 -7.777 8.448 660 H GLU 81 H GLU 81 -7.088 -8.132 4.815 661 HA GLU 81 HA GLU 81 -9.006 -10.214 4.969 662 HB2 GLU 81 2HB GLU 81 -7.966 -8.667 2.551 663 HB3 GLU 81 3HB GLU 81 -9.401 -9.691 2.543 664 HG2 GLU 81 2HG GLU 81 -10.496 -8.198 4.173 665 HG3 GLU 81 3HG GLU 81 -9.052 -7.187 4.229 666 H LEU 82 H LEU 82 -5.788 -9.989 3.545 667 HA LEU 82 HA LEU 82 -5.854 -12.435 2.062 668 HB2 LEU 82 2HB LEU 82 -3.454 -10.789 2.976 669 HB3 LEU 82 3HB LEU 82 -3.393 -12.105 1.813 670 HG LEU 82 HG LEU 82 -4.816 -9.445 1.422 671 HD11 LEU 82 1HD1 LEU 82 -2.335 -10.548 0.077 672 HD12 LEU 82 2HD1 LEU 82 -2.399 -9.217 1.243 673 HD13 LEU 82 3HD1 LEU 82 -3.156 -9.039 -0.338 674 HD21 LEU 82 3HD2 LEU 82 -5.286 -10.200 -0.866 675 HD22 LEU 82 1HD2 LEU 82 -6.083 -11.213 0.335 676 HD23 LEU 82 2HD2 LEU 82 -4.629 -11.794 -0.481 677 H GLY 83 H GLY 83 -5.135 -11.693 5.419 678 HA2 GLY 83 2HA GLY 83 -5.300 -14.411 6.186 679 HA3 GLY 83 3HA GLY 83 -3.603 -13.960 6.118 680 H TYR 84 H TYR 84 -2.781 -12.493 7.669 681 HA TYR 84 HA TYR 84 -4.207 -12.749 10.212 682 HB2 TYR 84 2HB TYR 84 -1.293 -12.313 9.473 683 HB3 TYR 84 3HB TYR 84 -1.850 -12.065 11.125 684 HD1 TYR 84 HD2 TYR 84 -1.721 -14.647 8.401 685 HD2 TYR 84 HD1 TYR 84 -2.070 -13.927 12.605 686 HE1 TYR 84 HE2 TYR 84 -1.568 -17.061 8.827 687 HE2 TYR 84 HE1 TYR 84 -1.919 -16.346 13.027 688 HH TYR 84 HH TYR 84 -0.988 -18.604 10.643 689 H ASN 85 H ASN 85 -4.216 -11.093 11.776 690 HA ASN 85 HA ASN 85 -4.683 -8.396 10.808 691 HB2 ASN 85 2HB ASN 85 -4.745 -9.555 13.639 692 HB3 ASN 85 3HB ASN 85 -5.251 -7.925 13.207 693 HD21 ASN 85 1HD2 ASN 85 -7.323 -8.273 14.009 694 HD22 ASN 85 2HD2 ASN 85 -8.477 -9.272 13.204 695 H ASP 86 H ASP 86 -2.179 -10.182 12.519 696 HA ASP 86 HA ASP 86 -0.532 -7.957 13.248 697 HB2 ASP 86 2HB ASP 86 0.090 -10.929 12.938 698 HB3 ASP 86 3HB ASP 86 1.307 -9.752 13.424 699 H ILE 87 H ILE 87 0.149 -6.625 11.714 700 HA ILE 87 HA ILE 87 1.299 -7.671 9.189 701 HB ILE 87 HB ILE 87 -0.193 -5.019 9.555 702 HG12 ILE 87 2HG1 ILE 87 -1.805 -6.873 9.696 703 HG13 ILE 87 3HG1 ILE 87 -2.018 -6.029 8.168 704 HG21 ILE 87 1HG2 ILE 87 -0.089 -4.838 7.092 705 HG22 ILE 87 2HG2 ILE 87 0.860 -6.324 7.011 706 HG23 ILE 87 3HG2 ILE 87 1.525 -4.893 7.804 707 HD11 ILE 87 3HD1 ILE 87 -2.219 -8.376 7.809 708 HD12 ILE 87 1HD1 ILE 87 -0.685 -8.696 8.615 709 HD13 ILE 87 2HD1 ILE 87 -0.710 -7.850 7.065 710 H ASN 88 H ASN 88 3.242 -6.735 8.524 711 HA ASN 88 HA ASN 88 4.783 -5.298 10.557 712 HB2 ASN 88 2HB ASN 88 5.783 -7.270 9.398 713 HB3 ASN 88 3HB ASN 88 5.609 -6.468 7.841 714 HD21 ASN 88 1HD2 ASN 88 7.002 -4.683 7.367 715 HD22 ASN 88 2HD2 ASN 88 8.465 -4.421 8.245 716 H VAL 89 H VAL 89 4.995 -3.130 10.475 717 HA VAL 89 HA VAL 89 4.847 -1.695 7.899 718 HB VAL 89 HB VAL 89 2.617 -1.432 8.905 719 HG11 VAL 89 1HG1 VAL 89 2.236 -0.301 11.049 720 HG12 VAL 89 2HG1 VAL 89 3.977 -0.231 11.337 721 HG13 VAL 89 3HG1 VAL 89 3.157 -1.793 11.272 722 HG21 VAL 89 3HG2 VAL 89 2.463 1.027 8.906 723 HG22 VAL 89 1HG2 VAL 89 3.545 0.463 7.630 724 HG23 VAL 89 2HG2 VAL 89 4.213 1.151 9.113 725 H THR 90 H THR 90 6.200 -0.014 7.730 726 HA THR 90 HA THR 90 7.692 1.055 9.997 727 HB THR 90 HB THR 90 9.160 -0.751 9.225 728 HG1 THR 90 HG1 THR 90 10.096 1.294 9.806 729 HG21 THR 90 3HG2 THR 90 9.114 0.519 6.469 730 HG22 THR 90 1HG2 THR 90 8.378 -1.029 6.899 731 HG23 THR 90 2HG2 THR 90 10.131 -0.833 6.963 732 H TRP 91 H TRP 91 8.211 3.209 9.683 733 HA TRP 91 HA TRP 91 7.184 4.483 7.206 734 HB2 TRP 91 2HB TRP 91 7.428 5.679 10.009 735 HB3 TRP 91 3HB TRP 91 6.727 6.465 8.597 736 HD1 TRP 91 HD1 TRP 91 4.253 5.659 7.846 737 HE1 TRP 91 HE1 TRP 91 2.387 4.451 9.123 738 HE3 TRP 91 HE3 TRP 91 6.987 3.841 11.770 739 HZ2 TRP 91 HZ2 TRP 91 2.090 2.932 11.463 740 HZ3 TRP 91 HZ3 TRP 91 5.827 2.506 13.486 741 HH2 TRP 91 HH2 TRP 91 3.427 2.061 13.333 742 H ASP 92 H ASP 92 9.001 4.627 5.977 743 HA ASP 92 HA ASP 92 11.632 5.194 6.796 744 HB2 ASP 92 2HB ASP 92 11.316 4.200 4.646 745 HB3 ASP 92 3HB ASP 92 10.162 5.421 4.147 746 H GLY 93 H GLY 93 9.047 7.327 5.616 747 HA2 GLY 93 2HA GLY 93 9.142 9.486 7.128 748 HA3 GLY 93 3HA GLY 93 10.581 9.778 6.153 749 H ASP 94 H ASP 94 10.373 10.079 3.899 750 HA ASP 94 HA ASP 94 7.846 11.201 2.971 751 HB2 ASP 94 2HB ASP 94 9.088 11.847 0.936 752 HB3 ASP 94 3HB ASP 94 9.962 12.342 2.378 753 H THR 95 H THR 95 9.012 8.125 3.193 754 HA THR 95 HA THR 95 6.961 7.158 1.324 755 HB THR 95 HB THR 95 9.664 5.730 1.574 756 HG1 THR 95 HG1 THR 95 9.819 7.879 0.551 757 HG21 THR 95 3HG2 THR 95 7.763 4.342 0.804 758 HG22 THR 95 1HG2 THR 95 8.963 4.577 -0.471 759 HG23 THR 95 2HG2 THR 95 7.457 5.496 -0.498 760 H VAL 96 H VAL 96 5.778 5.443 2.204 761 HA VAL 96 HA VAL 96 6.640 4.322 4.819 762 HB VAL 96 HB VAL 96 4.494 5.491 5.001 763 HG11 VAL 96 1HG1 VAL 96 3.414 3.638 2.849 764 HG12 VAL 96 2HG1 VAL 96 3.691 5.373 2.688 765 HG13 VAL 96 3HG1 VAL 96 2.458 4.778 3.804 766 HG21 VAL 96 3HG2 VAL 96 3.154 3.698 6.000 767 HG22 VAL 96 1HG2 VAL 96 4.859 3.476 6.377 768 HG23 VAL 96 2HG2 VAL 96 4.091 2.480 5.138 769 H THR 97 H THR 97 6.619 2.052 5.062 770 HA THR 97 HA THR 97 6.195 0.421 2.631 771 HB THR 97 HB THR 97 8.546 0.172 4.574 772 HG1 THR 97 HG1 THR 97 8.206 1.567 2.207 773 HG21 THR 97 3HG2 THR 97 7.876 -2.014 3.615 774 HG22 THR 97 1HG2 THR 97 9.434 -1.478 2.984 775 HG23 THR 97 2HG2 THR 97 7.986 -1.331 1.989 776 H VAL 98 H VAL 98 5.006 -1.347 2.991 777 HA VAL 98 HA VAL 98 4.676 -2.466 5.710 778 HB VAL 98 HB VAL 98 2.528 -1.980 3.587 779 HG11 VAL 98 1HG1 VAL 98 0.936 -3.263 4.983 780 HG12 VAL 98 2HG1 VAL 98 2.265 -3.760 6.033 781 HG13 VAL 98 3HG1 VAL 98 2.226 -4.291 4.350 782 HG21 VAL 98 3HG2 VAL 98 2.646 -1.218 6.532 783 HG22 VAL 98 1HG2 VAL 98 1.324 -0.847 5.421 784 HG23 VAL 98 2HG2 VAL 98 2.915 -0.124 5.172 785 H GLU 99 H GLU 99 5.033 -4.597 5.831 786 HA GLU 99 HA GLU 99 5.425 -6.217 3.381 787 HB2 GLU 99 2HB GLU 99 7.568 -5.754 4.473 788 HB3 GLU 99 3HB GLU 99 6.931 -6.238 6.040 789 HG2 GLU 99 2HG GLU 99 8.399 -7.965 5.173 790 HG3 GLU 99 3HG GLU 99 6.748 -8.570 5.242 791 H GLY 100 H GLY 100 4.451 -8.210 3.359 792 HA2 GLY 100 2HA GLY 100 2.538 -8.999 5.374 793 HA3 GLY 100 3HA GLY 100 3.041 -9.931 3.965 794 H GLN 101 H GLN 101 3.490 -9.463 7.353 795 HA GLN 101 HA GLN 101 6.023 -10.838 7.574 796 HB2 GLN 101 2HB GLN 101 5.749 -10.617 10.002 797 HB3 GLN 101 3HB GLN 101 5.433 -9.083 9.200 798 HG2 GLN 101 2HG GLN 101 3.058 -9.313 9.515 799 HG3 GLN 101 3HG GLN 101 3.238 -10.968 10.096 800 HE21 GLN 101 1HE2 GLN 101 3.994 -11.318 12.222 801 HE22 GLN 101 2HE2 GLN 101 4.048 -10.051 13.395 802 H LEU 102 H LEU 102 6.369 -12.779 8.748 803 HA LEU 102 HA LEU 102 4.416 -14.884 8.261 804 HB2 LEU 102 2HB LEU 102 7.037 -14.911 7.864 805 HB3 LEU 102 3HB LEU 102 7.138 -15.243 9.574 806 HG LEU 102 HG LEU 102 7.339 -17.258 8.043 807 HD11 LEU 102 1HD1 LEU 102 5.079 -17.453 10.044 808 HD12 LEU 102 2HD1 LEU 102 6.802 -17.605 10.391 809 HD13 LEU 102 3HD1 LEU 102 6.007 -18.800 9.371 810 HD21 LEU 102 3HD2 LEU 102 4.375 -16.829 7.551 811 HD22 LEU 102 1HD2 LEU 102 5.336 -18.212 7.019 812 HD23 LEU 102 2HD2 LEU 102 5.669 -16.609 6.370 813 H GLU 103 H GLU 103 3.558 -16.206 9.959 814 HA GLU 103 HA GLU 103 2.781 -14.867 12.329 815 HB2 GLU 103 2HB GLU 103 1.696 -17.013 12.948 816 HB3 GLU 103 3HB GLU 103 1.336 -16.531 11.292 817 HG2 GLU 103 2HG GLU 103 3.016 -18.126 10.441 818 HG3 GLU 103 3HG GLU 103 3.414 -18.603 12.090 819 H GLY 104 H GLY 104 3.151 -15.473 14.533 820 HA2 GLY 104 2HA GLY 104 5.440 -17.136 15.260 821 HA3 GLY 104 3HA GLY 104 5.614 -15.409 15.574 822 H VAL 105 H VAL 105 3.014 -17.796 15.880 823 HA VAL 105 HA VAL 105 2.484 -16.989 18.685 824 HB VAL 105 HB VAL 105 0.026 -16.964 18.184 825 HG11 VAL 105 1HG1 VAL 105 -0.058 -14.761 17.067 826 HG12 VAL 105 2HG1 VAL 105 1.615 -14.955 16.536 827 HG13 VAL 105 3HG1 VAL 105 1.245 -14.835 18.257 828 HG21 VAL 105 3HG2 VAL 105 -0.783 -16.821 15.836 829 HG22 VAL 105 1HG2 VAL 105 -0.026 -18.380 16.175 830 HG23 VAL 105 2HG2 VAL 105 0.851 -17.159 15.250 831 H ASP 106 H ASP 106 1.271 -18.611 19.919 832 HA ASP 106 HA ASP 106 1.032 -21.302 18.748 833 HB2 ASP 106 2HB ASP 106 3.324 -21.285 19.651 834 HB3 ASP 106 3HB ASP 106 2.740 -20.697 21.207 Start of MODEL 16 1 H1 MET 1 1H MET 1 -4.543 37.843 -7.806 2 H2 MET 1 2H MET 1 -3.059 38.239 -8.506 3 H3 MET 1 3H MET 1 -3.185 38.089 -6.836 4 HA MET 1 HA MET 1 -3.640 35.768 -6.999 5 HB2 MET 1 2HB MET 1 -4.835 35.830 -9.168 6 HB3 MET 1 3HB MET 1 -3.342 36.216 -10.010 7 HG2 MET 1 2HG MET 1 -3.999 33.864 -10.311 8 HG3 MET 1 3HG MET 1 -2.447 33.998 -9.480 9 HE1 MET 1 3HE MET 1 -3.943 30.795 -7.810 10 HE2 MET 1 1HE MET 1 -2.560 31.492 -8.653 11 HE3 MET 1 2HE MET 1 -4.091 31.271 -9.502 12 H HIS 2 H HIS 2 -1.784 35.854 -5.763 13 HA HIS 2 HA HIS 2 0.713 35.186 -7.180 14 HB2 HIS 2 2HB HIS 2 0.481 37.175 -4.871 15 HB3 HIS 2 3HB HIS 2 2.002 36.425 -5.347 16 HD1 HIS 2 HD1 HIS 2 0.439 39.515 -5.739 17 HD2 HIS 2 HD2 HIS 2 2.259 36.919 -8.432 18 HE1 HIS 2 HE1 HIS 2 1.005 40.907 -7.753 19 HE2 HIS 2 HE2 HIS 2 2.320 39.366 -9.247 20 H HIS 3 H HIS 3 0.863 33.111 -6.696 21 HA HIS 3 HA HIS 3 -0.202 31.947 -4.304 22 HB2 HIS 3 2HB HIS 3 0.468 29.785 -5.244 23 HB3 HIS 3 3HB HIS 3 -0.342 30.757 -6.469 24 HD1 HIS 3 HD1 HIS 3 1.924 28.332 -6.686 25 HD2 HIS 3 HD2 HIS 3 2.311 32.353 -7.674 26 HE1 HIS 3 HE1 HIS 3 3.834 28.446 -8.313 27 HE2 HIS 3 HE2 HIS 3 3.899 30.858 -9.027 28 H HIS 4 H HIS 4 0.889 32.650 -2.522 29 HA HIS 4 HA HIS 4 3.767 32.572 -2.250 30 HB2 HIS 4 2HB HIS 4 1.602 32.956 -0.137 31 HB3 HIS 4 3HB HIS 4 3.328 33.227 0.112 32 HD1 HIS 4 HD1 HIS 4 0.332 35.027 -0.662 33 HD2 HIS 4 HD2 HIS 4 4.303 35.332 -1.866 34 HE1 HIS 4 HE1 HIS 4 0.582 37.341 -1.615 35 HE2 HIS 4 HE2 HIS 4 3.008 37.528 -2.253 36 H HIS 5 H HIS 5 1.404 30.177 -2.150 37 HA HIS 5 HA HIS 5 2.770 28.339 -0.361 38 HB2 HIS 5 2HB HIS 5 0.514 27.889 -2.390 39 HB3 HIS 5 3HB HIS 5 1.129 26.649 -1.307 40 HD1 HIS 5 HD1 HIS 5 -0.031 26.439 0.894 41 HD2 HIS 5 HD2 HIS 5 -0.795 30.105 -0.915 42 HE1 HIS 5 HE1 HIS 5 -1.796 27.539 2.298 43 HE2 HIS 5 HE2 HIS 5 -2.178 29.784 1.240 44 H HIS 6 H HIS 6 4.812 29.063 -1.735 45 HA HIS 6 HA HIS 6 5.190 27.797 -4.312 46 HB2 HIS 6 2HB HIS 6 6.318 29.910 -3.858 47 HB3 HIS 6 3HB HIS 6 7.123 29.245 -2.447 48 HD1 HIS 6 HD1 HIS 6 9.279 27.984 -2.800 49 HD2 HIS 6 HD2 HIS 6 7.458 29.087 -6.366 50 HE1 HIS 6 HE1 HIS 6 10.970 27.505 -4.590 51 HE2 HIS 6 HE2 HIS 6 9.781 28.019 -6.744 52 H HIS 7 H HIS 7 4.591 25.677 -3.592 53 HA HIS 7 HA HIS 7 6.884 24.012 -2.915 54 HB2 HIS 7 2HB HIS 7 4.237 23.837 -1.389 55 HB3 HIS 7 3HB HIS 7 5.480 22.592 -1.345 56 HD1 HIS 7 HD1 HIS 7 7.745 23.239 -0.117 57 HD2 HIS 7 HD2 HIS 7 4.666 26.002 0.303 58 HE1 HIS 7 HE1 HIS 7 8.475 24.793 1.721 59 HE2 HIS 7 HE2 HIS 7 6.578 26.432 1.974 60 H ARG 8 H ARG 8 6.528 21.793 -3.550 61 HA ARG 8 HA ARG 8 4.593 21.538 -5.769 62 HB2 ARG 8 2HB ARG 8 7.297 20.209 -5.337 63 HB3 ARG 8 3HB ARG 8 6.180 19.728 -6.604 64 HG2 ARG 8 2HG ARG 8 7.457 22.465 -6.335 65 HG3 ARG 8 3HG ARG 8 7.966 21.197 -7.447 66 HD2 ARG 8 2HD ARG 8 6.687 22.722 -8.735 67 HD3 ARG 8 3HD ARG 8 5.639 21.325 -8.481 68 HE ARG 8 HE ARG 8 5.243 23.349 -6.508 69 HH11 ARG 8 1HH1 ARG 8 4.392 22.558 -9.834 70 HH12 ARG 8 2HH1 ARG 8 2.932 23.496 -9.796 71 HH21 ARG 8 1HH2 ARG 8 3.315 24.516 -6.462 72 HH22 ARG 8 2HH2 ARG 8 2.330 24.603 -7.885 73 H SER 9 H SER 9 2.981 20.174 -5.533 74 HA SER 9 HA SER 9 2.822 18.268 -3.363 75 HB2 SER 9 2HB SER 9 0.527 17.821 -4.395 76 HB3 SER 9 3HB SER 9 0.797 19.485 -3.883 77 HG SER 9 HG SER 9 0.561 20.112 -5.871 78 H GLY 10 H GLY 10 4.185 16.576 -3.665 79 HA2 GLY 10 2HA GLY 10 4.726 15.248 -6.149 80 HA3 GLY 10 3HA GLY 10 5.172 14.702 -4.538 81 H ASP 11 H ASP 11 3.844 13.390 -6.980 82 HA ASP 11 HA ASP 11 1.179 12.671 -6.134 83 HB2 ASP 11 2HB ASP 11 2.927 11.610 -8.394 84 HB3 ASP 11 3HB ASP 11 1.271 11.073 -8.109 85 H ILE 12 H ILE 12 0.458 10.546 -5.709 86 HA ILE 12 HA ILE 12 2.135 9.143 -3.812 87 HB ILE 12 HB ILE 12 -0.707 8.568 -4.750 88 HG12 ILE 12 2HG1 ILE 12 0.189 9.955 -2.188 89 HG13 ILE 12 3HG1 ILE 12 -0.433 10.793 -3.602 90 HG21 ILE 12 1HG2 ILE 12 0.774 7.454 -2.352 91 HG22 ILE 12 2HG2 ILE 12 0.336 6.560 -3.809 92 HG23 ILE 12 3HG2 ILE 12 -0.925 7.164 -2.736 93 HD11 ILE 12 3HD1 ILE 12 -1.959 8.848 -1.865 94 HD12 ILE 12 1HD1 ILE 12 -2.592 9.635 -3.316 95 HD13 ILE 12 2HD1 ILE 12 -2.135 10.601 -1.915 96 H GLN 13 H GLN 13 3.687 7.965 -4.810 97 HA GLN 13 HA GLN 13 3.167 6.229 -7.083 98 HB2 GLN 13 2HB GLN 13 5.250 7.511 -7.040 99 HB3 GLN 13 3HB GLN 13 5.683 6.838 -5.479 100 HG2 GLN 13 2HG GLN 13 6.985 5.876 -7.348 101 HG3 GLN 13 3HG GLN 13 6.067 4.659 -6.461 102 HE21 GLN 13 1HE2 GLN 13 4.507 3.501 -7.524 103 HE22 GLN 13 2HE2 GLN 13 4.188 3.640 -9.214 104 H VAL 14 H VAL 14 2.606 4.191 -6.846 105 HA VAL 14 HA VAL 14 2.533 2.914 -4.183 106 HB VAL 14 HB VAL 14 0.877 2.155 -6.655 107 HG11 VAL 14 1HG1 VAL 14 0.388 1.583 -3.708 108 HG12 VAL 14 2HG1 VAL 14 1.012 0.437 -4.896 109 HG13 VAL 14 3HG1 VAL 14 -0.628 1.066 -5.057 110 HG21 VAL 14 3HG2 VAL 14 -1.011 3.463 -5.761 111 HG22 VAL 14 1HG2 VAL 14 0.362 4.495 -6.171 112 HG23 VAL 14 2HG2 VAL 14 0.027 4.102 -4.484 113 H GLN 15 H GLN 15 4.185 1.429 -4.041 114 HA GLN 15 HA GLN 15 4.931 -0.109 -6.475 115 HB2 GLN 15 2HB GLN 15 6.751 0.957 -4.257 116 HB3 GLN 15 3HB GLN 15 7.271 -0.169 -5.509 117 HG2 GLN 15 2HG GLN 15 6.858 1.489 -7.246 118 HG3 GLN 15 3HG GLN 15 6.182 2.606 -6.067 119 HE21 GLN 15 1HE2 GLN 15 9.138 1.128 -7.239 120 HE22 GLN 15 2HE2 GLN 15 10.219 2.260 -6.504 121 H ASN 16 H ASN 16 3.927 -2.017 -6.126 122 HA ASN 16 HA ASN 16 4.302 -3.391 -3.525 123 HB2 ASN 16 2HB ASN 16 1.960 -3.328 -4.282 124 HB3 ASN 16 3HB ASN 16 2.400 -4.010 -5.845 125 HD21 ASN 16 1HD2 ASN 16 2.097 -4.695 -2.412 126 HD22 ASN 16 2HD2 ASN 16 2.052 -6.415 -2.564 127 H ASN 17 H ASN 17 5.649 -5.052 -3.419 128 HA ASN 17 HA ASN 17 7.076 -5.955 -5.827 129 HB2 ASN 17 2HB ASN 17 8.535 -5.073 -4.092 130 HB3 ASN 17 3HB ASN 17 7.761 -6.047 -2.854 131 HD21 ASN 17 1HD2 ASN 17 8.841 -7.131 -6.081 132 HD22 ASN 17 2HD2 ASN 17 10.021 -8.230 -5.486 133 H ASN 18 H ASN 18 6.143 -7.678 -6.665 134 HA ASN 18 HA ASN 18 5.552 -10.028 -4.998 135 HB2 ASN 18 2HB ASN 18 3.373 -8.903 -5.391 136 HB3 ASN 18 3HB ASN 18 3.686 -8.841 -7.120 137 HD21 ASN 18 1HD2 ASN 18 3.631 -10.825 -8.316 138 HD22 ASN 18 2HD2 ASN 18 2.769 -12.197 -7.716 139 H THR 19 H THR 19 6.879 -11.531 -5.798 140 HA THR 19 HA THR 19 7.311 -11.817 -8.674 141 HB THR 19 HB THR 19 9.070 -10.237 -8.054 142 HG1 THR 19 HG1 THR 19 9.910 -11.531 -9.547 143 HG21 THR 19 3HG2 THR 19 10.827 -10.736 -6.414 144 HG22 THR 19 1HG2 THR 19 10.035 -12.256 -5.991 145 HG23 THR 19 2HG2 THR 19 9.246 -10.717 -5.633 146 H CYS 20 H CYS 20 7.199 -13.859 -9.176 147 HA CYS 20 HA CYS 20 8.285 -16.022 -7.542 148 HB2 CYS 20 2HB CYS 20 5.349 -15.868 -8.366 149 HB3 CYS 20 3HB CYS 20 6.134 -17.346 -7.814 150 H ASN 21 H ASN 21 8.059 -18.172 -8.913 151 HA ASN 21 HA ASN 21 9.082 -17.717 -11.547 152 HB2 ASN 21 2HB ASN 21 8.122 -20.297 -10.243 153 HB3 ASN 21 3HB ASN 21 8.959 -20.217 -11.791 154 HD21 ASN 21 1HD2 ASN 21 11.193 -19.611 -11.806 155 HD22 ASN 21 2HD2 ASN 21 12.164 -19.764 -10.383 156 H GLY 22 H GLY 22 7.588 -16.527 -12.675 157 HA2 GLY 22 2HA GLY 22 5.696 -17.646 -14.314 158 HA3 GLY 22 3HA GLY 22 4.789 -17.181 -12.873 159 H LYS 23 H LYS 23 4.379 -16.049 -15.454 160 HA LYS 23 HA LYS 23 5.733 -13.491 -15.607 161 HB2 LYS 23 2HB LYS 23 3.326 -14.485 -17.210 162 HB3 LYS 23 3HB LYS 23 4.301 -13.064 -17.573 163 HG2 LYS 23 2HG LYS 23 6.293 -14.606 -17.862 164 HG3 LYS 23 3HG LYS 23 5.181 -15.960 -17.689 165 HD2 LYS 23 2HD LYS 23 5.393 -15.761 -20.012 166 HD3 LYS 23 3HD LYS 23 3.890 -14.896 -19.699 167 HE2 LYS 23 2HE LYS 23 6.617 -13.605 -20.107 168 HE3 LYS 23 3HE LYS 23 5.358 -13.733 -21.329 169 HZ1 LYS 23 3HZ LYS 23 5.175 -12.194 -18.793 170 HZ2 LYS 23 1HZ LYS 23 3.926 -12.352 -19.923 171 HZ3 LYS 23 2HZ LYS 23 5.355 -11.556 -20.343 172 H THR 24 H THR 24 5.239 -12.712 -13.535 173 HA THR 24 HA THR 24 2.669 -11.325 -13.311 174 HB THR 24 HB THR 24 2.218 -13.319 -12.020 175 HG1 THR 24 HG1 THR 24 2.759 -11.019 -10.445 176 HG21 THR 24 3HG2 THR 24 4.482 -14.150 -11.562 177 HG22 THR 24 1HG2 THR 24 3.537 -14.052 -10.073 178 HG23 THR 24 2HG2 THR 24 4.757 -12.827 -10.427 179 H PHE 25 H PHE 25 3.698 -9.441 -13.773 180 HA PHE 25 HA PHE 25 6.141 -8.538 -12.616 181 HB2 PHE 25 2HB PHE 25 3.940 -6.984 -14.045 182 HB3 PHE 25 3HB PHE 25 5.501 -6.303 -13.598 183 HD1 PHE 25 HD1 PHE 25 7.611 -7.697 -14.487 184 HD2 PHE 25 HD2 PHE 25 3.710 -7.794 -16.243 185 HE1 PHE 25 HE1 PHE 25 8.584 -8.431 -16.627 186 HE2 PHE 25 HE2 PHE 25 4.691 -8.527 -18.377 187 HZ PHE 25 HZ PHE 25 7.128 -8.846 -18.571 188 H ASP 26 H ASP 26 6.326 -6.539 -11.352 189 HA ASP 26 HA ASP 26 4.880 -6.708 -8.883 190 HB2 ASP 26 2HB ASP 26 6.925 -4.639 -9.817 191 HB3 ASP 26 3HB ASP 26 6.436 -4.934 -8.150 192 H TYR 27 H TYR 27 3.304 -5.255 -8.071 193 HA TYR 27 HA TYR 27 1.764 -3.991 -10.219 194 HB2 TYR 27 2HB TYR 27 0.828 -4.324 -7.349 195 HB3 TYR 27 3HB TYR 27 -0.154 -4.190 -8.809 196 HD1 TYR 27 HD1 TYR 27 0.609 -6.149 -10.662 197 HD2 TYR 27 HD2 TYR 27 0.814 -6.464 -6.407 198 HE1 TYR 27 HE1 TYR 27 0.619 -8.606 -10.838 199 HE2 TYR 27 HE2 TYR 27 0.821 -8.905 -6.586 200 HH TYR 27 HH TYR 27 0.331 -10.655 -8.035 201 H THR 28 H THR 28 3.173 -2.219 -10.495 202 HA THR 28 HA THR 28 3.179 -0.134 -8.451 203 HB THR 28 HB THR 28 4.617 1.057 -10.296 204 HG1 THR 28 HG1 THR 28 5.599 -0.346 -11.759 205 HG21 THR 28 3HG2 THR 28 5.567 0.229 -8.207 206 HG22 THR 28 1HG2 THR 28 6.653 -0.118 -9.559 207 HG23 THR 28 2HG2 THR 28 5.664 -1.411 -8.873 208 H TYR 29 H TYR 29 2.038 1.692 -8.565 209 HA TYR 29 HA TYR 29 0.474 2.420 -10.973 210 HB2 TYR 29 2HB TYR 29 -0.622 2.421 -8.105 211 HB3 TYR 29 3HB TYR 29 -1.488 2.924 -9.551 212 HD1 TYR 29 HD1 TYR 29 -2.154 1.184 -11.269 213 HD2 TYR 29 HD2 TYR 29 -0.550 0.089 -7.460 214 HE1 TYR 29 HE1 TYR 29 -3.036 -1.088 -11.542 215 HE2 TYR 29 HE2 TYR 29 -1.432 -2.191 -7.740 216 HH TYR 29 HH TYR 29 -3.309 -3.294 -9.038 217 H THR 30 H THR 30 0.008 4.749 -11.052 218 HA THR 30 HA THR 30 1.269 6.409 -8.938 219 HB THR 30 HB THR 30 1.318 7.049 -11.933 220 HG1 THR 30 HG1 THR 30 3.288 6.019 -10.156 221 HG21 THR 30 3HG2 THR 30 2.811 8.917 -11.268 222 HG22 THR 30 1HG2 THR 30 2.552 8.524 -9.568 223 HG23 THR 30 2HG2 THR 30 1.206 9.098 -10.561 224 H VAL 31 H VAL 31 -0.377 7.300 -7.899 225 HA VAL 31 HA VAL 31 -2.801 8.178 -9.379 226 HB VAL 31 HB VAL 31 -4.129 7.758 -7.398 227 HG11 VAL 31 1HG1 VAL 31 -2.335 5.355 -7.929 228 HG12 VAL 31 2HG1 VAL 31 -3.776 5.806 -8.843 229 HG13 VAL 31 3HG1 VAL 31 -3.927 5.300 -7.161 230 HG21 VAL 31 3HG2 VAL 31 -1.589 6.924 -5.961 231 HG22 VAL 31 1HG2 VAL 31 -3.228 6.785 -5.315 232 HG23 VAL 31 2HG2 VAL 31 -2.539 8.375 -5.643 233 H THR 32 H THR 32 -3.663 10.209 -8.881 234 HA THR 32 HA THR 32 -1.844 12.095 -7.500 235 HB THR 32 HB THR 32 -2.356 12.671 -9.848 236 HG1 THR 32 HG1 THR 32 -2.101 14.314 -8.168 237 HG21 THR 32 3HG2 THR 32 -5.252 12.968 -8.975 238 HG22 THR 32 1HG2 THR 32 -4.631 11.725 -10.064 239 HG23 THR 32 2HG2 THR 32 -4.589 13.420 -10.547 240 H THR 33 H THR 33 -4.861 10.514 -7.183 241 HA THR 33 HA THR 33 -5.761 12.334 -5.022 242 HB THR 33 HB THR 33 -7.572 10.507 -6.677 243 HG1 THR 33 HG1 THR 33 -6.683 11.978 -8.122 244 HG21 THR 33 3HG2 THR 33 -8.186 12.978 -5.007 245 HG22 THR 33 1HG2 THR 33 -8.515 11.308 -4.529 246 HG23 THR 33 2HG2 THR 33 -9.357 12.014 -5.909 247 H GLU 34 H GLU 34 -6.399 11.368 -3.089 248 HA GLU 34 HA GLU 34 -5.138 8.941 -2.334 249 HB2 GLU 34 2HB GLU 34 -7.161 10.689 -0.895 250 HB3 GLU 34 3HB GLU 34 -6.299 9.357 -0.137 251 HG2 GLU 34 2HG GLU 34 -4.155 10.507 -0.514 252 HG3 GLU 34 3HG GLU 34 -5.003 11.823 -1.326 253 H SER 35 H SER 35 -8.421 9.683 -3.322 254 HA SER 35 HA SER 35 -9.682 7.280 -2.549 255 HB2 SER 35 2HB SER 35 -10.962 9.250 -3.257 256 HB3 SER 35 3HB SER 35 -10.314 9.113 -4.894 257 HG SER 35 HG SER 35 -12.445 8.175 -4.559 258 H GLU 36 H GLU 36 -7.911 8.192 -5.499 259 HA GLU 36 HA GLU 36 -8.354 5.846 -7.005 260 HB2 GLU 36 2HB GLU 36 -5.948 7.709 -7.089 261 HB3 GLU 36 3HB GLU 36 -6.379 6.538 -8.329 262 HG2 GLU 36 2HG GLU 36 -8.456 7.822 -8.796 263 HG3 GLU 36 3HG GLU 36 -7.977 8.997 -7.565 264 H LEU 37 H LEU 37 -5.994 6.691 -4.534 265 HA LEU 37 HA LEU 37 -4.206 4.538 -4.762 266 HB2 LEU 37 2HB LEU 37 -3.725 6.532 -3.429 267 HB3 LEU 37 3HB LEU 37 -5.053 6.170 -2.341 268 HG LEU 37 HG LEU 37 -3.841 4.177 -1.500 269 HD11 LEU 37 1HD1 LEU 37 -1.501 3.770 -2.112 270 HD12 LEU 37 2HD1 LEU 37 -1.604 5.014 -3.358 271 HD13 LEU 37 3HD1 LEU 37 -2.584 3.551 -3.484 272 HD21 LEU 37 3HD2 LEU 37 -2.161 6.700 -1.417 273 HD22 LEU 37 1HD2 LEU 37 -2.068 5.347 -0.285 274 HD23 LEU 37 2HD2 LEU 37 -3.531 6.326 -0.365 275 H GLN 38 H GLN 38 -7.227 4.875 -2.959 276 HA GLN 38 HA GLN 38 -7.203 2.300 -1.728 277 HB2 GLN 38 2HB GLN 38 -9.586 4.117 -2.287 278 HB3 GLN 38 3HB GLN 38 -9.533 2.799 -1.118 279 HG2 GLN 38 2HG GLN 38 -7.881 4.009 0.228 280 HG3 GLN 38 3HG GLN 38 -7.813 5.294 -0.981 281 HE21 GLN 38 1HE2 GLN 38 -8.489 6.925 0.409 282 HE22 GLN 38 2HE2 GLN 38 -10.086 7.016 1.060 283 H LYS 39 H LYS 39 -8.404 3.528 -4.808 284 HA LYS 39 HA LYS 39 -9.906 1.220 -5.591 285 HB2 LYS 39 2HB LYS 39 -9.037 3.763 -6.893 286 HB3 LYS 39 3HB LYS 39 -9.208 2.420 -8.000 287 HG2 LYS 39 2HG LYS 39 -11.263 3.417 -8.168 288 HG3 LYS 39 3HG LYS 39 -11.603 2.170 -6.976 289 HD2 LYS 39 2HD LYS 39 -10.898 5.009 -6.177 290 HD3 LYS 39 3HD LYS 39 -12.547 4.547 -6.594 291 HE2 LYS 39 2HE LYS 39 -12.522 2.873 -4.771 292 HE3 LYS 39 3HE LYS 39 -10.887 3.386 -4.337 293 HZ1 LYS 39 3HZ LYS 39 -13.342 5.065 -4.258 294 HZ2 LYS 39 1HZ LYS 39 -11.781 5.636 -3.937 295 HZ3 LYS 39 2HZ LYS 39 -12.484 4.477 -2.927 296 H VAL 40 H VAL 40 -6.540 2.283 -6.198 297 HA VAL 40 HA VAL 40 -5.978 0.091 -7.972 298 HB VAL 40 HB VAL 40 -3.647 0.811 -7.983 299 HG11 VAL 40 1HG1 VAL 40 -3.929 3.064 -8.929 300 HG12 VAL 40 2HG1 VAL 40 -5.538 3.179 -8.209 301 HG13 VAL 40 3HG1 VAL 40 -5.213 1.974 -9.459 302 HG21 VAL 40 3HG2 VAL 40 -4.385 2.824 -5.837 303 HG22 VAL 40 1HG2 VAL 40 -2.842 2.751 -6.692 304 HG23 VAL 40 2HG2 VAL 40 -3.332 1.424 -5.638 305 H LEU 41 H LEU 41 -5.680 0.614 -4.516 306 HA LEU 41 HA LEU 41 -4.224 -1.802 -3.958 307 HB2 LEU 41 2HB LEU 41 -5.518 0.372 -2.390 308 HB3 LEU 41 3HB LEU 41 -5.626 -1.190 -1.607 309 HG LEU 41 HG LEU 41 -3.686 0.002 -0.775 310 HD11 LEU 41 1HD1 LEU 41 -1.919 -1.654 -1.174 311 HD12 LEU 41 2HD1 LEU 41 -2.825 -2.313 -2.537 312 HD13 LEU 41 3HD1 LEU 41 -3.484 -2.415 -0.900 313 HD21 LEU 41 3HD2 LEU 41 -2.645 0.143 -3.625 314 HD22 LEU 41 1HD2 LEU 41 -1.770 0.644 -2.172 315 HD23 LEU 41 2HD2 LEU 41 -3.233 1.498 -2.658 316 H ASN 42 H ASN 42 -7.619 -0.933 -4.225 317 HA ASN 42 HA ASN 42 -8.922 -3.211 -3.281 318 HB2 ASN 42 2HB ASN 42 -10.209 -1.240 -3.831 319 HB3 ASN 42 3HB ASN 42 -9.636 -1.239 -5.491 320 HD21 ASN 42 1HD2 ASN 42 -11.693 -1.180 -6.346 321 HD22 ASN 42 2HD2 ASN 42 -12.805 -2.501 -6.251 322 H GLU 43 H GLU 43 -7.797 -2.517 -6.609 323 HA GLU 43 HA GLU 43 -8.469 -5.135 -7.618 324 HB2 GLU 43 2HB GLU 43 -7.399 -4.356 -9.719 325 HB3 GLU 43 3HB GLU 43 -8.566 -3.194 -9.099 326 HG2 GLU 43 2HG GLU 43 -6.692 -1.853 -8.158 327 HG3 GLU 43 3HG GLU 43 -5.549 -2.992 -8.864 328 H LEU 44 H LEU 44 -5.560 -3.595 -6.383 329 HA LEU 44 HA LEU 44 -3.546 -5.354 -7.234 330 HB2 LEU 44 2HB LEU 44 -3.181 -3.133 -6.279 331 HB3 LEU 44 3HB LEU 44 -3.778 -3.649 -4.724 332 HG LEU 44 HG LEU 44 -1.240 -4.899 -5.849 333 HD11 LEU 44 1HD1 LEU 44 0.075 -3.127 -4.699 334 HD12 LEU 44 2HD1 LEU 44 -1.414 -2.237 -4.371 335 HD13 LEU 44 3HD1 LEU 44 -0.875 -2.480 -6.035 336 HD21 LEU 44 3HD2 LEU 44 -2.188 -4.333 -3.012 337 HD22 LEU 44 1HD2 LEU 44 -0.662 -5.109 -3.452 338 HD23 LEU 44 2HD2 LEU 44 -2.190 -5.904 -3.813 339 H LYS 45 H LYS 45 -5.763 -5.547 -4.514 340 HA LYS 45 HA LYS 45 -4.764 -7.622 -2.989 341 HB2 LYS 45 2HB LYS 45 -6.702 -6.226 -2.376 342 HB3 LYS 45 3HB LYS 45 -7.672 -6.969 -3.638 343 HG2 LYS 45 2HG LYS 45 -7.630 -9.104 -2.482 344 HG3 LYS 45 3HG LYS 45 -6.481 -8.477 -1.297 345 HD2 LYS 45 2HD LYS 45 -8.779 -8.590 -0.384 346 HD3 LYS 45 3HD LYS 45 -8.162 -6.937 -0.411 347 HE2 LYS 45 2HE LYS 45 -9.452 -6.520 -2.497 348 HE3 LYS 45 3HE LYS 45 -10.101 -8.160 -2.407 349 HZ1 LYS 45 3HZ LYS 45 -10.471 -6.096 -0.295 350 HZ2 LYS 45 1HZ LYS 45 -11.196 -7.619 -0.357 351 HZ3 LYS 45 2HZ LYS 45 -11.606 -6.446 -1.498 352 H ASP 46 H ASP 46 -6.885 -7.812 -5.802 353 HA ASP 46 HA ASP 46 -7.239 -10.620 -5.908 354 HB2 ASP 46 2HB ASP 46 -7.385 -8.542 -8.142 355 HB3 ASP 46 3HB ASP 46 -8.050 -10.172 -8.230 356 H TYR 47 H TYR 47 -4.801 -8.455 -7.183 357 HA TYR 47 HA TYR 47 -3.667 -10.294 -9.057 358 HB2 TYR 47 2HB TYR 47 -2.637 -7.659 -7.949 359 HB3 TYR 47 3HB TYR 47 -1.840 -8.562 -9.229 360 HD1 TYR 47 HD2 TYR 47 -4.028 -9.425 -10.971 361 HD2 TYR 47 HD1 TYR 47 -3.512 -5.704 -8.945 362 HE1 TYR 47 HE2 TYR 47 -5.401 -8.306 -12.677 363 HE2 TYR 47 HE1 TYR 47 -4.882 -4.580 -10.647 364 HH TYR 47 HH TYR 47 -5.624 -4.893 -12.952 365 H ILE 48 H ILE 48 -2.827 -9.360 -5.708 366 HA ILE 48 HA ILE 48 -0.435 -10.956 -5.556 367 HB ILE 48 HB ILE 48 -2.228 -9.910 -3.300 368 HG12 ILE 48 2HG1 ILE 48 0.429 -8.886 -4.412 369 HG13 ILE 48 3HG1 ILE 48 -1.136 -8.092 -4.548 370 HG21 ILE 48 1HG2 ILE 48 -0.993 -11.901 -2.512 371 HG22 ILE 48 2HG2 ILE 48 -0.386 -10.442 -1.732 372 HG23 ILE 48 3HG2 ILE 48 0.530 -11.184 -3.045 373 HD11 ILE 48 3HD1 ILE 48 0.216 -7.010 -2.888 374 HD12 ILE 48 1HD1 ILE 48 0.428 -8.523 -2.006 375 HD13 ILE 48 2HD1 ILE 48 -1.169 -7.775 -2.112 376 H LYS 49 H LYS 49 -3.847 -11.467 -4.711 377 HA LYS 49 HA LYS 49 -3.630 -14.051 -3.565 378 HB2 LYS 49 2HB LYS 49 -5.538 -12.457 -3.228 379 HB3 LYS 49 3HB LYS 49 -6.065 -12.760 -4.878 380 HG2 LYS 49 2HG LYS 49 -6.507 -15.116 -4.318 381 HG3 LYS 49 3HG LYS 49 -5.895 -14.850 -2.685 382 HD2 LYS 49 2HD LYS 49 -7.754 -13.210 -2.290 383 HD3 LYS 49 3HD LYS 49 -8.388 -13.580 -3.896 384 HE2 LYS 49 2HE LYS 49 -8.103 -15.548 -1.598 385 HE3 LYS 49 3HE LYS 49 -9.607 -14.818 -2.161 386 HZ1 LYS 49 3HZ LYS 49 -7.867 -16.650 -3.730 387 HZ2 LYS 49 1HZ LYS 49 -9.288 -15.928 -4.297 388 HZ3 LYS 49 2HZ LYS 49 -9.355 -17.045 -3.033 389 H LYS 50 H LYS 50 -3.717 -12.972 -6.845 390 HA LYS 50 HA LYS 50 -4.563 -15.143 -8.335 391 HB2 LYS 50 2HB LYS 50 -3.940 -12.958 -9.299 392 HB3 LYS 50 3HB LYS 50 -2.251 -13.241 -8.902 393 HG2 LYS 50 2HG LYS 50 -2.266 -15.194 -10.491 394 HG3 LYS 50 3HG LYS 50 -3.913 -14.753 -10.941 395 HD2 LYS 50 2HD LYS 50 -2.503 -13.854 -12.633 396 HD3 LYS 50 3HD LYS 50 -3.002 -12.478 -11.656 397 HE2 LYS 50 2HE LYS 50 -0.338 -13.888 -11.275 398 HE3 LYS 50 3HE LYS 50 -0.559 -12.546 -12.393 399 HZ1 LYS 50 3HZ LYS 50 0.323 -11.825 -10.268 400 HZ2 LYS 50 1HZ LYS 50 -1.043 -12.414 -9.466 401 HZ3 LYS 50 2HZ LYS 50 -1.191 -11.135 -10.558 402 H GLN 51 H GLN 51 -1.399 -14.619 -6.821 403 HA GLN 51 HA GLN 51 -0.539 -17.365 -7.575 404 HB2 GLN 51 2HB GLN 51 1.244 -14.959 -6.949 405 HB3 GLN 51 3HB GLN 51 1.778 -16.548 -7.478 406 HG2 GLN 51 2HG GLN 51 0.181 -14.570 -9.116 407 HG3 GLN 51 3HG GLN 51 1.900 -14.906 -9.285 408 HE21 GLN 51 1HE2 GLN 51 1.701 -17.780 -9.089 409 HE22 GLN 51 2HE2 GLN 51 0.919 -18.334 -10.525 410 H GLY 52 H GLY 52 1.141 -18.235 -5.929 411 HA2 GLY 52 2HA GLY 52 0.097 -17.924 -3.193 412 HA3 GLY 52 3HA GLY 52 1.138 -19.210 -3.786 413 H CYS 53 H CYS 53 1.793 -15.828 -4.398 414 HA CYS 53 HA CYS 53 4.403 -15.950 -3.219 415 HB2 CYS 53 2HB CYS 53 2.870 -13.548 -4.280 416 HB3 CYS 53 3HB CYS 53 4.605 -13.622 -3.981 417 H LYS 54 H LYS 54 4.404 -16.148 -1.039 418 HA LYS 54 HA LYS 54 2.461 -14.915 0.711 419 HB2 LYS 54 2HB LYS 54 4.981 -16.515 1.323 420 HB3 LYS 54 3HB LYS 54 3.779 -16.051 2.522 421 HG2 LYS 54 2HG LYS 54 3.264 -17.853 0.135 422 HG3 LYS 54 3HG LYS 54 3.536 -18.401 1.791 423 HD2 LYS 54 2HD LYS 54 1.490 -17.133 2.497 424 HD3 LYS 54 3HD LYS 54 1.210 -16.708 0.805 425 HE2 LYS 54 2HE LYS 54 0.925 -19.072 0.230 426 HE3 LYS 54 3HE LYS 54 1.296 -19.546 1.890 427 HZ1 LYS 54 3HZ LYS 54 -1.073 -19.534 1.542 428 HZ2 LYS 54 1HZ LYS 54 -1.038 -17.928 1.014 429 HZ3 LYS 54 2HZ LYS 54 -0.667 -18.298 2.621 430 H ARG 55 H ARG 55 5.350 -13.810 -0.642 431 HA ARG 55 HA ARG 55 5.790 -11.796 1.490 432 HB2 ARG 55 2HB ARG 55 7.768 -13.176 1.084 433 HB3 ARG 55 3HB ARG 55 7.671 -12.898 -0.649 434 HG2 ARG 55 2HG ARG 55 8.231 -10.530 -0.327 435 HG3 ARG 55 3HG ARG 55 8.255 -10.756 1.422 436 HD2 ARG 55 2HD ARG 55 10.174 -12.292 1.203 437 HD3 ARG 55 3HD ARG 55 10.131 -12.097 -0.554 438 HE ARG 55 HE ARG 55 10.432 -9.581 0.112 439 HH11 ARG 55 1HH1 ARG 55 12.034 -12.307 1.646 440 HH12 ARG 55 2HH1 ARG 55 13.443 -11.394 2.085 441 HH21 ARG 55 1HH2 ARG 55 12.269 -8.390 0.667 442 HH22 ARG 55 2HH2 ARG 55 13.573 -9.152 1.524 443 H SER 56 H SER 56 5.041 -9.818 1.028 444 HA SER 56 HA SER 56 5.260 -8.725 -1.682 445 HB2 SER 56 2HB SER 56 2.957 -7.716 -1.491 446 HB3 SER 56 3HB SER 56 2.939 -9.473 -1.595 447 HG SER 56 HG SER 56 3.007 -8.405 0.972 448 H ARG 57 H ARG 57 6.619 -7.026 -1.396 449 HA ARG 57 HA ARG 57 6.473 -5.426 1.083 450 HB2 ARG 57 2HB ARG 57 8.718 -6.243 0.423 451 HB3 ARG 57 3HB ARG 57 8.589 -5.394 -1.111 452 HG2 ARG 57 2HG ARG 57 8.572 -3.233 0.045 453 HG3 ARG 57 3HG ARG 57 8.578 -4.041 1.614 454 HD2 ARG 57 2HD ARG 57 10.803 -4.154 -0.458 455 HD3 ARG 57 3HD ARG 57 10.815 -3.220 1.044 456 HE ARG 57 HE ARG 57 10.422 -6.088 1.280 457 HH11 ARG 57 1HH1 ARG 57 12.769 -3.463 1.512 458 HH12 ARG 57 2HH1 ARG 57 13.889 -4.412 2.437 459 HH21 ARG 57 1HH2 ARG 57 11.848 -7.274 2.500 460 HH22 ARG 57 2HH2 ARG 57 13.360 -6.587 3.000 461 H THR 58 H THR 58 5.062 -3.759 0.928 462 HA THR 58 HA THR 58 4.771 -2.353 -1.666 463 HB THR 58 HB THR 58 2.696 -2.275 0.558 464 HG1 THR 58 HG1 THR 58 1.966 -4.173 -0.052 465 HG21 THR 58 3HG2 THR 58 2.496 -1.945 -2.474 466 HG22 THR 58 1HG2 THR 58 2.476 -0.622 -1.299 467 HG23 THR 58 2HG2 THR 58 1.166 -1.802 -1.325 468 H SER 59 H SER 59 5.148 -0.215 -1.726 469 HA SER 59 HA SER 59 5.580 1.303 0.750 470 HB2 SER 59 2HB SER 59 7.753 0.307 -0.319 471 HB3 SER 59 3HB SER 59 7.506 1.489 -1.602 472 HG SER 59 HG SER 59 7.714 2.080 1.168 473 H ILE 60 H ILE 60 4.407 3.099 0.657 474 HA ILE 60 HA ILE 60 3.338 4.087 -1.935 475 HB ILE 60 HB ILE 60 2.059 3.946 0.834 476 HG12 ILE 60 2HG1 ILE 60 1.246 2.684 -1.824 477 HG13 ILE 60 3HG1 ILE 60 1.940 1.836 -0.446 478 HG21 ILE 60 1HG2 ILE 60 1.487 6.109 -0.163 479 HG22 ILE 60 2HG2 ILE 60 0.075 5.056 -0.092 480 HG23 ILE 60 3HG2 ILE 60 0.920 5.296 -1.623 481 HD11 ILE 60 3HD1 ILE 60 -0.439 1.456 -0.609 482 HD12 ILE 60 1HD1 ILE 60 -0.762 3.185 -0.511 483 HD13 ILE 60 2HD1 ILE 60 -0.063 2.334 0.871 484 H THR 61 H THR 61 4.086 6.083 -2.450 485 HA THR 61 HA THR 61 5.660 7.690 -0.739 486 HB THR 61 HB THR 61 4.293 8.523 -3.330 487 HG1 THR 61 HG1 THR 61 6.543 6.975 -2.782 488 HG21 THR 61 3HG2 THR 61 6.113 10.187 -3.517 489 HG22 THR 61 1HG2 THR 61 6.733 9.703 -1.939 490 HG23 THR 61 2HG2 THR 61 5.148 10.477 -2.069 491 H ALA 62 H ALA 62 4.717 8.386 1.031 492 HA ALA 62 HA ALA 62 2.293 10.068 0.943 493 HB1 ALA 62 3HB ALA 62 2.207 8.189 2.495 494 HB2 ALA 62 1HB ALA 62 2.299 9.701 3.394 495 HB3 ALA 62 2HB ALA 62 3.733 8.690 3.227 496 H ARG 63 H ARG 63 2.586 12.242 1.245 497 HA ARG 63 HA ARG 63 5.224 13.263 0.872 498 HB2 ARG 63 2HB ARG 63 2.531 14.604 1.280 499 HB3 ARG 63 3HB ARG 63 4.007 15.522 0.998 500 HG2 ARG 63 2HG ARG 63 2.972 13.397 -0.909 501 HG3 ARG 63 3HG ARG 63 2.603 15.113 -1.051 502 HD2 ARG 63 2HD ARG 63 5.406 13.969 -1.051 503 HD3 ARG 63 3HD ARG 63 4.483 14.380 -2.503 504 HE ARG 63 HE ARG 63 4.428 16.661 -1.034 505 HH11 ARG 63 1HH1 ARG 63 7.085 14.671 -2.197 506 HH12 ARG 63 2HH1 ARG 63 8.188 16.002 -2.294 507 HH21 ARG 63 1HH2 ARG 63 5.886 18.382 -1.130 508 HH22 ARG 63 2HH2 ARG 63 7.501 18.105 -1.689 509 H THR 64 H THR 64 3.318 12.788 3.707 510 HA THR 64 HA THR 64 5.572 13.721 5.363 511 HB THR 64 HB THR 64 3.980 14.594 7.071 512 HG1 THR 64 HG1 THR 64 1.967 14.429 5.085 513 HG21 THR 64 3HG2 THR 64 3.629 15.935 4.364 514 HG22 THR 64 1HG2 THR 64 4.934 16.252 5.514 515 HG23 THR 64 2HG2 THR 64 3.271 16.679 5.927 516 H LYS 65 H LYS 65 5.467 12.756 7.586 517 HA LYS 65 HA LYS 65 5.025 9.975 7.661 518 HB2 LYS 65 2HB LYS 65 6.638 11.172 9.125 519 HB3 LYS 65 3HB LYS 65 5.303 11.958 9.959 520 HG2 LYS 65 2HG LYS 65 4.518 9.603 10.635 521 HG3 LYS 65 3HG LYS 65 6.069 9.025 10.020 522 HD2 LYS 65 2HD LYS 65 6.217 9.336 12.441 523 HD3 LYS 65 3HD LYS 65 7.250 10.517 11.635 524 HE2 LYS 65 2HE LYS 65 5.538 12.263 11.966 525 HE3 LYS 65 3HE LYS 65 4.465 11.084 12.727 526 HZ1 LYS 65 3HZ LYS 65 6.073 10.812 14.513 527 HZ2 LYS 65 1HZ LYS 65 5.647 12.442 14.364 528 HZ3 LYS 65 2HZ LYS 65 7.135 11.898 13.778 529 H LYS 66 H LYS 66 2.983 12.708 8.561 530 HA LYS 66 HA LYS 66 0.981 11.250 9.987 531 HB2 LYS 66 2HB LYS 66 1.527 13.950 9.648 532 HB3 LYS 66 3HB LYS 66 0.098 13.782 8.649 533 HG2 LYS 66 2HG LYS 66 0.299 13.063 11.595 534 HG3 LYS 66 3HG LYS 66 -0.446 14.521 10.939 535 HD2 LYS 66 2HD LYS 66 -2.214 13.211 9.888 536 HD3 LYS 66 3HD LYS 66 -1.420 11.699 10.337 537 HE2 LYS 66 2HE LYS 66 -2.600 13.726 12.274 538 HE3 LYS 66 3HE LYS 66 -3.313 12.177 11.823 539 HZ1 LYS 66 3HZ LYS 66 -1.353 11.074 12.767 540 HZ2 LYS 66 1HZ LYS 66 -2.189 11.980 13.922 541 HZ3 LYS 66 2HZ LYS 66 -0.747 12.567 13.264 542 H GLU 67 H GLU 67 1.585 11.844 6.607 543 HA GLU 67 HA GLU 67 -0.937 10.737 5.669 544 HB2 GLU 67 2HB GLU 67 1.643 11.448 4.222 545 HB3 GLU 67 3HB GLU 67 0.196 10.855 3.407 546 HG2 GLU 67 2HG GLU 67 -1.053 12.811 4.055 547 HG3 GLU 67 3HG GLU 67 0.261 13.371 5.089 548 H ALA 68 H ALA 68 2.332 9.645 6.288 549 HA ALA 68 HA ALA 68 2.227 7.180 4.890 550 HB1 ALA 68 3HB ALA 68 4.005 7.972 7.223 551 HB2 ALA 68 1HB ALA 68 4.325 8.333 5.525 552 HB3 ALA 68 2HB ALA 68 4.292 6.659 6.078 553 H GLU 69 H GLU 69 1.393 8.120 8.198 554 HA GLU 69 HA GLU 69 0.992 5.474 9.192 555 HB2 GLU 69 2HB GLU 69 -0.091 6.556 11.131 556 HB3 GLU 69 3HB GLU 69 1.445 7.318 10.734 557 HG2 GLU 69 2HG GLU 69 0.312 9.183 9.682 558 HG3 GLU 69 3HG GLU 69 -1.253 8.404 9.903 559 H LYS 70 H LYS 70 -1.205 7.862 7.659 560 HA LYS 70 HA LYS 70 -3.574 6.310 8.217 561 HB2 LYS 70 2HB LYS 70 -4.807 7.904 6.849 562 HB3 LYS 70 3HB LYS 70 -3.726 8.753 7.940 563 HG2 LYS 70 2HG LYS 70 -2.158 9.184 6.072 564 HG3 LYS 70 3HG LYS 70 -3.221 8.311 4.972 565 HD2 LYS 70 2HD LYS 70 -5.012 9.972 5.311 566 HD3 LYS 70 3HD LYS 70 -4.026 10.828 6.500 567 HE2 LYS 70 2HE LYS 70 -2.422 11.462 4.792 568 HE3 LYS 70 3HE LYS 70 -3.243 10.470 3.590 569 HZ1 LYS 70 3HZ LYS 70 -5.155 11.921 3.717 570 HZ2 LYS 70 1HZ LYS 70 -3.774 12.824 3.354 571 HZ3 LYS 70 2HZ LYS 70 -4.419 12.858 4.918 572 H PHE 71 H PHE 71 -1.267 6.453 5.581 573 HA PHE 71 HA PHE 71 -2.832 4.761 3.815 574 HB2 PHE 71 2HB PHE 71 -0.006 5.784 3.572 575 HB3 PHE 71 3HB PHE 71 -0.841 4.836 2.340 576 HD1 PHE 71 HD1 PHE 71 -3.547 6.643 3.317 577 HD2 PHE 71 HD2 PHE 71 0.247 7.295 1.627 578 HE1 PHE 71 HE1 PHE 71 -4.382 8.700 2.267 579 HE2 PHE 71 HE2 PHE 71 -0.550 9.384 0.578 580 HZ PHE 71 HZ PHE 71 -2.879 10.080 0.889 581 H ALA 72 H ALA 72 -0.512 4.284 6.331 582 HA ALA 72 HA ALA 72 0.261 1.632 5.918 583 HB1 ALA 72 3HB ALA 72 -0.512 2.946 8.545 584 HB2 ALA 72 1HB ALA 72 1.081 3.012 7.794 585 HB3 ALA 72 2HB ALA 72 0.441 1.470 8.369 586 H ALA 73 H ALA 73 -2.671 2.975 7.406 587 HA ALA 73 HA ALA 73 -4.048 0.611 7.949 588 HB1 ALA 73 3HB ALA 73 -6.074 2.002 8.039 589 HB2 ALA 73 1HB ALA 73 -5.207 3.327 7.242 590 HB3 ALA 73 2HB ALA 73 -4.720 2.788 8.849 591 H ILE 74 H ILE 74 -3.920 2.530 4.942 592 HA ILE 74 HA ILE 74 -5.861 1.190 3.409 593 HB ILE 74 HB ILE 74 -3.296 2.624 2.516 594 HG12 ILE 74 2HG1 ILE 74 -6.227 3.483 2.622 595 HG13 ILE 74 3HG1 ILE 74 -4.922 4.078 3.641 596 HG21 ILE 74 1HG2 ILE 74 -4.264 2.715 0.235 597 HG22 ILE 74 2HG2 ILE 74 -5.600 1.688 0.755 598 HG23 ILE 74 3HG2 ILE 74 -3.959 1.049 0.736 599 HD11 ILE 74 3HD1 ILE 74 -3.857 5.097 1.671 600 HD12 ILE 74 1HD1 ILE 74 -5.495 5.691 1.956 601 HD13 ILE 74 2HD1 ILE 74 -5.204 4.525 0.668 602 H LEU 75 H LEU 75 -2.474 0.364 4.048 603 HA LEU 75 HA LEU 75 -2.425 -1.873 2.231 604 HB2 LEU 75 2HB LEU 75 -0.522 -1.029 4.450 605 HB3 LEU 75 3HB LEU 75 -0.226 -2.397 3.385 606 HG LEU 75 HG LEU 75 -0.481 0.505 2.490 607 HD11 LEU 75 1HD1 LEU 75 1.984 -1.262 2.595 608 HD12 LEU 75 2HD1 LEU 75 1.632 0.090 3.673 609 HD13 LEU 75 3HD1 LEU 75 1.903 0.383 1.957 610 HD21 LEU 75 3HD2 LEU 75 0.201 -0.349 0.267 611 HD22 LEU 75 1HD2 LEU 75 -1.362 -0.979 0.784 612 HD23 LEU 75 2HD2 LEU 75 0.073 -2.002 0.870 613 H ILE 76 H ILE 76 -2.863 -1.510 5.740 614 HA ILE 76 HA ILE 76 -2.759 -4.279 6.406 615 HB ILE 76 HB ILE 76 -4.090 -1.976 7.939 616 HG12 ILE 76 2HG1 ILE 76 -1.285 -3.107 8.360 617 HG13 ILE 76 3HG1 ILE 76 -1.601 -1.703 7.359 618 HG21 ILE 76 1HG2 ILE 76 -3.787 -3.384 9.953 619 HG22 ILE 76 2HG2 ILE 76 -3.166 -4.696 8.951 620 HG23 ILE 76 3HG2 ILE 76 -4.840 -4.168 8.772 621 HD11 ILE 76 3HD1 ILE 76 -0.797 -1.084 9.545 622 HD12 ILE 76 1HD1 ILE 76 -2.161 -1.903 10.314 623 HD13 ILE 76 2HD1 ILE 76 -2.437 -0.492 9.284 624 H LYS 77 H LYS 77 -5.425 -2.083 5.574 625 HA LYS 77 HA LYS 77 -7.596 -3.773 6.274 626 HB2 LYS 77 2HB LYS 77 -7.254 -1.195 4.803 627 HB3 LYS 77 3HB LYS 77 -8.662 -2.116 4.317 628 HG2 LYS 77 2HG LYS 77 -9.478 -0.640 5.919 629 HG3 LYS 77 3HG LYS 77 -9.324 -2.153 6.796 630 HD2 LYS 77 2HD LYS 77 -7.193 0.004 6.935 631 HD3 LYS 77 3HD LYS 77 -8.617 0.054 7.967 632 HE2 LYS 77 2HE LYS 77 -6.643 -2.249 7.900 633 HE3 LYS 77 3HE LYS 77 -6.611 -0.936 9.073 634 HZ1 LYS 77 3HZ LYS 77 -8.729 -1.596 9.905 635 HZ2 LYS 77 1HZ LYS 77 -7.730 -2.954 9.873 636 HZ3 LYS 77 2HZ LYS 77 -8.921 -2.763 8.694 637 H VAL 78 H VAL 78 -5.708 -3.450 3.305 638 HA VAL 78 HA VAL 78 -7.464 -5.087 1.671 639 HB VAL 78 HB VAL 78 -4.652 -3.979 1.218 640 HG11 VAL 78 1HG1 VAL 78 -6.453 -5.370 -0.788 641 HG12 VAL 78 2HG1 VAL 78 -4.881 -5.926 -0.198 642 HG13 VAL 78 3HG1 VAL 78 -4.987 -4.471 -1.191 643 HG21 VAL 78 3HG2 VAL 78 -5.758 -2.318 -0.223 644 HG22 VAL 78 1HG2 VAL 78 -6.387 -2.249 1.423 645 HG23 VAL 78 2HG2 VAL 78 -7.334 -3.021 0.149 646 H TYR 79 H TYR 79 -4.257 -5.493 3.200 647 HA TYR 79 HA TYR 79 -3.741 -8.020 1.973 648 HB2 TYR 79 2HB TYR 79 -2.285 -6.340 4.053 649 HB3 TYR 79 3HB TYR 79 -1.662 -7.882 3.465 650 HD1 TYR 79 HD1 TYR 79 -3.330 -5.148 1.486 651 HD2 TYR 79 HD2 TYR 79 0.216 -7.248 2.259 652 HE1 TYR 79 HE1 TYR 79 -2.288 -4.022 -0.406 653 HE2 TYR 79 HE2 TYR 79 1.325 -6.139 0.351 654 HH TYR 79 HH TYR 79 0.446 -5.047 -1.848 655 H ALA 80 H ALA 80 -4.895 -7.005 5.184 656 HA ALA 80 HA ALA 80 -4.567 -9.531 6.464 657 HB1 ALA 80 3HB ALA 80 -6.513 -7.312 7.144 658 HB2 ALA 80 1HB ALA 80 -4.860 -7.454 7.738 659 HB3 ALA 80 2HB ALA 80 -6.066 -8.660 8.197 660 H GLU 81 H GLU 81 -6.978 -8.328 4.231 661 HA GLU 81 HA GLU 81 -9.037 -10.261 4.597 662 HB2 GLU 81 2HB GLU 81 -8.190 -8.749 2.083 663 HB3 GLU 81 3HB GLU 81 -9.669 -9.695 2.218 664 HG2 GLU 81 2HG GLU 81 -10.457 -8.178 4.019 665 HG3 GLU 81 3HG GLU 81 -8.986 -7.223 3.832 666 H LEU 82 H LEU 82 -6.055 -10.223 2.738 667 HA LEU 82 HA LEU 82 -6.427 -12.810 1.488 668 HB2 LEU 82 2HB LEU 82 -3.916 -11.085 1.749 669 HB3 LEU 82 3HB LEU 82 -4.100 -12.476 0.687 670 HG LEU 82 HG LEU 82 -5.628 -9.853 0.455 671 HD11 LEU 82 1HD1 LEU 82 -4.398 -9.544 -1.642 672 HD12 LEU 82 2HD1 LEU 82 -3.476 -11.020 -1.338 673 HD13 LEU 82 3HD1 LEU 82 -3.304 -9.628 -0.262 674 HD21 LEU 82 3HD2 LEU 82 -5.806 -12.362 -1.233 675 HD22 LEU 82 1HD2 LEU 82 -6.522 -10.805 -1.653 676 HD23 LEU 82 2HD2 LEU 82 -7.073 -11.664 -0.219 677 H GLY 83 H GLY 83 -5.197 -11.589 4.452 678 HA2 GLY 83 2HA GLY 83 -5.185 -13.434 6.202 679 HA3 GLY 83 3HA GLY 83 -3.937 -14.172 5.199 680 H TYR 84 H TYR 84 -3.350 -13.653 7.775 681 HA TYR 84 HA TYR 84 -1.763 -12.802 9.112 682 HB2 TYR 84 2HB TYR 84 -0.602 -11.704 6.512 683 HB3 TYR 84 3HB TYR 84 0.221 -11.603 8.066 684 HD1 TYR 84 HD2 TYR 84 -1.351 -14.170 5.804 685 HD2 TYR 84 HD1 TYR 84 1.745 -13.343 8.634 686 HE1 TYR 84 HE2 TYR 84 -0.449 -16.416 5.468 687 HE2 TYR 84 HE1 TYR 84 2.651 -15.605 8.290 688 HH TYR 84 HH TYR 84 1.881 -17.807 7.526 689 H ASN 85 H ASN 85 -3.360 -11.518 10.175 690 HA ASN 85 HA ASN 85 -3.684 -8.713 9.665 691 HB2 ASN 85 2HB ASN 85 -4.088 -10.211 12.292 692 HB3 ASN 85 3HB ASN 85 -4.702 -8.608 11.905 693 HD21 ASN 85 1HD2 ASN 85 -5.143 -12.034 11.435 694 HD22 ASN 85 2HD2 ASN 85 -6.679 -11.931 10.654 695 H ASP 86 H ASP 86 -1.315 -10.671 11.225 696 HA ASP 86 HA ASP 86 0.209 -8.707 12.594 697 HB2 ASP 86 2HB ASP 86 1.310 -11.212 11.209 698 HB3 ASP 86 3HB ASP 86 2.035 -10.317 12.543 699 H ILE 87 H ILE 87 0.085 -6.915 11.101 700 HA ILE 87 HA ILE 87 1.688 -7.144 8.619 701 HB ILE 87 HB ILE 87 -0.209 -4.946 9.602 702 HG12 ILE 87 2HG1 ILE 87 -1.346 -7.029 8.790 703 HG13 ILE 87 3HG1 ILE 87 -1.707 -5.633 7.785 704 HG21 ILE 87 1HG2 ILE 87 0.113 -3.862 7.395 705 HG22 ILE 87 2HG2 ILE 87 1.372 -5.033 7.003 706 HG23 ILE 87 3HG2 ILE 87 1.602 -3.905 8.340 707 HD11 ILE 87 3HD1 ILE 87 -1.385 -7.618 6.446 708 HD12 ILE 87 1HD1 ILE 87 0.225 -7.859 7.122 709 HD13 ILE 87 2HD1 ILE 87 -0.105 -6.457 6.099 710 H ASN 88 H ASN 88 3.775 -6.439 8.696 711 HA ASN 88 HA ASN 88 4.702 -4.834 10.968 712 HB2 ASN 88 2HB ASN 88 6.120 -6.711 10.260 713 HB3 ASN 88 3HB ASN 88 6.203 -6.082 8.618 714 HD21 ASN 88 1HD2 ASN 88 7.273 -5.601 11.929 715 HD22 ASN 88 2HD2 ASN 88 8.575 -4.527 11.559 716 H VAL 89 H VAL 89 4.179 -2.761 10.777 717 HA VAL 89 HA VAL 89 4.393 -1.346 8.210 718 HB VAL 89 HB VAL 89 2.299 -0.983 9.403 719 HG11 VAL 89 1HG1 VAL 89 3.902 0.083 11.748 720 HG12 VAL 89 2HG1 VAL 89 3.004 -1.435 11.708 721 HG13 VAL 89 3HG1 VAL 89 2.140 0.100 11.597 722 HG21 VAL 89 3HG2 VAL 89 2.292 1.486 9.500 723 HG22 VAL 89 1HG2 VAL 89 3.179 0.887 8.096 724 HG23 VAL 89 2HG2 VAL 89 4.057 1.492 9.504 725 H THR 90 H THR 90 6.026 -0.059 7.794 726 HA THR 90 HA THR 90 7.751 1.089 9.890 727 HB THR 90 HB THR 90 9.762 0.564 8.372 728 HG1 THR 90 HG1 THR 90 7.799 -1.081 7.133 729 HG21 THR 90 3HG2 THR 90 10.078 -1.761 9.136 730 HG22 THR 90 1HG2 THR 90 8.364 -1.870 9.550 731 HG23 THR 90 2HG2 THR 90 9.418 -0.762 10.432 732 H TRP 91 H TRP 91 8.922 2.991 9.072 733 HA TRP 91 HA TRP 91 7.657 4.242 6.689 734 HB2 TRP 91 2HB TRP 91 8.179 5.559 9.407 735 HB3 TRP 91 3HB TRP 91 7.587 6.391 7.967 736 HD1 TRP 91 HD1 TRP 91 5.107 5.417 7.015 737 HE1 TRP 91 HE1 TRP 91 3.049 4.692 8.366 738 HE3 TRP 91 HE3 TRP 91 7.362 4.477 11.497 739 HZ2 TRP 91 HZ2 TRP 91 2.449 3.821 10.968 740 HZ3 TRP 91 HZ3 TRP 91 5.979 3.672 13.366 741 HH2 TRP 91 HH2 TRP 91 3.570 3.349 13.106 742 H ASP 92 H ASP 92 9.221 4.357 5.249 743 HA ASP 92 HA ASP 92 12.014 4.977 6.040 744 HB2 ASP 92 2HB ASP 92 11.550 2.701 5.052 745 HB3 ASP 92 3HB ASP 92 10.974 3.468 3.580 746 H GLY 93 H GLY 93 11.804 7.222 5.945 747 HA2 GLY 93 2HA GLY 93 12.191 9.257 4.930 748 HA3 GLY 93 3HA GLY 93 12.175 8.451 3.371 749 H ASP 94 H ASP 94 9.764 8.881 5.953 750 HA ASP 94 HA ASP 94 7.615 9.532 6.048 751 HB2 ASP 94 2HB ASP 94 8.362 11.246 3.637 752 HB3 ASP 94 3HB ASP 94 6.787 11.329 4.421 753 H THR 95 H THR 95 8.617 7.465 3.825 754 HA THR 95 HA THR 95 6.093 7.106 2.359 755 HB THR 95 HB THR 95 8.830 5.753 2.069 756 HG1 THR 95 HG1 THR 95 8.178 8.195 1.453 757 HG21 THR 95 3HG2 THR 95 6.457 5.739 0.174 758 HG22 THR 95 1HG2 THR 95 6.983 4.371 1.161 759 HG23 THR 95 2HG2 THR 95 8.028 4.995 -0.116 760 H VAL 96 H VAL 96 4.765 5.285 2.841 761 HA VAL 96 HA VAL 96 5.515 3.784 5.266 762 HB VAL 96 HB VAL 96 3.288 4.702 5.331 763 HG11 VAL 96 1HG1 VAL 96 1.464 4.060 3.814 764 HG12 VAL 96 2HG1 VAL 96 2.604 3.146 2.824 765 HG13 VAL 96 3HG1 VAL 96 2.760 4.897 2.952 766 HG21 VAL 96 3HG2 VAL 96 1.988 2.677 5.851 767 HG22 VAL 96 1HG2 VAL 96 3.644 2.543 6.438 768 HG23 VAL 96 2HG2 VAL 96 3.154 1.689 4.973 769 H THR 97 H THR 97 6.633 2.033 5.012 770 HA THR 97 HA THR 97 6.305 0.243 2.692 771 HB THR 97 HB THR 97 8.635 0.421 4.683 772 HG1 THR 97 HG1 THR 97 9.711 1.477 2.933 773 HG21 THR 97 3HG2 THR 97 9.875 -0.905 3.023 774 HG22 THR 97 1HG2 THR 97 8.445 -1.007 1.996 775 HG23 THR 97 2HG2 THR 97 8.457 -1.795 3.579 776 H VAL 98 H VAL 98 5.540 -1.777 3.051 777 HA VAL 98 HA VAL 98 5.479 -2.948 5.769 778 HB VAL 98 HB VAL 98 3.287 -3.040 3.624 779 HG11 VAL 98 1HG1 VAL 98 2.089 -4.716 5.002 780 HG12 VAL 98 2HG1 VAL 98 3.491 -4.842 6.067 781 HG13 VAL 98 3HG1 VAL 98 3.616 -5.351 4.382 782 HG21 VAL 98 3HG2 VAL 98 3.145 -1.151 5.201 783 HG22 VAL 98 1HG2 VAL 98 3.176 -2.268 6.570 784 HG23 VAL 98 2HG2 VAL 98 1.807 -2.273 5.454 785 H GLU 99 H GLU 99 6.430 -4.921 5.868 786 HA GLU 99 HA GLU 99 6.589 -6.654 3.525 787 HB2 GLU 99 2HB GLU 99 8.720 -5.441 3.368 788 HB3 GLU 99 3HB GLU 99 9.073 -5.763 5.063 789 HG2 GLU 99 2HG GLU 99 10.414 -7.260 3.745 790 HG3 GLU 99 3HG GLU 99 9.159 -8.209 4.533 791 H GLY 100 H GLY 100 6.431 -8.760 4.046 792 HA2 GLY 100 2HA GLY 100 6.196 -10.694 5.224 793 HA3 GLY 100 3HA GLY 100 7.339 -10.025 6.375 794 H GLN 101 H GLN 101 6.455 -10.521 8.292 795 HA GLN 101 HA GLN 101 3.767 -9.453 8.944 796 HB2 GLN 101 2HB GLN 101 3.381 -11.381 10.442 797 HB3 GLN 101 3HB GLN 101 3.596 -11.911 8.779 798 HG2 GLN 101 2HG GLN 101 5.844 -12.688 9.253 799 HG3 GLN 101 3HG GLN 101 5.779 -12.020 10.883 800 HE21 GLN 101 1HE2 GLN 101 4.595 -14.573 8.782 801 HE22 GLN 101 2HE2 GLN 101 4.002 -15.604 10.038 802 H LEU 102 H LEU 102 3.518 -8.993 11.271 803 HA LEU 102 HA LEU 102 5.918 -7.744 12.381 804 HB2 LEU 102 2HB LEU 102 3.738 -6.542 12.346 805 HB3 LEU 102 3HB LEU 102 3.036 -7.765 13.394 806 HG LEU 102 HG LEU 102 4.501 -7.073 15.251 807 HD11 LEU 102 1HD1 LEU 102 6.508 -6.461 14.036 808 HD12 LEU 102 2HD1 LEU 102 5.993 -5.114 15.048 809 HD13 LEU 102 3HD1 LEU 102 5.691 -5.077 13.308 810 HD21 LEU 102 3HD2 LEU 102 3.145 -4.683 13.953 811 HD22 LEU 102 1HD2 LEU 102 3.609 -4.814 15.652 812 HD23 LEU 102 2HD2 LEU 102 2.370 -5.879 14.994 813 H GLU 103 H GLU 103 7.198 -8.759 13.798 814 HA GLU 103 HA GLU 103 6.371 -11.217 15.152 815 HB2 GLU 103 2HB GLU 103 8.705 -11.471 15.785 816 HB3 GLU 103 3HB GLU 103 8.612 -11.076 14.074 817 HG2 GLU 103 2HG GLU 103 9.229 -8.744 14.565 818 HG3 GLU 103 3HG GLU 103 9.298 -9.116 16.285 819 H GLY 104 H GLY 104 6.607 -7.874 15.865 820 HA2 GLY 104 2HA GLY 104 6.911 -7.802 18.650 821 HA3 GLY 104 3HA GLY 104 6.055 -6.613 17.680 822 H VAL 105 H VAL 105 5.653 -8.576 20.221 823 HA VAL 105 HA VAL 105 3.073 -9.760 19.689 824 HB VAL 105 HB VAL 105 3.102 -10.419 22.105 825 HG11 VAL 105 1HG1 VAL 105 5.702 -11.018 20.637 826 HG12 VAL 105 2HG1 VAL 105 4.179 -11.892 20.460 827 HG13 VAL 105 3HG1 VAL 105 5.049 -11.945 21.993 828 HG21 VAL 105 3HG2 VAL 105 5.750 -8.924 22.235 829 HG22 VAL 105 1HG2 VAL 105 5.094 -9.964 23.507 830 HG23 VAL 105 2HG2 VAL 105 4.260 -8.474 23.064 831 H ASP 106 H ASP 106 1.082 -9.006 20.199 832 HA ASP 106 HA ASP 106 0.713 -6.226 20.885 833 HB2 ASP 106 2HB ASP 106 -1.284 -8.470 20.344 834 HB3 ASP 106 3HB ASP 106 -1.780 -6.836 20.769 Start of MODEL 17 1 H1 MET 1 1H MET 1 -4.578 21.591 -9.116 2 H2 MET 1 2H MET 1 -5.485 22.215 -10.395 3 H3 MET 1 3H MET 1 -6.048 22.360 -8.815 4 HA MET 1 HA MET 1 -4.262 23.798 -8.232 5 HB2 MET 1 2HB MET 1 -3.445 23.630 -11.174 6 HB3 MET 1 3HB MET 1 -2.644 24.572 -9.914 7 HG2 MET 1 2HG MET 1 -2.745 21.551 -10.153 8 HG3 MET 1 3HG MET 1 -1.337 22.599 -10.374 9 HE1 MET 1 3HE MET 1 -1.660 19.966 -8.420 10 HE2 MET 1 1HE MET 1 -0.747 20.505 -7.012 11 HE3 MET 1 2HE MET 1 -0.119 20.800 -8.635 12 H HIS 2 H HIS 2 -4.704 26.016 -8.337 13 HA HIS 2 HA HIS 2 -7.074 26.854 -9.820 14 HB2 HIS 2 2HB HIS 2 -5.243 28.420 -7.935 15 HB3 HIS 2 3HB HIS 2 -6.711 29.066 -8.666 16 HD1 HIS 2 HD1 HIS 2 -8.445 29.194 -6.898 17 HD2 HIS 2 HD2 HIS 2 -6.182 25.722 -6.546 18 HE1 HIS 2 HE1 HIS 2 -9.419 27.938 -4.955 19 HE2 HIS 2 HE2 HIS 2 -7.984 25.885 -4.712 20 H HIS 3 H HIS 3 -3.628 27.656 -9.745 21 HA HIS 3 HA HIS 3 -3.712 28.654 -12.537 22 HB2 HIS 3 2HB HIS 3 -2.596 30.285 -11.168 23 HB3 HIS 3 3HB HIS 3 -1.763 29.051 -10.230 24 HD1 HIS 3 HD1 HIS 3 -1.703 30.532 -13.739 25 HD2 HIS 3 HD2 HIS 3 0.802 28.562 -11.076 26 HE1 HIS 3 HE1 HIS 3 0.559 30.524 -14.816 27 HE2 HIS 3 HE2 HIS 3 2.078 29.491 -13.106 28 H HIS 4 H HIS 4 -3.025 27.227 -14.071 29 HA HIS 4 HA HIS 4 -2.041 24.645 -13.372 30 HB2 HIS 4 2HB HIS 4 -1.836 24.224 -15.801 31 HB3 HIS 4 3HB HIS 4 -3.396 24.912 -15.396 32 HD1 HIS 4 HD1 HIS 4 -4.107 26.931 -16.697 33 HD2 HIS 4 HD2 HIS 4 -0.068 26.102 -17.174 34 HE1 HIS 4 HE1 HIS 4 -3.314 28.436 -18.541 35 HE2 HIS 4 HE2 HIS 4 -0.857 27.977 -18.747 36 H HIS 5 H HIS 5 -0.040 23.911 -13.154 37 HA HIS 5 HA HIS 5 2.302 25.227 -14.263 38 HB2 HIS 5 2HB HIS 5 3.472 25.295 -12.025 39 HB3 HIS 5 3HB HIS 5 2.145 26.442 -12.159 40 HD1 HIS 5 HD1 HIS 5 2.830 23.007 -10.640 41 HD2 HIS 5 HD2 HIS 5 0.351 26.291 -10.093 42 HE1 HIS 5 HE1 HIS 5 1.592 22.571 -8.508 43 HE2 HIS 5 HE2 HIS 5 0.315 24.687 -8.080 44 H HIS 6 H HIS 6 3.745 23.698 -14.892 45 HA HIS 6 HA HIS 6 3.212 20.892 -14.395 46 HB2 HIS 6 2HB HIS 6 3.976 21.748 -16.630 47 HB3 HIS 6 3HB HIS 6 5.521 22.187 -15.917 48 HD1 HIS 6 HD1 HIS 6 3.498 19.216 -16.995 49 HD2 HIS 6 HD2 HIS 6 7.318 20.031 -15.589 50 HE1 HIS 6 HE1 HIS 6 4.823 17.127 -17.394 51 HE2 HIS 6 HE2 HIS 6 7.088 17.599 -16.412 52 H HIS 7 H HIS 7 3.446 20.976 -12.112 53 HA HIS 7 HA HIS 7 6.108 20.351 -11.109 54 HB2 HIS 7 2HB HIS 7 4.518 22.757 -10.131 55 HB3 HIS 7 3HB HIS 7 5.541 21.883 -9.000 56 HD1 HIS 7 HD1 HIS 7 5.774 24.892 -10.534 57 HD2 HIS 7 HD2 HIS 7 8.244 21.559 -10.711 58 HE1 HIS 7 HE1 HIS 7 8.049 25.758 -11.148 59 HE2 HIS 7 HE2 HIS 7 9.502 23.720 -11.320 60 H ARG 8 H ARG 8 5.917 18.655 -9.784 61 HA ARG 8 HA ARG 8 3.347 17.452 -9.270 62 HB2 ARG 8 2HB ARG 8 5.260 16.083 -9.971 63 HB3 ARG 8 3HB ARG 8 6.187 16.605 -8.570 64 HG2 ARG 8 2HG ARG 8 4.733 15.383 -7.069 65 HG3 ARG 8 3HG ARG 8 3.617 15.013 -8.382 66 HD2 ARG 8 2HD ARG 8 6.472 14.014 -8.164 67 HD3 ARG 8 3HD ARG 8 5.023 13.075 -7.790 68 HE ARG 8 HE ARG 8 4.847 14.067 -10.425 69 HH11 ARG 8 1HH1 ARG 8 6.592 11.607 -8.602 70 HH12 ARG 8 2HH1 ARG 8 6.834 10.601 -9.989 71 HH21 ARG 8 1HH2 ARG 8 5.210 12.742 -12.225 72 HH22 ARG 8 2HH2 ARG 8 6.053 11.242 -12.042 73 H SER 9 H SER 9 2.147 17.865 -7.492 74 HA SER 9 HA SER 9 3.216 19.207 -5.151 75 HB2 SER 9 2HB SER 9 0.848 19.169 -4.346 76 HB3 SER 9 3HB SER 9 0.973 19.818 -5.980 77 HG SER 9 HG SER 9 -0.087 17.373 -5.104 78 H GLY 10 H GLY 10 2.558 15.912 -6.087 79 HA2 GLY 10 2HA GLY 10 4.041 14.461 -4.491 80 HA3 GLY 10 3HA GLY 10 2.806 14.908 -3.316 81 H ASP 11 H ASP 11 3.096 13.607 -6.620 82 HA ASP 11 HA ASP 11 0.568 12.270 -6.608 83 HB2 ASP 11 2HB ASP 11 2.976 12.075 -8.482 84 HB3 ASP 11 3HB ASP 11 1.487 11.154 -8.734 85 H ILE 12 H ILE 12 0.096 10.312 -5.958 86 HA ILE 12 HA ILE 12 1.899 9.007 -4.139 87 HB ILE 12 HB ILE 12 -0.920 8.152 -4.932 88 HG12 ILE 12 2HG1 ILE 12 -0.295 10.020 -2.599 89 HG13 ILE 12 3HG1 ILE 12 -0.708 10.635 -4.194 90 HG21 ILE 12 1HG2 ILE 12 0.318 6.484 -3.622 91 HG22 ILE 12 2HG2 ILE 12 -0.999 7.167 -2.666 92 HG23 ILE 12 3HG2 ILE 12 0.660 7.691 -2.376 93 HD11 ILE 12 3HD1 ILE 12 -2.631 10.636 -2.723 94 HD12 ILE 12 1HD1 ILE 12 -2.475 8.898 -2.471 95 HD13 ILE 12 2HD1 ILE 12 -2.885 9.528 -4.071 96 H GLN 13 H GLN 13 3.448 7.789 -5.181 97 HA GLN 13 HA GLN 13 2.703 5.843 -7.242 98 HB2 GLN 13 2HB GLN 13 4.793 7.139 -7.546 99 HB3 GLN 13 3HB GLN 13 5.418 6.512 -6.022 100 HG2 GLN 13 2HG GLN 13 5.348 4.201 -6.980 101 HG3 GLN 13 3HG GLN 13 4.800 4.878 -8.513 102 HE21 GLN 13 1HE2 GLN 13 7.226 3.333 -7.850 103 HE22 GLN 13 2HE2 GLN 13 8.551 4.302 -8.386 104 H VAL 14 H VAL 14 1.790 4.079 -6.448 105 HA VAL 14 HA VAL 14 2.650 2.719 -4.004 106 HB VAL 14 HB VAL 14 0.591 1.858 -6.109 107 HG11 VAL 14 1HG1 VAL 14 1.352 -0.000 -4.676 108 HG12 VAL 14 2HG1 VAL 14 -0.333 0.404 -4.334 109 HG13 VAL 14 3HG1 VAL 14 0.944 0.933 -3.233 110 HG21 VAL 14 3HG2 VAL 14 -1.152 2.780 -4.633 111 HG22 VAL 14 1HG2 VAL 14 -0.047 4.043 -5.186 112 HG23 VAL 14 2HG2 VAL 14 0.091 3.403 -3.545 113 H GLN 15 H GLN 15 4.621 1.740 -4.363 114 HA GLN 15 HA GLN 15 5.059 0.196 -6.847 115 HB2 GLN 15 2HB GLN 15 6.753 1.919 -6.405 116 HB3 GLN 15 3HB GLN 15 7.023 1.286 -4.786 117 HG2 GLN 15 2HG GLN 15 7.980 -0.765 -5.701 118 HG3 GLN 15 3HG GLN 15 7.610 -0.240 -7.341 119 HE21 GLN 15 1HE2 GLN 15 8.877 1.405 -8.290 120 HE22 GLN 15 2HE2 GLN 15 10.407 1.866 -7.634 121 H ASN 16 H ASN 16 4.249 -1.805 -6.479 122 HA ASN 16 HA ASN 16 4.964 -3.233 -3.982 123 HB2 ASN 16 2HB ASN 16 2.565 -3.252 -4.447 124 HB3 ASN 16 3HB ASN 16 2.839 -3.818 -6.093 125 HD21 ASN 16 1HD2 ASN 16 2.960 -4.717 -2.707 126 HD22 ASN 16 2HD2 ASN 16 2.924 -6.418 -2.957 127 H ASN 17 H ASN 17 6.818 -4.259 -4.204 128 HA ASN 17 HA ASN 17 7.573 -5.653 -6.691 129 HB2 ASN 17 2HB ASN 17 9.267 -4.093 -5.754 130 HB3 ASN 17 3HB ASN 17 9.195 -4.912 -4.199 131 HD21 ASN 17 1HD2 ASN 17 10.399 -5.056 -7.459 132 HD22 ASN 17 2HD2 ASN 17 11.461 -6.398 -7.221 133 H ASN 18 H ASN 18 6.883 -7.719 -6.697 134 HA ASN 18 HA ASN 18 6.492 -9.187 -4.154 135 HB2 ASN 18 2HB ASN 18 4.416 -8.745 -5.439 136 HB3 ASN 18 3HB ASN 18 5.108 -9.545 -6.848 137 HD21 ASN 18 1HD2 ASN 18 3.284 -10.907 -6.796 138 HD22 ASN 18 2HD2 ASN 18 3.182 -12.248 -5.718 139 H THR 19 H THR 19 7.488 -11.123 -3.877 140 HA THR 19 HA THR 19 9.559 -11.929 -5.801 141 HB THR 19 HB THR 19 10.369 -13.355 -3.821 142 HG1 THR 19 HG1 THR 19 8.618 -11.749 -2.257 143 HG21 THR 19 3HG2 THR 19 11.415 -11.159 -4.309 144 HG22 THR 19 1HG2 THR 19 11.342 -11.457 -2.570 145 HG23 THR 19 2HG2 THR 19 10.188 -10.357 -3.325 146 H CYS 20 H CYS 20 9.022 -13.468 -7.195 147 HA CYS 20 HA CYS 20 7.160 -15.665 -6.486 148 HB2 CYS 20 2HB CYS 20 7.059 -13.995 -9.031 149 HB3 CYS 20 3HB CYS 20 6.016 -15.358 -8.654 150 H ASN 21 H ASN 21 7.263 -17.453 -8.139 151 HA ASN 21 HA ASN 21 9.970 -17.892 -9.193 152 HB2 ASN 21 2HB ASN 21 9.267 -20.222 -9.597 153 HB3 ASN 21 3HB ASN 21 8.938 -19.754 -7.936 154 HD21 ASN 21 1HD2 ASN 21 7.747 -21.874 -9.664 155 HD22 ASN 21 2HD2 ASN 21 6.043 -21.598 -9.579 156 H GLY 22 H GLY 22 6.694 -17.262 -10.304 157 HA2 GLY 22 2HA GLY 22 7.061 -18.106 -13.044 158 HA3 GLY 22 3HA GLY 22 5.692 -17.225 -12.377 159 H LYS 23 H LYS 23 5.395 -15.434 -13.567 160 HA LYS 23 HA LYS 23 7.272 -14.173 -15.233 161 HB2 LYS 23 2HB LYS 23 4.725 -12.974 -14.042 162 HB3 LYS 23 3HB LYS 23 5.615 -12.306 -15.409 163 HG2 LYS 23 2HG LYS 23 5.090 -14.264 -16.756 164 HG3 LYS 23 3HG LYS 23 4.283 -15.033 -15.385 165 HD2 LYS 23 2HD LYS 23 2.626 -13.155 -15.363 166 HD3 LYS 23 3HD LYS 23 3.407 -12.474 -16.794 167 HE2 LYS 23 2HE LYS 23 1.392 -13.743 -17.408 168 HE3 LYS 23 3HE LYS 23 2.833 -14.508 -18.071 169 HZ1 LYS 23 3HZ LYS 23 2.773 -16.116 -16.284 170 HZ2 LYS 23 1HZ LYS 23 1.302 -16.115 -17.114 171 HZ3 LYS 23 2HZ LYS 23 1.422 -15.366 -15.605 172 H THR 24 H THR 24 6.392 -13.636 -11.893 173 HA THR 24 HA THR 24 7.084 -12.335 -10.201 174 HB THR 24 HB THR 24 9.684 -11.902 -11.733 175 HG1 THR 24 HG1 THR 24 8.942 -14.155 -11.659 176 HG21 THR 24 3HG2 THR 24 9.515 -10.677 -9.559 177 HG22 THR 24 1HG2 THR 24 10.735 -11.952 -9.500 178 HG23 THR 24 2HG2 THR 24 9.160 -12.205 -8.747 179 H PHE 25 H PHE 25 5.560 -11.209 -12.341 180 HA PHE 25 HA PHE 25 6.460 -8.572 -12.979 181 HB2 PHE 25 2HB PHE 25 4.908 -9.809 -14.457 182 HB3 PHE 25 3HB PHE 25 3.678 -9.806 -13.198 183 HD1 PHE 25 HD1 PHE 25 5.721 -7.494 -15.339 184 HD2 PHE 25 HD2 PHE 25 2.116 -7.998 -13.083 185 HE1 PHE 25 HE1 PHE 25 4.881 -5.342 -16.182 186 HE2 PHE 25 HE2 PHE 25 1.292 -5.840 -13.931 187 HZ PHE 25 HZ PHE 25 2.669 -4.515 -15.483 188 H ASP 26 H ASP 26 6.651 -7.087 -11.501 189 HA ASP 26 HA ASP 26 5.196 -6.872 -9.044 190 HB2 ASP 26 2HB ASP 26 6.437 -4.759 -8.776 191 HB3 ASP 26 3HB ASP 26 7.523 -6.031 -9.316 192 H TYR 27 H TYR 27 3.965 -4.822 -8.511 193 HA TYR 27 HA TYR 27 2.261 -3.911 -10.770 194 HB2 TYR 27 2HB TYR 27 1.253 -4.551 -7.965 195 HB3 TYR 27 3HB TYR 27 0.281 -4.083 -9.356 196 HD1 TYR 27 HD1 TYR 27 0.201 -5.701 -11.377 197 HD2 TYR 27 HD2 TYR 27 1.730 -6.869 -7.547 198 HE1 TYR 27 HE1 TYR 27 -0.032 -8.073 -11.992 199 HE2 TYR 27 HE2 TYR 27 1.487 -9.230 -8.170 200 HH TYR 27 HH TYR 27 0.229 -10.607 -9.709 201 H THR 28 H THR 28 2.668 -1.806 -11.011 202 HA THR 28 HA THR 28 2.935 -0.080 -8.615 203 HB THR 28 HB THR 28 4.306 0.320 -11.310 204 HG1 THR 28 HG1 THR 28 5.030 -1.349 -9.602 205 HG21 THR 28 3HG2 THR 28 3.768 2.487 -10.213 206 HG22 THR 28 1HG2 THR 28 5.508 2.180 -10.180 207 HG23 THR 28 2HG2 THR 28 4.538 1.925 -8.728 208 H TYR 29 H TYR 29 1.523 1.519 -8.438 209 HA TYR 29 HA TYR 29 -0.143 2.396 -10.740 210 HB2 TYR 29 2HB TYR 29 -1.083 2.337 -7.834 211 HB3 TYR 29 3HB TYR 29 -2.067 2.536 -9.281 212 HD1 TYR 29 HD1 TYR 29 -2.196 0.475 -10.914 213 HD2 TYR 29 HD2 TYR 29 -0.850 0.186 -6.862 214 HE1 TYR 29 HE1 TYR 29 -2.620 -1.953 -10.937 215 HE2 TYR 29 HE2 TYR 29 -1.277 -2.227 -6.889 216 HH TYR 29 HH TYR 29 -2.717 -3.823 -8.146 217 H THR 30 H THR 30 -0.494 4.696 -10.824 218 HA THR 30 HA THR 30 0.645 6.326 -8.635 219 HB THR 30 HB THR 30 1.065 6.955 -11.593 220 HG1 THR 30 HG1 THR 30 2.546 5.566 -9.691 221 HG21 THR 30 3HG2 THR 30 0.906 8.999 -10.174 222 HG22 THR 30 1HG2 THR 30 2.549 8.759 -10.779 223 HG23 THR 30 2HG2 THR 30 2.152 8.346 -9.109 224 H VAL 31 H VAL 31 -0.930 7.486 -7.781 225 HA VAL 31 HA VAL 31 -3.104 8.606 -9.460 226 HB VAL 31 HB VAL 31 -4.676 8.263 -7.510 227 HG11 VAL 31 1HG1 VAL 31 -5.069 5.843 -7.865 228 HG12 VAL 31 2HG1 VAL 31 -3.474 5.686 -8.607 229 HG13 VAL 31 3HG1 VAL 31 -4.719 6.665 -9.388 230 HG21 VAL 31 3HG2 VAL 31 -4.085 6.670 -5.710 231 HG22 VAL 31 1HG2 VAL 31 -3.020 8.078 -5.685 232 HG23 VAL 31 2HG2 VAL 31 -2.442 6.546 -6.347 233 H THR 32 H THR 32 -3.497 10.764 -9.114 234 HA THR 32 HA THR 32 -1.643 12.223 -7.387 235 HB THR 32 HB THR 32 -2.135 12.823 -9.848 236 HG1 THR 32 HG1 THR 32 -1.085 14.468 -9.083 237 HG21 THR 32 3HG2 THR 32 -4.609 12.769 -9.790 238 HG22 THR 32 1HG2 THR 32 -4.016 14.356 -10.286 239 HG23 THR 32 2HG2 THR 32 -4.617 14.113 -8.645 240 H THR 33 H THR 33 -4.664 10.891 -6.960 241 HA THR 33 HA THR 33 -5.492 12.891 -4.937 242 HB THR 33 HB THR 33 -7.316 11.393 -6.862 243 HG1 THR 33 HG1 THR 33 -6.965 13.024 -8.110 244 HG21 THR 33 3HG2 THR 33 -8.446 11.785 -4.693 245 HG22 THR 33 1HG2 THR 33 -9.149 12.776 -5.976 246 HG23 THR 33 2HG2 THR 33 -8.052 13.503 -4.801 247 H GLU 34 H GLU 34 -6.381 12.083 -3.063 248 HA GLU 34 HA GLU 34 -5.354 9.721 -1.969 249 HB2 GLU 34 2HB GLU 34 -7.731 11.370 -0.973 250 HB3 GLU 34 3HB GLU 34 -6.764 10.263 0.005 251 HG2 GLU 34 2HG GLU 34 -5.653 12.766 -1.324 252 HG3 GLU 34 3HG GLU 34 -6.271 12.721 0.324 253 H SER 35 H SER 35 -8.624 10.446 -3.135 254 HA SER 35 HA SER 35 -9.955 8.173 -2.126 255 HB2 SER 35 2HB SER 35 -11.787 8.951 -3.702 256 HB3 SER 35 3HB SER 35 -11.161 10.202 -2.627 257 HG SER 35 HG SER 35 -10.786 9.883 -5.393 258 H GLU 36 H GLU 36 -8.193 8.710 -5.089 259 HA GLU 36 HA GLU 36 -9.367 6.678 -6.719 260 HB2 GLU 36 2HB GLU 36 -6.583 7.888 -7.003 261 HB3 GLU 36 3HB GLU 36 -7.564 7.160 -8.279 262 HG2 GLU 36 2HG GLU 36 -8.120 9.759 -6.817 263 HG3 GLU 36 3HG GLU 36 -7.505 9.596 -8.456 264 H LEU 37 H LEU 37 -6.616 6.848 -4.568 265 HA LEU 37 HA LEU 37 -5.154 4.565 -5.191 266 HB2 LEU 37 2HB LEU 37 -4.286 6.291 -3.755 267 HB3 LEU 37 3HB LEU 37 -5.567 6.048 -2.591 268 HG LEU 37 HG LEU 37 -4.191 3.531 -2.839 269 HD11 LEU 37 1HD1 LEU 37 -2.293 4.697 -3.768 270 HD12 LEU 37 2HD1 LEU 37 -1.931 4.039 -2.175 271 HD13 LEU 37 3HD1 LEU 37 -2.238 5.768 -2.366 272 HD21 LEU 37 3HD2 LEU 37 -3.708 3.814 -0.457 273 HD22 LEU 37 1HD2 LEU 37 -5.377 4.240 -0.831 274 HD23 LEU 37 2HD2 LEU 37 -4.184 5.513 -0.544 275 H GLN 38 H GLN 38 -7.983 4.930 -3.133 276 HA GLN 38 HA GLN 38 -7.672 2.543 -1.631 277 HB2 GLN 38 2HB GLN 38 -10.195 4.190 -2.074 278 HB3 GLN 38 3HB GLN 38 -9.908 3.049 -0.753 279 HG2 GLN 38 2HG GLN 38 -8.021 4.466 0.038 280 HG3 GLN 38 3HG GLN 38 -8.352 5.620 -1.254 281 HE21 GLN 38 1HE2 GLN 38 -8.310 6.117 1.581 282 HE22 GLN 38 2HE2 GLN 38 -9.882 6.688 2.013 283 H LYS 39 H LYS 39 -8.943 3.107 -4.790 284 HA LYS 39 HA LYS 39 -10.307 0.560 -5.061 285 HB2 LYS 39 2HB LYS 39 -9.519 2.652 -7.136 286 HB3 LYS 39 3HB LYS 39 -10.335 1.148 -7.541 287 HG2 LYS 39 2HG LYS 39 -12.041 2.775 -7.479 288 HG3 LYS 39 3HG LYS 39 -12.209 1.863 -5.978 289 HD2 LYS 39 2HD LYS 39 -11.079 3.680 -4.735 290 HD3 LYS 39 3HD LYS 39 -10.856 4.584 -6.236 291 HE2 LYS 39 2HE LYS 39 -13.308 4.778 -6.476 292 HE3 LYS 39 3HE LYS 39 -13.529 3.853 -4.988 293 HZ1 LYS 39 3HZ LYS 39 -12.185 6.487 -5.212 294 HZ2 LYS 39 1HZ LYS 39 -12.376 5.599 -3.787 295 HZ3 LYS 39 2HZ LYS 39 -13.727 6.208 -4.589 296 H VAL 40 H VAL 40 -7.118 1.952 -5.938 297 HA VAL 40 HA VAL 40 -6.293 -0.194 -7.615 298 HB VAL 40 HB VAL 40 -4.156 0.784 -7.827 299 HG11 VAL 40 1HG1 VAL 40 -4.567 3.172 -8.263 300 HG12 VAL 40 2HG1 VAL 40 -6.058 3.092 -7.319 301 HG13 VAL 40 3HG1 VAL 40 -5.912 2.166 -8.815 302 HG21 VAL 40 3HG2 VAL 40 -3.136 2.454 -6.327 303 HG22 VAL 40 1HG2 VAL 40 -3.495 0.965 -5.453 304 HG23 VAL 40 2HG2 VAL 40 -4.536 2.373 -5.260 305 H LEU 41 H LEU 41 -6.256 0.226 -4.183 306 HA LEU 41 HA LEU 41 -4.361 -1.791 -3.499 307 HB2 LEU 41 2HB LEU 41 -6.364 -0.123 -2.041 308 HB3 LEU 41 3HB LEU 41 -5.959 -1.638 -1.272 309 HG LEU 41 HG LEU 41 -4.574 0.140 -0.355 310 HD11 LEU 41 1HD1 LEU 41 -2.355 -0.827 -0.668 311 HD12 LEU 41 2HD1 LEU 41 -2.924 -1.739 -2.068 312 HD13 LEU 41 3HD1 LEU 41 -3.581 -2.074 -0.460 313 HD21 LEU 41 3HD2 LEU 41 -3.511 0.613 -3.162 314 HD22 LEU 41 1HD2 LEU 41 -2.943 1.390 -1.678 315 HD23 LEU 41 2HD2 LEU 41 -4.578 1.692 -2.257 316 H ASN 42 H ASN 42 -7.901 -1.794 -3.869 317 HA ASN 42 HA ASN 42 -8.389 -4.495 -3.181 318 HB2 ASN 42 2HB ASN 42 -10.251 -2.936 -3.254 319 HB3 ASN 42 3HB ASN 42 -9.945 -2.552 -4.943 320 HD21 ASN 42 1HD2 ASN 42 -10.717 -3.938 -6.547 321 HD22 ASN 42 2HD2 ASN 42 -11.787 -5.257 -6.211 322 H GLU 43 H GLU 43 -7.525 -2.904 -6.215 323 HA GLU 43 HA GLU 43 -7.630 -5.148 -7.938 324 HB2 GLU 43 2HB GLU 43 -5.855 -2.681 -8.133 325 HB3 GLU 43 3HB GLU 43 -6.211 -3.798 -9.450 326 HG2 GLU 43 2HG GLU 43 -8.151 -1.916 -8.062 327 HG3 GLU 43 3HG GLU 43 -7.544 -1.799 -9.714 328 H LEU 44 H LEU 44 -4.995 -3.670 -6.093 329 HA LEU 44 HA LEU 44 -2.834 -5.236 -6.896 330 HB2 LEU 44 2HB LEU 44 -2.708 -3.071 -5.698 331 HB3 LEU 44 3HB LEU 44 -3.329 -3.832 -4.244 332 HG LEU 44 HG LEU 44 -1.280 -5.135 -3.970 333 HD11 LEU 44 1HD1 LEU 44 0.634 -4.907 -5.488 334 HD12 LEU 44 2HD1 LEU 44 -0.329 -3.899 -6.570 335 HD13 LEU 44 3HD1 LEU 44 -0.764 -5.591 -6.310 336 HD21 LEU 44 3HD2 LEU 44 0.329 -3.329 -3.560 337 HD22 LEU 44 1HD2 LEU 44 -1.289 -2.860 -3.043 338 HD23 LEU 44 2HD2 LEU 44 -0.629 -2.226 -4.555 339 H LYS 45 H LYS 45 -5.168 -5.703 -4.306 340 HA LYS 45 HA LYS 45 -4.100 -7.817 -2.856 341 HB2 LYS 45 2HB LYS 45 -6.086 -6.478 -2.219 342 HB3 LYS 45 3HB LYS 45 -7.016 -7.235 -3.504 343 HG2 LYS 45 2HG LYS 45 -6.811 -9.427 -2.367 344 HG3 LYS 45 3HG LYS 45 -5.849 -8.671 -1.090 345 HD2 LYS 45 2HD LYS 45 -8.212 -8.987 -0.410 346 HD3 LYS 45 3HD LYS 45 -7.739 -7.287 -0.413 347 HE2 LYS 45 2HE LYS 45 -8.859 -7.005 -2.625 348 HE3 LYS 45 3HE LYS 45 -9.353 -8.699 -2.573 349 HZ1 LYS 45 3HZ LYS 45 -10.583 -8.182 -0.520 350 HZ2 LYS 45 1HZ LYS 45 -11.148 -7.310 -1.859 351 HZ3 LYS 45 2HZ LYS 45 -10.176 -6.553 -0.700 352 H ASP 46 H ASP 46 -6.383 -7.926 -5.594 353 HA ASP 46 HA ASP 46 -6.668 -10.754 -5.677 354 HB2 ASP 46 2HB ASP 46 -8.441 -9.248 -6.502 355 HB3 ASP 46 3HB ASP 46 -7.363 -8.617 -7.746 356 H TYR 47 H TYR 47 -4.657 -8.423 -7.423 357 HA TYR 47 HA TYR 47 -3.724 -10.141 -9.488 358 HB2 TYR 47 2HB TYR 47 -2.484 -7.590 -8.364 359 HB3 TYR 47 3HB TYR 47 -1.978 -8.376 -9.857 360 HD1 TYR 47 HD2 TYR 47 -5.424 -8.830 -10.000 361 HD2 TYR 47 HD1 TYR 47 -2.544 -5.661 -10.179 362 HE1 TYR 47 HE2 TYR 47 -7.017 -7.446 -11.238 363 HE2 TYR 47 HE1 TYR 47 -4.158 -4.285 -11.421 364 HH TYR 47 HH TYR 47 -7.451 -5.052 -11.624 365 H ILE 48 H ILE 48 -2.440 -9.287 -6.310 366 HA ILE 48 HA ILE 48 -0.031 -10.822 -6.438 367 HB ILE 48 HB ILE 48 -1.606 -9.703 -4.082 368 HG12 ILE 48 2HG1 ILE 48 1.062 -8.788 -5.266 369 HG13 ILE 48 3HG1 ILE 48 -0.496 -8.039 -5.607 370 HG21 ILE 48 1HG2 ILE 48 0.353 -10.205 -2.631 371 HG22 ILE 48 2HG2 ILE 48 1.113 -11.071 -3.969 372 HG23 ILE 48 3HG2 ILE 48 -0.390 -11.675 -3.268 373 HD11 ILE 48 3HD1 ILE 48 0.757 -6.757 -3.980 374 HD12 ILE 48 1HD1 ILE 48 0.856 -8.155 -2.909 375 HD13 ILE 48 2HD1 ILE 48 -0.709 -7.410 -3.249 376 H LYS 49 H LYS 49 -3.295 -11.428 -5.111 377 HA LYS 49 HA LYS 49 -2.635 -13.887 -3.829 378 HB2 LYS 49 2HB LYS 49 -4.514 -12.403 -3.129 379 HB3 LYS 49 3HB LYS 49 -5.382 -12.824 -4.605 380 HG2 LYS 49 2HG LYS 49 -5.549 -15.150 -3.902 381 HG3 LYS 49 3HG LYS 49 -4.534 -14.830 -2.491 382 HD2 LYS 49 2HD LYS 49 -6.309 -13.281 -1.627 383 HD3 LYS 49 3HD LYS 49 -7.333 -13.734 -2.997 384 HE2 LYS 49 2HE LYS 49 -7.384 -16.048 -2.231 385 HE3 LYS 49 3HE LYS 49 -6.229 -15.684 -0.947 386 HZ1 LYS 49 3HZ LYS 49 -8.937 -14.504 -1.153 387 HZ2 LYS 49 1HZ LYS 49 -7.837 -14.302 0.111 388 HZ3 LYS 49 2HZ LYS 49 -8.529 -15.816 -0.171 389 H LYS 50 H LYS 50 -3.658 -13.084 -7.045 390 HA LYS 50 HA LYS 50 -4.662 -15.558 -7.955 391 HB2 LYS 50 2HB LYS 50 -4.988 -13.404 -9.114 392 HB3 LYS 50 3HB LYS 50 -3.272 -13.332 -9.493 393 HG2 LYS 50 2HG LYS 50 -3.452 -15.188 -11.026 394 HG3 LYS 50 3HG LYS 50 -5.092 -15.546 -10.486 395 HD2 LYS 50 2HD LYS 50 -5.074 -14.410 -12.681 396 HD3 LYS 50 3HD LYS 50 -5.925 -13.468 -11.456 397 HE2 LYS 50 2HE LYS 50 -4.501 -12.034 -12.884 398 HE3 LYS 50 3HE LYS 50 -3.954 -11.998 -11.204 399 HZ1 LYS 50 3HZ LYS 50 -2.169 -12.217 -12.880 400 HZ2 LYS 50 1HZ LYS 50 -2.777 -13.734 -13.299 401 HZ3 LYS 50 2HZ LYS 50 -2.181 -13.461 -11.743 402 H GLN 51 H GLN 51 -1.396 -14.311 -7.614 403 HA GLN 51 HA GLN 51 -0.227 -16.848 -8.604 404 HB2 GLN 51 2HB GLN 51 1.980 -15.457 -8.508 405 HB3 GLN 51 3HB GLN 51 0.851 -15.138 -9.814 406 HG2 GLN 51 2HG GLN 51 -0.014 -13.177 -8.541 407 HG3 GLN 51 3HG GLN 51 1.205 -13.474 -7.304 408 HE21 GLN 51 1HE2 GLN 51 1.984 -11.358 -7.691 409 HE22 GLN 51 2HE2 GLN 51 2.981 -10.992 -9.056 410 H GLY 52 H GLY 52 0.318 -18.273 -7.076 411 HA2 GLY 52 2HA GLY 52 0.354 -17.692 -4.260 412 HA3 GLY 52 3HA GLY 52 0.747 -19.224 -5.032 413 H CYS 53 H CYS 53 2.019 -16.000 -4.383 414 HA CYS 53 HA CYS 53 4.792 -16.781 -4.937 415 HB2 CYS 53 2HB CYS 53 3.497 -14.077 -4.404 416 HB3 CYS 53 3HB CYS 53 5.207 -14.309 -4.744 417 H LYS 54 H LYS 54 6.351 -15.418 -3.395 418 HA LYS 54 HA LYS 54 6.202 -16.720 -0.841 419 HB2 LYS 54 2HB LYS 54 8.238 -14.779 -2.012 420 HB3 LYS 54 3HB LYS 54 8.453 -15.657 -0.498 421 HG2 LYS 54 2HG LYS 54 8.137 -16.948 -3.235 422 HG3 LYS 54 3HG LYS 54 9.679 -16.675 -2.417 423 HD2 LYS 54 2HD LYS 54 7.437 -18.387 -1.260 424 HD3 LYS 54 3HD LYS 54 8.740 -19.034 -2.252 425 HE2 LYS 54 2HE LYS 54 9.309 -19.436 0.046 426 HE3 LYS 54 3HE LYS 54 10.379 -18.165 -0.534 427 HZ1 LYS 54 3HZ LYS 54 7.909 -17.660 1.030 428 HZ2 LYS 54 1HZ LYS 54 9.113 -16.539 0.640 429 HZ3 LYS 54 2HZ LYS 54 9.442 -17.798 1.717 430 H ARG 55 H ARG 55 6.873 -13.271 -1.587 431 HA ARG 55 HA ARG 55 4.915 -12.320 0.338 432 HB2 ARG 55 2HB ARG 55 6.561 -11.078 1.722 433 HB3 ARG 55 3HB ARG 55 6.779 -12.821 1.836 434 HG2 ARG 55 2HG ARG 55 8.715 -12.692 0.294 435 HG3 ARG 55 3HG ARG 55 8.493 -10.944 0.160 436 HD2 ARG 55 2HD ARG 55 8.951 -10.708 2.590 437 HD3 ARG 55 3HD ARG 55 9.179 -12.455 2.716 438 HE ARG 55 HE ARG 55 10.985 -11.940 0.884 439 HH11 ARG 55 1HH1 ARG 55 10.373 -10.019 3.772 440 HH12 ARG 55 2HH1 ARG 55 12.012 -9.458 3.869 441 HH21 ARG 55 1HH2 ARG 55 13.103 -11.169 1.035 442 HH22 ARG 55 2HH2 ARG 55 13.547 -10.105 2.331 443 H SER 56 H SER 56 4.543 -10.057 0.198 444 HA SER 56 HA SER 56 5.448 -8.806 -2.339 445 HB2 SER 56 2HB SER 56 2.701 -8.672 -1.034 446 HB3 SER 56 3HB SER 56 3.170 -7.909 -2.560 447 HG SER 56 HG SER 56 3.782 -10.531 -2.587 448 H ARG 57 H ARG 57 6.514 -6.954 -2.001 449 HA ARG 57 HA ARG 57 6.241 -5.501 0.558 450 HB2 ARG 57 2HB ARG 57 8.476 -6.361 -0.023 451 HB3 ARG 57 3HB ARG 57 8.450 -5.474 -1.543 452 HG2 ARG 57 2HG ARG 57 8.706 -3.379 -0.464 453 HG3 ARG 57 3HG ARG 57 8.201 -4.025 1.100 454 HD2 ARG 57 2HD ARG 57 10.785 -4.714 -0.332 455 HD3 ARG 57 3HD ARG 57 10.625 -3.578 1.015 456 HE ARG 57 HE ARG 57 9.924 -6.450 1.264 457 HH11 ARG 57 1HH1 ARG 57 11.653 -3.651 2.500 458 HH12 ARG 57 2HH1 ARG 57 12.172 -4.463 3.940 459 HH21 ARG 57 1HH2 ARG 57 10.536 -7.469 3.182 460 HH22 ARG 57 2HH2 ARG 57 11.534 -6.635 4.329 461 H THR 58 H THR 58 4.795 -3.879 0.396 462 HA THR 58 HA THR 58 4.598 -2.295 -2.093 463 HB THR 58 HB THR 58 2.682 -2.207 0.275 464 HG1 THR 58 HG1 THR 58 1.641 -3.893 -0.565 465 HG21 THR 58 3HG2 THR 58 1.091 -1.354 -1.423 466 HG22 THR 58 1HG2 THR 58 2.348 -1.455 -2.661 467 HG23 THR 58 2HG2 THR 58 2.513 -0.315 -1.321 468 H SER 59 H SER 59 5.346 -0.253 -2.104 469 HA SER 59 HA SER 59 5.854 1.180 0.432 470 HB2 SER 59 2HB SER 59 7.938 0.206 -0.792 471 HB3 SER 59 3HB SER 59 7.634 1.414 -2.036 472 HG SER 59 HG SER 59 8.155 1.865 0.713 473 H ILE 60 H ILE 60 4.656 3.019 0.467 474 HA ILE 60 HA ILE 60 3.509 4.082 -2.055 475 HB ILE 60 HB ILE 60 2.318 3.979 0.750 476 HG12 ILE 60 2HG1 ILE 60 1.397 2.754 -1.892 477 HG13 ILE 60 3HG1 ILE 60 1.969 1.889 -0.467 478 HG21 ILE 60 1HG2 ILE 60 1.170 5.441 -1.652 479 HG22 ILE 60 2HG2 ILE 60 1.836 6.191 -0.201 480 HG23 ILE 60 3HG2 ILE 60 0.372 5.226 -0.092 481 HD11 ILE 60 3HD1 ILE 60 -0.430 1.710 -0.640 482 HD12 ILE 60 1HD1 ILE 60 -0.604 3.466 -0.705 483 HD13 ILE 60 2HD1 ILE 60 -0.026 2.688 0.772 484 H THR 61 H THR 61 3.875 6.172 -2.525 485 HA THR 61 HA THR 61 5.737 7.818 -1.326 486 HB THR 61 HB THR 61 3.381 8.601 -3.082 487 HG1 THR 61 HG1 THR 61 6.084 8.125 -3.827 488 HG21 THR 61 3HG2 THR 61 5.951 10.149 -2.545 489 HG22 THR 61 1HG2 THR 61 4.334 10.617 -2.003 490 HG23 THR 61 2HG2 THR 61 4.714 10.588 -3.724 491 H ALA 62 H ALA 62 5.688 8.730 0.611 492 HA ALA 62 HA ALA 62 3.411 10.449 1.370 493 HB1 ALA 62 3HB ALA 62 5.167 8.835 3.255 494 HB2 ALA 62 1HB ALA 62 3.462 8.544 2.912 495 HB3 ALA 62 2HB ALA 62 3.952 10.018 3.752 496 H ARG 63 H ARG 63 4.083 12.534 2.060 497 HA ARG 63 HA ARG 63 6.958 13.188 1.762 498 HB2 ARG 63 2HB ARG 63 4.635 15.144 2.067 499 HB3 ARG 63 3HB ARG 63 6.294 15.531 1.617 500 HG2 ARG 63 2HG ARG 63 4.195 14.103 -0.048 501 HG3 ARG 63 3HG ARG 63 4.945 15.671 -0.367 502 HD2 ARG 63 2HD ARG 63 6.242 12.936 -0.514 503 HD3 ARG 63 3HD ARG 63 5.895 14.014 -1.864 504 HE ARG 63 HE ARG 63 7.577 15.575 -0.730 505 HH11 ARG 63 1HH1 ARG 63 7.805 12.071 -0.454 506 HH12 ARG 63 2HH1 ARG 63 9.520 12.084 -0.218 507 HH21 ARG 63 1HH2 ARG 63 9.831 15.559 -0.364 508 HH22 ARG 63 2HH2 ARG 63 10.666 14.053 -0.166 509 H THR 64 H THR 64 4.379 12.918 4.032 510 HA THR 64 HA THR 64 6.095 13.727 6.300 511 HB THR 64 HB THR 64 4.189 14.775 7.409 512 HG1 THR 64 HG1 THR 64 2.612 14.281 5.095 513 HG21 THR 64 3HG2 THR 64 5.401 16.284 5.863 514 HG22 THR 64 1HG2 THR 64 3.681 16.690 5.898 515 HG23 THR 64 2HG2 THR 64 4.348 15.787 4.532 516 H LYS 65 H LYS 65 5.314 12.712 8.369 517 HA LYS 65 HA LYS 65 5.039 9.888 7.906 518 HB2 LYS 65 2HB LYS 65 5.352 9.639 10.345 519 HB3 LYS 65 3HB LYS 65 6.577 10.666 9.614 520 HG2 LYS 65 2HG LYS 65 5.298 12.670 10.457 521 HG3 LYS 65 3HG LYS 65 4.231 11.564 11.333 522 HD2 LYS 65 2HD LYS 65 7.250 11.802 11.710 523 HD3 LYS 65 3HD LYS 65 6.034 12.505 12.776 524 HE2 LYS 65 2HE LYS 65 6.264 9.513 12.268 525 HE3 LYS 65 3HE LYS 65 7.089 10.341 13.587 526 HZ1 LYS 65 3HZ LYS 65 4.954 9.303 14.205 527 HZ2 LYS 65 1HZ LYS 65 4.161 10.395 13.195 528 HZ3 LYS 65 2HZ LYS 65 5.018 10.956 14.535 529 H LYS 66 H LYS 66 2.783 12.429 8.761 530 HA LYS 66 HA LYS 66 0.700 10.754 9.806 531 HB2 LYS 66 2HB LYS 66 0.635 13.573 8.664 532 HB3 LYS 66 3HB LYS 66 -0.814 12.760 9.256 533 HG2 LYS 66 2HG LYS 66 1.662 13.372 10.904 534 HG3 LYS 66 3HG LYS 66 0.145 14.279 10.942 535 HD2 LYS 66 2HD LYS 66 -1.027 12.184 11.721 536 HD3 LYS 66 3HD LYS 66 0.539 11.365 11.782 537 HE2 LYS 66 2HE LYS 66 -0.064 12.102 14.021 538 HE3 LYS 66 3HE LYS 66 1.301 13.065 13.457 539 HZ1 LYS 66 3HZ LYS 66 -0.216 14.853 12.921 540 HZ2 LYS 66 1HZ LYS 66 -0.393 14.412 14.543 541 HZ3 LYS 66 2HZ LYS 66 -1.539 13.924 13.403 542 H GLU 67 H GLU 67 1.544 11.881 6.551 543 HA GLU 67 HA GLU 67 -0.657 10.735 5.155 544 HB2 GLU 67 2HB GLU 67 2.193 11.303 4.196 545 HB3 GLU 67 3HB GLU 67 0.867 10.822 3.133 546 HG2 GLU 67 2HG GLU 67 -0.366 12.850 3.683 547 HG3 GLU 67 3HG GLU 67 0.868 13.324 4.849 548 H ALA 68 H ALA 68 2.539 9.538 6.090 549 HA ALA 68 HA ALA 68 2.450 7.014 4.857 550 HB1 ALA 68 3HB ALA 68 4.534 8.043 5.645 551 HB2 ALA 68 1HB ALA 68 4.328 6.440 6.361 552 HB3 ALA 68 2HB ALA 68 4.004 7.887 7.321 553 H GLU 69 H GLU 69 1.060 8.164 7.910 554 HA GLU 69 HA GLU 69 0.531 5.616 9.081 555 HB2 GLU 69 2HB GLU 69 -0.753 8.324 9.589 556 HB3 GLU 69 3HB GLU 69 -1.156 6.877 10.513 557 HG2 GLU 69 2HG GLU 69 1.538 8.247 10.384 558 HG3 GLU 69 3HG GLU 69 0.407 8.267 11.732 559 H LYS 70 H LYS 70 -1.559 7.888 7.250 560 HA LYS 70 HA LYS 70 -3.880 6.247 7.541 561 HB2 LYS 70 2HB LYS 70 -4.940 7.859 5.893 562 HB3 LYS 70 3HB LYS 70 -4.299 8.564 7.370 563 HG2 LYS 70 2HG LYS 70 -2.290 9.319 6.106 564 HG3 LYS 70 3HG LYS 70 -3.014 8.682 4.622 565 HD2 LYS 70 2HD LYS 70 -4.857 10.246 4.764 566 HD3 LYS 70 3HD LYS 70 -4.377 10.762 6.382 567 HE2 LYS 70 2HE LYS 70 -3.789 12.447 4.693 568 HE3 LYS 70 3HE LYS 70 -2.344 11.795 5.461 569 HZ1 LYS 70 3HZ LYS 70 -2.142 12.034 3.043 570 HZ2 LYS 70 1HZ LYS 70 -3.400 10.929 2.834 571 HZ3 LYS 70 2HZ LYS 70 -1.947 10.431 3.541 572 H PHE 71 H PHE 71 -1.451 6.504 4.954 573 HA PHE 71 HA PHE 71 -2.878 4.761 3.138 574 HB2 PHE 71 2HB PHE 71 -0.026 5.810 3.169 575 HB3 PHE 71 3HB PHE 71 -0.553 4.614 1.981 576 HD1 PHE 71 HD2 PHE 71 -1.428 7.968 3.278 577 HD2 PHE 71 HD1 PHE 71 -1.614 5.352 -0.016 578 HE1 PHE 71 HE2 PHE 71 -2.329 9.782 1.900 579 HE2 PHE 71 HE1 PHE 71 -2.522 7.163 -1.385 580 HZ PHE 71 HZ PHE 71 -2.869 9.369 -0.427 581 H ALA 72 H ALA 72 -0.540 4.320 5.736 582 HA ALA 72 HA ALA 72 0.003 1.562 5.331 583 HB1 ALA 72 3HB ALA 72 1.294 2.990 6.905 584 HB2 ALA 72 1HB ALA 72 0.703 1.510 7.660 585 HB3 ALA 72 2HB ALA 72 -0.100 3.054 7.973 586 H ALA 73 H ALA 73 -2.532 3.325 7.088 587 HA ALA 73 HA ALA 73 -3.846 1.125 8.262 588 HB1 ALA 73 3HB ALA 73 -5.729 2.678 8.576 589 HB2 ALA 73 1HB ALA 73 -4.981 3.829 7.464 590 HB3 ALA 73 2HB ALA 73 -4.195 3.443 8.999 591 H ILE 74 H ILE 74 -4.250 2.771 5.143 592 HA ILE 74 HA ILE 74 -6.417 1.296 4.095 593 HB ILE 74 HB ILE 74 -4.154 2.816 2.700 594 HG12 ILE 74 2HG1 ILE 74 -7.088 3.597 3.081 595 HG13 ILE 74 3HG1 ILE 74 -5.800 4.102 4.162 596 HG21 ILE 74 1HG2 ILE 74 -6.686 1.657 1.443 597 HG22 ILE 74 2HG2 ILE 74 -5.029 1.147 1.113 598 HG23 ILE 74 3HG2 ILE 74 -5.562 2.758 0.637 599 HD11 ILE 74 3HD1 ILE 74 -6.414 5.855 2.612 600 HD12 ILE 74 1HD1 ILE 74 -6.022 4.816 1.241 601 HD13 ILE 74 2HD1 ILE 74 -4.745 5.342 2.346 602 H LEU 75 H LEU 75 -2.897 0.748 3.941 603 HA LEU 75 HA LEU 75 -2.875 -1.554 2.300 604 HB2 LEU 75 2HB LEU 75 -0.930 -0.372 4.292 605 HB3 LEU 75 3HB LEU 75 -0.585 -1.936 3.569 606 HG LEU 75 HG LEU 75 -1.128 0.527 1.867 607 HD11 LEU 75 1HD1 LEU 75 0.827 0.987 3.324 608 HD12 LEU 75 2HD1 LEU 75 1.244 0.884 1.615 609 HD13 LEU 75 3HD1 LEU 75 1.607 -0.467 2.690 610 HD21 LEU 75 3HD2 LEU 75 0.267 -2.099 1.248 611 HD22 LEU 75 1HD2 LEU 75 -0.005 -0.762 0.122 612 HD23 LEU 75 2HD2 LEU 75 -1.373 -1.661 0.768 613 H ILE 76 H ILE 76 -2.629 -1.328 5.850 614 HA ILE 76 HA ILE 76 -2.413 -3.988 6.526 615 HB ILE 76 HB ILE 76 -3.225 -1.485 7.986 616 HG12 ILE 76 2HG1 ILE 76 -1.389 -2.104 9.527 617 HG13 ILE 76 3HG1 ILE 76 -1.227 -3.664 8.746 618 HG21 ILE 76 1HG2 ILE 76 -3.747 -2.612 10.124 619 HG22 ILE 76 2HG2 ILE 76 -3.732 -4.176 9.303 620 HG23 ILE 76 3HG2 ILE 76 -4.949 -2.969 8.884 621 HD11 ILE 76 3HD1 ILE 76 0.555 -2.190 8.112 622 HD12 ILE 76 1HD1 ILE 76 -0.597 -0.993 7.527 623 HD13 ILE 76 2HD1 ILE 76 -0.452 -2.551 6.709 624 H LYS 77 H LYS 77 -5.379 -2.118 5.899 625 HA LYS 77 HA LYS 77 -7.312 -3.985 6.756 626 HB2 LYS 77 2HB LYS 77 -7.441 -1.802 4.644 627 HB3 LYS 77 3HB LYS 77 -8.849 -2.742 5.144 628 HG2 LYS 77 2HG LYS 77 -8.643 -1.904 7.435 629 HG3 LYS 77 3HG LYS 77 -7.176 -1.022 7.004 630 HD2 LYS 77 2HD LYS 77 -9.106 0.498 7.075 631 HD3 LYS 77 3HD LYS 77 -8.462 0.384 5.435 632 HE2 LYS 77 2HE LYS 77 -10.281 -1.169 4.819 633 HE3 LYS 77 3HE LYS 77 -10.907 -1.107 6.467 634 HZ1 LYS 77 3HZ LYS 77 -10.753 1.161 4.562 635 HZ2 LYS 77 1HZ LYS 77 -11.294 1.271 6.160 636 HZ3 LYS 77 2HZ LYS 77 -12.152 0.343 5.041 637 H VAL 78 H VAL 78 -5.880 -3.479 3.558 638 HA VAL 78 HA VAL 78 -7.364 -5.393 2.077 639 HB VAL 78 HB VAL 78 -4.563 -4.297 1.550 640 HG11 VAL 78 1HG1 VAL 78 -6.537 -5.450 -0.439 641 HG12 VAL 78 2HG1 VAL 78 -5.064 -6.238 0.133 642 HG13 VAL 78 3HG1 VAL 78 -4.955 -4.757 -0.823 643 HG21 VAL 78 3HG2 VAL 78 -7.216 -3.166 0.620 644 HG22 VAL 78 1HG2 VAL 78 -5.614 -2.554 0.205 645 HG23 VAL 78 2HG2 VAL 78 -6.175 -2.484 1.874 646 H TYR 79 H TYR 79 -4.136 -5.433 3.473 647 HA TYR 79 HA TYR 79 -3.436 -8.067 2.718 648 HB2 TYR 79 2HB TYR 79 -2.156 -5.959 4.506 649 HB3 TYR 79 3HB TYR 79 -1.387 -7.512 4.163 650 HD1 TYR 79 HD1 TYR 79 -3.048 -4.740 2.181 651 HD2 TYR 79 HD2 TYR 79 0.162 -7.453 2.433 652 HE1 TYR 79 HE1 TYR 79 -2.192 -3.887 0.054 653 HE2 TYR 79 HE2 TYR 79 1.067 -6.630 0.299 654 HH TYR 79 HH TYR 79 0.086 -5.496 -1.764 655 H ALA 80 H ALA 80 -5.176 -6.774 5.400 656 HA ALA 80 HA ALA 80 -4.818 -8.780 7.359 657 HB1 ALA 80 3HB ALA 80 -5.968 -6.654 7.844 658 HB2 ALA 80 1HB ALA 80 -7.001 -8.024 8.256 659 HB3 ALA 80 2HB ALA 80 -7.293 -7.112 6.771 660 H GLU 81 H GLU 81 -6.813 -8.602 4.464 661 HA GLU 81 HA GLU 81 -8.409 -10.930 4.890 662 HB2 GLU 81 2HB GLU 81 -7.651 -9.507 2.301 663 HB3 GLU 81 3HB GLU 81 -8.942 -10.700 2.461 664 HG2 GLU 81 2HG GLU 81 -10.191 -9.211 3.937 665 HG3 GLU 81 3HG GLU 81 -8.872 -8.036 3.918 666 H LEU 82 H LEU 82 -5.184 -10.375 3.718 667 HA LEU 82 HA LEU 82 -4.888 -13.007 2.454 668 HB2 LEU 82 2HB LEU 82 -2.889 -10.722 2.740 669 HB3 LEU 82 3HB LEU 82 -2.677 -12.156 1.745 670 HG LEU 82 HG LEU 82 -4.768 -9.983 1.279 671 HD11 LEU 82 1HD1 LEU 82 -2.496 -9.194 0.796 672 HD12 LEU 82 2HD1 LEU 82 -3.455 -9.350 -0.674 673 HD13 LEU 82 3HD1 LEU 82 -2.239 -10.570 -0.284 674 HD21 LEU 82 3HD2 LEU 82 -5.226 -11.115 -0.853 675 HD22 LEU 82 1HD2 LEU 82 -5.571 -12.173 0.512 676 HD23 LEU 82 2HD2 LEU 82 -4.097 -12.407 -0.431 677 H GLY 83 H GLY 83 -4.125 -11.402 5.459 678 HA2 GLY 83 2HA GLY 83 -1.957 -13.324 6.133 679 HA3 GLY 83 3HA GLY 83 -2.167 -11.715 6.815 680 H TYR 84 H TYR 84 -5.039 -12.019 7.281 681 HA TYR 84 HA TYR 84 -6.474 -12.534 8.931 682 HB2 TYR 84 2HB TYR 84 -5.007 -15.191 8.841 683 HB3 TYR 84 3HB TYR 84 -6.409 -14.922 9.874 684 HD1 TYR 84 HD2 TYR 84 -5.280 -15.002 6.315 685 HD2 TYR 84 HD1 TYR 84 -8.640 -14.985 8.964 686 HE1 TYR 84 HE2 TYR 84 -6.764 -15.511 4.445 687 HE2 TYR 84 HE1 TYR 84 -10.128 -15.507 7.083 688 HH TYR 84 HH TYR 84 -10.160 -15.296 4.643 689 H ASN 85 H ASN 85 -3.721 -11.414 9.576 690 HA ASN 85 HA ASN 85 -3.836 -11.582 12.513 691 HB2 ASN 85 2HB ASN 85 -1.344 -12.203 10.839 692 HB3 ASN 85 3HB ASN 85 -1.241 -11.712 12.521 693 HD21 ASN 85 1HD2 ASN 85 -1.910 -13.130 14.139 694 HD22 ASN 85 2HD2 ASN 85 -2.176 -14.809 13.834 695 H ASP 86 H ASP 86 -1.990 -9.996 13.353 696 HA ASP 86 HA ASP 86 -2.331 -7.324 12.524 697 HB2 ASP 86 2HB ASP 86 0.131 -8.584 13.819 698 HB3 ASP 86 3HB ASP 86 -0.258 -6.861 13.817 699 H ILE 87 H ILE 87 -1.387 -6.201 10.802 700 HA ILE 87 HA ILE 87 0.515 -7.662 9.084 701 HB ILE 87 HB ILE 87 -1.230 -5.262 8.418 702 HG12 ILE 87 2HG1 ILE 87 -2.621 -7.255 8.771 703 HG13 ILE 87 3HG1 ILE 87 -2.578 -6.887 7.050 704 HG21 ILE 87 1HG2 ILE 87 -0.631 -5.641 6.049 705 HG22 ILE 87 2HG2 ILE 87 0.484 -6.920 6.535 706 HG23 ILE 87 3HG2 ILE 87 0.793 -5.252 7.020 707 HD11 ILE 87 3HD1 ILE 87 -1.032 -9.061 8.463 708 HD12 ILE 87 1HD1 ILE 87 -0.908 -8.676 6.742 709 HD13 ILE 87 2HD1 ILE 87 -2.432 -9.253 7.410 710 H ASN 88 H ASN 88 2.422 -6.646 8.303 711 HA ASN 88 HA ASN 88 3.694 -5.122 10.443 712 HB2 ASN 88 2HB ASN 88 4.642 -7.284 9.572 713 HB3 ASN 88 3HB ASN 88 4.915 -6.517 8.019 714 HD21 ASN 88 1HD2 ASN 88 6.848 -7.783 9.713 715 HD22 ASN 88 2HD2 ASN 88 8.020 -6.589 10.148 716 H VAL 89 H VAL 89 4.168 -3.037 10.277 717 HA VAL 89 HA VAL 89 4.369 -1.708 7.643 718 HB VAL 89 HB VAL 89 2.286 -1.011 8.732 719 HG11 VAL 89 1HG1 VAL 89 3.938 -0.130 11.135 720 HG12 VAL 89 2HG1 VAL 89 2.825 -1.500 11.087 721 HG13 VAL 89 3HG1 VAL 89 2.206 0.143 10.911 722 HG21 VAL 89 3HG2 VAL 89 2.623 1.442 8.770 723 HG22 VAL 89 1HG2 VAL 89 3.480 0.689 7.424 724 HG23 VAL 89 2HG2 VAL 89 4.370 1.205 8.859 725 H THR 90 H THR 90 6.127 -0.449 7.339 726 HA THR 90 HA THR 90 7.869 0.381 9.553 727 HB THR 90 HB THR 90 8.943 -1.044 7.065 728 HG1 THR 90 HG1 THR 90 8.254 -1.978 9.623 729 HG21 THR 90 3HG2 THR 90 10.530 0.604 8.037 730 HG22 THR 90 1HG2 THR 90 11.104 -1.053 8.258 731 HG23 THR 90 2HG2 THR 90 10.376 -0.182 9.610 732 H TRP 91 H TRP 91 9.259 2.216 8.914 733 HA TRP 91 HA TRP 91 8.287 3.690 6.528 734 HB2 TRP 91 2HB TRP 91 8.818 4.969 9.245 735 HB3 TRP 91 3HB TRP 91 8.098 5.739 7.829 736 HD1 TRP 91 HD1 TRP 91 5.510 4.893 7.188 737 HE1 TRP 91 HE1 TRP 91 3.647 4.010 8.729 738 HE3 TRP 91 HE3 TRP 91 8.314 3.676 11.301 739 HZ2 TRP 91 HZ2 TRP 91 3.387 2.938 11.324 740 HZ3 TRP 91 HZ3 TRP 91 7.179 2.714 13.265 741 HH2 TRP 91 HH2 TRP 91 4.759 2.351 13.275 742 H ASP 92 H ASP 92 9.870 4.449 5.286 743 HA ASP 92 HA ASP 92 12.425 5.364 6.280 744 HB2 ASP 92 2HB ASP 92 13.853 3.772 5.086 745 HB3 ASP 92 3HB ASP 92 12.820 2.889 6.200 746 H GLY 93 H GLY 93 13.437 6.714 4.809 747 HA2 GLY 93 2HA GLY 93 13.718 8.102 3.016 748 HA3 GLY 93 3HA GLY 93 13.016 6.830 2.017 749 H ASP 94 H ASP 94 11.414 8.436 4.711 750 HA ASP 94 HA ASP 94 9.568 9.717 4.982 751 HB2 ASP 94 2HB ASP 94 9.854 10.563 2.070 752 HB3 ASP 94 3HB ASP 94 8.876 11.373 3.288 753 H THR 95 H THR 95 9.599 6.965 3.426 754 HA THR 95 HA THR 95 6.927 7.075 2.142 755 HB THR 95 HB THR 95 9.416 5.473 1.362 756 HG1 THR 95 HG1 THR 95 9.213 7.875 0.946 757 HG21 THR 95 3HG2 THR 95 7.299 4.274 0.780 758 HG22 THR 95 1HG2 THR 95 8.204 4.796 -0.648 759 HG23 THR 95 2HG2 THR 95 6.782 5.696 -0.125 760 H VAL 96 H VAL 96 5.530 5.332 2.560 761 HA VAL 96 HA VAL 96 6.174 3.757 4.954 762 HB VAL 96 HB VAL 96 4.090 4.943 5.157 763 HG11 VAL 96 1HG1 VAL 96 2.148 4.640 3.669 764 HG12 VAL 96 2HG1 VAL 96 3.105 3.597 2.612 765 HG13 VAL 96 3HG1 VAL 96 3.528 5.303 2.788 766 HG21 VAL 96 3HG2 VAL 96 3.547 1.982 4.703 767 HG22 VAL 96 1HG2 VAL 96 2.511 3.084 5.610 768 HG23 VAL 96 2HG2 VAL 96 4.134 2.727 6.194 769 H THR 97 H THR 97 6.978 1.826 4.691 770 HA THR 97 HA THR 97 6.351 0.160 2.342 771 HB THR 97 HB THR 97 8.721 -0.053 4.250 772 HG1 THR 97 HG1 THR 97 9.484 1.563 3.145 773 HG21 THR 97 3HG2 THR 97 9.710 -1.478 2.482 774 HG22 THR 97 1HG2 THR 97 8.227 -1.339 1.537 775 HG23 THR 97 2HG2 THR 97 8.207 -2.179 3.091 776 H VAL 98 H VAL 98 4.609 -1.057 2.929 777 HA VAL 98 HA VAL 98 4.582 -2.554 5.476 778 HB VAL 98 HB VAL 98 2.424 -1.979 3.399 779 HG11 VAL 98 1HG1 VAL 98 2.164 -3.889 5.761 780 HG12 VAL 98 2HG1 VAL 98 2.096 -4.329 4.054 781 HG13 VAL 98 3HG1 VAL 98 0.826 -3.324 4.753 782 HG21 VAL 98 3HG2 VAL 98 1.260 -0.908 5.300 783 HG22 VAL 98 1HG2 VAL 98 2.863 -0.203 5.066 784 HG23 VAL 98 2HG2 VAL 98 2.586 -1.353 6.378 785 H GLU 99 H GLU 99 5.245 -4.586 5.493 786 HA GLU 99 HA GLU 99 4.911 -6.394 3.242 787 HB2 GLU 99 2HB GLU 99 7.122 -5.097 2.924 788 HB3 GLU 99 3HB GLU 99 7.716 -5.918 4.360 789 HG2 GLU 99 2HG GLU 99 6.740 -7.376 1.881 790 HG3 GLU 99 3HG GLU 99 8.410 -6.863 2.091 791 H GLY 100 H GLY 100 4.023 -8.108 4.217 792 HA2 GLY 100 2HA GLY 100 4.164 -10.127 5.360 793 HA3 GLY 100 3HA GLY 100 5.435 -9.466 6.385 794 H GLN 101 H GLN 101 4.547 -10.057 8.335 795 HA GLN 101 HA GLN 101 2.281 -8.528 9.309 796 HB2 GLN 101 2HB GLN 101 1.116 -10.581 10.213 797 HB3 GLN 101 3HB GLN 101 1.067 -10.409 8.469 798 HG2 GLN 101 2HG GLN 101 1.422 -12.687 8.812 799 HG3 GLN 101 3HG GLN 101 3.021 -12.071 8.403 800 HE21 GLN 101 1HE2 GLN 101 4.065 -13.799 9.392 801 HE22 GLN 101 2HE2 GLN 101 4.106 -14.018 11.104 802 H LEU 102 H LEU 102 2.122 -8.476 11.615 803 HA LEU 102 HA LEU 102 4.714 -8.451 12.894 804 HB2 LEU 102 2HB LEU 102 1.973 -7.580 13.868 805 HB3 LEU 102 3HB LEU 102 3.464 -7.325 14.761 806 HG LEU 102 HG LEU 102 2.862 -6.103 12.032 807 HD11 LEU 102 1HD1 LEU 102 1.342 -5.195 13.708 808 HD12 LEU 102 2HD1 LEU 102 2.524 -3.984 13.219 809 HD13 LEU 102 3HD1 LEU 102 2.701 -4.812 14.771 810 HD21 LEU 102 3HD2 LEU 102 5.272 -6.367 12.432 811 HD22 LEU 102 1HD2 LEU 102 5.127 -5.539 13.987 812 HD23 LEU 102 2HD2 LEU 102 4.816 -4.668 12.481 813 H GLU 103 H GLU 103 5.168 -9.383 14.931 814 HA GLU 103 HA GLU 103 3.707 -11.868 15.633 815 HB2 GLU 103 2HB GLU 103 5.830 -12.541 16.776 816 HB3 GLU 103 3HB GLU 103 6.041 -12.282 15.048 817 HG2 GLU 103 2HG GLU 103 7.141 -10.158 15.426 818 HG3 GLU 103 3HG GLU 103 6.758 -10.211 17.148 819 H GLY 104 H GLY 104 4.440 -12.310 18.189 820 HA2 GLY 104 2HA GLY 104 4.623 -11.524 20.387 821 HA3 GLY 104 3HA GLY 104 4.245 -9.897 19.841 822 H VAL 105 H VAL 105 2.790 -13.119 20.290 823 HA VAL 105 HA VAL 105 0.087 -12.165 20.393 824 HB VAL 105 HB VAL 105 0.458 -14.449 19.678 825 HG11 VAL 105 1HG1 VAL 105 1.629 -15.088 22.411 826 HG12 VAL 105 2HG1 VAL 105 2.527 -14.997 20.896 827 HG13 VAL 105 3HG1 VAL 105 1.312 -16.257 21.123 828 HG21 VAL 105 3HG2 VAL 105 -0.949 -14.454 22.372 829 HG22 VAL 105 1HG2 VAL 105 -1.133 -15.684 21.117 830 HG23 VAL 105 2HG2 VAL 105 -1.673 -14.029 20.819 831 H ASP 106 H ASP 106 -0.105 -10.557 21.889 832 HA ASP 106 HA ASP 106 0.852 -10.777 24.608 833 HB2 ASP 106 2HB ASP 106 0.812 -8.584 23.494 834 HB3 ASP 106 3HB ASP 106 -0.935 -8.686 23.282 Start of MODEL 18 1 H1 MET 1 1H MET 1 -9.454 24.663 9.775 2 H2 MET 1 2H MET 1 -9.890 23.044 9.965 3 H3 MET 1 3H MET 1 -11.083 24.213 9.708 4 HA MET 1 HA MET 1 -10.689 22.922 7.727 5 HB2 MET 1 2HB MET 1 -10.354 24.790 6.150 6 HB3 MET 1 3HB MET 1 -11.395 25.281 7.477 7 HG2 MET 1 2HG MET 1 -9.595 26.533 8.503 8 HG3 MET 1 3HG MET 1 -8.442 25.926 7.314 9 HE1 MET 1 3HE MET 1 -7.616 28.387 6.658 10 HE2 MET 1 1HE MET 1 -8.679 29.022 7.921 11 HE3 MET 1 2HE MET 1 -8.731 29.703 6.295 12 H HIS 2 H HIS 2 -9.234 22.602 5.853 13 HA HIS 2 HA HIS 2 -6.340 22.774 6.389 14 HB2 HIS 2 2HB HIS 2 -7.165 20.471 7.054 15 HB3 HIS 2 3HB HIS 2 -7.736 20.235 5.406 16 HD1 HIS 2 HD1 HIS 2 -6.110 19.107 3.889 17 HD2 HIS 2 HD2 HIS 2 -4.206 20.900 7.115 18 HE1 HIS 2 HE1 HIS 2 -3.687 18.514 3.655 19 HE2 HIS 2 HE2 HIS 2 -2.601 19.428 5.733 20 H HIS 3 H HIS 3 -7.572 24.579 4.914 21 HA HIS 3 HA HIS 3 -7.857 23.988 2.126 22 HB2 HIS 3 2HB HIS 3 -7.814 26.559 3.734 23 HB3 HIS 3 3HB HIS 3 -7.672 26.640 1.984 24 HD1 HIS 3 HD1 HIS 3 -9.816 26.941 0.821 25 HD2 HIS 3 HD2 HIS 3 -10.321 24.959 4.444 26 HE1 HIS 3 HE1 HIS 3 -12.291 26.603 1.069 27 HE2 HIS 3 HE2 HIS 3 -12.570 25.415 3.269 28 H HIS 4 H HIS 4 -6.056 23.128 1.224 29 HA HIS 4 HA HIS 4 -3.907 25.078 0.607 30 HB2 HIS 4 2HB HIS 4 -3.588 22.047 0.959 31 HB3 HIS 4 3HB HIS 4 -2.393 23.050 0.147 32 HD1 HIS 4 HD1 HIS 4 -0.715 24.236 1.590 33 HD2 HIS 4 HD2 HIS 4 -3.827 22.590 3.796 34 HE1 HIS 4 HE1 HIS 4 -0.045 24.484 3.991 35 HE2 HIS 4 HE2 HIS 4 -2.048 23.704 5.287 36 H HIS 5 H HIS 5 -4.775 25.801 -1.297 37 HA HIS 5 HA HIS 5 -6.338 24.241 -3.081 38 HB2 HIS 5 2HB HIS 5 -6.490 26.737 -2.948 39 HB3 HIS 5 3HB HIS 5 -4.880 26.869 -3.650 40 HD1 HIS 5 HD1 HIS 5 -4.650 26.367 -6.194 41 HD2 HIS 5 HD2 HIS 5 -8.550 26.130 -4.774 42 HE1 HIS 5 HE1 HIS 5 -6.110 26.260 -8.231 43 HE2 HIS 5 HE2 HIS 5 -8.426 25.888 -7.339 44 H HIS 6 H HIS 6 -5.426 22.452 -3.919 45 HA HIS 6 HA HIS 6 -2.812 22.595 -5.296 46 HB2 HIS 6 2HB HIS 6 -1.969 20.637 -4.178 47 HB3 HIS 6 3HB HIS 6 -2.530 21.728 -2.919 48 HD1 HIS 6 HD1 HIS 6 -2.337 18.368 -3.262 49 HD2 HIS 6 HD2 HIS 6 -5.623 20.794 -2.537 50 HE1 HIS 6 HE1 HIS 6 -4.065 16.864 -2.259 51 HE2 HIS 6 HE2 HIS 6 -6.031 18.357 -1.796 52 H HIS 7 H HIS 7 -2.417 20.793 -6.711 53 HA HIS 7 HA HIS 7 -4.831 19.453 -7.788 54 HB2 HIS 7 2HB HIS 7 -2.051 19.827 -8.994 55 HB3 HIS 7 3HB HIS 7 -3.375 18.965 -9.772 56 HD1 HIS 7 HD1 HIS 7 -5.374 20.414 -10.661 57 HD2 HIS 7 HD2 HIS 7 -2.165 22.614 -9.190 58 HE1 HIS 7 HE1 HIS 7 -5.734 22.762 -11.467 59 HE2 HIS 7 HE2 HIS 7 -3.860 24.093 -10.450 60 H ARG 8 H ARG 8 -1.690 18.945 -6.293 61 HA ARG 8 HA ARG 8 -2.131 16.023 -6.081 62 HB2 ARG 8 2HB ARG 8 0.388 17.401 -7.116 63 HB3 ARG 8 3HB ARG 8 0.357 15.719 -6.596 64 HG2 ARG 8 2HG ARG 8 -1.151 15.131 -8.386 65 HG3 ARG 8 3HG ARG 8 -1.340 16.824 -8.849 66 HD2 ARG 8 2HD ARG 8 0.915 16.953 -9.646 67 HD3 ARG 8 3HD ARG 8 1.340 15.401 -8.912 68 HE ARG 8 HE ARG 8 -0.536 14.581 -10.557 69 HH11 ARG 8 1HH1 ARG 8 2.067 16.851 -11.247 70 HH12 ARG 8 2HH1 ARG 8 2.144 16.431 -12.928 71 HH21 ARG 8 1HH2 ARG 8 -0.431 14.052 -12.764 72 HH22 ARG 8 2HH2 ARG 8 0.727 14.846 -13.783 73 H SER 9 H SER 9 0.001 18.747 -5.107 74 HA SER 9 HA SER 9 1.471 19.068 -3.424 75 HB2 SER 9 2HB SER 9 -0.420 17.334 -1.764 76 HB3 SER 9 3HB SER 9 0.855 18.368 -1.114 77 HG SER 9 HG SER 9 -0.247 20.158 -1.885 78 H GLY 10 H GLY 10 2.046 17.118 -5.300 79 HA2 GLY 10 2HA GLY 10 3.659 15.469 -5.640 80 HA3 GLY 10 3HA GLY 10 3.664 15.106 -3.918 81 H ASP 11 H ASP 11 3.314 13.401 -6.411 82 HA ASP 11 HA ASP 11 0.623 12.330 -6.296 83 HB2 ASP 11 2HB ASP 11 3.118 11.310 -7.741 84 HB3 ASP 11 3HB ASP 11 1.502 10.623 -7.925 85 H ILE 12 H ILE 12 0.126 10.175 -5.777 86 HA ILE 12 HA ILE 12 1.736 8.967 -3.621 87 HB ILE 12 HB ILE 12 -1.072 8.223 -4.577 88 HG12 ILE 12 2HG1 ILE 12 -0.283 10.065 -2.280 89 HG13 ILE 12 3HG1 ILE 12 -1.050 10.559 -3.780 90 HG21 ILE 12 1HG2 ILE 12 0.067 6.430 -3.332 91 HG22 ILE 12 2HG2 ILE 12 -1.295 7.076 -2.418 92 HG23 ILE 12 3HG2 ILE 12 0.353 7.535 -1.984 93 HD11 ILE 12 3HD1 ILE 12 -2.635 10.511 -1.964 94 HD12 ILE 12 1HD1 ILE 12 -2.300 8.805 -1.667 95 HD13 ILE 12 2HD1 ILE 12 -3.058 9.310 -3.181 96 H GLN 13 H GLN 13 3.308 7.793 -4.622 97 HA GLN 13 HA GLN 13 2.663 6.012 -6.871 98 HB2 GLN 13 2HB GLN 13 4.572 7.588 -7.134 99 HB3 GLN 13 3HB GLN 13 5.365 6.859 -5.745 100 HG2 GLN 13 2HG GLN 13 5.550 4.719 -6.964 101 HG3 GLN 13 3HG GLN 13 4.739 5.439 -8.357 102 HE21 GLN 13 1HE2 GLN 13 7.370 4.264 -8.273 103 HE22 GLN 13 2HE2 GLN 13 8.479 5.499 -8.748 104 H VAL 14 H VAL 14 2.170 4.052 -6.371 105 HA VAL 14 HA VAL 14 3.008 2.690 -3.919 106 HB VAL 14 HB VAL 14 1.102 1.832 -6.165 107 HG11 VAL 14 1HG1 VAL 14 0.295 0.096 -4.602 108 HG12 VAL 14 2HG1 VAL 14 1.516 0.583 -3.424 109 HG13 VAL 14 3HG1 VAL 14 2.009 -0.116 -4.967 110 HG21 VAL 14 3HG2 VAL 14 0.259 3.820 -4.979 111 HG22 VAL 14 1HG2 VAL 14 0.436 2.990 -3.430 112 HG23 VAL 14 2HG2 VAL 14 -0.737 2.406 -4.617 113 H GLN 15 H GLN 15 5.100 1.909 -4.185 114 HA GLN 15 HA GLN 15 5.825 0.450 -6.638 115 HB2 GLN 15 2HB GLN 15 7.539 1.257 -4.240 116 HB3 GLN 15 3HB GLN 15 8.127 0.428 -5.681 117 HG2 GLN 15 2HG GLN 15 7.519 2.395 -7.057 118 HG3 GLN 15 3HG GLN 15 6.948 3.224 -5.610 119 HE21 GLN 15 1HE2 GLN 15 9.147 3.907 -7.515 120 HE22 GLN 15 2HE2 GLN 15 10.546 4.105 -6.526 121 H ASN 16 H ASN 16 5.016 -1.556 -6.554 122 HA ASN 16 HA ASN 16 5.322 -3.196 -4.107 123 HB2 ASN 16 2HB ASN 16 3.000 -3.128 -4.796 124 HB3 ASN 16 3HB ASN 16 3.417 -3.453 -6.471 125 HD21 ASN 16 1HD2 ASN 16 3.102 -4.884 -3.271 126 HD22 ASN 16 2HD2 ASN 16 3.058 -6.526 -3.809 127 H ASN 17 H ASN 17 6.468 -5.069 -4.205 128 HA ASN 17 HA ASN 17 7.431 -6.121 -6.775 129 HB2 ASN 17 2HB ASN 17 9.294 -4.738 -5.799 130 HB3 ASN 17 3HB ASN 17 9.238 -5.718 -4.337 131 HD21 ASN 17 1HD2 ASN 17 10.082 -5.688 -7.742 132 HD22 ASN 17 2HD2 ASN 17 11.067 -7.110 -7.713 133 H ASN 18 H ASN 18 7.511 -8.353 -6.793 134 HA ASN 18 HA ASN 18 6.515 -9.783 -4.388 135 HB2 ASN 18 2HB ASN 18 5.698 -10.150 -7.308 136 HB3 ASN 18 3HB ASN 18 5.258 -11.271 -6.022 137 HD21 ASN 18 1HD2 ASN 18 3.589 -9.551 -7.771 138 HD22 ASN 18 2HD2 ASN 18 2.617 -8.615 -6.695 139 H THR 19 H THR 19 7.697 -11.462 -3.793 140 HA THR 19 HA THR 19 10.036 -12.301 -5.340 141 HB THR 19 HB THR 19 9.274 -12.898 -2.445 142 HG1 THR 19 HG1 THR 19 9.691 -10.728 -2.580 143 HG21 THR 19 3HG2 THR 19 11.637 -13.541 -2.138 144 HG22 THR 19 1HG2 THR 19 11.951 -13.265 -3.854 145 HG23 THR 19 2HG2 THR 19 10.874 -14.570 -3.351 146 H CYS 20 H CYS 20 9.646 -13.909 -6.643 147 HA CYS 20 HA CYS 20 8.664 -16.478 -5.818 148 HB2 CYS 20 2HB CYS 20 7.024 -14.767 -7.731 149 HB3 CYS 20 3HB CYS 20 6.928 -16.523 -7.752 150 H ASN 21 H ASN 21 8.501 -17.841 -8.063 151 HA ASN 21 HA ASN 21 11.069 -17.950 -9.229 152 HB2 ASN 21 2HB ASN 21 9.440 -19.862 -9.152 153 HB3 ASN 21 3HB ASN 21 8.444 -19.049 -10.353 154 HD21 ASN 21 1HD2 ASN 21 8.635 -20.597 -11.954 155 HD22 ASN 21 2HD2 ASN 21 10.122 -20.990 -12.739 156 H GLY 22 H GLY 22 11.694 -17.517 -11.473 157 HA2 GLY 22 2HA GLY 22 11.163 -15.051 -12.606 158 HA3 GLY 22 3HA GLY 22 11.766 -16.438 -13.496 159 H LYS 23 H LYS 23 9.957 -14.335 -14.362 160 HA LYS 23 HA LYS 23 8.177 -14.044 -15.719 161 HB2 LYS 23 2HB LYS 23 8.122 -16.465 -16.329 162 HB3 LYS 23 3HB LYS 23 7.152 -16.802 -14.909 163 HG2 LYS 23 2HG LYS 23 5.755 -16.806 -16.884 164 HG3 LYS 23 3HG LYS 23 5.308 -15.448 -15.848 165 HD2 LYS 23 2HD LYS 23 6.603 -13.916 -17.315 166 HD3 LYS 23 3HD LYS 23 7.047 -15.283 -18.343 167 HE2 LYS 23 2HE LYS 23 4.626 -15.643 -18.844 168 HE3 LYS 23 3HE LYS 23 4.238 -14.210 -17.886 169 HZ1 LYS 23 3HZ LYS 23 5.879 -14.298 -20.358 170 HZ2 LYS 23 1HZ LYS 23 5.644 -12.914 -19.416 171 HZ3 LYS 23 2HZ LYS 23 4.333 -13.640 -20.198 172 H THR 24 H THR 24 8.251 -14.322 -12.400 173 HA THR 24 HA THR 24 5.576 -13.694 -11.671 174 HB THR 24 HB THR 24 7.197 -14.440 -9.962 175 HG1 THR 24 HG1 THR 24 6.696 -12.071 -8.770 176 HG21 THR 24 3HG2 THR 24 8.882 -12.910 -9.004 177 HG22 THR 24 1HG2 THR 24 8.510 -11.705 -10.242 178 HG23 THR 24 2HG2 THR 24 9.242 -13.245 -10.699 179 H PHE 25 H PHE 25 4.561 -11.717 -11.281 180 HA PHE 25 HA PHE 25 5.722 -9.329 -12.610 181 HB2 PHE 25 2HB PHE 25 2.804 -10.176 -12.301 182 HB3 PHE 25 3HB PHE 25 3.332 -8.647 -12.991 183 HD1 PHE 25 HD2 PHE 25 4.757 -8.687 -15.126 184 HD2 PHE 25 HD1 PHE 25 2.646 -12.126 -13.684 185 HE1 PHE 25 HE2 PHE 25 4.917 -9.730 -17.347 186 HE2 PHE 25 HE1 PHE 25 2.818 -13.157 -15.914 187 HZ PHE 25 HZ PHE 25 3.950 -11.958 -17.744 188 H ASP 26 H ASP 26 5.958 -7.538 -11.423 189 HA ASP 26 HA ASP 26 4.887 -7.346 -8.689 190 HB2 ASP 26 2HB ASP 26 6.402 -5.466 -8.420 191 HB3 ASP 26 3HB ASP 26 7.301 -6.778 -9.162 192 H TYR 27 H TYR 27 3.721 -5.323 -8.082 193 HA TYR 27 HA TYR 27 2.011 -4.351 -10.319 194 HB2 TYR 27 2HB TYR 27 1.133 -4.883 -7.446 195 HB3 TYR 27 3HB TYR 27 0.104 -4.362 -8.774 196 HD1 TYR 27 HD1 TYR 27 0.187 -6.022 -10.920 197 HD2 TYR 27 HD2 TYR 27 1.070 -7.182 -6.904 198 HE1 TYR 27 HE1 TYR 27 -0.292 -8.366 -11.495 199 HE2 TYR 27 HE2 TYR 27 0.594 -9.524 -7.479 200 HH TYR 27 HH TYR 27 -0.699 -10.785 -9.142 201 H THR 28 H THR 28 3.955 -2.751 -10.184 202 HA THR 28 HA THR 28 3.671 -0.671 -8.159 203 HB THR 28 HB THR 28 5.518 -0.879 -10.578 204 HG1 THR 28 HG1 THR 28 5.999 -2.356 -8.913 205 HG21 THR 28 3HG2 THR 28 6.800 0.997 -9.560 206 HG22 THR 28 1HG2 THR 28 5.538 1.190 -8.337 207 HG23 THR 28 2HG2 THR 28 5.182 1.512 -10.035 208 H TYR 29 H TYR 29 2.227 0.880 -8.353 209 HA TYR 29 HA TYR 29 1.328 1.905 -10.989 210 HB2 TYR 29 2HB TYR 29 -0.368 1.546 -8.469 211 HB3 TYR 29 3HB TYR 29 -0.926 2.231 -9.988 212 HD1 TYR 29 HD1 TYR 29 -0.753 0.611 -12.105 213 HD2 TYR 29 HD2 TYR 29 -0.775 -0.745 -8.047 214 HE1 TYR 29 HE1 TYR 29 -1.526 -1.608 -12.845 215 HE2 TYR 29 HE2 TYR 29 -1.540 -2.955 -8.791 216 HH TYR 29 HH TYR 29 -1.525 -3.949 -12.031 217 H THR 30 H THR 30 0.675 4.214 -10.924 218 HA THR 30 HA THR 30 1.340 5.706 -8.448 219 HB THR 30 HB THR 30 1.882 6.709 -11.284 220 HG1 THR 30 HG1 THR 30 3.315 5.016 -9.981 221 HG21 THR 30 3HG2 THR 30 3.068 8.584 -10.137 222 HG22 THR 30 1HG2 THR 30 2.537 7.960 -8.578 223 HG23 THR 30 2HG2 THR 30 1.348 8.569 -9.736 224 H VAL 31 H VAL 31 -0.470 6.570 -7.682 225 HA VAL 31 HA VAL 31 -2.604 7.552 -9.498 226 HB VAL 31 HB VAL 31 -4.123 7.440 -7.534 227 HG11 VAL 31 1HG1 VAL 31 -4.342 4.981 -7.398 228 HG12 VAL 31 2HG1 VAL 31 -2.733 4.799 -8.107 229 HG13 VAL 31 3HG1 VAL 31 -4.037 5.522 -9.048 230 HG21 VAL 31 3HG2 VAL 31 -2.521 7.746 -5.708 231 HG22 VAL 31 1HG2 VAL 31 -1.786 6.178 -6.055 232 HG23 VAL 31 2HG2 VAL 31 -3.446 6.267 -5.459 233 H THR 32 H THR 32 -3.505 9.676 -9.023 234 HA THR 32 HA THR 32 -1.384 11.496 -8.091 235 HB THR 32 HB THR 32 -2.370 11.732 -10.409 236 HG1 THR 32 HG1 THR 32 -1.396 13.479 -9.027 237 HG21 THR 32 3HG2 THR 32 -4.526 12.870 -10.690 238 HG22 THR 32 1HG2 THR 32 -4.797 12.836 -8.948 239 HG23 THR 32 2HG2 THR 32 -4.760 11.328 -9.863 240 H THR 33 H THR 33 -4.242 10.210 -6.830 241 HA THR 33 HA THR 33 -4.529 12.327 -4.811 242 HB THR 33 HB THR 33 -6.892 11.388 -6.508 243 HG1 THR 33 HG1 THR 33 -5.142 13.509 -6.778 244 HG21 THR 33 3HG2 THR 33 -7.580 11.960 -4.187 245 HG22 THR 33 1HG2 THR 33 -8.213 13.116 -5.362 246 HG23 THR 33 2HG2 THR 33 -6.826 13.548 -4.361 247 H GLU 34 H GLU 34 -5.702 11.662 -2.928 248 HA GLU 34 HA GLU 34 -5.189 9.097 -1.931 249 HB2 GLU 34 2HB GLU 34 -7.254 11.095 -0.919 250 HB3 GLU 34 3HB GLU 34 -6.543 9.773 0.010 251 HG2 GLU 34 2HG GLU 34 -4.335 10.865 -0.116 252 HG3 GLU 34 3HG GLU 34 -5.028 12.166 -1.085 253 H SER 35 H SER 35 -8.158 10.471 -3.298 254 HA SER 35 HA SER 35 -9.997 8.430 -2.851 255 HB2 SER 35 2HB SER 35 -10.646 10.615 -3.767 256 HB3 SER 35 3HB SER 35 -9.736 10.306 -5.244 257 HG SER 35 HG SER 35 -11.307 9.083 -5.967 258 H GLU 36 H GLU 36 -7.723 8.877 -5.535 259 HA GLU 36 HA GLU 36 -8.529 6.628 -7.065 260 HB2 GLU 36 2HB GLU 36 -5.792 7.945 -7.223 261 HB3 GLU 36 3HB GLU 36 -6.689 7.148 -8.511 262 HG2 GLU 36 2HG GLU 36 -7.217 9.862 -7.271 263 HG3 GLU 36 3HG GLU 36 -6.731 9.508 -8.925 264 H LEU 37 H LEU 37 -6.330 7.057 -4.402 265 HA LEU 37 HA LEU 37 -4.784 4.683 -4.674 266 HB2 LEU 37 2HB LEU 37 -4.102 6.654 -3.283 267 HB3 LEU 37 3HB LEU 37 -5.396 6.273 -2.154 268 HG LEU 37 HG LEU 37 -4.292 4.018 -1.754 269 HD11 LEU 37 1HD1 LEU 37 -2.022 5.222 -3.352 270 HD12 LEU 37 2HD1 LEU 37 -3.014 3.832 -3.802 271 HD13 LEU 37 3HD1 LEU 37 -1.945 3.731 -2.406 272 HD21 LEU 37 3HD2 LEU 37 -2.545 4.858 -0.280 273 HD22 LEU 37 1HD2 LEU 37 -4.005 5.837 -0.162 274 HD23 LEU 37 2HD2 LEU 37 -2.612 6.439 -1.067 275 H GLN 38 H GLN 38 -7.744 5.513 -2.890 276 HA GLN 38 HA GLN 38 -8.094 3.082 -1.482 277 HB2 GLN 38 2HB GLN 38 -10.218 5.067 -2.414 278 HB3 GLN 38 3HB GLN 38 -10.444 3.843 -1.169 279 HG2 GLN 38 2HG GLN 38 -8.427 6.100 -0.951 280 HG3 GLN 38 3HG GLN 38 -10.075 6.206 -0.343 281 HE21 GLN 38 1HE2 GLN 38 -9.299 6.562 1.769 282 HE22 GLN 38 2HE2 GLN 38 -8.629 5.293 2.731 283 H LYS 39 H LYS 39 -8.970 4.107 -4.729 284 HA LYS 39 HA LYS 39 -10.581 1.842 -5.416 285 HB2 LYS 39 2HB LYS 39 -9.417 4.166 -6.943 286 HB3 LYS 39 3HB LYS 39 -9.874 2.751 -7.865 287 HG2 LYS 39 2HG LYS 39 -11.761 4.054 -8.060 288 HG3 LYS 39 3HG LYS 39 -12.204 3.009 -6.717 289 HD2 LYS 39 2HD LYS 39 -11.041 5.773 -6.261 290 HD3 LYS 39 3HD LYS 39 -12.754 5.546 -6.593 291 HE2 LYS 39 2HE LYS 39 -11.249 4.344 -4.250 292 HE3 LYS 39 3HE LYS 39 -12.307 5.753 -4.189 293 HZ1 LYS 39 3HZ LYS 39 -14.140 4.325 -4.928 294 HZ2 LYS 39 1HZ LYS 39 -13.488 3.825 -3.455 295 HZ3 LYS 39 2HZ LYS 39 -13.122 2.980 -4.866 296 H VAL 40 H VAL 40 -7.117 2.705 -6.031 297 HA VAL 40 HA VAL 40 -6.636 0.432 -7.683 298 HB VAL 40 HB VAL 40 -5.242 2.493 -7.861 299 HG11 VAL 40 1HG1 VAL 40 -3.925 1.605 -5.280 300 HG12 VAL 40 2HG1 VAL 40 -4.927 3.037 -5.502 301 HG13 VAL 40 3HG1 VAL 40 -3.375 2.918 -6.326 302 HG21 VAL 40 3HG2 VAL 40 -4.444 0.379 -8.839 303 HG22 VAL 40 1HG2 VAL 40 -3.613 -0.019 -7.333 304 HG23 VAL 40 2HG2 VAL 40 -3.092 1.372 -8.292 305 H LEU 41 H LEU 41 -6.218 0.990 -4.200 306 HA LEU 41 HA LEU 41 -4.864 -1.484 -3.679 307 HB2 LEU 41 2HB LEU 41 -5.955 0.754 -2.041 308 HB3 LEU 41 3HB LEU 41 -5.939 -0.798 -1.229 309 HG LEU 41 HG LEU 41 -3.922 0.496 -0.700 310 HD11 LEU 41 1HD1 LEU 41 -3.382 -2.003 -2.327 311 HD12 LEU 41 2HD1 LEU 41 -3.677 -1.878 -0.588 312 HD13 LEU 41 3HD1 LEU 41 -2.202 -1.215 -1.277 313 HD21 LEU 41 3HD2 LEU 41 -2.204 1.021 -2.340 314 HD22 LEU 41 1HD2 LEU 41 -3.723 1.806 -2.771 315 HD23 LEU 41 2HD2 LEU 41 -3.201 0.362 -3.644 316 H ASN 42 H ASN 42 -8.219 -0.510 -3.839 317 HA ASN 42 HA ASN 42 -9.480 -2.715 -2.632 318 HB2 ASN 42 2HB ASN 42 -10.641 -0.590 -3.260 319 HB3 ASN 42 3HB ASN 42 -10.482 -1.008 -4.961 320 HD21 ASN 42 1HD2 ASN 42 -11.754 -2.765 -5.784 321 HD22 ASN 42 2HD2 ASN 42 -13.178 -3.285 -4.958 322 H GLU 43 H GLU 43 -8.607 -2.131 -6.071 323 HA GLU 43 HA GLU 43 -9.358 -4.786 -6.917 324 HB2 GLU 43 2HB GLU 43 -8.434 -4.165 -9.112 325 HB3 GLU 43 3HB GLU 43 -9.521 -2.920 -8.506 326 HG2 GLU 43 2HG GLU 43 -7.662 -1.485 -7.927 327 HG3 GLU 43 3HG GLU 43 -6.499 -2.753 -8.304 328 H LEU 44 H LEU 44 -6.418 -3.262 -5.752 329 HA LEU 44 HA LEU 44 -4.464 -4.949 -6.897 330 HB2 LEU 44 2HB LEU 44 -3.988 -2.737 -5.852 331 HB3 LEU 44 3HB LEU 44 -4.314 -3.419 -4.269 332 HG LEU 44 HG LEU 44 -2.332 -4.860 -4.437 333 HD11 LEU 44 1HD1 LEU 44 -0.786 -4.727 -6.330 334 HD12 LEU 44 2HD1 LEU 44 -1.915 -3.672 -7.185 335 HD13 LEU 44 3HD1 LEU 44 -2.366 -5.338 -6.815 336 HD21 LEU 44 3HD2 LEU 44 -0.563 -3.152 -4.404 337 HD22 LEU 44 1HD2 LEU 44 -1.996 -2.602 -3.536 338 HD23 LEU 44 2HD2 LEU 44 -1.656 -1.985 -5.154 339 H LYS 45 H LYS 45 -6.353 -5.195 -3.955 340 HA LYS 45 HA LYS 45 -5.255 -7.343 -2.614 341 HB2 LYS 45 2HB LYS 45 -7.159 -5.911 -1.875 342 HB3 LYS 45 3HB LYS 45 -8.207 -6.724 -3.033 343 HG2 LYS 45 2HG LYS 45 -7.777 -8.879 -1.784 344 HG3 LYS 45 3HG LYS 45 -6.888 -7.937 -0.582 345 HD2 LYS 45 2HD LYS 45 -9.179 -8.317 0.190 346 HD3 LYS 45 3HD LYS 45 -8.936 -6.598 -0.125 347 HE2 LYS 45 2HE LYS 45 -10.082 -6.854 -2.305 348 HE3 LYS 45 3HE LYS 45 -10.315 -8.573 -1.978 349 HZ1 LYS 45 3HZ LYS 45 -11.439 -6.346 -0.358 350 HZ2 LYS 45 1HZ LYS 45 -11.682 -7.992 -0.084 351 HZ3 LYS 45 2HZ LYS 45 -12.295 -7.276 -1.480 352 H ASP 46 H ASP 46 -7.337 -7.378 -5.477 353 HA ASP 46 HA ASP 46 -7.828 -10.177 -5.652 354 HB2 ASP 46 2HB ASP 46 -9.203 -8.405 -6.782 355 HB3 ASP 46 3HB ASP 46 -7.865 -8.067 -7.864 356 H TYR 47 H TYR 47 -5.392 -8.020 -7.114 357 HA TYR 47 HA TYR 47 -4.197 -9.922 -8.861 358 HB2 TYR 47 2HB TYR 47 -3.084 -7.321 -7.735 359 HB3 TYR 47 3HB TYR 47 -2.307 -8.256 -9.003 360 HD1 TYR 47 HD1 TYR 47 -3.256 -8.284 -11.313 361 HD2 TYR 47 HD2 TYR 47 -5.085 -6.004 -8.206 362 HE1 TYR 47 HE1 TYR 47 -4.549 -7.013 -12.994 363 HE2 TYR 47 HE2 TYR 47 -6.367 -4.744 -9.866 364 HH TYR 47 HH TYR 47 -6.259 -4.142 -12.210 365 H ILE 48 H ILE 48 -3.384 -8.847 -5.564 366 HA ILE 48 HA ILE 48 -0.963 -10.437 -5.406 367 HB ILE 48 HB ILE 48 -2.382 -9.044 -3.082 368 HG12 ILE 48 2HG1 ILE 48 -0.203 -7.898 -4.902 369 HG13 ILE 48 3HG1 ILE 48 -1.889 -7.395 -4.887 370 HG21 ILE 48 1HG2 ILE 48 0.534 -9.890 -3.395 371 HG22 ILE 48 2HG2 ILE 48 -0.669 -10.693 -2.385 372 HG23 ILE 48 3HG2 ILE 48 -0.152 -9.053 -1.998 373 HD11 ILE 48 3HD1 ILE 48 -0.491 -5.808 -3.706 374 HD12 ILE 48 1HD1 ILE 48 0.064 -7.068 -2.603 375 HD13 ILE 48 2HD1 ILE 48 -1.631 -6.570 -2.600 376 H LYS 49 H LYS 49 -4.370 -10.905 -4.624 377 HA LYS 49 HA LYS 49 -4.071 -13.319 -3.098 378 HB2 LYS 49 2HB LYS 49 -6.198 -12.034 -3.157 379 HB3 LYS 49 3HB LYS 49 -6.397 -12.424 -4.862 380 HG2 LYS 49 2HG LYS 49 -6.608 -14.824 -4.300 381 HG3 LYS 49 3HG LYS 49 -6.366 -14.453 -2.591 382 HD2 LYS 49 2HD LYS 49 -8.700 -13.551 -4.323 383 HD3 LYS 49 3HD LYS 49 -8.745 -14.798 -3.073 384 HE2 LYS 49 2HE LYS 49 -8.240 -11.832 -2.641 385 HE3 LYS 49 3HE LYS 49 -9.700 -12.724 -2.217 386 HZ1 LYS 49 3HZ LYS 49 -7.002 -13.160 -1.039 387 HZ2 LYS 49 1HZ LYS 49 -8.401 -14.024 -0.641 388 HZ3 LYS 49 2HZ LYS 49 -8.298 -12.375 -0.288 389 H LYS 50 H LYS 50 -4.434 -12.562 -6.504 390 HA LYS 50 HA LYS 50 -4.590 -15.189 -7.556 391 HB2 LYS 50 2HB LYS 50 -5.351 -13.131 -8.728 392 HB3 LYS 50 3HB LYS 50 -3.679 -12.594 -8.873 393 HG2 LYS 50 2HG LYS 50 -3.196 -14.598 -10.279 394 HG3 LYS 50 3HG LYS 50 -4.900 -15.053 -10.177 395 HD2 LYS 50 2HD LYS 50 -3.814 -12.488 -11.402 396 HD3 LYS 50 3HD LYS 50 -4.369 -13.899 -12.303 397 HE2 LYS 50 2HE LYS 50 -6.655 -13.566 -11.376 398 HE3 LYS 50 3HE LYS 50 -6.083 -12.131 -10.516 399 HZ1 LYS 50 3HZ LYS 50 -5.574 -11.085 -12.610 400 HZ2 LYS 50 1HZ LYS 50 -7.187 -11.588 -12.622 401 HZ3 LYS 50 2HZ LYS 50 -6.021 -12.469 -13.472 402 H GLN 51 H GLN 51 -1.892 -12.935 -7.057 403 HA GLN 51 HA GLN 51 0.038 -15.162 -7.337 404 HB2 GLN 51 2HB GLN 51 0.408 -12.232 -8.123 405 HB3 GLN 51 3HB GLN 51 1.739 -13.377 -7.982 406 HG2 GLN 51 2HG GLN 51 -0.602 -13.665 -9.890 407 HG3 GLN 51 3HG GLN 51 0.986 -13.037 -10.325 408 HE21 GLN 51 1HE2 GLN 51 -0.515 -15.415 -11.279 409 HE22 GLN 51 2HE2 GLN 51 0.568 -16.744 -11.076 410 H GLY 52 H GLY 52 -0.753 -15.380 -5.090 411 HA2 GLY 52 2HA GLY 52 0.150 -13.604 -3.033 412 HA3 GLY 52 3HA GLY 52 -0.437 -15.248 -2.831 413 H CYS 53 H CYS 53 2.353 -13.330 -3.791 414 HA CYS 53 HA CYS 53 4.259 -15.420 -3.791 415 HB2 CYS 53 2HB CYS 53 4.406 -12.417 -3.858 416 HB3 CYS 53 3HB CYS 53 5.879 -13.316 -3.494 417 H LYS 54 H LYS 54 6.038 -15.696 -2.355 418 HA LYS 54 HA LYS 54 5.171 -16.168 0.326 419 HB2 LYS 54 2HB LYS 54 7.907 -16.508 -0.982 420 HB3 LYS 54 3HB LYS 54 7.548 -17.003 0.667 421 HG2 LYS 54 2HG LYS 54 7.424 -18.979 -0.629 422 HG3 LYS 54 3HG LYS 54 5.754 -18.534 -0.286 423 HD2 LYS 54 2HD LYS 54 5.658 -17.493 -2.607 424 HD3 LYS 54 3HD LYS 54 7.260 -18.169 -2.909 425 HE2 LYS 54 2HE LYS 54 4.724 -19.736 -2.307 426 HE3 LYS 54 3HE LYS 54 5.539 -19.617 -3.867 427 HZ1 LYS 54 3HZ LYS 54 6.033 -21.701 -2.729 428 HZ2 LYS 54 1HZ LYS 54 6.695 -20.858 -1.421 429 HZ3 LYS 54 2HZ LYS 54 7.433 -20.783 -2.941 430 H ARG 55 H ARG 55 7.120 -13.720 -1.241 431 HA ARG 55 HA ARG 55 6.926 -12.067 1.189 432 HB2 ARG 55 2HB ARG 55 9.326 -13.075 0.778 433 HB3 ARG 55 3HB ARG 55 9.423 -11.937 -0.559 434 HG2 ARG 55 2HG ARG 55 10.496 -10.983 1.406 435 HG3 ARG 55 3HG ARG 55 9.029 -10.062 1.043 436 HD2 ARG 55 2HD ARG 55 7.810 -11.380 2.776 437 HD3 ARG 55 3HD ARG 55 9.315 -12.224 3.163 438 HE ARG 55 HE ARG 55 9.792 -9.497 3.402 439 HH11 ARG 55 1HH1 ARG 55 7.853 -11.970 4.996 440 HH12 ARG 55 2HH1 ARG 55 7.857 -11.146 6.524 441 HH21 ARG 55 1HH2 ARG 55 9.749 -8.413 5.387 442 HH22 ARG 55 2HH2 ARG 55 8.932 -9.125 6.745 443 H SER 56 H SER 56 5.963 -10.141 0.701 444 HA SER 56 HA SER 56 6.132 -9.041 -2.033 445 HB2 SER 56 2HB SER 56 3.543 -9.506 -0.483 446 HB3 SER 56 3HB SER 56 3.659 -8.558 -1.968 447 HG SER 56 HG SER 56 4.010 -10.347 -3.111 448 H ARG 57 H ARG 57 6.994 -7.077 -1.791 449 HA ARG 57 HA ARG 57 6.491 -5.415 0.576 450 HB2 ARG 57 2HB ARG 57 8.830 -5.598 -0.227 451 HB3 ARG 57 3HB ARG 57 8.354 -5.009 -1.815 452 HG2 ARG 57 2HG ARG 57 7.733 -2.829 -0.815 453 HG3 ARG 57 3HG ARG 57 8.212 -3.421 0.774 454 HD2 ARG 57 2HD ARG 57 10.538 -3.510 0.114 455 HD3 ARG 57 3HD ARG 57 10.125 -3.196 -1.581 456 HE ARG 57 HE ARG 57 9.132 -1.114 0.034 457 HH11 ARG 57 1HH1 ARG 57 12.264 -2.245 -1.122 458 HH12 ARG 57 2HH1 ARG 57 12.968 -0.660 -1.076 459 HH21 ARG 57 1HH2 ARG 57 10.030 0.932 -0.012 460 HH22 ARG 57 2HH2 ARG 57 11.696 1.143 -0.446 461 H THR 58 H THR 58 5.281 -3.550 0.503 462 HA THR 58 HA THR 58 4.666 -2.292 -2.085 463 HB THR 58 HB THR 58 2.569 -2.674 0.109 464 HG1 THR 58 HG1 THR 58 2.897 -4.629 -1.008 465 HG21 THR 58 3HG2 THR 58 0.993 -1.762 -1.568 466 HG22 THR 58 1HG2 THR 58 2.330 -1.493 -2.688 467 HG23 THR 58 2HG2 THR 58 2.249 -0.588 -1.173 468 H SER 59 H SER 59 5.399 -0.258 -1.990 469 HA SER 59 HA SER 59 5.546 1.201 0.583 470 HB2 SER 59 2HB SER 59 7.370 1.379 -1.855 471 HB3 SER 59 3HB SER 59 7.458 2.462 -0.455 472 HG SER 59 HG SER 59 7.727 0.507 0.816 473 H ILE 60 H ILE 60 4.460 3.091 0.698 474 HA ILE 60 HA ILE 60 3.270 4.220 -1.777 475 HB ILE 60 HB ILE 60 2.146 4.062 1.050 476 HG12 ILE 60 2HG1 ILE 60 1.122 3.119 -1.667 477 HG13 ILE 60 3HG1 ILE 60 1.629 2.115 -0.313 478 HG21 ILE 60 1HG2 ILE 60 1.082 5.806 -1.189 479 HG22 ILE 60 2HG2 ILE 60 1.793 6.368 0.323 480 HG23 ILE 60 3HG2 ILE 60 0.264 5.496 0.342 481 HD11 ILE 60 3HD1 ILE 60 -0.759 2.092 -0.499 482 HD12 ILE 60 1HD1 ILE 60 -0.839 3.853 -0.440 483 HD13 ILE 60 2HD1 ILE 60 -0.313 2.941 0.979 484 H THR 61 H THR 61 3.727 6.272 -2.267 485 HA THR 61 HA THR 61 5.716 7.781 -0.961 486 HB THR 61 HB THR 61 3.656 8.738 -2.991 487 HG1 THR 61 HG1 THR 61 5.816 7.037 -3.166 488 HG21 THR 61 3HG2 THR 61 6.450 9.802 -2.407 489 HG22 THR 61 1HG2 THR 61 4.934 10.605 -1.964 490 HG23 THR 61 2HG2 THR 61 5.353 10.380 -3.660 491 H ALA 62 H ALA 62 5.423 8.557 0.982 492 HA ALA 62 HA ALA 62 2.877 9.766 1.842 493 HB1 ALA 62 3HB ALA 62 3.758 7.918 3.202 494 HB2 ALA 62 1HB ALA 62 3.746 9.432 4.112 495 HB3 ALA 62 2HB ALA 62 5.262 8.808 3.453 496 H ARG 63 H ARG 63 3.133 11.776 0.816 497 HA ARG 63 HA ARG 63 5.523 13.310 0.799 498 HB2 ARG 63 2HB ARG 63 2.656 14.236 0.323 499 HB3 ARG 63 3HB ARG 63 4.083 15.224 0.035 500 HG2 ARG 63 2HG ARG 63 3.598 14.453 -2.106 501 HG3 ARG 63 3HG ARG 63 4.820 13.297 -1.581 502 HD2 ARG 63 2HD ARG 63 3.021 12.101 -2.678 503 HD3 ARG 63 3HD ARG 63 2.980 11.718 -0.953 504 HE ARG 63 HE ARG 63 1.235 13.812 -2.094 505 HH11 ARG 63 1HH1 ARG 63 1.503 10.722 -0.413 506 HH12 ARG 63 2HH1 ARG 63 -0.180 10.685 0.006 507 HH21 ARG 63 1HH2 ARG 63 -0.960 13.727 -1.528 508 HH22 ARG 63 2HH2 ARG 63 -1.569 12.376 -0.621 509 H THR 64 H THR 64 2.907 13.041 3.042 510 HA THR 64 HA THR 64 4.384 14.695 4.994 511 HB THR 64 HB THR 64 2.255 15.336 6.053 512 HG1 THR 64 HG1 THR 64 0.432 14.667 4.223 513 HG21 THR 64 3HG2 THR 64 1.275 16.801 4.318 514 HG22 THR 64 1HG2 THR 64 2.140 15.907 3.064 515 HG23 THR 64 2HG2 THR 64 3.039 16.851 4.260 516 H LYS 65 H LYS 65 4.083 13.908 7.230 517 HA LYS 65 HA LYS 65 4.278 11.122 7.609 518 HB2 LYS 65 2HB LYS 65 4.221 11.579 10.011 519 HB3 LYS 65 3HB LYS 65 5.220 12.784 9.205 520 HG2 LYS 65 2HG LYS 65 3.444 14.450 9.386 521 HG3 LYS 65 3HG LYS 65 2.336 13.249 10.046 522 HD2 LYS 65 2HD LYS 65 3.204 14.675 11.836 523 HD3 LYS 65 3HD LYS 65 3.767 13.018 12.051 524 HE2 LYS 65 2HE LYS 65 5.956 13.669 11.056 525 HE3 LYS 65 3HE LYS 65 5.379 15.332 10.918 526 HZ1 LYS 65 3HZ LYS 65 6.738 14.974 12.902 527 HZ2 LYS 65 1HZ LYS 65 5.643 13.817 13.465 528 HZ3 LYS 65 2HZ LYS 65 5.165 15.431 13.313 529 H LYS 66 H LYS 66 1.549 13.226 7.394 530 HA LYS 66 HA LYS 66 -0.473 11.773 8.698 531 HB2 LYS 66 2HB LYS 66 -0.613 13.683 6.315 532 HB3 LYS 66 3HB LYS 66 -2.043 12.977 7.052 533 HG2 LYS 66 2HG LYS 66 -1.847 15.161 7.946 534 HG3 LYS 66 3HG LYS 66 -1.363 14.053 9.232 535 HD2 LYS 66 2HD LYS 66 1.026 14.548 8.738 536 HD3 LYS 66 3HD LYS 66 0.524 15.651 7.452 537 HE2 LYS 66 2HE LYS 66 -0.022 15.971 10.422 538 HE3 LYS 66 3HE LYS 66 1.088 16.930 9.442 539 HZ1 LYS 66 3HZ LYS 66 -0.946 18.123 9.770 540 HZ2 LYS 66 1HZ LYS 66 -1.868 16.839 9.176 541 HZ3 LYS 66 2HZ LYS 66 -0.836 17.690 8.143 542 H GLU 67 H GLU 67 0.600 11.819 5.301 543 HA GLU 67 HA GLU 67 -1.149 9.868 4.285 544 HB2 GLU 67 2HB GLU 67 1.666 10.268 3.188 545 HB3 GLU 67 3HB GLU 67 0.217 9.799 2.310 546 HG2 GLU 67 2HG GLU 67 0.857 12.532 3.440 547 HG3 GLU 67 3HG GLU 67 0.899 12.066 1.747 548 H ALA 68 H ALA 68 2.113 9.624 5.659 549 HA ALA 68 HA ALA 68 2.685 6.931 5.223 550 HB1 ALA 68 3HB ALA 68 4.318 8.595 6.011 551 HB2 ALA 68 1HB ALA 68 4.319 7.168 7.047 552 HB3 ALA 68 2HB ALA 68 3.521 8.650 7.583 553 H GLU 69 H GLU 69 0.926 8.408 7.943 554 HA GLU 69 HA GLU 69 0.694 5.998 9.474 555 HB2 GLU 69 2HB GLU 69 -0.743 8.672 9.703 556 HB3 GLU 69 3HB GLU 69 -0.898 7.367 10.877 557 HG2 GLU 69 2HG GLU 69 1.627 8.910 10.207 558 HG3 GLU 69 3HG GLU 69 0.673 9.039 11.683 559 H LYS 70 H LYS 70 -1.671 7.869 7.531 560 HA LYS 70 HA LYS 70 -3.844 6.115 8.181 561 HB2 LYS 70 2HB LYS 70 -5.187 7.519 6.672 562 HB3 LYS 70 3HB LYS 70 -4.212 8.493 7.765 563 HG2 LYS 70 2HG LYS 70 -2.547 8.781 5.874 564 HG3 LYS 70 3HG LYS 70 -3.741 8.037 4.813 565 HD2 LYS 70 2HD LYS 70 -5.354 9.835 5.292 566 HD3 LYS 70 3HD LYS 70 -4.240 10.556 6.462 567 HE2 LYS 70 2HE LYS 70 -2.602 10.903 4.619 568 HE3 LYS 70 3HE LYS 70 -3.791 10.280 3.479 569 HZ1 LYS 70 3HZ LYS 70 -3.624 12.724 3.608 570 HZ2 LYS 70 1HZ LYS 70 -4.241 12.658 5.185 571 HZ3 LYS 70 2HZ LYS 70 -5.185 12.125 3.883 572 H PHE 71 H PHE 71 -1.549 6.249 5.514 573 HA PHE 71 HA PHE 71 -3.051 4.361 3.878 574 HB2 PHE 71 2HB PHE 71 -0.320 5.551 3.433 575 HB3 PHE 71 3HB PHE 71 -1.187 4.528 2.286 576 HD1 PHE 71 HD1 PHE 71 -3.899 6.307 3.365 577 HD2 PHE 71 HD2 PHE 71 -0.237 6.958 1.434 578 HE1 PHE 71 HE1 PHE 71 -4.831 8.305 2.281 579 HE2 PHE 71 HE2 PHE 71 -1.124 8.978 0.358 580 HZ PHE 71 HZ PHE 71 -3.437 9.645 0.770 581 H ALA 72 H ALA 72 -0.523 4.238 6.261 582 HA ALA 72 HA ALA 72 0.438 1.621 5.881 583 HB1 ALA 72 3HB ALA 72 -0.104 3.089 8.492 584 HB2 ALA 72 1HB ALA 72 1.394 3.141 7.560 585 HB3 ALA 72 2HB ALA 72 0.884 1.633 8.324 586 H ALA 73 H ALA 73 -2.450 2.872 7.548 587 HA ALA 73 HA ALA 73 -3.549 0.411 8.396 588 HB1 ALA 73 3HB ALA 73 -4.212 2.569 9.365 589 HB2 ALA 73 1HB ALA 73 -5.626 1.697 8.768 590 HB3 ALA 73 2HB ALA 73 -4.961 3.047 7.841 591 H ILE 74 H ILE 74 -3.741 2.124 5.307 592 HA ILE 74 HA ILE 74 -5.872 0.635 4.122 593 HB ILE 74 HB ILE 74 -3.592 2.184 2.752 594 HG12 ILE 74 2HG1 ILE 74 -6.483 3.008 3.346 595 HG13 ILE 74 3HG1 ILE 74 -5.046 3.631 4.152 596 HG21 ILE 74 1HG2 ILE 74 -4.571 0.511 1.216 597 HG22 ILE 74 2HG2 ILE 74 -5.031 2.139 0.723 598 HG23 ILE 74 3HG2 ILE 74 -6.195 1.109 1.565 599 HD11 ILE 74 3HD1 ILE 74 -4.276 4.618 2.025 600 HD12 ILE 74 1HD1 ILE 74 -5.869 5.211 2.517 601 HD13 ILE 74 2HD1 ILE 74 -5.747 4.012 1.235 602 H LEU 75 H LEU 75 -2.318 0.348 3.885 603 HA LEU 75 HA LEU 75 -2.244 -1.915 2.197 604 HB2 LEU 75 2HB LEU 75 -0.170 -0.811 4.123 605 HB3 LEU 75 3HB LEU 75 0.162 -2.075 2.946 606 HG LEU 75 HG LEU 75 -0.652 0.789 2.302 607 HD11 LEU 75 1HD1 LEU 75 1.647 0.651 3.120 608 HD12 LEU 75 2HD1 LEU 75 1.615 1.044 1.404 609 HD13 LEU 75 3HD1 LEU 75 2.022 -0.595 1.924 610 HD21 LEU 75 3HD2 LEU 75 -1.567 -0.726 0.646 611 HD22 LEU 75 1HD2 LEU 75 0.006 -1.498 0.425 612 HD23 LEU 75 2HD2 LEU 75 -0.232 0.187 -0.046 613 H ILE 76 H ILE 76 -2.159 -1.635 5.743 614 HA ILE 76 HA ILE 76 -1.759 -4.369 6.366 615 HB ILE 76 HB ILE 76 -2.666 -1.936 7.889 616 HG12 ILE 76 2HG1 ILE 76 -0.902 -2.611 9.481 617 HG13 ILE 76 3HG1 ILE 76 -0.697 -4.142 8.646 618 HG21 ILE 76 1HG2 ILE 76 -3.284 -3.172 9.944 619 HG22 ILE 76 2HG2 ILE 76 -3.214 -4.690 9.047 620 HG23 ILE 76 3HG2 ILE 76 -4.424 -3.476 8.629 621 HD11 ILE 76 3HD1 ILE 76 1.094 -2.621 8.134 622 HD12 ILE 76 1HD1 ILE 76 -0.052 -1.414 7.557 623 HD13 ILE 76 2HD1 ILE 76 0.144 -2.936 6.684 624 H LYS 77 H LYS 77 -4.651 -2.461 5.677 625 HA LYS 77 HA LYS 77 -6.616 -4.343 6.453 626 HB2 LYS 77 2HB LYS 77 -6.981 -1.887 6.102 627 HB3 LYS 77 3HB LYS 77 -6.838 -2.131 4.371 628 HG2 LYS 77 2HG LYS 77 -8.882 -3.387 4.278 629 HG3 LYS 77 3HG LYS 77 -8.958 -3.527 6.036 630 HD2 LYS 77 2HD LYS 77 -9.261 -0.947 4.440 631 HD3 LYS 77 3HD LYS 77 -10.572 -1.850 5.204 632 HE2 LYS 77 2HE LYS 77 -9.495 -1.450 7.428 633 HE3 LYS 77 3HE LYS 77 -8.266 -0.469 6.630 634 HZ1 LYS 77 3HZ LYS 77 -9.970 0.914 7.582 635 HZ2 LYS 77 1HZ LYS 77 -11.179 0.103 6.722 636 HZ3 LYS 77 2HZ LYS 77 -10.035 1.029 5.895 637 H VAL 78 H VAL 78 -5.135 -3.610 3.312 638 HA VAL 78 HA VAL 78 -6.614 -5.442 1.728 639 HB VAL 78 HB VAL 78 -3.961 -4.001 1.284 640 HG11 VAL 78 1HG1 VAL 78 -5.477 -5.641 -0.780 641 HG12 VAL 78 2HG1 VAL 78 -3.892 -6.027 -0.110 642 HG13 VAL 78 3HG1 VAL 78 -4.098 -4.592 -1.114 643 HG21 VAL 78 3HG2 VAL 78 -6.770 -3.522 0.208 644 HG22 VAL 78 1HG2 VAL 78 -5.341 -2.598 -0.258 645 HG23 VAL 78 2HG2 VAL 78 -5.920 -2.541 1.406 646 H TYR 79 H TYR 79 -3.343 -5.651 3.172 647 HA TYR 79 HA TYR 79 -2.832 -8.313 2.270 648 HB2 TYR 79 2HB TYR 79 -1.421 -6.400 4.123 649 HB3 TYR 79 3HB TYR 79 -0.953 -8.093 4.166 650 HD1 TYR 79 HD1 TYR 79 0.021 -9.180 2.138 651 HD2 TYR 79 HD2 TYR 79 -0.734 -4.969 2.235 652 HE1 TYR 79 HE1 TYR 79 1.508 -8.871 0.213 653 HE2 TYR 79 HE2 TYR 79 0.758 -4.663 0.296 654 HH TYR 79 HH TYR 79 1.835 -7.231 -1.618 655 H ALA 80 H ALA 80 -4.559 -7.096 5.051 656 HA ALA 80 HA ALA 80 -4.387 -9.428 6.704 657 HB1 ALA 80 3HB ALA 80 -5.069 -7.253 7.622 658 HB2 ALA 80 1HB ALA 80 -6.303 -8.476 7.925 659 HB3 ALA 80 2HB ALA 80 -6.537 -7.282 6.644 660 H GLU 81 H GLU 81 -6.487 -8.410 4.076 661 HA GLU 81 HA GLU 81 -8.396 -10.552 4.245 662 HB2 GLU 81 2HB GLU 81 -7.704 -8.722 1.912 663 HB3 GLU 81 3HB GLU 81 -9.159 -9.703 2.055 664 HG2 GLU 81 2HG GLU 81 -8.429 -7.427 3.922 665 HG3 GLU 81 3HG GLU 81 -9.487 -7.269 2.524 666 H LEU 82 H LEU 82 -5.194 -10.398 3.186 667 HA LEU 82 HA LEU 82 -5.381 -12.693 1.337 668 HB2 LEU 82 2HB LEU 82 -3.008 -10.875 1.941 669 HB3 LEU 82 3HB LEU 82 -3.118 -12.058 0.641 670 HG LEU 82 HG LEU 82 -4.829 -9.546 0.853 671 HD11 LEU 82 1HD1 LEU 82 -2.459 -10.045 -0.961 672 HD12 LEU 82 2HD1 LEU 82 -2.500 -8.959 0.429 673 HD13 LEU 82 3HD1 LEU 82 -3.510 -8.625 -0.976 674 HD21 LEU 82 3HD2 LEU 82 -4.606 -11.551 -1.411 675 HD22 LEU 82 1HD2 LEU 82 -5.528 -10.044 -1.445 676 HD23 LEU 82 2HD2 LEU 82 -5.990 -11.331 -0.335 677 H GLY 83 H GLY 83 -4.286 -11.685 4.478 678 HA2 GLY 83 2HA GLY 83 -3.617 -14.420 5.260 679 HA3 GLY 83 3HA GLY 83 -2.318 -13.229 5.372 680 H TYR 84 H TYR 84 -4.487 -14.744 7.207 681 HA TYR 84 HA TYR 84 -5.986 -12.743 8.542 682 HB2 TYR 84 2HB TYR 84 -5.317 -15.604 9.338 683 HB3 TYR 84 3HB TYR 84 -6.467 -14.594 10.211 684 HD1 TYR 84 HD2 TYR 84 -5.799 -16.012 6.797 685 HD2 TYR 84 HD1 TYR 84 -8.755 -14.587 9.536 686 HE1 TYR 84 HE2 TYR 84 -7.565 -16.734 5.276 687 HE2 TYR 84 HE1 TYR 84 -10.528 -15.332 8.003 688 HH TYR 84 HH TYR 84 -9.981 -17.441 5.453 689 H ASN 85 H ASN 85 -2.706 -13.520 8.815 690 HA ASN 85 HA ASN 85 -2.119 -13.007 11.537 691 HB2 ASN 85 2HB ASN 85 -0.378 -12.572 9.071 692 HB3 ASN 85 3HB ASN 85 0.206 -12.614 10.732 693 HD21 ASN 85 1HD2 ASN 85 0.999 -14.273 8.501 694 HD22 ASN 85 2HD2 ASN 85 0.693 -15.906 8.972 695 H ASP 86 H ASP 86 -1.230 -11.083 12.506 696 HA ASP 86 HA ASP 86 -2.041 -8.492 11.596 697 HB2 ASP 86 2HB ASP 86 0.174 -9.232 13.575 698 HB3 ASP 86 3HB ASP 86 -0.475 -7.609 13.344 699 H ILE 87 H ILE 87 -0.956 -7.093 10.252 700 HA ILE 87 HA ILE 87 1.109 -8.331 8.572 701 HB ILE 87 HB ILE 87 -0.503 -5.779 8.104 702 HG12 ILE 87 2HG1 ILE 87 -2.052 -7.672 8.291 703 HG13 ILE 87 3HG1 ILE 87 -1.957 -7.172 6.607 704 HG21 ILE 87 1HG2 ILE 87 0.099 -6.032 5.727 705 HG22 ILE 87 2HG2 ILE 87 1.081 -7.447 6.116 706 HG23 ILE 87 3HG2 ILE 87 1.539 -5.859 6.736 707 HD11 ILE 87 3HD1 ILE 87 -2.019 -9.569 6.780 708 HD12 ILE 87 1HD1 ILE 87 -0.614 -9.575 7.846 709 HD13 ILE 87 2HD1 ILE 87 -0.446 -9.071 6.160 710 H ASN 88 H ASN 88 3.044 -7.169 7.936 711 HA ASN 88 HA ASN 88 4.215 -5.693 10.181 712 HB2 ASN 88 2HB ASN 88 5.488 -7.573 9.226 713 HB3 ASN 88 3HB ASN 88 5.467 -6.819 7.635 714 HD21 ASN 88 1HD2 ASN 88 7.675 -6.630 7.419 715 HD22 ASN 88 2HD2 ASN 88 8.658 -5.611 8.416 716 H VAL 89 H VAL 89 4.690 -3.589 10.148 717 HA VAL 89 HA VAL 89 4.674 -2.042 7.642 718 HB VAL 89 HB VAL 89 2.473 -1.712 8.691 719 HG11 VAL 89 1HG1 VAL 89 3.922 -0.703 11.161 720 HG12 VAL 89 2HG1 VAL 89 2.994 -2.201 11.031 721 HG13 VAL 89 3HG1 VAL 89 2.176 -0.643 10.886 722 HG21 VAL 89 3HG2 VAL 89 4.222 0.760 8.944 723 HG22 VAL 89 1HG2 VAL 89 2.461 0.752 8.801 724 HG23 VAL 89 2HG2 VAL 89 3.457 0.167 7.467 725 H THR 90 H THR 90 6.141 -0.427 7.575 726 HA THR 90 HA THR 90 7.650 0.457 9.900 727 HB THR 90 HB THR 90 9.027 -1.424 9.122 728 HG1 THR 90 HG1 THR 90 10.964 -0.271 8.778 729 HG21 THR 90 3HG2 THR 90 9.158 -0.083 6.402 730 HG22 THR 90 1HG2 THR 90 8.278 -1.573 6.772 731 HG23 THR 90 2HG2 THR 90 10.037 -1.532 6.894 732 H TRP 91 H TRP 91 8.596 2.541 9.536 733 HA TRP 91 HA TRP 91 7.572 3.971 7.138 734 HB2 TRP 91 2HB TRP 91 7.766 4.958 10.021 735 HB3 TRP 91 3HB TRP 91 7.361 5.983 8.651 736 HD1 TRP 91 HD1 TRP 91 4.906 5.747 7.621 737 HE1 TRP 91 HE1 TRP 91 2.729 4.766 8.552 738 HE3 TRP 91 HE3 TRP 91 6.814 3.000 11.490 739 HZ2 TRP 91 HZ2 TRP 91 1.900 3.069 10.620 740 HZ3 TRP 91 HZ3 TRP 91 5.250 1.719 12.900 741 HH2 TRP 91 HH2 TRP 91 2.842 1.752 12.474 742 H ASP 92 H ASP 92 9.251 4.544 5.869 743 HA ASP 92 HA ASP 92 11.956 4.910 6.674 744 HB2 ASP 92 2HB ASP 92 11.355 4.404 4.335 745 HB3 ASP 92 3HB ASP 92 10.475 5.920 4.201 746 H GLY 93 H GLY 93 9.297 7.127 6.027 747 HA2 GLY 93 2HA GLY 93 9.445 9.093 7.786 748 HA3 GLY 93 3HA GLY 93 10.813 9.529 6.757 749 H ASP 94 H ASP 94 10.349 9.589 4.390 750 HA ASP 94 HA ASP 94 7.817 10.961 3.829 751 HB2 ASP 94 2HB ASP 94 8.824 11.733 1.791 752 HB3 ASP 94 3HB ASP 94 10.060 11.876 3.035 753 H THR 95 H THR 95 8.666 7.800 3.926 754 HA THR 95 HA THR 95 6.569 7.029 2.020 755 HB THR 95 HB THR 95 9.293 5.631 2.020 756 HG1 THR 95 HG1 THR 95 9.410 7.740 1.057 757 HG21 THR 95 3HG2 THR 95 8.479 4.502 -0.013 758 HG22 THR 95 1HG2 THR 95 6.933 5.337 0.124 759 HG23 THR 95 2HG2 THR 95 7.411 4.162 1.352 760 H VAL 96 H VAL 96 5.471 5.125 2.646 761 HA VAL 96 HA VAL 96 6.295 3.803 5.177 762 HB VAL 96 HB VAL 96 4.132 4.905 5.464 763 HG11 VAL 96 1HG1 VAL 96 2.122 4.358 4.148 764 HG12 VAL 96 2HG1 VAL 96 3.089 3.332 3.082 765 HG13 VAL 96 3HG1 VAL 96 3.380 5.072 3.134 766 HG21 VAL 96 3HG2 VAL 96 2.731 2.980 6.155 767 HG22 VAL 96 1HG2 VAL 96 4.421 2.767 6.620 768 HG23 VAL 96 2HG2 VAL 96 3.771 1.893 5.229 769 H THR 97 H THR 97 6.949 1.722 4.984 770 HA THR 97 HA THR 97 6.299 0.162 2.550 771 HB THR 97 HB THR 97 8.640 -0.080 4.495 772 HG1 THR 97 HG1 THR 97 9.686 0.964 2.978 773 HG21 THR 97 3HG2 THR 97 7.975 -2.365 3.802 774 HG22 THR 97 1HG2 THR 97 9.508 -1.906 3.053 775 HG23 THR 97 2HG2 THR 97 8.020 -1.882 2.106 776 H VAL 98 H VAL 98 5.244 -1.709 2.732 777 HA VAL 98 HA VAL 98 4.765 -2.981 5.349 778 HB VAL 98 HB VAL 98 2.690 -2.302 3.204 779 HG11 VAL 98 1HG1 VAL 98 2.310 -4.649 3.828 780 HG12 VAL 98 2HG1 VAL 98 1.026 -3.625 4.469 781 HG13 VAL 98 3HG1 VAL 98 2.302 -4.212 5.538 782 HG21 VAL 98 3HG2 VAL 98 3.098 -0.546 4.890 783 HG22 VAL 98 1HG2 VAL 98 2.778 -1.698 6.191 784 HG23 VAL 98 2HG2 VAL 98 1.483 -1.229 5.087 785 H GLU 99 H GLU 99 5.621 -4.957 5.248 786 HA GLU 99 HA GLU 99 5.565 -6.559 2.785 787 HB2 GLU 99 2HB GLU 99 7.669 -5.191 2.696 788 HB3 GLU 99 3HB GLU 99 8.161 -5.865 4.249 789 HG2 GLU 99 2HG GLU 99 8.142 -8.148 3.187 790 HG3 GLU 99 3HG GLU 99 7.817 -7.376 1.635 791 H GLY 100 H GLY 100 4.801 -8.488 3.424 792 HA2 GLY 100 2HA GLY 100 4.657 -10.513 4.515 793 HA3 GLY 100 3HA GLY 100 6.016 -10.040 5.522 794 H GLN 101 H GLN 101 5.111 -10.779 7.461 795 HA GLN 101 HA GLN 101 2.739 -9.323 8.470 796 HB2 GLN 101 2HB GLN 101 1.806 -11.272 9.472 797 HB3 GLN 101 3HB GLN 101 2.158 -11.695 7.808 798 HG2 GLN 101 2HG GLN 101 4.008 -12.468 10.085 799 HG3 GLN 101 3HG GLN 101 2.624 -13.448 9.626 800 HE21 GLN 101 1HE2 GLN 101 3.867 -15.218 9.087 801 HE22 GLN 101 2HE2 GLN 101 4.892 -15.274 7.695 802 H LEU 102 H LEU 102 2.812 -8.689 10.588 803 HA LEU 102 HA LEU 102 5.370 -8.781 11.978 804 HB2 LEU 102 2HB LEU 102 4.080 -6.649 11.771 805 HB3 LEU 102 3HB LEU 102 2.775 -7.358 12.704 806 HG LEU 102 HG LEU 102 4.358 -7.576 14.662 807 HD11 LEU 102 1HD1 LEU 102 6.263 -5.978 12.929 808 HD12 LEU 102 2HD1 LEU 102 6.478 -7.645 13.472 809 HD13 LEU 102 3HD1 LEU 102 6.475 -6.335 14.648 810 HD21 LEU 102 3HD2 LEU 102 2.807 -5.690 14.531 811 HD22 LEU 102 1HD2 LEU 102 3.988 -4.756 13.606 812 HD23 LEU 102 2HD2 LEU 102 4.324 -5.204 15.282 813 H GLU 103 H GLU 103 5.721 -10.560 13.143 814 HA GLU 103 HA GLU 103 3.831 -11.374 15.237 815 HB2 GLU 103 2HB GLU 103 3.397 -12.989 13.444 816 HB3 GLU 103 3HB GLU 103 5.116 -13.290 13.232 817 HG2 GLU 103 2HG GLU 103 4.137 -15.169 14.385 818 HG3 GLU 103 3HG GLU 103 5.190 -14.319 15.507 819 H GLY 104 H GLY 104 4.869 -12.060 17.102 820 HA2 GLY 104 2HA GLY 104 7.238 -13.001 17.790 821 HA3 GLY 104 3HA GLY 104 7.715 -11.365 17.336 822 H VAL 105 H VAL 105 8.352 -10.883 19.464 823 HA VAL 105 HA VAL 105 8.205 -9.966 21.505 824 HB VAL 105 HB VAL 105 5.222 -9.531 20.991 825 HG11 VAL 105 1HG1 VAL 105 7.128 -8.031 22.830 826 HG12 VAL 105 2HG1 VAL 105 5.881 -9.173 23.341 827 HG13 VAL 105 3HG1 VAL 105 5.421 -7.653 22.573 828 HG21 VAL 105 3HG2 VAL 105 5.808 -7.295 20.099 829 HG22 VAL 105 1HG2 VAL 105 6.517 -8.578 19.114 830 HG23 VAL 105 2HG2 VAL 105 7.526 -7.674 20.246 831 H ASP 106 H ASP 106 8.719 -11.772 22.713 832 HA ASP 106 HA ASP 106 6.498 -13.219 24.043 833 HB2 ASP 106 2HB ASP 106 7.555 -14.723 22.371 834 HB3 ASP 106 3HB ASP 106 9.136 -14.427 23.082 Start of MODEL 19 1 H1 MET 1 1H MET 1 9.468 14.066 -18.017 2 H2 MET 1 2H MET 1 10.481 15.415 -18.140 3 H3 MET 1 3H MET 1 8.980 15.542 -17.364 4 HA MET 1 HA MET 1 11.251 13.878 -16.468 5 HB2 MET 1 2HB MET 1 11.449 15.520 -14.591 6 HB3 MET 1 3HB MET 1 11.760 16.250 -16.156 7 HG2 MET 1 2HG MET 1 9.420 17.153 -16.137 8 HG3 MET 1 3HG MET 1 9.251 16.543 -14.490 9 HE1 MET 1 3HE MET 1 8.809 19.670 -15.366 10 HE2 MET 1 1HE MET 1 9.606 20.466 -14.013 11 HE3 MET 1 2HE MET 1 8.566 19.070 -13.725 12 H HIS 2 H HIS 2 10.835 12.551 -14.700 13 HA HIS 2 HA HIS 2 8.127 11.864 -13.990 14 HB2 HIS 2 2HB HIS 2 10.748 11.019 -12.650 15 HB3 HIS 2 3HB HIS 2 9.171 10.295 -12.356 16 HD1 HIS 2 HD1 HIS 2 12.132 9.656 -14.168 17 HD2 HIS 2 HD2 HIS 2 8.084 9.261 -15.028 18 HE1 HIS 2 HE1 HIS 2 11.996 8.007 -16.056 19 HE2 HIS 2 HE2 HIS 2 9.558 7.926 -16.664 20 H HIS 3 H HIS 3 7.028 12.380 -12.023 21 HA HIS 3 HA HIS 3 7.421 14.982 -11.017 22 HB2 HIS 3 2HB HIS 3 5.876 12.792 -9.570 23 HB3 HIS 3 3HB HIS 3 5.652 14.529 -9.400 24 HD1 HIS 3 HD1 HIS 3 3.934 11.841 -10.678 25 HD2 HIS 3 HD2 HIS 3 4.955 15.528 -12.298 26 HE1 HIS 3 HE1 HIS 3 2.306 12.233 -12.550 27 HE2 HIS 3 HE2 HIS 3 3.079 14.371 -13.626 28 H HIS 4 H HIS 4 8.691 11.935 -9.939 29 HA HIS 4 HA HIS 4 9.449 12.846 -7.287 30 HB2 HIS 4 2HB HIS 4 8.531 10.511 -7.857 31 HB3 HIS 4 3HB HIS 4 10.093 10.162 -8.590 32 HD1 HIS 4 HD1 HIS 4 8.561 11.053 -5.259 33 HD2 HIS 4 HD2 HIS 4 12.033 9.357 -6.768 34 HE1 HIS 4 HE1 HIS 4 9.863 10.300 -3.265 35 HE2 HIS 4 HE2 HIS 4 11.988 9.338 -4.193 36 H HIS 5 H HIS 5 10.816 13.483 -10.215 37 HA HIS 5 HA HIS 5 13.535 12.708 -9.919 38 HB2 HIS 5 2HB HIS 5 14.037 14.002 -11.829 39 HB3 HIS 5 3HB HIS 5 12.372 13.509 -12.086 40 HD1 HIS 5 HD1 HIS 5 14.514 16.438 -12.026 41 HD2 HIS 5 HD2 HIS 5 10.473 15.719 -11.458 42 HE1 HIS 5 HE1 HIS 5 13.388 18.655 -12.279 43 HE2 HIS 5 HE2 HIS 5 10.938 18.182 -11.992 44 H HIS 6 H HIS 6 11.724 15.188 -8.453 45 HA HIS 6 HA HIS 6 14.094 16.224 -7.022 46 HB2 HIS 6 2HB HIS 6 12.975 18.429 -6.808 47 HB3 HIS 6 3HB HIS 6 13.252 18.025 -8.493 48 HD1 HIS 6 HD1 HIS 6 11.027 20.014 -7.163 49 HD2 HIS 6 HD2 HIS 6 10.404 16.319 -8.953 50 HE1 HIS 6 HE1 HIS 6 8.659 20.040 -7.974 51 HE2 HIS 6 HE2 HIS 6 8.259 17.731 -8.874 52 H HIS 7 H HIS 7 13.505 17.009 -4.810 53 HA HIS 7 HA HIS 7 12.324 14.918 -3.361 54 HB2 HIS 7 2HB HIS 7 12.976 17.742 -2.428 55 HB3 HIS 7 3HB HIS 7 12.511 16.430 -1.351 56 HD1 HIS 7 HD1 HIS 7 15.387 18.121 -2.155 57 HD2 HIS 7 HD2 HIS 7 14.469 14.078 -2.054 58 HE1 HIS 7 HE1 HIS 7 17.584 16.937 -1.927 59 HE2 HIS 7 HE2 HIS 7 17.008 14.500 -2.103 60 H ARG 8 H ARG 8 11.026 18.142 -4.192 61 HA ARG 8 HA ARG 8 8.473 17.780 -2.955 62 HB2 ARG 8 2HB ARG 8 9.423 19.730 -5.092 63 HB3 ARG 8 3HB ARG 8 7.799 19.764 -4.405 64 HG2 ARG 8 2HG ARG 8 8.796 20.166 -2.152 65 HG3 ARG 8 3HG ARG 8 10.399 20.219 -2.892 66 HD2 ARG 8 2HD ARG 8 9.437 22.486 -2.471 67 HD3 ARG 8 3HD ARG 8 9.790 22.194 -4.178 68 HE ARG 8 HE ARG 8 7.099 21.505 -3.587 69 HH11 ARG 8 1HH1 ARG 8 9.099 24.363 -4.104 70 HH12 ARG 8 2HH1 ARG 8 7.766 25.330 -4.632 71 HH21 ARG 8 1HH2 ARG 8 5.386 22.782 -4.278 72 HH22 ARG 8 2HH2 ARG 8 5.655 24.432 -4.734 73 H SER 9 H SER 9 8.086 15.600 -3.741 74 HA SER 9 HA SER 9 7.748 14.994 -6.511 75 HB2 SER 9 2HB SER 9 6.795 13.394 -4.099 76 HB3 SER 9 3HB SER 9 7.074 12.788 -5.737 77 HG SER 9 HG SER 9 9.321 13.881 -5.124 78 H GLY 10 H GLY 10 5.499 15.443 -3.762 79 HA2 GLY 10 2HA GLY 10 3.394 16.375 -3.705 80 HA3 GLY 10 3HA GLY 10 3.431 16.575 -5.447 81 H ASP 11 H ASP 11 3.659 14.155 -6.469 82 HA ASP 11 HA ASP 11 1.092 12.967 -6.157 83 HB2 ASP 11 2HB ASP 11 1.762 11.505 -7.989 84 HB3 ASP 11 3HB ASP 11 2.338 13.128 -8.345 85 H ILE 12 H ILE 12 0.730 10.670 -5.793 86 HA ILE 12 HA ILE 12 2.499 9.425 -3.773 87 HB ILE 12 HB ILE 12 -0.336 8.625 -4.599 88 HG12 ILE 12 2HG1 ILE 12 0.426 10.204 -2.093 89 HG13 ILE 12 3HG1 ILE 12 -0.224 10.940 -3.555 90 HG21 ILE 12 1HG2 ILE 12 -0.353 7.306 -2.507 91 HG22 ILE 12 2HG2 ILE 12 1.321 7.774 -2.195 92 HG23 ILE 12 3HG2 ILE 12 0.928 6.779 -3.600 93 HD11 ILE 12 3HD1 ILE 12 -1.947 10.640 -1.872 94 HD12 ILE 12 1HD1 ILE 12 -1.651 8.903 -1.842 95 HD13 ILE 12 2HD1 ILE 12 -2.291 9.667 -3.301 96 H GLN 13 H GLN 13 4.057 8.406 -4.970 97 HA GLN 13 HA GLN 13 3.444 6.742 -7.280 98 HB2 GLN 13 2HB GLN 13 5.509 8.099 -7.259 99 HB3 GLN 13 3HB GLN 13 6.060 7.271 -5.807 100 HG2 GLN 13 2HG GLN 13 6.217 5.152 -7.063 101 HG3 GLN 13 3HG GLN 13 5.654 5.971 -8.522 102 HE21 GLN 13 1HE2 GLN 13 8.173 4.568 -7.984 103 HE22 GLN 13 2HE2 GLN 13 9.428 5.702 -8.332 104 H VAL 14 H VAL 14 2.842 4.693 -7.059 105 HA VAL 14 HA VAL 14 3.338 3.200 -4.546 106 HB VAL 14 HB VAL 14 0.974 2.933 -6.471 107 HG11 VAL 14 1HG1 VAL 14 1.469 1.596 -3.774 108 HG12 VAL 14 2HG1 VAL 14 1.489 0.796 -5.347 109 HG13 VAL 14 3HG1 VAL 14 -0.019 1.465 -4.720 110 HG21 VAL 14 3HG2 VAL 14 -0.376 3.989 -4.703 111 HG22 VAL 14 1HG2 VAL 14 0.916 5.072 -5.224 112 HG23 VAL 14 2HG2 VAL 14 1.062 4.191 -3.699 113 H GLN 15 H GLN 15 4.623 1.465 -4.804 114 HA GLN 15 HA GLN 15 4.689 -0.007 -7.383 115 HB2 GLN 15 2HB GLN 15 7.041 0.564 -5.505 116 HB3 GLN 15 3HB GLN 15 7.114 -0.447 -6.949 117 HG2 GLN 15 2HG GLN 15 6.695 1.494 -8.376 118 HG3 GLN 15 3HG GLN 15 6.468 2.520 -6.957 119 HE21 GLN 15 1HE2 GLN 15 8.823 0.783 -8.890 120 HE22 GLN 15 2HE2 GLN 15 10.214 1.578 -8.248 121 H ASN 16 H ASN 16 3.904 -2.021 -7.030 122 HA ASN 16 HA ASN 16 4.202 -3.289 -4.361 123 HB2 ASN 16 2HB ASN 16 1.896 -3.295 -5.165 124 HB3 ASN 16 3HB ASN 16 2.381 -3.997 -6.704 125 HD21 ASN 16 1HD2 ASN 16 1.800 -4.637 -3.347 126 HD22 ASN 16 2HD2 ASN 16 1.841 -6.350 -3.428 127 H ASN 17 H ASN 17 5.781 -4.707 -4.156 128 HA ASN 17 HA ASN 17 6.696 -6.309 -6.467 129 HB2 ASN 17 2HB ASN 17 8.254 -5.156 -4.124 130 HB3 ASN 17 3HB ASN 17 8.860 -6.549 -5.004 131 HD21 ASN 17 1HD2 ASN 17 7.195 -3.912 -6.690 132 HD22 ASN 17 2HD2 ASN 17 8.596 -3.302 -7.459 133 H ASN 18 H ASN 18 5.619 -8.249 -6.233 134 HA ASN 18 HA ASN 18 5.600 -9.546 -3.561 135 HB2 ASN 18 2HB ASN 18 3.487 -9.525 -4.987 136 HB3 ASN 18 3HB ASN 18 4.323 -10.509 -6.179 137 HD21 ASN 18 1HD2 ASN 18 1.929 -11.167 -4.796 138 HD22 ASN 18 2HD2 ASN 18 2.212 -12.601 -3.883 139 H THR 19 H THR 19 7.383 -10.776 -3.142 140 HA THR 19 HA THR 19 9.196 -11.269 -5.410 141 HB THR 19 HB THR 19 10.100 -9.978 -3.475 142 HG1 THR 19 HG1 THR 19 12.075 -11.230 -3.411 143 HG21 THR 19 3HG2 THR 19 9.062 -11.157 -1.565 144 HG22 THR 19 1HG2 THR 19 10.822 -11.141 -1.421 145 HG23 THR 19 2HG2 THR 19 9.991 -12.604 -1.944 146 H CYS 20 H CYS 20 9.495 -13.145 -6.222 147 HA CYS 20 HA CYS 20 9.264 -15.687 -4.927 148 HB2 CYS 20 2HB CYS 20 6.848 -15.108 -5.178 149 HB3 CYS 20 3HB CYS 20 7.080 -14.884 -6.908 150 H ASN 21 H ASN 21 9.432 -17.481 -6.661 151 HA ASN 21 HA ASN 21 11.580 -17.015 -8.419 152 HB2 ASN 21 2HB ASN 21 11.136 -19.253 -7.532 153 HB3 ASN 21 3HB ASN 21 9.562 -19.296 -8.315 154 HD21 ASN 21 1HD2 ASN 21 13.039 -19.344 -8.886 155 HD22 ASN 21 2HD2 ASN 21 12.951 -20.077 -10.446 156 H GLY 22 H GLY 22 11.459 -15.711 -10.122 157 HA2 GLY 22 2HA GLY 22 10.555 -15.852 -12.533 158 HA3 GLY 22 3HA GLY 22 9.012 -15.469 -11.766 159 H LYS 23 H LYS 23 9.197 -13.579 -10.166 160 HA LYS 23 HA LYS 23 9.377 -11.379 -9.752 161 HB2 LYS 23 2HB LYS 23 12.165 -11.713 -10.925 162 HB3 LYS 23 3HB LYS 23 11.621 -10.255 -10.097 163 HG2 LYS 23 2HG LYS 23 11.824 -13.027 -8.857 164 HG3 LYS 23 3HG LYS 23 12.994 -11.717 -8.643 165 HD2 LYS 23 2HD LYS 23 10.062 -11.585 -7.788 166 HD3 LYS 23 3HD LYS 23 11.401 -12.006 -6.719 167 HE2 LYS 23 2HE LYS 23 11.094 -9.344 -8.162 168 HE3 LYS 23 3HE LYS 23 10.712 -9.646 -6.462 169 HZ1 LYS 23 3HZ LYS 23 13.390 -9.887 -7.720 170 HZ2 LYS 23 1HZ LYS 23 13.040 -10.250 -6.106 171 HZ3 LYS 23 2HZ LYS 23 12.887 -8.664 -6.668 172 H THR 24 H THR 24 8.714 -12.358 -12.687 173 HA THR 24 HA THR 24 9.242 -9.963 -14.261 174 HB THR 24 HB THR 24 7.972 -11.283 -16.061 175 HG1 THR 24 HG1 THR 24 6.806 -12.666 -14.605 176 HG21 THR 24 3HG2 THR 24 10.445 -11.316 -15.971 177 HG22 THR 24 1HG2 THR 24 9.818 -12.894 -16.459 178 HG23 THR 24 2HG2 THR 24 10.393 -12.644 -14.809 179 H PHE 25 H PHE 25 8.034 -8.317 -13.338 180 HA PHE 25 HA PHE 25 5.296 -8.052 -14.076 181 HB2 PHE 25 2HB PHE 25 4.294 -7.783 -11.802 182 HB3 PHE 25 3HB PHE 25 4.862 -9.425 -12.073 183 HD1 PHE 25 HD1 PHE 25 5.532 -6.267 -10.238 184 HD2 PHE 25 HD2 PHE 25 6.666 -10.366 -10.733 185 HE1 PHE 25 HE1 PHE 25 6.871 -6.157 -8.193 186 HE2 PHE 25 HE2 PHE 25 7.999 -10.236 -8.673 187 HZ PHE 25 HZ PHE 25 8.103 -8.135 -7.406 188 H ASP 26 H ASP 26 4.382 -5.932 -12.978 189 HA ASP 26 HA ASP 26 6.508 -3.914 -12.520 190 HB2 ASP 26 2HB ASP 26 4.002 -3.588 -14.232 191 HB3 ASP 26 3HB ASP 26 4.983 -2.230 -13.682 192 H TYR 27 H TYR 27 2.924 -4.150 -12.408 193 HA TYR 27 HA TYR 27 1.358 -3.628 -10.840 194 HB2 TYR 27 2HB TYR 27 3.601 -4.676 -9.080 195 HB3 TYR 27 3HB TYR 27 2.052 -4.190 -8.397 196 HD1 TYR 27 HD1 TYR 27 2.525 -6.013 -11.651 197 HD2 TYR 27 HD2 TYR 27 1.311 -6.292 -7.567 198 HE1 TYR 27 HE1 TYR 27 1.620 -8.250 -12.069 199 HE2 TYR 27 HE2 TYR 27 0.414 -8.525 -7.983 200 HH TYR 27 HH TYR 27 1.070 -10.290 -10.805 201 H THR 28 H THR 28 2.707 -1.473 -11.835 202 HA THR 28 HA THR 28 3.380 0.333 -9.601 203 HB THR 28 HB THR 28 3.968 0.609 -12.582 204 HG1 THR 28 HG1 THR 28 5.120 -0.904 -10.718 205 HG21 THR 28 3HG2 THR 28 3.855 2.812 -11.446 206 HG22 THR 28 1HG2 THR 28 5.520 2.414 -11.882 207 HG23 THR 28 2HG2 THR 28 4.981 2.240 -10.212 208 H TYR 29 H TYR 29 2.039 1.930 -9.090 209 HA TYR 29 HA TYR 29 0.041 2.984 -11.006 210 HB2 TYR 29 2HB TYR 29 -0.384 2.712 -7.987 211 HB3 TYR 29 3HB TYR 29 -1.569 3.213 -9.187 212 HD1 TYR 29 HD1 TYR 29 -2.338 1.449 -10.941 213 HD2 TYR 29 HD2 TYR 29 -0.195 0.399 -7.384 214 HE1 TYR 29 HE1 TYR 29 -3.116 -0.881 -11.149 215 HE2 TYR 29 HE2 TYR 29 -0.974 -1.913 -7.597 216 HH TYR 29 HH TYR 29 -2.784 -3.160 -8.614 217 H THR 30 H THR 30 -0.190 5.233 -10.932 218 HA THR 30 HA THR 30 1.331 6.768 -8.907 219 HB THR 30 HB THR 30 1.064 7.524 -11.865 220 HG1 THR 30 HG1 THR 30 3.023 6.121 -10.434 221 HG21 THR 30 3HG2 THR 30 1.225 9.481 -10.353 222 HG22 THR 30 1HG2 THR 30 2.696 9.302 -11.316 223 HG23 THR 30 2HG2 THR 30 2.683 8.800 -9.624 224 H VAL 31 H VAL 31 -0.270 7.526 -7.661 225 HA VAL 31 HA VAL 31 -2.787 8.501 -8.886 226 HB VAL 31 HB VAL 31 -3.942 7.925 -6.757 227 HG11 VAL 31 1HG1 VAL 31 -3.950 5.462 -7.040 228 HG12 VAL 31 2HG1 VAL 31 -2.460 5.559 -7.985 229 HG13 VAL 31 3HG1 VAL 31 -3.945 6.289 -8.601 230 HG21 VAL 31 3HG2 VAL 31 -2.847 6.508 -5.043 231 HG22 VAL 31 1HG2 VAL 31 -2.063 8.084 -5.170 232 HG23 VAL 31 2HG2 VAL 31 -1.305 6.662 -5.891 233 H THR 32 H THR 32 -3.257 10.583 -8.608 234 HA THR 32 HA THR 32 -1.574 12.285 -6.886 235 HB THR 32 HB THR 32 -1.867 12.965 -9.241 236 HG1 THR 32 HG1 THR 32 -1.768 14.525 -7.393 237 HG21 THR 32 3HG2 THR 32 -4.829 13.297 -8.600 238 HG22 THR 32 1HG2 THR 32 -4.136 12.078 -9.687 239 HG23 THR 32 2HG2 THR 32 -4.033 13.790 -10.094 240 H THR 33 H THR 33 -4.534 10.685 -6.772 241 HA THR 33 HA THR 33 -5.581 12.419 -4.620 242 HB THR 33 HB THR 33 -7.207 11.045 -6.810 243 HG1 THR 33 HG1 THR 33 -6.821 12.849 -7.815 244 HG21 THR 33 3HG2 THR 33 -8.184 12.807 -4.531 245 HG22 THR 33 1HG2 THR 33 -8.447 11.064 -4.665 246 HG23 THR 33 2HG2 THR 33 -9.180 12.162 -5.838 247 H GLU 34 H GLU 34 -6.340 11.348 -2.827 248 HA GLU 34 HA GLU 34 -5.282 8.785 -2.221 249 HB2 GLU 34 2HB GLU 34 -7.369 10.406 -0.699 250 HB3 GLU 34 3HB GLU 34 -6.431 9.060 -0.045 251 HG2 GLU 34 2HG GLU 34 -4.380 10.328 -0.236 252 HG3 GLU 34 3HG GLU 34 -5.213 11.648 -1.056 253 H SER 35 H SER 35 -8.484 9.873 -3.233 254 HA SER 35 HA SER 35 -10.021 7.588 -2.710 255 HB2 SER 35 2HB SER 35 -10.299 9.570 -5.022 256 HB3 SER 35 3HB SER 35 -11.561 8.464 -4.446 257 HG SER 35 HG SER 35 -11.357 9.536 -2.386 258 H GLU 36 H GLU 36 -7.921 8.390 -5.458 259 HA GLU 36 HA GLU 36 -8.545 6.132 -7.090 260 HB2 GLU 36 2HB GLU 36 -5.886 7.616 -7.223 261 HB3 GLU 36 3HB GLU 36 -6.764 6.820 -8.529 262 HG2 GLU 36 2HG GLU 36 -7.438 9.444 -7.170 263 HG3 GLU 36 3HG GLU 36 -6.856 9.219 -8.816 264 H LEU 37 H LEU 37 -6.223 6.779 -4.531 265 HA LEU 37 HA LEU 37 -4.509 4.557 -4.803 266 HB2 LEU 37 2HB LEU 37 -4.010 6.561 -3.420 267 HB3 LEU 37 3HB LEU 37 -5.281 6.105 -2.297 268 HG LEU 37 HG LEU 37 -4.004 4.039 -1.699 269 HD11 LEU 37 1HD1 LEU 37 -1.672 3.777 -2.419 270 HD12 LEU 37 2HD1 LEU 37 -1.850 5.153 -3.513 271 HD13 LEU 37 3HD1 LEU 37 -2.794 3.684 -3.775 272 HD21 LEU 37 3HD2 LEU 37 -3.726 6.034 -0.328 273 HD22 LEU 37 1HD2 LEU 37 -2.421 6.604 -1.374 274 HD23 LEU 37 2HD2 LEU 37 -2.217 5.130 -0.421 275 H GLN 38 H GLN 38 -7.546 5.017 -3.034 276 HA GLN 38 HA GLN 38 -7.650 2.538 -1.666 277 HB2 GLN 38 2HB GLN 38 -9.934 4.354 -2.571 278 HB3 GLN 38 3HB GLN 38 -10.073 3.068 -1.367 279 HG2 GLN 38 2HG GLN 38 -8.653 4.234 0.175 280 HG3 GLN 38 3HG GLN 38 -8.174 5.412 -1.046 281 HE21 GLN 38 1HE2 GLN 38 -8.837 7.181 0.218 282 HE22 GLN 38 2HE2 GLN 38 -10.501 7.536 0.516 283 H LYS 39 H LYS 39 -8.731 3.542 -4.881 284 HA LYS 39 HA LYS 39 -10.072 1.162 -5.659 285 HB2 LYS 39 2HB LYS 39 -9.007 3.574 -7.118 286 HB3 LYS 39 3HB LYS 39 -9.282 2.144 -8.085 287 HG2 LYS 39 2HG LYS 39 -11.214 3.448 -8.331 288 HG3 LYS 39 3HG LYS 39 -11.669 2.129 -7.258 289 HD2 LYS 39 2HD LYS 39 -10.865 4.837 -6.154 290 HD3 LYS 39 3HD LYS 39 -12.495 4.556 -6.751 291 HE2 LYS 39 2HE LYS 39 -11.145 3.095 -4.457 292 HE3 LYS 39 3HE LYS 39 -12.439 4.291 -4.335 293 HZ1 LYS 39 3HZ LYS 39 -13.262 2.027 -4.128 294 HZ2 LYS 39 1HZ LYS 39 -12.667 1.640 -5.662 295 HZ3 LYS 39 2HZ LYS 39 -13.904 2.774 -5.497 296 H VAL 40 H VAL 40 -6.725 2.307 -6.241 297 HA VAL 40 HA VAL 40 -6.011 0.090 -7.868 298 HB VAL 40 HB VAL 40 -3.714 0.873 -7.849 299 HG11 VAL 40 1HG1 VAL 40 -5.635 3.215 -8.040 300 HG12 VAL 40 2HG1 VAL 40 -5.283 2.044 -9.315 301 HG13 VAL 40 3HG1 VAL 40 -4.018 3.139 -8.754 302 HG21 VAL 40 3HG2 VAL 40 -2.944 2.809 -6.509 303 HG22 VAL 40 1HG2 VAL 40 -3.423 1.459 -5.477 304 HG23 VAL 40 2HG2 VAL 40 -4.494 2.846 -5.668 305 H LEU 41 H LEU 41 -5.880 0.628 -4.414 306 HA LEU 41 HA LEU 41 -4.160 -1.584 -3.788 307 HB2 LEU 41 2HB LEU 41 -5.669 0.469 -2.275 308 HB3 LEU 41 3HB LEU 41 -5.632 -1.074 -1.454 309 HG LEU 41 HG LEU 41 -3.810 0.391 -0.685 310 HD11 LEU 41 1HD1 LEU 41 -3.447 -1.992 -0.533 311 HD12 LEU 41 2HD1 LEU 41 -1.934 -1.178 -0.911 312 HD13 LEU 41 3HD1 LEU 41 -2.802 -2.045 -2.181 313 HD21 LEU 41 3HD2 LEU 41 -1.939 1.025 -2.111 314 HD22 LEU 41 1HD2 LEU 41 -3.444 1.692 -2.739 315 HD23 LEU 41 2HD2 LEU 41 -2.714 0.282 -3.515 316 H ASN 42 H ASN 42 -7.636 -1.149 -4.136 317 HA ASN 42 HA ASN 42 -8.444 -3.583 -2.864 318 HB2 ASN 42 2HB ASN 42 -9.924 -1.555 -3.155 319 HB3 ASN 42 3HB ASN 42 -10.025 -1.917 -4.875 320 HD21 ASN 42 1HD2 ASN 42 -12.286 -2.162 -4.739 321 HD22 ASN 42 2HD2 ASN 42 -13.033 -3.534 -4.013 322 H GLU 43 H GLU 43 -7.798 -2.668 -6.251 323 HA GLU 43 HA GLU 43 -8.500 -5.259 -7.347 324 HB2 GLU 43 2HB GLU 43 -7.610 -4.343 -9.485 325 HB3 GLU 43 3HB GLU 43 -8.776 -3.266 -8.726 326 HG2 GLU 43 2HG GLU 43 -6.776 -1.994 -7.772 327 HG3 GLU 43 3HG GLU 43 -5.768 -2.934 -8.873 328 H LEU 44 H LEU 44 -5.546 -3.591 -6.356 329 HA LEU 44 HA LEU 44 -3.574 -5.324 -7.363 330 HB2 LEU 44 2HB LEU 44 -3.181 -3.060 -6.418 331 HB3 LEU 44 3HB LEU 44 -3.549 -3.665 -4.812 332 HG LEU 44 HG LEU 44 -1.525 -5.115 -4.907 333 HD11 LEU 44 1HD1 LEU 44 0.127 -4.824 -6.718 334 HD12 LEU 44 2HD1 LEU 44 -1.025 -3.818 -7.602 335 HD13 LEU 44 3HD1 LEU 44 -1.386 -5.518 -7.294 336 HD21 LEU 44 3HD2 LEU 44 -1.397 -2.861 -3.919 337 HD22 LEU 44 1HD2 LEU 44 -0.937 -2.193 -5.487 338 HD23 LEU 44 2HD2 LEU 44 0.126 -3.334 -4.659 339 H LYS 45 H LYS 45 -5.473 -5.375 -4.430 340 HA LYS 45 HA LYS 45 -4.473 -7.297 -2.794 341 HB2 LYS 45 2HB LYS 45 -6.470 -5.937 -2.360 342 HB3 LYS 45 3HB LYS 45 -7.355 -6.769 -3.630 343 HG2 LYS 45 2HG LYS 45 -7.271 -8.857 -2.289 344 HG3 LYS 45 3HG LYS 45 -6.414 -7.985 -1.013 345 HD2 LYS 45 2HD LYS 45 -8.802 -8.182 -0.476 346 HD3 LYS 45 3HD LYS 45 -8.361 -6.488 -0.714 347 HE2 LYS 45 2HE LYS 45 -9.274 -6.631 -3.046 348 HE3 LYS 45 3HE LYS 45 -9.780 -8.289 -2.711 349 HZ1 LYS 45 3HZ LYS 45 -10.720 -5.853 -1.308 350 HZ2 LYS 45 1HZ LYS 45 -11.195 -7.432 -0.948 351 HZ3 LYS 45 2HZ LYS 45 -11.589 -6.753 -2.442 352 H ASP 46 H ASP 46 -6.590 -7.858 -5.619 353 HA ASP 46 HA ASP 46 -6.869 -10.656 -5.388 354 HB2 ASP 46 2HB ASP 46 -7.018 -9.025 -7.966 355 HB3 ASP 46 3HB ASP 46 -7.739 -10.609 -7.684 356 H TYR 47 H TYR 47 -4.482 -8.648 -7.030 357 HA TYR 47 HA TYR 47 -3.295 -10.742 -8.608 358 HB2 TYR 47 2HB TYR 47 -2.323 -7.912 -8.028 359 HB3 TYR 47 3HB TYR 47 -1.633 -8.986 -9.241 360 HD1 TYR 47 HD2 TYR 47 -3.695 -10.090 -10.770 361 HD2 TYR 47 HD1 TYR 47 -3.632 -6.212 -8.981 362 HE1 TYR 47 HE2 TYR 47 -5.309 -9.295 -12.442 363 HE2 TYR 47 HE1 TYR 47 -5.241 -5.414 -10.649 364 HH TYR 47 HH TYR 47 -6.952 -7.508 -12.717 365 H ILE 48 H ILE 48 -2.409 -9.081 -5.572 366 HA ILE 48 HA ILE 48 0.153 -10.255 -5.164 367 HB ILE 48 HB ILE 48 -1.817 -9.363 -2.994 368 HG12 ILE 48 2HG1 ILE 48 0.363 -7.640 -4.277 369 HG13 ILE 48 3HG1 ILE 48 -1.335 -7.560 -4.730 370 HG21 ILE 48 1HG2 ILE 48 1.220 -9.626 -2.903 371 HG22 ILE 48 2HG2 ILE 48 0.060 -10.690 -2.100 372 HG23 ILE 48 3HG2 ILE 48 0.206 -9.009 -1.593 373 HD11 ILE 48 3HD1 ILE 48 -0.739 -5.769 -3.209 374 HD12 ILE 48 1HD1 ILE 48 -0.217 -6.933 -1.994 375 HD13 ILE 48 2HD1 ILE 48 -1.917 -6.847 -2.464 376 H LYS 49 H LYS 49 -3.123 -11.150 -4.263 377 HA LYS 49 HA LYS 49 -2.581 -13.438 -2.675 378 HB2 LYS 49 2HB LYS 49 -4.725 -11.954 -2.870 379 HB3 LYS 49 3HB LYS 49 -5.149 -12.964 -4.240 380 HG2 LYS 49 2HG LYS 49 -5.264 -14.929 -2.829 381 HG3 LYS 49 3HG LYS 49 -4.612 -14.029 -1.451 382 HD2 LYS 49 2HD LYS 49 -6.661 -12.522 -1.585 383 HD3 LYS 49 3HD LYS 49 -7.326 -13.630 -2.791 384 HE2 LYS 49 2HE LYS 49 -7.353 -15.433 -1.146 385 HE3 LYS 49 3HE LYS 49 -6.560 -14.399 0.046 386 HZ1 LYS 49 3HZ LYS 49 -8.963 -14.575 0.376 387 HZ2 LYS 49 1HZ LYS 49 -9.228 -13.875 -1.134 388 HZ3 LYS 49 2HZ LYS 49 -8.474 -12.981 0.087 389 H LYS 50 H LYS 50 -3.235 -12.919 -6.095 390 HA LYS 50 HA LYS 50 -3.731 -15.604 -6.862 391 HB2 LYS 50 2HB LYS 50 -4.499 -13.557 -8.091 392 HB3 LYS 50 3HB LYS 50 -2.842 -13.282 -8.611 393 HG2 LYS 50 2HG LYS 50 -2.867 -15.414 -9.853 394 HG3 LYS 50 3HG LYS 50 -4.512 -15.731 -9.292 395 HD2 LYS 50 2HD LYS 50 -3.658 -13.393 -11.048 396 HD3 LYS 50 3HD LYS 50 -4.459 -14.860 -11.617 397 HE2 LYS 50 2HE LYS 50 -6.451 -14.299 -10.250 398 HE3 LYS 50 3HE LYS 50 -5.644 -12.837 -9.674 399 HZ1 LYS 50 3HZ LYS 50 -5.575 -12.034 -11.949 400 HZ2 LYS 50 1HZ LYS 50 -7.162 -12.340 -11.460 401 HZ3 LYS 50 2HZ LYS 50 -6.371 -13.423 -12.496 402 H GLN 51 H GLN 51 -0.801 -13.575 -6.903 403 HA GLN 51 HA GLN 51 0.958 -15.574 -7.982 404 HB2 GLN 51 2HB GLN 51 1.644 -13.196 -6.193 405 HB3 GLN 51 3HB GLN 51 2.790 -14.120 -7.162 406 HG2 GLN 51 2HG GLN 51 1.852 -13.269 -9.210 407 HG3 GLN 51 3HG GLN 51 0.501 -12.524 -8.357 408 HE21 GLN 51 1HE2 GLN 51 0.923 -10.701 -7.021 409 HE22 GLN 51 2HE2 GLN 51 2.305 -9.698 -7.286 410 H GLY 52 H GLY 52 0.578 -17.487 -6.873 411 HA2 GLY 52 2HA GLY 52 0.205 -17.705 -4.045 412 HA3 GLY 52 3HA GLY 52 0.362 -19.027 -5.196 413 H CYS 53 H CYS 53 2.257 -16.586 -3.509 414 HA CYS 53 HA CYS 53 4.370 -18.519 -2.877 415 HB2 CYS 53 2HB CYS 53 4.897 -15.729 -4.009 416 HB3 CYS 53 3HB CYS 53 6.120 -16.908 -3.517 417 H LYS 54 H LYS 54 2.310 -15.926 -2.113 418 HA LYS 54 HA LYS 54 1.691 -14.846 -0.283 419 HB2 LYS 54 2HB LYS 54 2.930 -17.234 1.132 420 HB3 LYS 54 3HB LYS 54 1.814 -16.082 1.868 421 HG2 LYS 54 2HG LYS 54 0.087 -16.760 0.160 422 HG3 LYS 54 3HG LYS 54 1.198 -18.005 -0.416 423 HD2 LYS 54 2HD LYS 54 -0.414 -19.010 1.114 424 HD3 LYS 54 3HD LYS 54 1.186 -19.034 1.861 425 HE2 LYS 54 2HE LYS 54 0.572 -17.036 3.206 426 HE3 LYS 54 3HE LYS 54 -1.030 -17.038 2.463 427 HZ1 LYS 54 3HZ LYS 54 0.110 -19.213 4.128 428 HZ2 LYS 54 1HZ LYS 54 -1.424 -19.219 3.424 429 HZ3 LYS 54 2HZ LYS 54 -1.048 -18.091 4.626 430 H ARG 55 H ARG 55 3.337 -13.273 -1.018 431 HA ARG 55 HA ARG 55 4.779 -12.438 1.386 432 HB2 ARG 55 2HB ARG 55 6.535 -13.386 -0.099 433 HB3 ARG 55 3HB ARG 55 6.025 -12.319 -1.404 434 HG2 ARG 55 2HG ARG 55 8.075 -11.520 -0.210 435 HG3 ARG 55 3HG ARG 55 6.759 -10.349 -0.179 436 HD2 ARG 55 2HD ARG 55 7.876 -10.469 1.988 437 HD3 ARG 55 3HD ARG 55 6.211 -11.008 2.129 438 HE ARG 55 HE ARG 55 7.379 -13.346 1.886 439 HH11 ARG 55 1HH1 ARG 55 8.579 -10.572 3.729 440 HH12 ARG 55 2HH1 ARG 55 9.381 -11.567 4.900 441 HH21 ARG 55 1HH2 ARG 55 8.382 -14.605 3.454 442 HH22 ARG 55 2HH2 ARG 55 9.260 -13.856 4.745 443 H SER 56 H SER 56 4.670 -10.282 1.759 444 HA SER 56 HA SER 56 2.904 -8.656 0.047 445 HB2 SER 56 2HB SER 56 2.312 -7.553 2.286 446 HB3 SER 56 3HB SER 56 1.795 -9.231 2.144 447 HG SER 56 HG SER 56 2.762 -8.937 4.129 448 H ARG 57 H ARG 57 4.124 -7.081 -0.950 449 HA ARG 57 HA ARG 57 5.663 -5.294 0.766 450 HB2 ARG 57 2HB ARG 57 7.314 -6.938 -0.069 451 HB3 ARG 57 3HB ARG 57 6.874 -6.535 -1.712 452 HG2 ARG 57 2HG ARG 57 7.753 -4.233 -1.373 453 HG3 ARG 57 3HG ARG 57 8.218 -4.689 0.270 454 HD2 ARG 57 2HD ARG 57 9.324 -5.786 -2.344 455 HD3 ARG 57 3HD ARG 57 10.191 -4.867 -1.107 456 HE ARG 57 HE ARG 57 9.207 -7.172 0.123 457 HH11 ARG 57 1HH1 ARG 57 11.570 -6.443 -2.372 458 HH12 ARG 57 2HH1 ARG 57 12.501 -7.865 -2.047 459 HH21 ARG 57 1HH2 ARG 57 10.420 -9.019 0.505 460 HH22 ARG 57 2HH2 ARG 57 11.852 -9.326 -0.420 461 H THR 58 H THR 58 4.493 -3.472 0.449 462 HA THR 58 HA THR 58 4.310 -2.412 -2.311 463 HB THR 58 HB THR 58 2.053 -2.168 -0.261 464 HG1 THR 58 HG1 THR 58 1.108 -3.688 -1.374 465 HG21 THR 58 3HG2 THR 58 0.825 -0.940 -2.029 466 HG22 THR 58 1HG2 THR 58 2.251 -0.998 -3.069 467 HG23 THR 58 2HG2 THR 58 2.290 -0.074 -1.564 468 H SER 59 H SER 59 5.436 -0.652 -2.403 469 HA SER 59 HA SER 59 5.978 1.085 -0.111 470 HB2 SER 59 2HB SER 59 7.051 1.175 -2.980 471 HB3 SER 59 3HB SER 59 7.687 2.056 -1.586 472 HG SER 59 HG SER 59 7.819 -0.296 -0.729 473 H ILE 60 H ILE 60 4.634 2.808 0.196 474 HA ILE 60 HA ILE 60 3.278 4.100 -2.126 475 HB ILE 60 HB ILE 60 2.281 3.773 0.753 476 HG12 ILE 60 2HG1 ILE 60 1.216 2.717 -1.912 477 HG13 ILE 60 3HG1 ILE 60 1.873 1.769 -0.579 478 HG21 ILE 60 1HG2 ILE 60 0.952 5.369 -1.470 479 HG22 ILE 60 2HG2 ILE 60 1.735 6.048 -0.041 480 HG23 ILE 60 3HG2 ILE 60 0.280 5.068 0.135 481 HD11 ILE 60 3HD1 ILE 60 -0.515 1.551 -0.649 482 HD12 ILE 60 1HD1 ILE 60 -0.731 3.300 -0.592 483 HD13 ILE 60 2HD1 ILE 60 -0.064 2.442 0.803 484 H THR 61 H THR 61 3.895 6.203 -2.474 485 HA THR 61 HA THR 61 5.831 7.494 -0.836 486 HB THR 61 HB THR 61 4.114 8.727 -3.035 487 HG1 THR 61 HG1 THR 61 5.469 6.897 -3.629 488 HG21 THR 61 3HG2 THR 61 5.944 10.408 -3.212 489 HG22 THR 61 1HG2 THR 61 6.747 9.683 -1.825 490 HG23 THR 61 2HG2 THR 61 5.172 10.462 -1.621 491 H ALA 62 H ALA 62 5.408 8.333 1.069 492 HA ALA 62 HA ALA 62 2.876 9.742 1.669 493 HB1 ALA 62 3HB ALA 62 3.490 9.365 4.041 494 HB2 ALA 62 1HB ALA 62 4.972 8.544 3.526 495 HB3 ALA 62 2HB ALA 62 3.396 7.844 3.151 496 H ARG 63 H ARG 63 3.166 11.862 1.186 497 HA ARG 63 HA ARG 63 5.665 13.211 1.089 498 HB2 ARG 63 2HB ARG 63 2.859 14.393 1.269 499 HB3 ARG 63 3HB ARG 63 4.312 15.308 0.869 500 HG2 ARG 63 2HG ARG 63 3.059 13.075 -0.777 501 HG3 ARG 63 3HG ARG 63 3.052 14.807 -1.154 502 HD2 ARG 63 2HD ARG 63 5.458 12.963 -1.041 503 HD3 ARG 63 3HD ARG 63 4.764 13.710 -2.486 504 HE ARG 63 HE ARG 63 5.397 15.868 -1.007 505 HH11 ARG 63 1HH1 ARG 63 7.348 13.033 -1.826 506 HH12 ARG 63 2HH1 ARG 63 8.842 13.907 -1.741 507 HH21 ARG 63 1HH2 ARG 63 7.380 16.952 -0.851 508 HH22 ARG 63 2HH2 ARG 63 8.861 16.109 -1.190 509 H THR 64 H THR 64 3.348 12.709 3.629 510 HA THR 64 HA THR 64 5.201 13.914 5.590 511 HB THR 64 HB THR 64 3.273 14.654 6.952 512 HG1 THR 64 HG1 THR 64 1.505 14.158 4.803 513 HG21 THR 64 3HG2 THR 64 4.177 16.311 5.377 514 HG22 THR 64 1HG2 THR 64 2.428 16.505 5.510 515 HG23 THR 64 2HG2 THR 64 3.123 15.699 4.093 516 H LYS 65 H LYS 65 4.972 12.915 7.757 517 HA LYS 65 HA LYS 65 4.699 10.078 7.736 518 HB2 LYS 65 2HB LYS 65 4.997 10.219 10.204 519 HB3 LYS 65 3HB LYS 65 6.215 11.131 9.321 520 HG2 LYS 65 2HG LYS 65 5.129 13.233 9.877 521 HG3 LYS 65 3HG LYS 65 3.762 12.389 10.603 522 HD2 LYS 65 2HD LYS 65 5.298 13.303 12.312 523 HD3 LYS 65 3HD LYS 65 5.178 11.546 12.409 524 HE2 LYS 65 2HE LYS 65 7.503 12.352 12.723 525 HE3 LYS 65 3HE LYS 65 7.363 11.315 11.309 526 HZ1 LYS 65 3HZ LYS 65 7.331 13.268 9.917 527 HZ2 LYS 65 1HZ LYS 65 8.722 13.249 10.880 528 HZ3 LYS 65 2HZ LYS 65 7.437 14.275 11.268 529 H LYS 66 H LYS 66 2.434 12.647 8.183 530 HA LYS 66 HA LYS 66 0.343 11.326 9.589 531 HB2 LYS 66 2HB LYS 66 0.336 13.726 7.693 532 HB3 LYS 66 3HB LYS 66 -1.136 13.126 8.441 533 HG2 LYS 66 2HG LYS 66 -0.354 15.005 9.725 534 HG3 LYS 66 3HG LYS 66 -0.159 13.536 10.685 535 HD2 LYS 66 2HD LYS 66 2.267 13.498 10.071 536 HD3 LYS 66 3HD LYS 66 2.052 15.016 9.193 537 HE2 LYS 66 2HE LYS 66 3.019 15.366 11.441 538 HE3 LYS 66 3HE LYS 66 1.444 16.147 11.289 539 HZ1 LYS 66 3HZ LYS 66 0.432 14.346 12.491 540 HZ2 LYS 66 1HZ LYS 66 1.725 14.955 13.399 541 HZ3 LYS 66 2HZ LYS 66 1.894 13.501 12.556 542 H GLU 67 H GLU 67 1.175 11.694 6.187 543 HA GLU 67 HA GLU 67 -0.995 10.237 5.066 544 HB2 GLU 67 2HB GLU 67 1.754 10.947 3.959 545 HB3 GLU 67 3HB GLU 67 0.485 10.176 2.999 546 HG2 GLU 67 2HG GLU 67 -0.957 12.072 3.199 547 HG3 GLU 67 3HG GLU 67 0.066 12.801 4.442 548 H ALA 68 H ALA 68 2.241 9.364 6.160 549 HA ALA 68 HA ALA 68 2.332 6.694 5.267 550 HB1 ALA 68 3HB ALA 68 4.309 7.938 6.036 551 HB2 ALA 68 1HB ALA 68 4.139 6.410 6.905 552 HB3 ALA 68 2HB ALA 68 3.689 7.929 7.689 553 H GLU 69 H GLU 69 0.769 8.149 8.062 554 HA GLU 69 HA GLU 69 0.301 5.670 9.458 555 HB2 GLU 69 2HB GLU 69 -0.890 8.439 9.883 556 HB3 GLU 69 3HB GLU 69 -1.144 7.063 10.955 557 HG2 GLU 69 2HG GLU 69 1.430 8.575 10.447 558 HG3 GLU 69 3HG GLU 69 0.516 8.452 11.948 559 H LYS 70 H LYS 70 -1.770 7.935 7.601 560 HA LYS 70 HA LYS 70 -4.161 6.423 7.994 561 HB2 LYS 70 2HB LYS 70 -5.199 7.962 6.379 562 HB3 LYS 70 3HB LYS 70 -4.248 8.832 7.574 563 HG2 LYS 70 2HG LYS 70 -2.406 9.050 5.867 564 HG3 LYS 70 3HG LYS 70 -3.473 8.292 4.690 565 HD2 LYS 70 2HD LYS 70 -5.110 10.128 4.935 566 HD3 LYS 70 3HD LYS 70 -4.099 10.889 6.164 567 HE2 LYS 70 2HE LYS 70 -2.345 11.278 4.494 568 HE3 LYS 70 3HE LYS 70 -3.298 10.453 3.267 569 HZ1 LYS 70 3HZ LYS 70 -4.115 12.941 4.656 570 HZ2 LYS 70 1HZ LYS 70 -4.947 12.175 3.399 571 HZ3 LYS 70 2HZ LYS 70 -3.430 12.869 3.115 572 H PHE 71 H PHE 71 -1.619 6.355 5.569 573 HA PHE 71 HA PHE 71 -3.060 4.508 3.832 574 HB2 PHE 71 2HB PHE 71 -0.244 5.569 3.621 575 HB3 PHE 71 3HB PHE 71 -1.043 4.549 2.422 576 HD1 PHE 71 HD1 PHE 71 -3.763 6.457 3.248 577 HD2 PHE 71 HD2 PHE 71 0.056 6.932 1.561 578 HE1 PHE 71 HE1 PHE 71 -4.540 8.465 2.083 579 HE2 PHE 71 HE2 PHE 71 -0.686 8.965 0.391 580 HZ PHE 71 HZ PHE 71 -2.991 9.725 0.655 581 H ALA 72 H ALA 72 -0.725 4.341 6.444 582 HA ALA 72 HA ALA 72 0.114 1.663 6.174 583 HB1 ALA 72 3HB ALA 72 -0.511 3.170 8.751 584 HB2 ALA 72 1HB ALA 72 1.051 3.120 7.931 585 HB3 ALA 72 2HB ALA 72 0.387 1.650 8.642 586 H ALA 73 H ALA 73 -2.753 3.124 7.691 587 HA ALA 73 HA ALA 73 -4.146 0.839 8.461 588 HB1 ALA 73 3HB ALA 73 -5.284 3.497 7.529 589 HB2 ALA 73 1HB ALA 73 -4.783 3.099 9.175 590 HB3 ALA 73 2HB ALA 73 -6.158 2.266 8.447 591 H ILE 74 H ILE 74 -4.202 2.573 5.300 592 HA ILE 74 HA ILE 74 -6.118 1.053 3.929 593 HB ILE 74 HB ILE 74 -3.624 2.434 2.782 594 HG12 ILE 74 2HG1 ILE 74 -6.549 3.339 2.933 595 HG13 ILE 74 3HG1 ILE 74 -5.212 3.992 3.874 596 HG21 ILE 74 1HG2 ILE 74 -4.409 0.693 1.210 597 HG22 ILE 74 2HG2 ILE 74 -4.756 2.296 0.564 598 HG23 ILE 74 3HG2 ILE 74 -6.052 1.332 1.282 599 HD11 ILE 74 3HD1 ILE 74 -5.798 5.482 2.068 600 HD12 ILE 74 1HD1 ILE 74 -5.553 4.207 0.876 601 HD13 ILE 74 2HD1 ILE 74 -4.173 4.840 1.799 602 H LEU 75 H LEU 75 -2.587 0.564 4.047 603 HA LEU 75 HA LEU 75 -2.446 -1.757 2.481 604 HB2 LEU 75 2HB LEU 75 -0.589 -0.620 4.600 605 HB3 LEU 75 3HB LEU 75 -0.179 -2.058 3.667 606 HG LEU 75 HG LEU 75 -0.767 0.661 2.422 607 HD11 LEU 75 1HD1 LEU 75 1.628 0.889 2.027 608 HD12 LEU 75 2HD1 LEU 75 1.937 -0.617 2.899 609 HD13 LEU 75 3HD1 LEU 75 1.285 0.783 3.753 610 HD21 LEU 75 3HD2 LEU 75 0.178 -0.329 0.378 611 HD22 LEU 75 1HD2 LEU 75 -1.248 -1.206 0.923 612 HD23 LEU 75 2HD2 LEU 75 0.361 -1.881 1.201 613 H ILE 76 H ILE 76 -2.554 -1.464 6.060 614 HA ILE 76 HA ILE 76 -2.371 -4.157 6.760 615 HB ILE 76 HB ILE 76 -3.454 -1.704 8.159 616 HG12 ILE 76 2HG1 ILE 76 -1.783 -2.293 9.908 617 HG13 ILE 76 3HG1 ILE 76 -1.437 -3.806 9.091 618 HG21 ILE 76 1HG2 ILE 76 -4.144 -2.973 10.186 619 HG22 ILE 76 2HG2 ILE 76 -3.945 -4.484 9.294 620 HG23 ILE 76 3HG2 ILE 76 -5.176 -3.322 8.797 621 HD11 ILE 76 3HD1 ILE 76 -0.476 -2.554 7.213 622 HD12 ILE 76 1HD1 ILE 76 0.331 -2.221 8.745 623 HD13 ILE 76 2HD1 ILE 76 -0.799 -1.048 8.076 624 H LYS 77 H LYS 77 -5.236 -2.255 5.845 625 HA LYS 77 HA LYS 77 -7.203 -4.223 6.462 626 HB2 LYS 77 2HB LYS 77 -7.338 -1.777 4.648 627 HB3 LYS 77 3HB LYS 77 -8.735 -2.778 5.059 628 HG2 LYS 77 2HG LYS 77 -8.382 -2.246 7.466 629 HG3 LYS 77 3HG LYS 77 -7.034 -1.202 7.023 630 HD2 LYS 77 2HD LYS 77 -8.992 0.178 7.403 631 HD3 LYS 77 3HD LYS 77 -8.603 0.211 5.680 632 HE2 LYS 77 2HE LYS 77 -10.410 -1.348 5.191 633 HE3 LYS 77 3HE LYS 77 -10.723 -1.592 6.908 634 HZ1 LYS 77 3HZ LYS 77 -11.423 0.698 7.085 635 HZ2 LYS 77 1HZ LYS 77 -12.318 -0.093 5.888 636 HZ3 LYS 77 2HZ LYS 77 -11.076 0.968 5.457 637 H VAL 78 H VAL 78 -5.519 -3.373 3.450 638 HA VAL 78 HA VAL 78 -6.946 -5.107 1.705 639 HB VAL 78 HB VAL 78 -4.175 -3.840 1.478 640 HG11 VAL 78 1HG1 VAL 78 -4.242 -4.346 -0.955 641 HG12 VAL 78 2HG1 VAL 78 -5.718 -5.284 -0.716 642 HG13 VAL 78 3HG1 VAL 78 -4.205 -5.824 0.013 643 HG21 VAL 78 3HG2 VAL 78 -6.844 -3.091 0.213 644 HG22 VAL 78 1HG2 VAL 78 -5.315 -2.248 -0.043 645 HG23 VAL 78 2HG2 VAL 78 -6.064 -2.248 1.553 646 H TYR 79 H TYR 79 -3.890 -5.471 3.480 647 HA TYR 79 HA TYR 79 -3.348 -8.127 2.556 648 HB2 TYR 79 2HB TYR 79 -2.129 -6.470 4.789 649 HB3 TYR 79 3HB TYR 79 -1.565 -8.089 4.374 650 HD1 TYR 79 HD1 TYR 79 -1.158 -8.365 1.691 651 HD2 TYR 79 HD2 TYR 79 -0.851 -4.717 3.853 652 HE1 TYR 79 HE1 TYR 79 0.344 -7.478 -0.023 653 HE2 TYR 79 HE2 TYR 79 0.668 -3.824 2.140 654 HH TYR 79 HH TYR 79 2.254 -4.772 0.454 655 H ALA 80 H ALA 80 -5.318 -6.857 5.100 656 HA ALA 80 HA ALA 80 -5.445 -9.081 6.842 657 HB1 ALA 80 3HB ALA 80 -6.358 -6.860 7.436 658 HB2 ALA 80 1HB ALA 80 -7.579 -8.123 7.616 659 HB3 ALA 80 2HB ALA 80 -7.616 -7.049 6.213 660 H GLU 81 H GLU 81 -7.069 -8.325 3.796 661 HA GLU 81 HA GLU 81 -8.864 -10.594 3.809 662 HB2 GLU 81 2HB GLU 81 -8.034 -8.868 1.432 663 HB3 GLU 81 3HB GLU 81 -9.474 -9.884 1.555 664 HG2 GLU 81 2HG GLU 81 -8.887 -7.336 3.099 665 HG3 GLU 81 3HG GLU 81 -10.061 -7.532 1.800 666 H LEU 82 H LEU 82 -5.576 -10.082 3.022 667 HA LEU 82 HA LEU 82 -5.340 -12.271 1.097 668 HB2 LEU 82 2HB LEU 82 -3.235 -10.354 2.184 669 HB3 LEU 82 3HB LEU 82 -2.991 -11.509 0.874 670 HG LEU 82 HG LEU 82 -4.830 -9.080 0.829 671 HD11 LEU 82 1HD1 LEU 82 -2.309 -9.638 -0.745 672 HD12 LEU 82 2HD1 LEU 82 -2.519 -8.448 0.543 673 HD13 LEU 82 3HD1 LEU 82 -3.390 -8.258 -0.973 674 HD21 LEU 82 3HD2 LEU 82 -5.938 -10.828 -0.376 675 HD22 LEU 82 1HD2 LEU 82 -4.458 -11.240 -1.246 676 HD23 LEU 82 2HD2 LEU 82 -5.258 -9.700 -1.542 677 H GLY 83 H GLY 83 -4.800 -11.640 4.466 678 HA2 GLY 83 2HA GLY 83 -4.454 -14.397 5.070 679 HA3 GLY 83 3HA GLY 83 -2.912 -13.550 5.183 680 H TYR 84 H TYR 84 -4.355 -14.842 7.285 681 HA TYR 84 HA TYR 84 -5.350 -12.748 9.032 682 HB2 TYR 84 2HB TYR 84 -4.942 -15.730 9.514 683 HB3 TYR 84 3HB TYR 84 -5.564 -14.616 10.730 684 HD1 TYR 84 HD2 TYR 84 -6.274 -16.040 7.356 685 HD2 TYR 84 HD1 TYR 84 -7.887 -13.981 10.737 686 HE1 TYR 84 HE2 TYR 84 -8.518 -16.307 6.448 687 HE2 TYR 84 HE1 TYR 84 -10.154 -14.264 9.823 688 HH TYR 84 HH TYR 84 -11.228 -14.640 7.634 689 H ASN 85 H ASN 85 -2.316 -13.991 8.169 690 HA ASN 85 HA ASN 85 -0.710 -13.756 10.428 691 HB2 ASN 85 2HB ASN 85 -0.139 -13.093 7.504 692 HB3 ASN 85 3HB ASN 85 1.112 -13.011 8.743 693 HD21 ASN 85 1HD2 ASN 85 2.355 -14.624 7.814 694 HD22 ASN 85 2HD2 ASN 85 1.894 -16.289 7.829 695 H ASP 86 H ASP 86 0.170 -12.077 11.558 696 HA ASP 86 HA ASP 86 -1.173 -9.572 11.590 697 HB2 ASP 86 2HB ASP 86 -0.186 -10.593 13.643 698 HB3 ASP 86 3HB ASP 86 1.432 -10.380 12.981 699 H ILE 87 H ILE 87 -0.586 -7.604 10.716 700 HA ILE 87 HA ILE 87 1.144 -7.807 8.377 701 HB ILE 87 HB ILE 87 -0.522 -5.376 9.172 702 HG12 ILE 87 2HG1 ILE 87 -2.067 -7.310 9.261 703 HG13 ILE 87 3HG1 ILE 87 -2.443 -6.293 7.876 704 HG21 ILE 87 1HG2 ILE 87 -0.615 -4.975 6.729 705 HG22 ILE 87 2HG2 ILE 87 0.370 -6.415 6.458 706 HG23 ILE 87 3HG2 ILE 87 1.048 -5.034 7.323 707 HD11 ILE 87 3HD1 ILE 87 -1.243 -7.922 6.437 708 HD12 ILE 87 1HD1 ILE 87 -2.640 -8.596 7.276 709 HD13 ILE 87 2HD1 ILE 87 -1.014 -8.944 7.858 710 H ASN 88 H ASN 88 3.115 -6.785 8.146 711 HA ASN 88 HA ASN 88 4.247 -5.260 10.385 712 HB2 ASN 88 2HB ASN 88 5.621 -7.041 9.345 713 HB3 ASN 88 3HB ASN 88 5.527 -6.223 7.787 714 HD21 ASN 88 1HD2 ASN 88 7.795 -5.993 7.658 715 HD22 ASN 88 2HD2 ASN 88 8.673 -4.889 8.648 716 H VAL 89 H VAL 89 4.930 -3.125 10.218 717 HA VAL 89 HA VAL 89 4.387 -1.642 7.725 718 HB VAL 89 HB VAL 89 2.460 -1.208 9.160 719 HG11 VAL 89 1HG1 VAL 89 3.395 -1.745 11.369 720 HG12 VAL 89 2HG1 VAL 89 2.613 -0.165 11.390 721 HG13 VAL 89 3HG1 VAL 89 4.374 -0.273 11.335 722 HG21 VAL 89 3HG2 VAL 89 2.557 1.261 9.279 723 HG22 VAL 89 1HG2 VAL 89 3.274 0.658 7.784 724 HG23 VAL 89 2HG2 VAL 89 4.313 1.208 9.103 725 H THR 90 H THR 90 6.136 -0.595 7.090 726 HA THR 90 HA THR 90 8.236 0.228 9.008 727 HB THR 90 HB THR 90 8.657 -1.188 6.331 728 HG1 THR 90 HG1 THR 90 8.729 -2.000 9.020 729 HG21 THR 90 3HG2 THR 90 10.434 0.497 6.706 730 HG22 THR 90 1HG2 THR 90 11.073 -1.141 6.876 731 HG23 THR 90 2HG2 THR 90 10.739 -0.170 8.312 732 H TRP 91 H TRP 91 8.947 2.236 8.689 733 HA TRP 91 HA TRP 91 7.941 3.827 6.419 734 HB2 TRP 91 2HB TRP 91 9.098 4.720 9.105 735 HB3 TRP 91 3HB TRP 91 8.418 5.783 7.871 736 HD1 TRP 91 HD1 TRP 91 5.769 5.969 7.741 737 HE1 TRP 91 HE1 TRP 91 3.863 5.171 9.274 738 HE3 TRP 91 HE3 TRP 91 8.405 2.727 10.696 739 HZ2 TRP 91 HZ2 TRP 91 3.516 3.398 11.428 740 HZ3 TRP 91 HZ3 TRP 91 7.207 1.508 12.469 741 HH2 TRP 91 HH2 TRP 91 4.809 1.838 12.827 742 H ASP 92 H ASP 92 9.350 3.961 4.820 743 HA ASP 92 HA ASP 92 12.159 3.393 5.033 744 HB2 ASP 92 2HB ASP 92 10.666 4.634 2.660 745 HB3 ASP 92 3HB ASP 92 12.198 3.759 2.611 746 H GLY 93 H GLY 93 10.176 6.267 4.860 747 HA2 GLY 93 2HA GLY 93 11.044 8.463 5.533 748 HA3 GLY 93 3HA GLY 93 12.543 8.072 4.698 749 H ASP 94 H ASP 94 9.476 9.456 4.403 750 HA ASP 94 HA ASP 94 8.205 10.386 2.814 751 HB2 ASP 94 2HB ASP 94 10.599 9.930 0.981 752 HB3 ASP 94 3HB ASP 94 9.137 10.773 0.471 753 H THR 95 H THR 95 8.867 7.261 2.995 754 HA THR 95 HA THR 95 6.672 6.478 1.248 755 HB THR 95 HB THR 95 9.398 5.075 1.196 756 HG1 THR 95 HG1 THR 95 9.742 6.517 -0.317 757 HG21 THR 95 3HG2 THR 95 6.863 4.458 -0.374 758 HG22 THR 95 1HG2 THR 95 7.530 3.469 0.933 759 HG23 THR 95 2HG2 THR 95 8.425 3.662 -0.574 760 H VAL 96 H VAL 96 5.562 4.669 2.088 761 HA VAL 96 HA VAL 96 6.591 3.426 4.566 762 HB VAL 96 HB VAL 96 4.739 4.880 5.206 763 HG11 VAL 96 1HG1 VAL 96 2.441 4.657 4.346 764 HG12 VAL 96 2HG1 VAL 96 2.981 3.445 3.182 765 HG13 VAL 96 3HG1 VAL 96 3.564 5.106 3.059 766 HG21 VAL 96 3HG2 VAL 96 3.239 3.240 6.299 767 HG22 VAL 96 1HG2 VAL 96 4.930 2.741 6.399 768 HG23 VAL 96 2HG2 VAL 96 3.850 1.967 5.236 769 H THR 97 H THR 97 7.287 1.490 3.939 770 HA THR 97 HA THR 97 5.775 -0.134 2.003 771 HB THR 97 HB THR 97 8.571 -0.532 3.143 772 HG1 THR 97 HG1 THR 97 8.615 1.083 1.663 773 HG21 THR 97 3HG2 THR 97 8.825 -2.333 1.447 774 HG22 THR 97 1HG2 THR 97 7.129 -2.159 0.996 775 HG23 THR 97 2HG2 THR 97 7.560 -2.737 2.611 776 H VAL 98 H VAL 98 4.399 -1.606 2.776 777 HA VAL 98 HA VAL 98 4.835 -2.913 5.388 778 HB VAL 98 HB VAL 98 2.573 -3.039 3.338 779 HG11 VAL 98 1HG1 VAL 98 2.929 -4.914 5.719 780 HG12 VAL 98 2HG1 VAL 98 2.917 -5.372 4.015 781 HG13 VAL 98 3HG1 VAL 98 1.448 -4.758 4.772 782 HG21 VAL 98 3HG2 VAL 98 2.621 -2.317 6.306 783 HG22 VAL 98 1HG2 VAL 98 1.184 -2.317 5.277 784 HG23 VAL 98 2HG2 VAL 98 2.495 -1.180 4.961 785 H GLU 99 H GLU 99 6.071 -4.694 5.472 786 HA GLU 99 HA GLU 99 6.391 -6.406 3.090 787 HB2 GLU 99 2HB GLU 99 8.347 -4.631 3.684 788 HB3 GLU 99 3HB GLU 99 8.836 -5.903 4.797 789 HG2 GLU 99 2HG GLU 99 8.499 -6.158 1.793 790 HG3 GLU 99 3HG GLU 99 10.031 -6.016 2.631 791 H GLY 100 H GLY 100 5.741 -8.393 3.657 792 HA2 GLY 100 2HA GLY 100 5.578 -10.403 4.730 793 HA3 GLY 100 3HA GLY 100 6.970 -9.925 5.690 794 H GLN 101 H GLN 101 6.197 -10.746 7.628 795 HA GLN 101 HA GLN 101 3.673 -9.642 8.739 796 HB2 GLN 101 2HB GLN 101 3.606 -11.662 10.193 797 HB3 GLN 101 3HB GLN 101 3.542 -12.051 8.477 798 HG2 GLN 101 2HG GLN 101 5.971 -12.633 8.545 799 HG3 GLN 101 3HG GLN 101 5.972 -12.329 10.281 800 HE21 GLN 101 1HE2 GLN 101 4.826 -14.451 7.743 801 HE22 GLN 101 2HE2 GLN 101 4.413 -15.778 8.771 802 H LEU 102 H LEU 102 3.644 -8.891 10.852 803 HA LEU 102 HA LEU 102 6.181 -7.909 11.941 804 HB2 LEU 102 2HB LEU 102 4.219 -6.388 11.645 805 HB3 LEU 102 3HB LEU 102 3.298 -7.366 12.763 806 HG LEU 102 HG LEU 102 4.903 -6.723 14.593 807 HD11 LEU 102 1HD1 LEU 102 6.103 -4.861 12.526 808 HD12 LEU 102 2HD1 LEU 102 6.888 -6.262 13.261 809 HD13 LEU 102 3HD1 LEU 102 6.473 -4.869 14.255 810 HD21 LEU 102 3HD2 LEU 102 3.591 -4.369 13.194 811 HD22 LEU 102 1HD2 LEU 102 4.096 -4.423 14.887 812 HD23 LEU 102 2HD2 LEU 102 2.808 -5.483 14.319 813 H GLU 103 H GLU 103 7.005 -8.585 13.857 814 HA GLU 103 HA GLU 103 5.473 -10.389 15.636 815 HB2 GLU 103 2HB GLU 103 7.553 -11.671 16.085 816 HB3 GLU 103 3HB GLU 103 7.079 -11.795 14.394 817 HG2 GLU 103 2HG GLU 103 8.832 -10.336 13.683 818 HG3 GLU 103 3HG GLU 103 9.156 -9.793 15.327 819 H GLY 104 H GLY 104 5.870 -7.503 15.682 820 HA2 GLY 104 2HA GLY 104 7.953 -6.753 17.540 821 HA3 GLY 104 3HA GLY 104 6.701 -5.717 16.873 822 H VAL 105 H VAL 105 7.047 -8.444 19.114 823 HA VAL 105 HA VAL 105 5.010 -7.316 20.908 824 HB VAL 105 HB VAL 105 4.924 -9.591 21.957 825 HG11 VAL 105 1HG1 VAL 105 3.694 -10.725 20.131 826 HG12 VAL 105 2HG1 VAL 105 4.378 -9.591 18.960 827 HG13 VAL 105 3HG1 VAL 105 3.288 -9.008 20.222 828 HG21 VAL 105 3HG2 VAL 105 5.955 -11.549 20.823 829 HG22 VAL 105 1HG2 VAL 105 7.184 -10.424 21.404 830 HG23 VAL 105 2HG2 VAL 105 6.771 -10.470 19.688 831 H ASP 106 H ASP 106 5.563 -6.771 23.003 832 HA ASP 106 HA ASP 106 7.959 -7.574 24.314 833 HB2 ASP 106 2HB ASP 106 9.116 -5.370 24.438 834 HB3 ASP 106 3HB ASP 106 9.067 -6.002 22.799 Start of MODEL 20 1 H1 MET 1 1H MET 1 -19.214 9.077 -0.670 2 H2 MET 1 2H MET 1 -17.685 9.764 -0.483 3 H3 MET 1 3H MET 1 -18.053 8.305 0.287 4 HA MET 1 HA MET 1 -16.665 7.952 -1.634 5 HB2 MET 1 2HB MET 1 -19.526 6.927 -1.849 6 HB3 MET 1 3HB MET 1 -18.221 6.318 -2.860 7 HG2 MET 1 2HG MET 1 -17.032 5.544 -0.848 8 HG3 MET 1 3HG MET 1 -18.356 6.146 0.158 9 HE1 MET 1 3HE MET 1 -18.386 3.656 1.242 10 HE2 MET 1 1HE MET 1 -17.184 3.046 0.108 11 HE3 MET 1 2HE MET 1 -18.718 2.199 0.307 12 H HIS 2 H HIS 2 -16.167 9.882 -2.681 13 HA HIS 2 HA HIS 2 -17.768 10.539 -5.089 14 HB2 HIS 2 2HB HIS 2 -15.512 12.088 -3.721 15 HB3 HIS 2 3HB HIS 2 -16.278 12.571 -5.230 16 HD1 HIS 2 HD1 HIS 2 -19.057 12.880 -4.919 17 HD2 HIS 2 HD2 HIS 2 -16.655 13.285 -1.557 18 HE1 HIS 2 HE1 HIS 2 -20.418 14.193 -3.272 19 HE2 HIS 2 HE2 HIS 2 -18.973 14.366 -1.226 20 H HIS 3 H HIS 3 -16.823 10.333 -7.091 21 HA HIS 3 HA HIS 3 -14.897 8.269 -7.476 22 HB2 HIS 3 2HB HIS 3 -16.000 10.278 -9.504 23 HB3 HIS 3 3HB HIS 3 -15.161 8.779 -9.898 24 HD1 HIS 3 HD1 HIS 3 -16.464 6.525 -9.319 25 HD2 HIS 3 HD2 HIS 3 -18.711 10.010 -9.037 26 HE1 HIS 3 HE1 HIS 3 -18.859 5.782 -9.225 27 HE2 HIS 3 HE2 HIS 3 -20.154 7.881 -8.784 28 H HIS 4 H HIS 4 -14.789 11.766 -7.626 29 HA HIS 4 HA HIS 4 -11.879 11.821 -7.410 30 HB2 HIS 4 2HB HIS 4 -11.509 13.271 -9.295 31 HB3 HIS 4 3HB HIS 4 -12.471 11.936 -9.905 32 HD1 HIS 4 HD1 HIS 4 -12.300 15.534 -9.932 33 HD2 HIS 4 HD2 HIS 4 -15.369 12.729 -10.132 34 HE1 HIS 4 HE1 HIS 4 -14.273 16.755 -10.895 35 HE2 HIS 4 HE2 HIS 4 -16.162 15.096 -10.818 36 H HIS 5 H HIS 5 -11.202 14.264 -7.118 37 HA HIS 5 HA HIS 5 -13.323 15.919 -5.952 38 HB2 HIS 5 2HB HIS 5 -12.389 14.530 -4.047 39 HB3 HIS 5 3HB HIS 5 -10.821 15.285 -4.320 40 HD1 HIS 5 HD1 HIS 5 -14.228 15.958 -2.943 41 HD2 HIS 5 HD2 HIS 5 -10.643 17.995 -3.427 42 HE1 HIS 5 HE1 HIS 5 -14.462 18.064 -1.604 43 HE2 HIS 5 HE2 HIS 5 -12.220 19.167 -1.753 44 H HIS 6 H HIS 6 -9.731 15.924 -5.973 45 HA HIS 6 HA HIS 6 -9.690 18.374 -7.599 46 HB2 HIS 6 2HB HIS 6 -9.750 19.112 -5.197 47 HB3 HIS 6 3HB HIS 6 -8.297 18.174 -4.887 48 HD1 HIS 6 HD1 HIS 6 -9.482 21.395 -6.314 49 HD2 HIS 6 HD2 HIS 6 -5.884 19.354 -5.937 50 HE1 HIS 6 HE1 HIS 6 -7.700 23.072 -6.857 51 HE2 HIS 6 HE2 HIS 6 -5.543 21.878 -6.380 52 H HIS 7 H HIS 7 -7.235 16.768 -5.606 53 HA HIS 7 HA HIS 7 -5.835 15.176 -7.334 54 HB2 HIS 7 2HB HIS 7 -5.370 18.018 -8.011 55 HB3 HIS 7 3HB HIS 7 -3.869 17.292 -7.467 56 HD1 HIS 7 HD1 HIS 7 -2.758 17.365 -9.765 57 HD2 HIS 7 HD2 HIS 7 -6.338 15.270 -9.768 58 HE1 HIS 7 HE1 HIS 7 -2.910 16.313 -12.034 59 HE2 HIS 7 HE2 HIS 7 -4.986 14.895 -11.929 60 H ARG 8 H ARG 8 -3.354 15.203 -6.589 61 HA ARG 8 HA ARG 8 -3.012 16.171 -3.824 62 HB2 ARG 8 2HB ARG 8 -2.711 13.334 -4.811 63 HB3 ARG 8 3HB ARG 8 -1.489 13.906 -3.687 64 HG2 ARG 8 2HG ARG 8 -4.478 13.986 -3.125 65 HG3 ARG 8 3HG ARG 8 -3.383 12.718 -2.566 66 HD2 ARG 8 2HD ARG 8 -2.102 14.327 -1.258 67 HD3 ARG 8 3HD ARG 8 -3.061 15.663 -1.905 68 HE ARG 8 HE ARG 8 -4.965 14.226 -0.741 69 HH11 ARG 8 1HH1 ARG 8 -1.822 15.216 0.477 70 HH12 ARG 8 2HH1 ARG 8 -2.343 15.279 2.128 71 HH21 ARG 8 1HH2 ARG 8 -5.643 14.291 1.436 72 HH22 ARG 8 2HH2 ARG 8 -4.516 14.757 2.676 73 H SER 9 H SER 9 -1.679 17.750 -4.097 74 HA SER 9 HA SER 9 0.075 18.223 -6.220 75 HB2 SER 9 2HB SER 9 -0.888 19.966 -4.675 76 HB3 SER 9 3HB SER 9 0.221 19.420 -3.418 77 HG SER 9 HG SER 9 1.946 20.062 -4.724 78 H GLY 10 H GLY 10 1.912 17.169 -6.691 79 HA2 GLY 10 2HA GLY 10 3.887 15.965 -6.454 80 HA3 GLY 10 3HA GLY 10 3.757 16.089 -4.698 81 H ASP 11 H ASP 11 3.018 14.215 -7.495 82 HA ASP 11 HA ASP 11 0.699 12.855 -6.730 83 HB2 ASP 11 2HB ASP 11 2.860 12.011 -8.697 84 HB3 ASP 11 3HB ASP 11 1.256 11.282 -8.594 85 H ILE 12 H ILE 12 0.338 10.676 -6.172 86 HA ILE 12 HA ILE 12 2.245 9.687 -4.155 87 HB ILE 12 HB ILE 12 -0.630 8.726 -4.596 88 HG12 ILE 12 2HG1 ILE 12 0.212 10.939 -2.656 89 HG13 ILE 12 3HG1 ILE 12 -0.601 11.229 -4.184 90 HG21 ILE 12 1HG2 ILE 12 1.211 8.618 -2.175 91 HG22 ILE 12 2HG2 ILE 12 0.798 7.266 -3.233 92 HG23 ILE 12 3HG2 ILE 12 -0.447 8.012 -2.233 93 HD11 ILE 12 3HD1 ILE 12 -2.136 11.326 -2.314 94 HD12 ILE 12 1HD1 ILE 12 -1.751 9.660 -1.885 95 HD13 ILE 12 2HD1 ILE 12 -2.556 10.017 -3.417 96 H GLN 13 H GLN 13 3.684 8.326 -5.168 97 HA GLN 13 HA GLN 13 2.848 6.368 -7.165 98 HB2 GLN 13 2HB GLN 13 5.013 7.536 -7.397 99 HB3 GLN 13 3HB GLN 13 5.545 6.914 -5.840 100 HG2 GLN 13 2HG GLN 13 5.429 4.587 -6.803 101 HG3 GLN 13 3HG GLN 13 5.048 5.310 -8.369 102 HE21 GLN 13 1HE2 GLN 13 6.948 4.449 -9.302 103 HE22 GLN 13 2HE2 GLN 13 8.520 5.059 -8.940 104 H VAL 14 H VAL 14 2.572 4.223 -6.777 105 HA VAL 14 HA VAL 14 2.871 3.113 -4.030 106 HB VAL 14 HB VAL 14 0.827 2.321 -6.197 107 HG11 VAL 14 1HG1 VAL 14 1.053 1.345 -3.324 108 HG12 VAL 14 2HG1 VAL 14 1.435 0.416 -4.774 109 HG13 VAL 14 3HG1 VAL 14 -0.226 0.917 -4.464 110 HG21 VAL 14 3HG2 VAL 14 -0.911 3.323 -4.767 111 HG22 VAL 14 1HG2 VAL 14 0.276 4.529 -5.268 112 HG23 VAL 14 2HG2 VAL 14 0.322 3.875 -3.629 113 H GLN 15 H GLN 15 4.763 1.910 -4.171 114 HA GLN 15 HA GLN 15 5.255 0.263 -6.595 115 HB2 GLN 15 2HB GLN 15 7.208 1.121 -4.404 116 HB3 GLN 15 3HB GLN 15 7.615 0.125 -5.799 117 HG2 GLN 15 2HG GLN 15 6.911 2.059 -7.269 118 HG3 GLN 15 3HG GLN 15 6.773 3.032 -5.810 119 HE21 GLN 15 1HE2 GLN 15 8.980 1.395 -7.972 120 HE22 GLN 15 2HE2 GLN 15 10.419 2.178 -7.419 121 H ASN 16 H ASN 16 4.294 -1.689 -6.288 122 HA ASN 16 HA ASN 16 4.794 -3.149 -3.764 123 HB2 ASN 16 2HB ASN 16 2.430 -3.113 -4.285 124 HB3 ASN 16 3HB ASN 16 2.711 -3.590 -5.949 125 HD21 ASN 16 1HD2 ASN 16 2.785 -4.748 -2.611 126 HD22 ASN 16 2HD2 ASN 16 2.624 -6.418 -2.994 127 H ASN 17 H ASN 17 5.986 -4.944 -3.755 128 HA ASN 17 HA ASN 17 7.062 -6.082 -6.271 129 HB2 ASN 17 2HB ASN 17 8.264 -6.240 -3.456 130 HB3 ASN 17 3HB ASN 17 8.999 -6.831 -4.951 131 HD21 ASN 17 1HD2 ASN 17 9.996 -5.331 -6.335 132 HD22 ASN 17 2HD2 ASN 17 10.280 -3.688 -5.886 133 H ASN 18 H ASN 18 5.779 -7.791 -6.708 134 HA ASN 18 HA ASN 18 4.751 -9.529 -4.562 135 HB2 ASN 18 2HB ASN 18 3.102 -8.634 -6.211 136 HB3 ASN 18 3HB ASN 18 3.988 -9.412 -7.515 137 HD21 ASN 18 1HD2 ASN 18 2.192 -10.665 -8.118 138 HD22 ASN 18 2HD2 ASN 18 1.598 -11.970 -7.166 139 H THR 19 H THR 19 5.149 -11.740 -4.590 140 HA THR 19 HA THR 19 7.774 -12.416 -5.725 141 HB THR 19 HB THR 19 7.691 -14.267 -3.975 142 HG1 THR 19 HG1 THR 19 5.498 -12.916 -2.800 143 HG21 THR 19 3HG2 THR 19 7.281 -11.437 -2.899 144 HG22 THR 19 1HG2 THR 19 8.819 -12.120 -3.438 145 HG23 THR 19 2HG2 THR 19 8.012 -12.778 -2.015 146 H CYS 20 H CYS 20 7.925 -13.743 -7.380 147 HA CYS 20 HA CYS 20 7.631 -15.297 -8.952 148 HB2 CYS 20 2HB CYS 20 5.723 -16.606 -6.970 149 HB3 CYS 20 3HB CYS 20 6.383 -17.373 -8.413 150 H ASN 21 H ASN 21 6.719 -13.455 -10.092 151 HA ASN 21 HA ASN 21 3.844 -13.372 -10.570 152 HB2 ASN 21 2HB ASN 21 4.995 -11.217 -10.518 153 HB3 ASN 21 3HB ASN 21 6.150 -11.744 -11.735 154 HD21 ASN 21 1HD2 ASN 21 5.610 -9.946 -13.059 155 HD22 ASN 21 2HD2 ASN 21 4.131 -9.866 -13.944 156 H GLY 22 H GLY 22 2.875 -14.589 -12.064 157 HA2 GLY 22 2HA GLY 22 4.213 -16.361 -13.861 158 HA3 GLY 22 3HA GLY 22 2.486 -16.007 -13.818 159 H LYS 23 H LYS 23 1.796 -13.956 -14.826 160 HA LYS 23 HA LYS 23 3.529 -12.521 -16.615 161 HB2 LYS 23 2HB LYS 23 2.986 -14.507 -18.006 162 HB3 LYS 23 3HB LYS 23 1.264 -14.252 -17.747 163 HG2 LYS 23 2HG LYS 23 1.954 -13.506 -19.979 164 HG3 LYS 23 3HG LYS 23 1.363 -12.151 -19.016 165 HD2 LYS 23 2HD LYS 23 3.687 -11.442 -18.564 166 HD3 LYS 23 3HD LYS 23 4.300 -12.821 -19.484 167 HE2 LYS 23 2HE LYS 23 4.339 -10.702 -20.781 168 HE3 LYS 23 3HE LYS 23 3.329 -11.934 -21.536 169 HZ1 LYS 23 3HZ LYS 23 2.246 -9.791 -19.802 170 HZ2 LYS 23 1HZ LYS 23 1.384 -10.830 -20.813 171 HZ3 LYS 23 2HZ LYS 23 2.381 -9.639 -21.478 172 H THR 24 H THR 24 2.905 -10.698 -15.467 173 HA THR 24 HA THR 24 0.608 -9.392 -16.621 174 HB THR 24 HB THR 24 -0.325 -10.488 -14.478 175 HG1 THR 24 HG1 THR 24 -1.582 -8.885 -15.174 176 HG21 THR 24 3HG2 THR 24 1.246 -8.301 -13.058 177 HG22 THR 24 1HG2 THR 24 1.611 -10.027 -12.962 178 HG23 THR 24 2HG2 THR 24 0.088 -9.411 -12.326 179 H PHE 25 H PHE 25 0.589 -6.975 -15.710 180 HA PHE 25 HA PHE 25 3.186 -5.917 -16.373 181 HB2 PHE 25 2HB PHE 25 0.653 -4.440 -15.515 182 HB3 PHE 25 3HB PHE 25 2.078 -3.692 -16.229 183 HD1 PHE 25 HD2 PHE 25 2.772 -4.540 -18.609 184 HD2 PHE 25 HD1 PHE 25 -1.120 -5.126 -16.939 185 HE1 PHE 25 HE2 PHE 25 1.855 -4.901 -20.860 186 HE2 PHE 25 HE1 PHE 25 -2.031 -5.488 -19.197 187 HZ PHE 25 HZ PHE 25 -0.543 -5.375 -21.160 188 H ASP 26 H ASP 26 3.973 -3.930 -15.042 189 HA ASP 26 HA ASP 26 4.955 -4.798 -12.552 190 HB2 ASP 26 2HB ASP 26 4.892 -2.029 -13.817 191 HB3 ASP 26 3HB ASP 26 5.663 -2.329 -12.261 192 H TYR 27 H TYR 27 4.521 -4.210 -10.475 193 HA TYR 27 HA TYR 27 1.743 -3.522 -9.859 194 HB2 TYR 27 2HB TYR 27 3.990 -4.567 -8.083 195 HB3 TYR 27 3HB TYR 27 2.314 -4.371 -7.590 196 HD1 TYR 27 HD1 TYR 27 4.321 -6.132 -10.260 197 HD2 TYR 27 HD2 TYR 27 0.959 -6.312 -7.625 198 HE1 TYR 27 HE1 TYR 27 3.886 -8.432 -10.974 199 HE2 TYR 27 HE2 TYR 27 0.526 -8.619 -8.346 200 HH TYR 27 HH TYR 27 2.791 -10.382 -10.283 201 H THR 28 H THR 28 4.296 -1.697 -10.495 202 HA THR 28 HA THR 28 3.922 0.324 -8.423 203 HB THR 28 HB THR 28 5.684 0.334 -10.919 204 HG1 THR 28 HG1 THR 28 7.042 -0.706 -9.694 205 HG21 THR 28 3HG2 THR 28 5.113 2.641 -10.236 206 HG22 THR 28 1HG2 THR 28 6.808 2.286 -9.901 207 HG23 THR 28 2HG2 THR 28 5.631 2.285 -8.587 208 H TYR 29 H TYR 29 2.272 1.719 -8.603 209 HA TYR 29 HA TYR 29 1.352 2.701 -11.248 210 HB2 TYR 29 2HB TYR 29 -0.574 2.134 -8.928 211 HB3 TYR 29 3HB TYR 29 -0.981 2.550 -10.593 212 HD1 TYR 29 HD1 TYR 29 -0.454 0.814 -12.441 213 HD2 TYR 29 HD2 TYR 29 -0.361 -0.127 -8.272 214 HE1 TYR 29 HE1 TYR 29 -0.547 -1.585 -12.973 215 HE2 TYR 29 HE2 TYR 29 -0.461 -2.515 -8.811 216 HH TYR 29 HH TYR 29 0.161 -3.718 -11.871 217 H THR 30 H THR 30 1.266 4.908 -11.289 218 HA THR 30 HA THR 30 1.642 6.402 -8.776 219 HB THR 30 HB THR 30 1.819 7.468 -11.635 220 HG1 THR 30 HG1 THR 30 3.336 5.794 -11.306 221 HG21 THR 30 3HG2 THR 30 1.586 9.216 -9.882 222 HG22 THR 30 1HG2 THR 30 3.191 9.254 -10.612 223 HG23 THR 30 2HG2 THR 30 2.967 8.540 -9.012 224 H VAL 31 H VAL 31 -0.227 6.921 -7.848 225 HA VAL 31 HA VAL 31 -2.621 7.611 -9.428 226 HB VAL 31 HB VAL 31 -3.877 7.307 -7.292 227 HG11 VAL 31 1HG1 VAL 31 -2.176 4.904 -8.077 228 HG12 VAL 31 2HG1 VAL 31 -3.683 5.415 -8.841 229 HG13 VAL 31 3HG1 VAL 31 -3.697 4.838 -7.176 230 HG21 VAL 31 3HG2 VAL 31 -2.788 6.260 -5.329 231 HG22 VAL 31 1HG2 VAL 31 -2.126 7.859 -5.665 232 HG23 VAL 31 2HG2 VAL 31 -1.216 6.416 -6.115 233 H THR 32 H THR 32 -3.483 9.615 -9.367 234 HA THR 32 HA THR 32 -1.797 11.754 -8.309 235 HB THR 32 HB THR 32 -2.565 11.819 -10.669 236 HG1 THR 32 HG1 THR 32 -2.061 13.755 -9.511 237 HG21 THR 32 3HG2 THR 32 -4.844 10.888 -10.393 238 HG22 THR 32 1HG2 THR 32 -4.875 12.448 -11.218 239 HG23 THR 32 2HG2 THR 32 -5.331 12.341 -9.516 240 H THR 33 H THR 33 -4.627 10.158 -7.294 241 HA THR 33 HA THR 33 -5.137 12.170 -5.217 242 HB THR 33 HB THR 33 -7.401 10.992 -6.927 243 HG1 THR 33 HG1 THR 33 -6.687 12.549 -8.229 244 HG21 THR 33 3HG2 THR 33 -8.850 12.640 -5.770 245 HG22 THR 33 1HG2 THR 33 -7.493 13.134 -4.755 246 HG23 THR 33 2HG2 THR 33 -8.146 11.497 -4.627 247 H GLU 34 H GLU 34 -6.256 11.295 -3.373 248 HA GLU 34 HA GLU 34 -5.411 8.748 -2.496 249 HB2 GLU 34 2HB GLU 34 -7.611 10.501 -1.332 250 HB3 GLU 34 3HB GLU 34 -6.738 9.228 -0.480 251 HG2 GLU 34 2HG GLU 34 -4.737 10.491 -0.364 252 HG3 GLU 34 3HG GLU 34 -5.251 11.588 -1.646 253 H SER 35 H SER 35 -8.449 9.839 -3.920 254 HA SER 35 HA SER 35 -10.095 7.612 -3.439 255 HB2 SER 35 2HB SER 35 -11.368 8.384 -5.467 256 HB3 SER 35 3HB SER 35 -10.997 9.711 -4.367 257 HG SER 35 HG SER 35 -10.350 9.458 -6.941 258 H GLU 36 H GLU 36 -7.926 8.367 -6.132 259 HA GLU 36 HA GLU 36 -8.220 6.077 -7.698 260 HB2 GLU 36 2HB GLU 36 -5.719 7.791 -7.382 261 HB3 GLU 36 3HB GLU 36 -6.094 6.754 -8.753 262 HG2 GLU 36 2HG GLU 36 -7.615 9.247 -7.933 263 HG3 GLU 36 3HG GLU 36 -6.486 9.111 -9.279 264 H LEU 37 H LEU 37 -6.241 6.667 -4.843 265 HA LEU 37 HA LEU 37 -4.607 4.322 -5.085 266 HB2 LEU 37 2HB LEU 37 -3.964 6.428 -3.879 267 HB3 LEU 37 3HB LEU 37 -5.091 6.011 -2.602 268 HG LEU 37 HG LEU 37 -3.042 3.902 -3.271 269 HD11 LEU 37 1HD1 LEU 37 -1.258 4.960 -1.963 270 HD12 LEU 37 2HD1 LEU 37 -2.208 6.444 -1.869 271 HD13 LEU 37 3HD1 LEU 37 -1.635 5.859 -3.430 272 HD21 LEU 37 3HD2 LEU 37 -2.969 3.571 -0.850 273 HD22 LEU 37 1HD2 LEU 37 -4.633 3.548 -1.434 274 HD23 LEU 37 2HD2 LEU 37 -4.011 4.975 -0.603 275 H GLN 38 H GLN 38 -7.519 5.168 -3.230 276 HA GLN 38 HA GLN 38 -7.860 2.818 -1.740 277 HB2 GLN 38 2HB GLN 38 -9.199 4.829 -1.311 278 HB3 GLN 38 3HB GLN 38 -9.934 4.730 -2.906 279 HG2 GLN 38 2HG GLN 38 -11.005 2.562 -2.214 280 HG3 GLN 38 3HG GLN 38 -10.349 2.809 -0.594 281 HE21 GLN 38 1HE2 GLN 38 -12.454 2.855 0.297 282 HE22 GLN 38 2HE2 GLN 38 -13.502 4.214 0.103 283 H LYS 39 H LYS 39 -8.879 3.660 -5.021 284 HA LYS 39 HA LYS 39 -10.297 1.298 -5.662 285 HB2 LYS 39 2HB LYS 39 -9.128 3.586 -7.226 286 HB3 LYS 39 3HB LYS 39 -9.498 2.124 -8.118 287 HG2 LYS 39 2HG LYS 39 -11.398 3.382 -8.444 288 HG3 LYS 39 3HG LYS 39 -11.891 2.355 -7.108 289 HD2 LYS 39 2HD LYS 39 -10.808 5.135 -6.597 290 HD3 LYS 39 3HD LYS 39 -12.477 4.920 -7.107 291 HE2 LYS 39 2HE LYS 39 -11.243 3.685 -4.627 292 HE3 LYS 39 3HE LYS 39 -12.256 5.126 -4.653 293 HZ1 LYS 39 3HZ LYS 39 -13.519 3.180 -4.040 294 HZ2 LYS 39 1HZ LYS 39 -13.094 2.400 -5.477 295 HZ3 LYS 39 2HZ LYS 39 -14.071 3.779 -5.521 296 H VAL 40 H VAL 40 -6.897 2.274 -6.331 297 HA VAL 40 HA VAL 40 -6.317 -0.063 -7.838 298 HB VAL 40 HB VAL 40 -5.124 2.205 -8.036 299 HG11 VAL 40 1HG1 VAL 40 -3.064 2.561 -6.753 300 HG12 VAL 40 2HG1 VAL 40 -3.439 1.157 -5.748 301 HG13 VAL 40 3HG1 VAL 40 -4.492 2.571 -5.718 302 HG21 VAL 40 3HG2 VAL 40 -3.401 -0.299 -7.994 303 HG22 VAL 40 1HG2 VAL 40 -3.036 1.195 -8.864 304 HG23 VAL 40 2HG2 VAL 40 -4.438 0.228 -9.321 305 H LEU 41 H LEU 41 -5.996 0.707 -4.431 306 HA LEU 41 HA LEU 41 -4.295 -1.497 -3.747 307 HB2 LEU 41 2HB LEU 41 -5.608 0.726 -2.306 308 HB3 LEU 41 3HB LEU 41 -5.657 -0.755 -1.375 309 HG LEU 41 HG LEU 41 -3.699 0.628 -0.794 310 HD11 LEU 41 1HD1 LEU 41 -1.956 -1.142 -0.988 311 HD12 LEU 41 2HD1 LEU 41 -3.006 -2.030 -2.092 312 HD13 LEU 41 3HD1 LEU 41 -3.510 -1.746 -0.420 313 HD21 LEU 41 3HD2 LEU 41 -1.833 0.990 -2.329 314 HD22 LEU 41 1HD2 LEU 41 -3.304 1.708 -2.984 315 HD23 LEU 41 2HD2 LEU 41 -2.705 0.180 -3.634 316 H ASN 42 H ASN 42 -7.770 -0.971 -3.777 317 HA ASN 42 HA ASN 42 -8.553 -3.338 -2.418 318 HB2 ASN 42 2HB ASN 42 -10.021 -1.326 -2.671 319 HB3 ASN 42 3HB ASN 42 -10.157 -1.648 -4.394 320 HD21 ASN 42 1HD2 ASN 42 -11.525 -3.317 -5.090 321 HD22 ASN 42 2HD2 ASN 42 -12.636 -4.121 -4.035 322 H GLU 43 H GLU 43 -7.940 -2.610 -5.846 323 HA GLU 43 HA GLU 43 -8.838 -5.242 -6.742 324 HB2 GLU 43 2HB GLU 43 -8.189 -4.493 -9.001 325 HB3 GLU 43 3HB GLU 43 -9.227 -3.318 -8.200 326 HG2 GLU 43 2HG GLU 43 -7.226 -1.944 -7.662 327 HG3 GLU 43 3HG GLU 43 -6.219 -3.112 -8.512 328 H LEU 44 H LEU 44 -5.719 -3.596 -6.196 329 HA LEU 44 HA LEU 44 -4.034 -5.525 -7.433 330 HB2 LEU 44 2HB LEU 44 -3.380 -3.151 -6.872 331 HB3 LEU 44 3HB LEU 44 -3.297 -3.613 -5.182 332 HG LEU 44 HG LEU 44 -1.436 -5.192 -5.715 333 HD11 LEU 44 1HD1 LEU 44 -1.964 -5.771 -8.001 334 HD12 LEU 44 2HD1 LEU 44 -0.342 -5.089 -7.932 335 HD13 LEU 44 3HD1 LEU 44 -1.678 -4.113 -8.539 336 HD21 LEU 44 3HD2 LEU 44 -0.914 -2.342 -6.648 337 HD22 LEU 44 1HD2 LEU 44 0.306 -3.495 -6.094 338 HD23 LEU 44 2HD2 LEU 44 -0.915 -2.899 -4.972 339 H LYS 45 H LYS 45 -5.391 -5.200 -4.249 340 HA LYS 45 HA LYS 45 -4.283 -7.034 -2.600 341 HB2 LYS 45 2HB LYS 45 -6.280 -5.624 -2.134 342 HB3 LYS 45 3HB LYS 45 -7.256 -6.641 -3.180 343 HG2 LYS 45 2HG LYS 45 -6.896 -8.544 -1.598 344 HG3 LYS 45 3HG LYS 45 -5.977 -7.458 -0.555 345 HD2 LYS 45 2HD LYS 45 -8.254 -7.669 0.310 346 HD3 LYS 45 3HD LYS 45 -8.004 -6.026 -0.282 347 HE2 LYS 45 2HE LYS 45 -9.214 -6.578 -2.358 348 HE3 LYS 45 3HE LYS 45 -9.434 -8.238 -1.800 349 HZ1 LYS 45 3HZ LYS 45 -10.736 -7.387 0.066 350 HZ2 LYS 45 1HZ LYS 45 -11.421 -6.935 -1.412 351 HZ3 LYS 45 2HZ LYS 45 -10.555 -5.804 -0.499 352 H ASP 46 H ASP 46 -6.506 -7.730 -5.264 353 HA ASP 46 HA ASP 46 -6.740 -10.547 -4.868 354 HB2 ASP 46 2HB ASP 46 -8.499 -9.217 -5.989 355 HB3 ASP 46 3HB ASP 46 -7.389 -8.830 -7.293 356 H TYR 47 H TYR 47 -4.836 -8.522 -7.120 357 HA TYR 47 HA TYR 47 -3.751 -10.586 -8.723 358 HB2 TYR 47 2HB TYR 47 -2.695 -7.797 -8.111 359 HB3 TYR 47 3HB TYR 47 -1.969 -8.858 -9.310 360 HD1 TYR 47 HD2 TYR 47 -4.916 -6.749 -8.546 361 HD2 TYR 47 HD1 TYR 47 -3.073 -9.258 -11.483 362 HE1 TYR 47 HE2 TYR 47 -6.425 -5.854 -10.266 363 HE2 TYR 47 HE1 TYR 47 -4.597 -8.363 -13.191 364 HH TYR 47 HH TYR 47 -6.794 -7.293 -13.317 365 H ILE 48 H ILE 48 -2.599 -9.075 -5.759 366 HA ILE 48 HA ILE 48 -0.021 -10.255 -5.618 367 HB ILE 48 HB ILE 48 -1.811 -9.074 -3.436 368 HG12 ILE 48 2HG1 ILE 48 0.621 -7.845 -4.833 369 HG13 ILE 48 3HG1 ILE 48 -1.049 -7.493 -5.261 370 HG21 ILE 48 1HG2 ILE 48 -0.204 -10.607 -2.386 371 HG22 ILE 48 2HG2 ILE 48 0.214 -8.936 -2.009 372 HG23 ILE 48 3HG2 ILE 48 1.130 -9.818 -3.233 373 HD11 ILE 48 3HD1 ILE 48 -0.152 -5.730 -3.911 374 HD12 ILE 48 1HD1 ILE 48 0.291 -6.865 -2.636 375 HD13 ILE 48 2HD1 ILE 48 -1.410 -6.572 -3.008 376 H LYS 49 H LYS 49 -3.170 -11.120 -4.111 377 HA LYS 49 HA LYS 49 -2.136 -13.442 -2.764 378 HB2 LYS 49 2HB LYS 49 -4.089 -12.057 -1.965 379 HB3 LYS 49 3HB LYS 49 -5.058 -12.741 -3.261 380 HG2 LYS 49 2HG LYS 49 -4.811 -14.986 -2.337 381 HG3 LYS 49 3HG LYS 49 -3.700 -14.393 -1.100 382 HD2 LYS 49 2HD LYS 49 -5.518 -13.065 -0.090 383 HD3 LYS 49 3HD LYS 49 -6.635 -13.623 -1.341 384 HE2 LYS 49 2HE LYS 49 -6.883 -14.848 0.802 385 HE3 LYS 49 3HE LYS 49 -6.451 -15.913 -0.535 386 HZ1 LYS 49 3HZ LYS 49 -5.227 -16.329 1.572 387 HZ2 LYS 49 1HZ LYS 49 -4.489 -14.821 1.403 388 HZ3 LYS 49 2HZ LYS 49 -4.222 -16.022 0.248 389 H LYS 50 H LYS 50 -3.466 -12.880 -5.907 390 HA LYS 50 HA LYS 50 -4.344 -15.463 -6.657 391 HB2 LYS 50 2HB LYS 50 -4.618 -13.218 -7.927 392 HB3 LYS 50 3HB LYS 50 -2.975 -13.448 -8.506 393 HG2 LYS 50 2HG LYS 50 -4.460 -14.185 -10.236 394 HG3 LYS 50 3HG LYS 50 -3.722 -15.629 -9.540 395 HD2 LYS 50 2HD LYS 50 -6.118 -15.994 -9.943 396 HD3 LYS 50 3HD LYS 50 -5.780 -16.033 -8.211 397 HE2 LYS 50 2HE LYS 50 -6.600 -13.711 -7.996 398 HE3 LYS 50 3HE LYS 50 -6.919 -13.654 -9.731 399 HZ1 LYS 50 3HZ LYS 50 -8.938 -14.094 -8.528 400 HZ2 LYS 50 1HZ LYS 50 -8.249 -15.430 -7.750 401 HZ3 LYS 50 2HZ LYS 50 -8.521 -15.469 -9.417 402 H GLN 51 H GLN 51 -1.249 -13.950 -6.436 403 HA GLN 51 HA GLN 51 0.269 -16.366 -7.252 404 HB2 GLN 51 2HB GLN 51 1.024 -13.401 -7.423 405 HB3 GLN 51 3HB GLN 51 2.011 -14.746 -7.995 406 HG2 GLN 51 2HG GLN 51 0.554 -15.203 -9.811 407 HG3 GLN 51 3HG GLN 51 -0.756 -14.247 -9.106 408 HE21 GLN 51 1HE2 GLN 51 -0.750 -11.997 -9.379 409 HE22 GLN 51 2HE2 GLN 51 0.331 -11.204 -10.467 410 H GLY 52 H GLY 52 2.754 -15.112 -6.141 411 HA2 GLY 52 2HA GLY 52 3.669 -14.273 -4.143 412 HA3 GLY 52 3HA GLY 52 2.135 -14.509 -3.325 413 H CYS 53 H CYS 53 5.077 -16.044 -4.465 414 HA CYS 53 HA CYS 53 4.629 -18.584 -3.147 415 HB2 CYS 53 2HB CYS 53 7.095 -18.928 -3.709 416 HB3 CYS 53 3HB CYS 53 6.042 -18.609 -5.082 417 H LYS 54 H LYS 54 5.949 -15.500 -2.307 418 HA LYS 54 HA LYS 54 6.212 -16.300 0.526 419 HB2 LYS 54 2HB LYS 54 8.054 -14.466 -1.093 420 HB3 LYS 54 3HB LYS 54 8.028 -14.467 0.666 421 HG2 LYS 54 2HG LYS 54 8.736 -16.838 0.681 422 HG3 LYS 54 3HG LYS 54 8.761 -16.839 -1.085 423 HD2 LYS 54 2HD LYS 54 10.582 -15.207 -1.111 424 HD3 LYS 54 3HD LYS 54 10.486 -15.019 0.643 425 HE2 LYS 54 2HE LYS 54 12.387 -16.437 0.007 426 HE3 LYS 54 3HE LYS 54 11.211 -17.356 0.947 427 HZ1 LYS 54 3HZ LYS 54 12.022 -18.627 -0.931 428 HZ2 LYS 54 1HZ LYS 54 11.517 -17.425 -2.009 429 HZ3 LYS 54 2HZ LYS 54 10.377 -18.299 -1.124 430 H ARG 55 H ARG 55 6.618 -13.508 1.363 431 HA ARG 55 HA ARG 55 3.903 -12.472 0.835 432 HB2 ARG 55 2HB ARG 55 3.984 -11.295 2.859 433 HB3 ARG 55 3HB ARG 55 4.822 -12.783 3.243 434 HG2 ARG 55 2HG ARG 55 6.282 -10.220 2.555 435 HG3 ARG 55 3HG ARG 55 5.774 -10.613 4.190 436 HD2 ARG 55 2HD ARG 55 7.171 -12.686 4.074 437 HD3 ARG 55 3HD ARG 55 7.750 -12.158 2.488 438 HE ARG 55 HE ARG 55 8.320 -10.019 3.955 439 HH11 ARG 55 1HH1 ARG 55 8.994 -13.396 4.706 440 HH12 ARG 55 2HH1 ARG 55 10.397 -13.014 5.652 441 HH21 ARG 55 1HH2 ARG 55 10.119 -9.542 5.196 442 HH22 ARG 55 2HH2 ARG 55 11.036 -10.822 5.933 443 H SER 56 H SER 56 3.563 -10.277 0.277 444 HA SER 56 HA SER 56 5.667 -9.182 -1.468 445 HB2 SER 56 2HB SER 56 2.665 -8.669 -1.445 446 HB3 SER 56 3HB SER 56 3.812 -8.071 -2.653 447 HG SER 56 HG SER 56 2.852 -9.955 -3.415 448 H ARG 57 H ARG 57 6.169 -7.003 -1.498 449 HA ARG 57 HA ARG 57 5.669 -5.457 0.988 450 HB2 ARG 57 2HB ARG 57 8.063 -6.019 0.343 451 HB3 ARG 57 3HB ARG 57 7.845 -5.090 -1.133 452 HG2 ARG 57 2HG ARG 57 7.229 -3.118 0.519 453 HG3 ARG 57 3HG ARG 57 8.067 -4.109 1.715 454 HD2 ARG 57 2HD ARG 57 9.658 -2.538 0.820 455 HD3 ARG 57 3HD ARG 57 10.073 -4.121 0.160 456 HE ARG 57 HE ARG 57 8.883 -3.421 -1.905 457 HH11 ARG 57 1HH1 ARG 57 10.183 -0.900 0.203 458 HH12 ARG 57 2HH1 ARG 57 10.306 0.258 -1.084 459 HH21 ARG 57 1HH2 ARG 57 9.048 -1.889 -3.554 460 HH22 ARG 57 2HH2 ARG 57 9.664 -0.302 -3.208 461 H THR 58 H THR 58 4.906 -3.280 0.809 462 HA THR 58 HA THR 58 4.899 -2.034 -1.858 463 HB THR 58 HB THR 58 2.493 -1.997 0.022 464 HG1 THR 58 HG1 THR 58 1.542 -2.784 -2.071 465 HG21 THR 58 3HG2 THR 58 1.388 -0.575 -1.691 466 HG22 THR 58 1HG2 THR 58 2.906 -0.476 -2.589 467 HG23 THR 58 2HG2 THR 58 2.779 0.243 -0.983 468 H SER 59 H SER 59 5.780 -0.064 -1.796 469 HA SER 59 HA SER 59 5.867 1.465 0.735 470 HB2 SER 59 2HB SER 59 8.104 0.662 -0.157 471 HB3 SER 59 3HB SER 59 7.832 1.635 -1.601 472 HG SER 59 HG SER 59 8.719 3.153 -0.472 473 H ILE 60 H ILE 60 4.572 3.205 0.668 474 HA ILE 60 HA ILE 60 3.692 4.325 -1.939 475 HB ILE 60 HB ILE 60 2.216 4.248 0.746 476 HG12 ILE 60 2HG1 ILE 60 1.630 2.889 -1.928 477 HG13 ILE 60 3HG1 ILE 60 2.077 2.101 -0.419 478 HG21 ILE 60 1HG2 ILE 60 1.788 6.396 -0.374 479 HG22 ILE 60 2HG2 ILE 60 0.343 5.388 -0.377 480 HG23 ILE 60 3HG2 ILE 60 1.308 5.548 -1.846 481 HD11 ILE 60 3HD1 ILE 60 -0.510 3.546 -0.986 482 HD12 ILE 60 1HD1 ILE 60 -0.059 2.841 0.571 483 HD13 ILE 60 2HD1 ILE 60 -0.264 1.807 -0.843 484 H THR 61 H THR 61 3.779 6.515 -2.241 485 HA THR 61 HA THR 61 5.812 8.018 -1.076 486 HB THR 61 HB THR 61 3.414 8.964 -2.710 487 HG1 THR 61 HG1 THR 61 6.004 8.063 -3.517 488 HG21 THR 61 3HG2 THR 61 4.663 10.864 -1.721 489 HG22 THR 61 1HG2 THR 61 4.864 10.788 -3.472 490 HG23 THR 61 2HG2 THR 61 6.157 10.227 -2.411 491 H ALA 62 H ALA 62 5.776 8.564 1.031 492 HA ALA 62 HA ALA 62 3.421 9.772 2.327 493 HB1 ALA 62 3HB ALA 62 4.538 7.935 3.519 494 HB2 ALA 62 1HB ALA 62 4.660 9.443 4.430 495 HB3 ALA 62 2HB ALA 62 6.051 8.839 3.524 496 H ARG 63 H ARG 63 3.348 11.848 1.655 497 HA ARG 63 HA ARG 63 5.570 13.619 1.348 498 HB2 ARG 63 2HB ARG 63 2.582 14.181 1.614 499 HB3 ARG 63 3HB ARG 63 3.778 15.383 1.145 500 HG2 ARG 63 2HG ARG 63 3.168 12.844 -0.410 501 HG3 ARG 63 3HG ARG 63 2.534 14.446 -0.797 502 HD2 ARG 63 2HD ARG 63 4.784 15.276 -1.234 503 HD3 ARG 63 3HD ARG 63 5.489 13.749 -0.702 504 HE ARG 63 HE ARG 63 3.696 13.345 -2.876 505 HH11 ARG 63 1HH1 ARG 63 6.934 14.547 -2.144 506 HH12 ARG 63 2HH1 ARG 63 7.556 14.167 -3.720 507 HH21 ARG 63 1HH2 ARG 63 4.560 12.772 -4.902 508 HH22 ARG 63 2HH2 ARG 63 6.210 13.158 -5.283 509 H THR 64 H THR 64 3.291 12.942 3.929 510 HA THR 64 HA THR 64 4.989 14.316 5.916 511 HB THR 64 HB THR 64 2.915 14.999 7.185 512 HG1 THR 64 HG1 THR 64 1.168 14.922 5.110 513 HG21 THR 64 3HG2 THR 64 2.273 16.932 5.809 514 HG22 THR 64 1HG2 THR 64 3.024 16.198 4.393 515 HG23 THR 64 2HG2 THR 64 4.021 16.697 5.762 516 H LYS 65 H LYS 65 4.270 13.525 8.210 517 HA LYS 65 HA LYS 65 4.186 10.725 8.461 518 HB2 LYS 65 2HB LYS 65 3.469 11.120 10.849 519 HB3 LYS 65 3HB LYS 65 4.909 12.009 10.370 520 HG2 LYS 65 2HG LYS 65 3.700 14.090 10.239 521 HG3 LYS 65 3HG LYS 65 2.149 13.265 10.391 522 HD2 LYS 65 2HD LYS 65 2.912 14.455 12.481 523 HD3 LYS 65 3HD LYS 65 2.539 12.745 12.700 524 HE2 LYS 65 2HE LYS 65 4.580 13.406 13.918 525 HE3 LYS 65 3HE LYS 65 4.925 12.196 12.685 526 HZ1 LYS 65 3HZ LYS 65 5.515 15.102 12.582 527 HZ2 LYS 65 1HZ LYS 65 5.622 14.093 11.228 528 HZ3 LYS 65 2HZ LYS 65 6.615 13.819 12.566 529 H LYS 66 H LYS 66 1.613 13.109 8.148 530 HA LYS 66 HA LYS 66 -0.620 11.541 8.839 531 HB2 LYS 66 2HB LYS 66 -0.214 14.083 7.284 532 HB3 LYS 66 3HB LYS 66 -1.747 13.255 7.048 533 HG2 LYS 66 2HG LYS 66 -1.955 14.993 8.741 534 HG3 LYS 66 3HG LYS 66 -2.222 13.403 9.454 535 HD2 LYS 66 2HD LYS 66 0.016 13.434 10.450 536 HD3 LYS 66 3HD LYS 66 0.386 14.963 9.643 537 HE2 LYS 66 2HE LYS 66 -1.420 16.072 10.953 538 HE3 LYS 66 3HE LYS 66 -1.752 14.543 11.771 539 HZ1 LYS 66 3HZ LYS 66 0.445 14.577 12.716 540 HZ2 LYS 66 1HZ LYS 66 -0.345 16.023 13.087 541 HZ3 LYS 66 2HZ LYS 66 0.840 15.996 11.883 542 H GLU 67 H GLU 67 0.969 12.059 5.672 543 HA GLU 67 HA GLU 67 -0.773 10.480 4.094 544 HB2 GLU 67 2HB GLU 67 2.203 10.897 3.599 545 HB3 GLU 67 3HB GLU 67 1.002 10.431 2.402 546 HG2 GLU 67 2HG GLU 67 1.201 13.094 3.816 547 HG3 GLU 67 3HG GLU 67 1.658 12.755 2.153 548 H ALA 68 H ALA 68 2.169 9.765 5.851 549 HA ALA 68 HA ALA 68 2.638 7.128 5.078 550 HB1 ALA 68 3HB ALA 68 4.283 8.594 6.216 551 HB2 ALA 68 1HB ALA 68 4.132 7.025 7.005 552 HB3 ALA 68 2HB ALA 68 3.366 8.447 7.716 553 H GLU 69 H GLU 69 0.773 8.394 7.852 554 HA GLU 69 HA GLU 69 0.371 5.737 8.963 555 HB2 GLU 69 2HB GLU 69 -0.757 6.909 10.826 556 HB3 GLU 69 3HB GLU 69 0.824 7.595 10.478 557 HG2 GLU 69 2HG GLU 69 -0.368 9.396 9.135 558 HG3 GLU 69 3HG GLU 69 -1.874 8.767 9.783 559 H LYS 70 H LYS 70 -1.548 8.041 7.080 560 HA LYS 70 HA LYS 70 -4.081 6.763 7.566 561 HB2 LYS 70 2HB LYS 70 -5.037 8.257 5.939 562 HB3 LYS 70 3HB LYS 70 -3.867 9.170 6.880 563 HG2 LYS 70 2HG LYS 70 -2.231 8.938 5.000 564 HG3 LYS 70 3HG LYS 70 -3.478 8.124 4.054 565 HD2 LYS 70 2HD LYS 70 -4.902 10.211 4.258 566 HD3 LYS 70 3HD LYS 70 -3.535 11.002 5.053 567 HE2 LYS 70 2HE LYS 70 -2.160 10.500 2.984 568 HE3 LYS 70 3HE LYS 70 -3.644 9.944 2.215 569 HZ1 LYS 70 3HZ LYS 70 -3.139 12.671 3.249 570 HZ2 LYS 70 1HZ LYS 70 -4.575 12.149 2.525 571 HZ3 LYS 70 2HZ LYS 70 -3.143 12.211 1.626 572 H PHE 71 H PHE 71 -1.576 6.495 5.076 573 HA PHE 71 HA PHE 71 -3.066 4.473 3.587 574 HB2 PHE 71 2HB PHE 71 -0.359 5.707 3.141 575 HB3 PHE 71 3HB PHE 71 -1.033 4.432 2.122 576 HD1 PHE 71 HD1 PHE 71 -3.955 6.159 2.758 577 HD2 PHE 71 HD2 PHE 71 -0.249 6.706 0.870 578 HE1 PHE 71 HE1 PHE 71 -4.974 7.850 1.276 579 HE2 PHE 71 HE2 PHE 71 -1.211 8.426 -0.595 580 HZ PHE 71 HZ PHE 71 -3.586 8.997 -0.418 581 H ALA 72 H ALA 72 -0.622 4.569 6.078 582 HA ALA 72 HA ALA 72 0.219 1.866 5.986 583 HB1 ALA 72 3HB ALA 72 1.266 3.513 7.510 584 HB2 ALA 72 1HB ALA 72 0.712 2.090 8.396 585 HB3 ALA 72 2HB ALA 72 -0.216 3.592 8.460 586 H ALA 73 H ALA 73 -2.604 3.488 7.388 587 HA ALA 73 HA ALA 73 -3.865 1.277 8.586 588 HB1 ALA 73 3HB ALA 73 -4.527 3.599 9.047 589 HB2 ALA 73 1HB ALA 73 -5.921 2.654 8.524 590 HB3 ALA 73 2HB ALA 73 -5.141 3.775 7.403 591 H ILE 74 H ILE 74 -4.024 2.550 5.261 592 HA ILE 74 HA ILE 74 -5.972 0.786 4.199 593 HB ILE 74 HB ILE 74 -3.677 2.226 2.747 594 HG12 ILE 74 2HG1 ILE 74 -6.635 2.958 3.112 595 HG13 ILE 74 3HG1 ILE 74 -5.265 3.778 3.854 596 HG21 ILE 74 1HG2 ILE 74 -4.998 1.817 0.669 597 HG22 ILE 74 2HG2 ILE 74 -6.147 0.844 1.589 598 HG23 ILE 74 3HG2 ILE 74 -4.478 0.303 1.414 599 HD11 ILE 74 3HD1 ILE 74 -4.490 4.478 1.622 600 HD12 ILE 74 1HD1 ILE 74 -6.115 5.060 2.012 601 HD13 ILE 74 2HD1 ILE 74 -5.919 3.696 0.914 602 H LEU 75 H LEU 75 -2.422 0.654 3.839 603 HA LEU 75 HA LEU 75 -2.180 -1.782 2.560 604 HB2 LEU 75 2HB LEU 75 -0.254 -0.340 4.403 605 HB3 LEU 75 3HB LEU 75 0.207 -1.731 3.441 606 HG LEU 75 HG LEU 75 -0.782 0.906 2.283 607 HD11 LEU 75 1HD1 LEU 75 1.419 1.177 3.363 608 HD12 LEU 75 2HD1 LEU 75 1.527 1.344 1.615 609 HD13 LEU 75 3HD1 LEU 75 2.068 -0.148 2.391 610 HD21 LEU 75 3HD2 LEU 75 -0.019 -0.002 0.128 611 HD22 LEU 75 1HD2 LEU 75 -1.294 -0.988 0.838 612 HD23 LEU 75 2HD2 LEU 75 0.383 -1.536 0.905 613 H ILE 76 H ILE 76 -2.232 -1.194 6.090 614 HA ILE 76 HA ILE 76 -1.639 -3.828 6.948 615 HB ILE 76 HB ILE 76 -2.741 -1.367 8.271 616 HG12 ILE 76 2HG1 ILE 76 -1.064 -1.983 10.052 617 HG13 ILE 76 3HG1 ILE 76 -0.680 -3.440 9.142 618 HG21 ILE 76 1HG2 ILE 76 -3.409 -2.487 10.377 619 HG22 ILE 76 2HG2 ILE 76 -3.260 -4.054 9.582 620 HG23 ILE 76 3HG2 ILE 76 -4.478 -2.905 9.032 621 HD11 ILE 76 3HD1 ILE 76 0.982 -1.751 8.783 622 HD12 ILE 76 1HD1 ILE 76 -0.245 -0.599 8.257 623 HD13 ILE 76 2HD1 ILE 76 0.100 -2.031 7.284 624 H LYS 77 H LYS 77 -4.764 -2.212 6.292 625 HA LYS 77 HA LYS 77 -6.390 -4.414 7.153 626 HB2 LYS 77 2HB LYS 77 -7.020 -1.894 5.575 627 HB3 LYS 77 3HB LYS 77 -8.254 -3.065 6.016 628 HG2 LYS 77 2HG LYS 77 -7.731 -2.697 8.424 629 HG3 LYS 77 3HG LYS 77 -6.514 -1.506 7.954 630 HD2 LYS 77 2HD LYS 77 -8.559 -0.348 8.627 631 HD3 LYS 77 3HD LYS 77 -8.301 -0.121 6.897 632 HE2 LYS 77 2HE LYS 77 -9.994 -1.809 6.382 633 HE3 LYS 77 3HE LYS 77 -10.185 -2.183 8.099 634 HZ1 LYS 77 3HZ LYS 77 -10.887 0.371 6.748 635 HZ2 LYS 77 1HZ LYS 77 -10.936 0.134 8.422 636 HZ3 LYS 77 2HZ LYS 77 -11.953 -0.756 7.415 637 H VAL 78 H VAL 78 -5.132 -3.383 4.026 638 HA VAL 78 HA VAL 78 -6.688 -5.032 2.320 639 HB VAL 78 HB VAL 78 -3.895 -3.822 1.933 640 HG11 VAL 78 1HG1 VAL 78 -4.139 -5.737 0.410 641 HG12 VAL 78 2HG1 VAL 78 -4.167 -4.223 -0.492 642 HG13 VAL 78 3HG1 VAL 78 -5.670 -5.094 -0.183 643 HG21 VAL 78 3HG2 VAL 78 -5.047 -2.125 0.568 644 HG22 VAL 78 1HG2 VAL 78 -5.699 -2.162 2.205 645 HG23 VAL 78 2HG2 VAL 78 -6.600 -2.904 0.884 646 H TYR 79 H TYR 79 -3.481 -5.453 3.805 647 HA TYR 79 HA TYR 79 -3.121 -8.108 2.689 648 HB2 TYR 79 2HB TYR 79 -1.336 -6.498 4.548 649 HB3 TYR 79 3HB TYR 79 -0.886 -8.007 3.750 650 HD1 TYR 79 HD1 TYR 79 -2.388 -7.197 1.066 651 HD2 TYR 79 HD2 TYR 79 0.511 -5.260 3.483 652 HE1 TYR 79 HE1 TYR 79 -1.620 -5.955 -0.885 653 HE2 TYR 79 HE2 TYR 79 1.308 -3.990 1.519 654 HH TYR 79 HH TYR 79 1.250 -4.368 -1.016 655 H ALA 80 H ALA 80 -4.336 -6.782 5.612 656 HA ALA 80 HA ALA 80 -4.065 -8.889 7.441 657 HB1 ALA 80 3HB ALA 80 -6.086 -7.971 8.534 658 HB2 ALA 80 1HB ALA 80 -6.416 -6.988 7.102 659 HB3 ALA 80 2HB ALA 80 -4.973 -6.686 8.068 660 H GLU 81 H GLU 81 -6.369 -8.327 4.849 661 HA GLU 81 HA GLU 81 -8.021 -10.619 5.318 662 HB2 GLU 81 2HB GLU 81 -7.724 -9.049 2.722 663 HB3 GLU 81 3HB GLU 81 -9.095 -10.032 3.216 664 HG2 GLU 81 2HG GLU 81 -8.232 -7.380 4.396 665 HG3 GLU 81 3HG GLU 81 -9.658 -7.688 3.414 666 H LEU 82 H LEU 82 -5.118 -9.960 3.459 667 HA LEU 82 HA LEU 82 -5.245 -12.262 1.749 668 HB2 LEU 82 2HB LEU 82 -2.865 -10.477 2.407 669 HB3 LEU 82 3HB LEU 82 -2.918 -11.667 1.115 670 HG LEU 82 HG LEU 82 -4.410 -9.034 1.283 671 HD11 LEU 82 1HD1 LEU 82 -3.297 -8.597 -0.881 672 HD12 LEU 82 2HD1 LEU 82 -2.466 -10.151 -0.763 673 HD13 LEU 82 3HD1 LEU 82 -2.140 -8.875 0.425 674 HD21 LEU 82 3HD2 LEU 82 -6.079 -10.540 0.511 675 HD22 LEU 82 1HD2 LEU 82 -4.963 -11.335 -0.593 676 HD23 LEU 82 2HD2 LEU 82 -5.478 -9.682 -0.902 677 H GLY 83 H GLY 83 -3.960 -11.681 4.951 678 HA2 GLY 83 2HA GLY 83 -3.135 -14.511 5.154 679 HA3 GLY 83 3HA GLY 83 -1.931 -13.267 5.489 680 H TYR 84 H TYR 84 -1.651 -13.450 7.658 681 HA TYR 84 HA TYR 84 -3.848 -13.565 9.533 682 HB2 TYR 84 2HB TYR 84 -1.413 -14.437 9.904 683 HB3 TYR 84 3HB TYR 84 -0.982 -12.756 10.200 684 HD1 TYR 84 HD1 TYR 84 -2.843 -15.677 11.507 685 HD2 TYR 84 HD2 TYR 84 -1.777 -11.610 12.213 686 HE1 TYR 84 HE1 TYR 84 -3.663 -15.862 13.813 687 HE2 TYR 84 HE2 TYR 84 -2.593 -11.794 14.502 688 HH TYR 84 HH TYR 84 -4.173 -13.162 15.807 689 H ASN 85 H ASN 85 -4.522 -11.818 10.877 690 HA ASN 85 HA ASN 85 -4.940 -9.427 9.437 691 HB2 ASN 85 2HB ASN 85 -6.612 -10.395 11.003 692 HB3 ASN 85 3HB ASN 85 -5.572 -9.996 12.365 693 HD21 ASN 85 1HD2 ASN 85 -5.537 -7.882 13.108 694 HD22 ASN 85 2HD2 ASN 85 -6.591 -6.647 12.524 695 H ASP 86 H ASP 86 -2.696 -10.242 11.992 696 HA ASP 86 HA ASP 86 -1.591 -7.631 12.397 697 HB2 ASP 86 2HB ASP 86 -1.294 -9.382 14.099 698 HB3 ASP 86 3HB ASP 86 -0.422 -10.403 12.958 699 H ILE 87 H ILE 87 -0.238 -6.553 11.078 700 HA ILE 87 HA ILE 87 1.231 -7.956 8.917 701 HB ILE 87 HB ILE 87 -0.347 -5.334 8.639 702 HG12 ILE 87 2HG1 ILE 87 -1.828 -7.320 8.653 703 HG13 ILE 87 3HG1 ILE 87 -1.792 -6.590 7.053 704 HG21 ILE 87 1HG2 ILE 87 0.252 -5.402 6.242 705 HG22 ILE 87 2HG2 ILE 87 1.263 -6.822 6.522 706 HG23 ILE 87 3HG2 ILE 87 1.691 -5.277 7.257 707 HD11 ILE 87 3HD1 ILE 87 -0.277 -9.071 7.893 708 HD12 ILE 87 1HD1 ILE 87 -0.272 -8.352 6.279 709 HD13 ILE 87 2HD1 ILE 87 -1.760 -9.024 6.944 710 H ASN 88 H ASN 88 3.175 -6.840 8.184 711 HA ASN 88 HA ASN 88 4.584 -5.535 10.388 712 HB2 ASN 88 2HB ASN 88 5.525 -6.520 7.644 713 HB3 ASN 88 3HB ASN 88 6.590 -5.804 8.849 714 HD21 ASN 88 1HD2 ASN 88 6.624 -8.488 7.629 715 HD22 ASN 88 2HD2 ASN 88 6.547 -9.599 8.952 716 H VAL 89 H VAL 89 4.396 -3.360 10.539 717 HA VAL 89 HA VAL 89 4.275 -1.687 8.092 718 HB VAL 89 HB VAL 89 2.335 -1.397 9.554 719 HG11 VAL 89 1HG1 VAL 89 2.437 -0.458 11.812 720 HG12 VAL 89 2HG1 VAL 89 4.201 -0.492 11.766 721 HG13 VAL 89 3HG1 VAL 89 3.291 -2.003 11.734 722 HG21 VAL 89 3HG2 VAL 89 2.346 1.053 9.766 723 HG22 VAL 89 1HG2 VAL 89 3.110 0.549 8.256 724 HG23 VAL 89 2HG2 VAL 89 4.104 1.075 9.616 725 H THR 90 H THR 90 5.943 -0.421 7.628 726 HA THR 90 HA THR 90 7.862 0.472 9.695 727 HB THR 90 HB THR 90 8.575 -0.571 6.895 728 HG1 THR 90 HG1 THR 90 8.470 -1.749 9.388 729 HG21 THR 90 3HG2 THR 90 10.930 -0.250 7.537 730 HG22 THR 90 1HG2 THR 90 10.433 0.426 9.098 731 HG23 THR 90 2HG2 THR 90 10.075 1.288 7.602 732 H TRP 91 H TRP 91 8.449 2.615 9.427 733 HA TRP 91 HA TRP 91 7.360 4.111 7.099 734 HB2 TRP 91 2HB TRP 91 7.883 5.098 9.951 735 HB3 TRP 91 3HB TRP 91 7.341 6.105 8.614 736 HD1 TRP 91 HD1 TRP 91 4.777 5.754 7.776 737 HE1 TRP 91 HE1 TRP 91 2.700 4.919 9.028 738 HE3 TRP 91 HE3 TRP 91 7.079 3.362 11.672 739 HZ2 TRP 91 HZ2 TRP 91 2.099 3.443 11.350 740 HZ3 TRP 91 HZ3 TRP 91 5.677 2.247 13.363 741 HH2 TRP 91 HH2 TRP 91 3.235 2.286 13.205 742 H ASP 92 H ASP 92 8.979 4.513 5.712 743 HA ASP 92 HA ASP 92 11.765 4.590 6.289 744 HB2 ASP 92 2HB ASP 92 11.085 4.021 4.053 745 HB3 ASP 92 3HB ASP 92 10.081 5.458 3.897 746 H GLY 93 H GLY 93 9.397 7.146 5.558 747 HA2 GLY 93 2HA GLY 93 9.730 9.227 7.045 748 HA3 GLY 93 3HA GLY 93 11.317 9.288 6.274 749 H ASP 94 H ASP 94 11.003 8.751 3.761 750 HA ASP 94 HA ASP 94 9.255 10.802 2.625 751 HB2 ASP 94 2HB ASP 94 11.280 8.925 1.321 752 HB3 ASP 94 3HB ASP 94 10.387 10.184 0.466 753 H THR 95 H THR 95 9.151 7.445 3.272 754 HA THR 95 HA THR 95 6.651 7.106 1.780 755 HB THR 95 HB THR 95 7.527 4.728 1.101 756 HG1 THR 95 HG1 THR 95 10.059 5.845 0.870 757 HG21 THR 95 3HG2 THR 95 7.019 6.439 -0.591 758 HG22 THR 95 1HG2 THR 95 8.466 5.531 -1.027 759 HG23 THR 95 2HG2 THR 95 8.615 7.158 -0.363 760 H VAL 96 H VAL 96 5.239 5.566 2.661 761 HA VAL 96 HA VAL 96 6.007 4.213 5.168 762 HB VAL 96 HB VAL 96 3.873 5.350 5.322 763 HG11 VAL 96 1HG1 VAL 96 1.897 4.851 3.945 764 HG12 VAL 96 2HG1 VAL 96 2.853 3.749 2.950 765 HG13 VAL 96 3HG1 VAL 96 3.221 5.473 2.952 766 HG21 VAL 96 3HG2 VAL 96 4.078 3.218 6.533 767 HG22 VAL 96 1HG2 VAL 96 3.411 2.348 5.148 768 HG23 VAL 96 2HG2 VAL 96 2.409 3.496 6.039 769 H THR 97 H THR 97 6.893 2.277 4.933 770 HA THR 97 HA THR 97 6.317 0.563 2.596 771 HB THR 97 HB THR 97 8.636 0.462 4.582 772 HG1 THR 97 HG1 THR 97 8.182 1.941 2.315 773 HG21 THR 97 3HG2 THR 97 9.691 -1.069 2.953 774 HG22 THR 97 1HG2 THR 97 8.220 -1.044 1.967 775 HG23 THR 97 2HG2 THR 97 8.196 -1.753 3.582 776 H VAL 98 H VAL 98 4.586 -0.682 3.146 777 HA VAL 98 HA VAL 98 4.650 -2.252 5.662 778 HB VAL 98 HB VAL 98 2.279 -1.508 3.887 779 HG11 VAL 98 1HG1 VAL 98 0.852 -2.662 5.546 780 HG12 VAL 98 2HG1 VAL 98 2.297 -3.239 6.382 781 HG13 VAL 98 3HG1 VAL 98 1.956 -3.778 4.737 782 HG21 VAL 98 3HG2 VAL 98 3.065 0.341 5.316 783 HG22 VAL 98 1HG2 VAL 98 2.929 -0.690 6.744 784 HG23 VAL 98 2HG2 VAL 98 1.482 -0.234 5.843 785 H GLU 99 H GLU 99 5.028 -4.326 5.471 786 HA GLU 99 HA GLU 99 4.765 -5.738 2.878 787 HB2 GLU 99 2HB GLU 99 7.142 -5.196 3.536 788 HB3 GLU 99 3HB GLU 99 6.918 -6.116 5.020 789 HG2 GLU 99 2HG GLU 99 6.657 -8.176 3.762 790 HG3 GLU 99 3HG GLU 99 6.692 -7.301 2.232 791 H GLY 100 H GLY 100 4.228 -8.009 3.096 792 HA2 GLY 100 2HA GLY 100 2.243 -8.666 4.978 793 HA3 GLY 100 3HA GLY 100 3.075 -9.807 3.925 794 H GLN 101 H GLN 101 2.296 -10.571 6.438 795 HA GLN 101 HA GLN 101 4.752 -10.544 8.120 796 HB2 GLN 101 2HB GLN 101 2.815 -9.122 8.893 797 HB3 GLN 101 3HB GLN 101 1.834 -10.565 9.015 798 HG2 GLN 101 2HG GLN 101 4.364 -10.203 10.625 799 HG3 GLN 101 3HG GLN 101 2.805 -9.586 11.169 800 HE21 GLN 101 1HE2 GLN 101 1.098 -11.134 11.543 801 HE22 GLN 101 2HE2 GLN 101 1.490 -12.747 12.034 802 H LEU 102 H LEU 102 5.638 -12.492 7.781 803 HA LEU 102 HA LEU 102 4.128 -14.958 7.431 804 HB2 LEU 102 2HB LEU 102 6.198 -14.516 6.130 805 HB3 LEU 102 3HB LEU 102 7.124 -14.376 7.613 806 HG LEU 102 HG LEU 102 6.676 -16.813 8.073 807 HD11 LEU 102 1HD1 LEU 102 5.824 -18.266 6.299 808 HD12 LEU 102 2HD1 LEU 102 5.476 -16.861 5.290 809 HD13 LEU 102 3HD1 LEU 102 4.604 -17.099 6.806 810 HD21 LEU 102 3HD2 LEU 102 8.290 -17.675 6.434 811 HD22 LEU 102 1HD2 LEU 102 8.782 -16.087 7.023 812 HD23 LEU 102 2HD2 LEU 102 8.055 -16.246 5.423 813 H GLU 103 H GLU 103 3.159 -15.653 9.294 814 HA GLU 103 HA GLU 103 4.519 -15.304 11.886 815 HB2 GLU 103 2HB GLU 103 2.197 -14.409 11.614 816 HB3 GLU 103 3HB GLU 103 1.609 -16.048 11.359 817 HG2 GLU 103 2HG GLU 103 2.285 -16.678 13.635 818 HG3 GLU 103 3HG GLU 103 2.993 -15.083 13.889 819 H GLY 104 H GLY 104 5.820 -16.963 12.315 820 HA2 GLY 104 2HA GLY 104 4.655 -19.709 12.387 821 HA3 GLY 104 3HA GLY 104 6.339 -19.381 11.994 822 H VAL 105 H VAL 105 5.053 -17.297 14.376 823 HA VAL 105 HA VAL 105 6.045 -18.933 16.630 824 HB VAL 105 HB VAL 105 7.069 -16.936 17.684 825 HG11 VAL 105 1HG1 VAL 105 8.514 -18.413 16.374 826 HG12 VAL 105 2HG1 VAL 105 9.085 -16.748 16.285 827 HG13 VAL 105 3HG1 VAL 105 8.218 -17.459 14.919 828 HG21 VAL 105 3HG2 VAL 105 5.729 -15.155 16.672 829 HG22 VAL 105 1HG2 VAL 105 6.449 -15.462 15.090 830 HG23 VAL 105 2HG2 VAL 105 7.442 -14.837 16.411 831 H ASP 106 H ASP 106 5.242 -18.236 18.715 832 HA ASP 106 HA ASP 106 2.906 -16.512 18.817 833 HB2 ASP 106 2HB ASP 106 1.462 -18.239 19.914 834 HB3 ASP 106 3HB ASP 106 1.816 -18.614 18.239
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