NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16115 | 1zg2 | 6717 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 6 H MET 6 0.379 -17.714 -5.013 2 HA MET 6 HA MET 6 -0.299 -16.021 -6.331 3 1HB MET 6 1HB MET 6 -1.777 -15.025 -3.891 4 2HB MET 6 1HB MET 6 -2.025 -14.470 -5.543 5 1HG MET 6 1HG MET 6 -2.534 -17.236 -4.477 6 2HG MET 6 1HG MET 6 -3.745 -16.042 -4.938 7 1HE MET 6 1HE MET 6 -3.996 -18.898 -6.024 8 2HE MET 6 2HE MET 6 -2.259 -19.208 -5.943 9 3HE MET 6 3HE MET 6 -3.104 -19.316 -7.489 10 H ASN 7 H ASN 7 -0.125 -13.614 -6.650 11 HA ASN 7 HA ASN 7 2.390 -12.791 -5.389 12 1HB ASN 7 1HB ASN 7 1.088 -11.738 -7.912 13 2HB ASN 7 1HB ASN 7 2.695 -11.334 -7.322 14 1HD2 ASN 7 1HD2 ASN 7 4.328 -12.906 -7.402 15 2HD2 ASN 7 2HD2 ASN 7 4.211 -14.280 -8.447 16 H HIS 8 H HIS 8 2.215 -11.384 -3.769 17 HA HIS 8 HA HIS 8 -0.112 -9.585 -3.732 18 1HB HIS 8 1HB HIS 8 1.718 -10.260 -1.426 19 2HB HIS 8 1HB HIS 8 0.179 -9.413 -1.349 20 HD1 HIS 8 HD1 HIS 8 1.533 -12.543 -0.571 21 HD2 HIS 8 HD2 HIS 8 -1.959 -11.345 -2.483 22 HE1 HIS 8 HE1 HIS 8 -0.041 -14.498 -0.391 23 HE2 HIS 8 HE2 HIS 8 -2.104 -13.803 -1.671 24 H TYR 9 H TYR 9 0.416 -7.703 -4.670 25 HA TYR 9 HA TYR 9 2.931 -6.408 -3.815 26 1HB TYR 9 1HB TYR 9 1.385 -5.990 -6.382 27 2HB TYR 9 1HB TYR 9 2.833 -5.113 -5.913 28 HD1 TYR 9 HD1 TYR 9 5.023 -6.236 -5.935 29 HD2 TYR 9 HD2 TYR 9 1.501 -8.208 -7.273 30 HE1 TYR 9 HE1 TYR 9 6.405 -7.918 -7.082 31 HE2 TYR 9 HE2 TYR 9 2.872 -9.897 -8.414 32 HH TYR 9 HH TYR 9 6.275 -10.148 -7.927 33 H VAL 10 H VAL 10 2.439 -4.923 -2.286 34 HA VAL 10 HA VAL 10 -0.101 -3.519 -2.379 35 HB VAL 10 HB VAL 10 2.213 -2.896 -0.539 36 1HG1 VAL 10 1HG1 VAL 10 0.540 -1.167 -0.662 37 2HG1 VAL 10 2HG1 VAL 10 0.417 -1.988 0.893 38 3HG1 VAL 10 3HG1 VAL 10 -0.745 -2.341 -0.384 39 1HG2 VAL 10 1HG2 VAL 10 -0.086 -4.759 0.056 40 2HG2 VAL 10 2HG2 VAL 10 1.238 -4.326 1.140 41 3HG2 VAL 10 3HG2 VAL 10 1.559 -5.280 -0.310 42 H TYR 11 H TYR 11 -0.338 -1.884 -3.752 43 HA TYR 11 HA TYR 11 2.006 -0.213 -4.326 44 1HB TYR 11 1HB TYR 11 0.741 0.556 -6.336 45 2HB TYR 11 1HB TYR 11 1.088 -1.167 -6.350 46 HD1 TYR 11 HD1 TYR 11 -0.678 -2.780 -6.358 47 HD2 TYR 11 HD2 TYR 11 -1.571 1.354 -5.908 48 HE1 TYR 11 HE1 TYR 11 -3.059 -3.255 -6.751 49 HE2 TYR 11 HE2 TYR 11 -3.952 0.890 -6.296 50 HH TYR 11 HH TYR 11 -5.362 -0.786 -7.326 51 H ILE 12 H ILE 12 2.010 1.893 -3.786 52 HA ILE 12 HA ILE 12 -0.549 3.018 -2.899 53 HB ILE 12 HB ILE 12 1.081 2.639 -1.018 54 1HG1 ILE 12 1HG1 ILE 12 0.323 5.517 -1.536 55 2HG1 ILE 12 1HG1 ILE 12 -0.760 4.284 -0.900 56 1HG2 ILE 12 1HG2 ILE 12 3.147 3.192 -2.181 57 2HG2 ILE 12 2HG2 ILE 12 2.934 4.187 -0.738 58 3HG2 ILE 12 3HG2 ILE 12 2.610 4.868 -2.331 59 1HD1 ILE 12 1HD1 ILE 12 1.753 5.274 0.434 60 2HD1 ILE 12 2HD1 ILE 12 0.638 4.068 1.081 61 3HD1 ILE 12 3HD1 ILE 12 0.105 5.735 0.857 62 H LEU 13 H LEU 13 -1.254 4.505 -4.188 63 HA LEU 13 HA LEU 13 0.673 5.852 -5.957 64 1HB LEU 13 1HB LEU 13 -2.241 5.202 -6.404 65 2HB LEU 13 1HB LEU 13 -1.234 6.100 -7.523 66 HG LEU 13 HG LEU 13 -0.748 3.231 -6.708 67 1HD1 LEU 13 1HD1 LEU 13 -2.804 3.463 -7.990 68 2HD1 LEU 13 2HD1 LEU 13 -1.546 2.686 -8.952 69 3HD1 LEU 13 3HD1 LEU 13 -1.942 4.384 -9.219 70 1HD2 LEU 13 1HD2 LEU 13 1.283 4.404 -7.355 71 2HD2 LEU 13 2HD2 LEU 13 0.504 4.960 -8.837 72 3HD2 LEU 13 3HD2 LEU 13 0.814 3.240 -8.595 73 H GLU 14 H GLU 14 0.870 7.970 -5.776 74 HA GLU 14 HA GLU 14 -0.865 9.468 -4.037 75 1HB GLU 14 1HB GLU 14 1.583 9.916 -4.244 76 2HB GLU 14 1HB GLU 14 1.303 10.472 -5.889 77 1HG GLU 14 1HG GLU 14 -0.049 12.291 -5.104 78 2HG GLU 14 1HG GLU 14 0.035 11.691 -3.448 79 H CYS 15 H CYS 15 -2.734 10.279 -4.639 80 HA CYS 15 HA CYS 15 -3.501 10.217 -7.419 81 1HB CYS 15 1HB CYS 15 -5.049 11.112 -4.976 82 2HB CYS 15 1HB CYS 15 -5.724 10.832 -6.577 83 HG CYS 15 HG CYS 15 -4.164 8.337 -4.849 84 H LYS 16 H LYS 16 -4.899 12.144 -8.162 85 HA LYS 16 HA LYS 16 -3.318 14.335 -8.702 86 1HB LYS 16 1HB LYS 16 -5.365 15.404 -9.502 87 2HB LYS 16 1HB LYS 16 -5.343 13.705 -9.959 88 1HG LYS 16 1HG LYS 16 -6.795 13.216 -8.007 89 2HG LYS 16 1HG LYS 16 -6.899 14.947 -7.699 90 1HD LYS 16 1HD LYS 16 -7.832 15.209 -10.009 91 2HD LYS 16 1HD LYS 16 -7.896 13.447 -10.113 92 1HE LYS 16 1HE LYS 16 -9.341 15.211 -8.138 93 2HE LYS 16 1HE LYS 16 -10.060 14.278 -9.448 94 1HZ LYS 16 1HZ LYS 16 -8.689 13.166 -7.048 95 2HZ LYS 16 2HZ LYS 16 -9.328 12.242 -8.322 96 3HZ LYS 16 3HZ LYS 16 -10.357 13.158 -7.342 97 H ASP 17 H ASP 17 -5.394 13.764 -5.959 98 HA ASP 17 HA ASP 17 -5.527 16.538 -5.185 99 1HB ASP 17 1HB ASP 17 -6.425 14.108 -3.627 100 2HB ASP 17 1HB ASP 17 -6.931 15.776 -3.377 101 H GLY 18 H GLY 18 -3.421 13.914 -4.599 102 1HA GLY 18 2HA GLY 18 -1.322 14.285 -3.490 103 2HA GLY 18 1HA GLY 18 -2.127 15.434 -2.433 104 H SER 19 H SER 19 -4.288 13.075 -2.619 105 HA SER 19 HA SER 19 -3.520 11.860 -0.132 106 1HB SER 19 1HB SER 19 -5.903 12.425 -0.822 107 2HB SER 19 1HB SER 19 -5.817 11.063 -1.935 108 HG SER 19 HG SER 19 -6.456 11.012 0.613 109 H TRP 20 H TRP 20 -2.721 9.816 0.179 110 HA TRP 20 HA TRP 20 -1.691 8.495 -2.192 111 1HB TRP 20 1HB TRP 20 -1.208 7.981 0.747 112 2HB TRP 20 1HB TRP 20 -0.464 7.061 -0.555 113 HD1 TRP 20 HD TRP 20 0.162 9.607 -2.447 114 HE1 TRP 20 HE1 TRP 20 2.124 11.151 -1.813 115 HE3 TRP 20 HE3 TRP 20 0.533 8.419 2.516 116 HZ2 TRP 20 HZ2 TRP 20 3.629 11.768 0.498 117 HZ3 TRP 20 HZ3 TRP 20 2.267 9.529 3.863 118 HH2 TRP 20 HH TRP 20 3.780 11.163 2.872 119 H TYR 21 H TYR 21 -2.550 6.790 -3.082 120 HA TYR 21 HA TYR 21 -4.946 5.633 -1.883 121 1HB TYR 21 1HB TYR 21 -4.993 6.455 -4.221 122 2HB TYR 21 1HB TYR 21 -3.739 5.297 -4.641 123 HD1 TYR 21 HD1 TYR 21 -7.268 5.658 -3.628 124 HD2 TYR 21 HD2 TYR 21 -4.270 3.022 -5.097 125 HE1 TYR 21 HE1 TYR 21 -9.001 4.006 -4.182 126 HE2 TYR 21 HE2 TYR 21 -5.994 1.360 -5.645 127 HH TYR 21 HH TYR 21 -9.315 2.101 -5.686 128 H THR 22 H THR 22 -4.762 3.841 -0.738 129 HA THR 22 HA THR 22 -2.393 2.158 -1.129 130 HB THR 22 HB THR 22 -4.270 2.219 1.243 131 HG1 THR 22 HG1 THR 22 -2.080 3.787 0.520 132 1HG2 THR 22 1HG2 THR 22 -1.517 1.017 0.860 133 2HG2 THR 22 2HG2 THR 22 -3.032 0.131 1.066 134 3HG2 THR 22 3HG2 THR 22 -2.385 1.095 2.394 135 H GLY 23 H GLY 23 -2.591 0.175 -1.921 136 1HA GLY 23 2HA GLY 23 -4.728 -1.575 -1.309 137 2HA GLY 23 1HA GLY 23 -4.941 -0.919 -2.928 138 H TYR 24 H TYR 24 -4.062 -3.651 -1.664 139 HA TYR 24 HA TYR 24 -1.641 -3.912 -3.293 140 1HB TYR 24 1HB TYR 24 -1.044 -5.836 -2.085 141 2HB TYR 24 1HB TYR 24 -1.639 -4.701 -0.888 142 HD1 TYR 24 HD1 TYR 24 -4.304 -5.026 -0.417 143 HD2 TYR 24 HD2 TYR 24 -1.622 -8.012 -1.830 144 HE1 TYR 24 HE1 TYR 24 -5.773 -6.773 0.499 145 HE2 TYR 24 HE2 TYR 24 -3.084 -9.764 -0.928 146 HH TYR 24 HH TYR 24 -6.251 -9.151 0.156 147 H THR 25 H THR 25 -1.470 -5.202 -5.010 148 HA THR 25 HA THR 25 -4.000 -6.220 -6.094 149 HB THR 25 HB THR 25 -2.778 -4.552 -7.467 150 HG1 THR 25 HG1 THR 25 -3.992 -6.541 -8.333 151 1HG2 THR 25 1HG2 THR 25 -0.694 -5.225 -8.611 152 2HG2 THR 25 2HG2 THR 25 -0.640 -6.682 -7.619 153 3HG2 THR 25 3HG2 THR 25 -0.486 -5.095 -6.864 154 H THR 26 H THR 26 -4.059 -8.288 -7.120 155 HA THR 26 HA THR 26 -1.819 -10.086 -6.737 156 HB THR 26 HB THR 26 -4.471 -10.667 -5.397 157 HG1 THR 26 HG1 THR 26 -2.290 -9.325 -4.546 158 1HG2 THR 26 1HG2 THR 26 -3.342 -12.677 -6.260 159 2HG2 THR 26 2HG2 THR 26 -3.355 -12.640 -4.496 160 3HG2 THR 26 3HG2 THR 26 -1.883 -12.223 -5.374 161 H ASP 27 H ASP 27 -2.165 -9.763 -9.121 162 HA ASP 27 HA ASP 27 -3.729 -12.061 -10.012 163 1HB ASP 27 1HB ASP 27 -4.427 -10.918 -12.073 164 2HB ASP 27 1HB ASP 27 -5.082 -10.138 -10.641 165 H VAL 28 H VAL 28 -2.589 -13.452 -11.111 166 HA VAL 28 HA VAL 28 0.149 -13.093 -11.729 167 HB VAL 28 HB VAL 28 -1.735 -15.157 -12.892 168 1HG1 VAL 28 1HG1 VAL 28 0.417 -15.009 -14.051 169 2HG1 VAL 28 2HG1 VAL 28 0.255 -16.528 -13.171 170 3HG1 VAL 28 3HG1 VAL 28 1.258 -15.235 -12.516 171 1HG2 VAL 28 1HG2 VAL 28 -0.108 -15.269 -10.351 172 2HG2 VAL 28 2HG2 VAL 28 -1.000 -16.618 -11.055 173 3HG2 VAL 28 3HG2 VAL 28 -1.867 -15.200 -10.466 174 H ASP 29 H ASP 29 -2.729 -12.326 -13.401 175 HA ASP 29 HA ASP 29 -2.066 -12.606 -16.072 176 1HB ASP 29 1HB ASP 29 -4.322 -12.132 -15.326 177 2HB ASP 29 1HB ASP 29 -3.828 -10.546 -14.744 178 H ARG 30 H ARG 30 -1.588 -9.767 -13.981 179 HA ARG 30 HA ARG 30 -0.603 -8.029 -15.923 180 1HB ARG 30 1HB ARG 30 -1.264 -7.302 -13.701 181 2HB ARG 30 1HB ARG 30 0.071 -8.194 -12.987 182 1HG ARG 30 1HG ARG 30 1.670 -6.732 -14.008 183 2HG ARG 30 1HG ARG 30 0.396 -5.904 -14.907 184 1HD ARG 30 1HD ARG 30 0.644 -5.993 -11.907 185 2HD ARG 30 1HD ARG 30 1.126 -4.639 -12.930 186 HE ARG 30 HE ARG 30 -1.169 -4.245 -13.440 187 1HH1 ARG 30 1HH1 ARG 30 -0.670 -6.711 -11.002 188 2HH1 ARG 30 2HH1 ARG 30 -2.310 -6.662 -10.432 189 1HH2 ARG 30 1HH2 ARG 30 -3.313 -4.150 -12.660 190 2HH2 ARG 30 2HH2 ARG 30 -3.796 -5.188 -11.354 191 H ARG 31 H ARG 31 1.071 -10.493 -14.052 192 HA ARG 31 HA ARG 31 3.703 -9.676 -14.696 193 1HB ARG 31 1HB ARG 31 2.581 -12.340 -13.811 194 2HB ARG 31 1HB ARG 31 4.301 -12.047 -14.032 195 1HG ARG 31 1HG ARG 31 4.329 -10.427 -12.285 196 2HG ARG 31 1HG ARG 31 2.569 -10.446 -12.164 197 1HD ARG 31 1HD ARG 31 3.623 -11.727 -10.357 198 2HD ARG 31 1HD ARG 31 2.622 -12.746 -11.388 199 HE ARG 31 HE ARG 31 5.517 -12.638 -11.862 200 1HH1 ARG 31 1HH1 ARG 31 2.714 -14.388 -10.719 201 2HH1 ARG 31 2HH1 ARG 31 3.471 -15.947 -10.816 202 1HH2 ARG 31 1HH2 ARG 31 6.545 -14.692 -11.998 203 2HH2 ARG 31 2HH2 ARG 31 5.651 -16.124 -11.566 204 H ILE 32 H ILE 32 1.774 -12.404 -15.940 205 HA ILE 32 HA ILE 32 3.562 -13.081 -17.999 206 HB ILE 32 HB ILE 32 1.930 -14.684 -17.260 207 1HG1 ILE 32 1HG1 ILE 32 1.378 -13.890 -20.130 208 2HG1 ILE 32 1HG1 ILE 32 2.736 -14.866 -19.582 209 1HG2 ILE 32 1HG2 ILE 32 -0.450 -14.467 -17.709 210 2HG2 ILE 32 2HG2 ILE 32 -0.184 -12.864 -18.392 211 3HG2 ILE 32 3HG2 ILE 32 0.126 -13.155 -16.680 212 1HD1 ILE 32 1HD1 ILE 32 0.983 -16.244 -20.544 213 2HD1 ILE 32 2HD1 ILE 32 -0.168 -15.619 -19.362 214 3HD1 ILE 32 3HD1 ILE 32 1.198 -16.598 -18.830 215 H LYS 33 H LYS 33 0.869 -10.812 -17.906 216 HA LYS 33 HA LYS 33 0.597 -10.289 -20.635 217 1HB LYS 33 1HB LYS 33 -0.892 -9.453 -18.786 218 2HB LYS 33 1HB LYS 33 0.343 -8.261 -18.410 219 1HG LYS 33 1HG LYS 33 0.121 -7.402 -20.741 220 2HG LYS 33 1HG LYS 33 -1.250 -8.491 -20.951 221 1HD LYS 33 1HD LYS 33 -1.015 -6.243 -18.953 222 2HD LYS 33 1HD LYS 33 -2.045 -6.279 -20.384 223 1HE LYS 33 1HE LYS 33 -2.267 -8.085 -17.979 224 2HE LYS 33 1HE LYS 33 -3.337 -6.743 -18.375 225 1HZ LYS 33 1HZ LYS 33 -3.913 -7.943 -20.447 226 2HZ LYS 33 2HZ LYS 33 -4.364 -8.775 -19.041 227 3HZ LYS 33 3HZ LYS 33 -2.997 -9.267 -19.908 228 H LYS 34 H LYS 34 2.727 -8.806 -18.222 229 HA LYS 34 HA LYS 34 3.907 -6.896 -19.895 230 1HB LYS 34 1HB LYS 34 4.188 -6.800 -17.487 231 2HB LYS 34 1HB LYS 34 5.050 -8.332 -17.495 232 1HG LYS 34 1HG LYS 34 6.866 -7.316 -18.773 233 2HG LYS 34 1HG LYS 34 6.002 -5.778 -18.776 234 1HD LYS 34 1HD LYS 34 6.887 -7.231 -16.288 235 2HD LYS 34 1HD LYS 34 7.791 -5.924 -17.057 236 1HE LYS 34 1HE LYS 34 5.851 -4.434 -16.743 237 2HE LYS 34 1HE LYS 34 5.001 -5.742 -15.918 238 1HZ LYS 34 1HZ LYS 34 7.585 -4.589 -15.020 239 2HZ LYS 34 2HZ LYS 34 6.644 -5.738 -14.195 240 3HZ LYS 34 3HZ LYS 34 6.071 -4.153 -14.392 241 H HIS 35 H HIS 35 4.789 -10.258 -19.240 242 HA HIS 35 HA HIS 35 7.187 -10.206 -20.768 243 1HB HIS 35 1HB HIS 35 5.435 -12.515 -19.904 244 2HB HIS 35 1HB HIS 35 6.988 -12.713 -20.710 245 HD1 HIS 35 HD1 HIS 35 6.065 -13.496 -17.656 246 HD2 HIS 35 HD2 HIS 35 8.616 -10.451 -18.898 247 HE1 HIS 35 HE1 HIS 35 7.526 -12.978 -15.676 248 HE2 HIS 35 HE2 HIS 35 9.192 -11.282 -16.517 249 H ALA 36 H ALA 36 3.872 -11.229 -21.504 250 HA ALA 36 HA ALA 36 4.302 -12.048 -24.154 251 1HB ALA 36 1HB ALA 36 1.887 -11.752 -24.445 252 2HB ALA 36 2HB ALA 36 1.817 -10.869 -22.919 253 3HB ALA 36 3HB ALA 36 2.266 -12.574 -22.932 254 H SER 37 H SER 37 3.459 -8.872 -22.815 255 HA SER 37 HA SER 37 3.129 -7.595 -25.332 256 1HB SER 37 1HB SER 37 3.752 -6.363 -22.644 257 2HB SER 37 1HB SER 37 3.119 -5.514 -24.054 258 HG SER 37 HG SER 37 1.841 -7.522 -22.504 259 H GLY 38 H GLY 38 5.860 -8.122 -23.219 260 1HA GLY 38 2HA GLY 38 7.579 -6.127 -24.113 261 2HA GLY 38 1HA GLY 38 8.089 -7.659 -23.425 262 H LYS 39 H LYS 39 6.661 -9.087 -25.652 263 HA LYS 39 HA LYS 39 8.813 -9.299 -27.477 264 1HB LYS 39 1HB LYS 39 7.342 -11.184 -27.083 265 2HB LYS 39 1HB LYS 39 5.952 -10.264 -27.637 266 1HG LYS 39 1HG LYS 39 6.650 -11.856 -29.315 267 2HG LYS 39 1HG LYS 39 6.887 -10.207 -29.895 268 1HD LYS 39 1HD LYS 39 9.264 -10.357 -29.389 269 2HD LYS 39 1HD LYS 39 9.036 -11.983 -28.737 270 1HE LYS 39 1HE LYS 39 8.242 -12.727 -30.948 271 2HE LYS 39 1HE LYS 39 8.545 -11.110 -31.582 272 1HZ LYS 39 1HZ LYS 39 10.648 -12.805 -30.350 273 2HZ LYS 39 2HZ LYS 39 10.860 -11.363 -31.224 274 3HZ LYS 39 3HZ LYS 39 10.329 -12.766 -32.015 275 H GLY 40 H GLY 40 9.268 -7.306 -28.350 276 1HA GLY 40 2HA GLY 40 9.171 -5.924 -30.226 277 2HA GLY 40 1HA GLY 40 7.553 -6.522 -30.558 278 H ALA 41 H ALA 41 8.523 -5.228 -27.429 279 HA ALA 41 HA ALA 41 7.282 -2.657 -28.054 280 1HB ALA 41 1HB ALA 41 6.371 -4.349 -25.728 281 2HB ALA 41 2HB ALA 41 5.451 -4.055 -27.204 282 3HB ALA 41 3HB ALA 41 5.820 -2.720 -26.113 283 H LYS 42 H LYS 42 7.522 -1.115 -26.157 284 HA LYS 42 HA LYS 42 10.189 -1.541 -24.981 285 1HB LYS 42 1HB LYS 42 9.880 0.288 -26.726 286 2HB LYS 42 1HB LYS 42 8.887 1.124 -25.543 287 1HG LYS 42 1HG LYS 42 10.793 1.205 -24.006 288 2HG LYS 42 1HG LYS 42 11.786 0.389 -25.213 289 1HD LYS 42 1HD LYS 42 11.385 2.259 -26.772 290 2HD LYS 42 1HD LYS 42 10.463 3.082 -25.512 291 1HE LYS 42 1HE LYS 42 12.684 3.990 -25.548 292 2HE LYS 42 1HE LYS 42 12.486 3.040 -24.078 293 1HZ LYS 42 1HZ LYS 42 13.850 2.122 -26.553 294 2HZ LYS 42 2HZ LYS 42 13.675 1.217 -25.134 295 3HZ LYS 42 3HZ LYS 42 14.624 2.620 -25.131 296 H TYR 43 H TYR 43 10.596 -0.485 -22.938 297 HA TYR 43 HA TYR 43 8.842 -1.197 -20.908 298 1HB TYR 43 1HB TYR 43 11.346 -0.775 -20.819 299 2HB TYR 43 1HB TYR 43 10.973 0.939 -20.729 300 HD1 TYR 43 HD1 TYR 43 11.379 -2.105 -18.906 301 HD2 TYR 43 HD2 TYR 43 9.603 1.757 -18.721 302 HE1 TYR 43 HE1 TYR 43 11.246 -2.287 -16.458 303 HE2 TYR 43 HE2 TYR 43 9.465 1.585 -16.273 304 HH TYR 43 HH TYR 43 11.169 -0.601 -14.486 305 H THR 44 H THR 44 9.126 1.851 -22.633 306 HA THR 44 HA THR 44 7.986 3.557 -20.731 307 HB THR 44 HB THR 44 7.814 3.894 -23.725 308 HG1 THR 44 HG1 THR 44 9.983 3.965 -21.962 309 1HG2 THR 44 1HG2 THR 44 6.517 5.509 -22.412 310 2HG2 THR 44 2HG2 THR 44 7.902 6.286 -23.180 311 3HG2 THR 44 3HG2 THR 44 7.950 5.893 -21.461 312 H ARG 45 H ARG 45 6.019 3.261 -19.846 313 HA ARG 45 HA ARG 45 3.720 3.616 -21.524 314 1HB ARG 45 1HB ARG 45 3.970 1.181 -21.671 315 2HB ARG 45 1HB ARG 45 3.976 1.068 -19.916 316 1HG ARG 45 1HG ARG 45 1.706 1.611 -19.754 317 2HG ARG 45 1HG ARG 45 1.653 2.253 -21.397 318 1HD ARG 45 1HD ARG 45 2.067 -0.644 -20.655 319 2HD ARG 45 1HD ARG 45 0.555 0.060 -21.232 320 HE ARG 45 HE ARG 45 2.640 0.613 -23.057 321 1HH1 ARG 45 1HH1 ARG 45 0.581 -2.015 -21.970 322 2HH1 ARG 45 2HH1 ARG 45 0.698 -2.881 -23.473 323 1HH2 ARG 45 1HH2 ARG 45 2.786 -0.517 -25.012 324 2HH2 ARG 45 2HH2 ARG 45 1.936 -2.020 -25.218 325 H GLY 46 H GLY 46 2.593 5.106 -20.502 326 1HA GLY 46 2HA GLY 46 1.287 5.008 -18.157 327 2HA GLY 46 1HA GLY 46 2.899 5.500 -17.646 328 H ARG 47 H ARG 47 0.871 7.207 -17.119 329 HA ARG 47 HA ARG 47 1.679 9.515 -18.619 330 1HB ARG 47 1HB ARG 47 -0.588 10.205 -19.310 331 2HB ARG 47 1HB ARG 47 -0.061 8.738 -20.118 332 1HG ARG 47 1HG ARG 47 -1.496 7.388 -18.785 333 2HG ARG 47 1HG ARG 47 -1.859 8.737 -17.704 334 1HD ARG 47 1HD ARG 47 -2.928 9.917 -19.585 335 2HD ARG 47 1HD ARG 47 -2.610 8.526 -20.619 336 HE ARG 47 HE ARG 47 -4.324 7.373 -19.582 337 1HH1 ARG 47 1HH1 ARG 47 -3.709 10.389 -17.921 338 2HH1 ARG 47 2HH1 ARG 47 -5.192 10.353 -17.018 339 1HH2 ARG 47 1HH2 ARG 47 -6.311 7.339 -18.428 340 2HH2 ARG 47 2HH2 ARG 47 -6.674 8.623 -17.314 341 H GLY 48 H GLY 48 -0.715 8.249 -16.327 342 1HA GLY 48 2HA GLY 48 -0.237 9.298 -14.007 343 2HA GLY 48 1HA GLY 48 -0.630 10.787 -14.860 344 HA PRO 49 HA PRO 49 -1.338 11.436 -13.056 345 1HB PRO 49 1HB PRO 49 -3.111 12.231 -11.180 346 2HB PRO 49 1HB PRO 49 -3.179 12.808 -12.845 347 1HG PRO 49 1HG PRO 49 -4.962 10.946 -11.441 348 2HG PRO 49 1HG PRO 49 -5.257 11.888 -12.909 349 1HD PRO 49 1HD PRO 49 -4.525 9.107 -12.675 350 2HD PRO 49 1HD PRO 49 -4.901 10.028 -14.143 351 H PHE 50 H PHE 50 -1.856 8.439 -12.396 352 HA PHE 50 HA PHE 50 -1.705 8.319 -9.532 353 1HB PHE 50 1HB PHE 50 -1.205 6.141 -11.571 354 2HB PHE 50 1HB PHE 50 -1.482 5.911 -9.848 355 HD1 PHE 50 HD1 PHE 50 -3.735 6.505 -8.895 356 HD2 PHE 50 HD2 PHE 50 -2.983 6.294 -13.080 357 HE1 PHE 50 HE1 PHE 50 -6.150 6.303 -9.315 358 HE2 PHE 50 HE2 PHE 50 -5.399 6.097 -13.507 359 HZ PHE 50 HZ PHE 50 -6.986 6.102 -11.622 360 H ARG 51 H ARG 51 0.089 9.065 -8.603 361 HA ARG 51 HA ARG 51 2.683 8.554 -9.838 362 1HB ARG 51 1HB ARG 51 2.354 10.794 -9.009 363 2HB ARG 51 1HB ARG 51 1.871 10.188 -7.431 364 1HG ARG 51 1HG ARG 51 4.157 9.239 -7.165 365 2HG ARG 51 1HG ARG 51 4.611 10.044 -8.666 366 1HD ARG 51 1HD ARG 51 4.226 12.193 -7.721 367 2HD ARG 51 1HD ARG 51 3.463 11.493 -6.292 368 HE ARG 51 HE ARG 51 6.223 10.721 -6.771 369 1HH1 ARG 51 1HH1 ARG 51 4.006 12.865 -5.103 370 2HH1 ARG 51 2HH1 ARG 51 5.130 13.243 -3.834 371 1HH2 ARG 51 1HH2 ARG 51 7.709 11.226 -5.095 372 2HH2 ARG 51 2HH2 ARG 51 7.230 12.326 -3.829 373 H LEU 52 H LEU 52 3.648 6.688 -9.390 374 HA LEU 52 HA LEU 52 2.971 5.098 -7.118 375 1HB LEU 52 1HB LEU 52 3.699 4.120 -9.258 376 2HB LEU 52 1HB LEU 52 5.285 4.839 -9.045 377 HG LEU 52 HG LEU 52 5.593 3.465 -7.001 378 1HD1 LEU 52 1HD1 LEU 52 3.235 3.160 -6.439 379 2HD1 LEU 52 2HD1 LEU 52 4.078 1.615 -6.566 380 3HD1 LEU 52 3HD1 LEU 52 3.023 2.153 -7.873 381 1HD2 LEU 52 1HD2 LEU 52 5.995 1.375 -8.158 382 2HD2 LEU 52 2HD2 LEU 52 6.457 2.737 -9.179 383 3HD2 LEU 52 3HD2 LEU 52 4.944 1.882 -9.481 384 H VAL 53 H VAL 53 3.610 5.518 -5.124 385 HA VAL 53 HA VAL 53 5.981 7.122 -4.622 386 HB VAL 53 HB VAL 53 4.120 5.848 -2.608 387 1HG1 VAL 53 1HG1 VAL 53 4.991 7.576 -1.085 388 2HG1 VAL 53 2HG1 VAL 53 6.102 8.111 -2.346 389 3HG1 VAL 53 3HG1 VAL 53 6.261 6.494 -1.659 390 1HG2 VAL 53 1HG2 VAL 53 4.017 8.602 -3.833 391 2HG2 VAL 53 2HG2 VAL 53 3.040 8.062 -2.468 392 3HG2 VAL 53 3HG2 VAL 53 2.837 7.308 -4.051 393 H ALA 54 H ALA 54 4.781 3.880 -3.837 394 HA ALA 54 HA ALA 54 7.378 2.733 -4.121 395 1HB ALA 54 1HB ALA 54 7.616 3.659 -1.864 396 2HB ALA 54 2HB ALA 54 7.636 1.894 -1.850 397 3HB ALA 54 3HB ALA 54 6.186 2.764 -1.352 398 H THR 55 H THR 55 7.285 0.347 -3.453 399 HA THR 55 HA THR 55 4.592 -0.770 -3.663 400 HB THR 55 HB THR 55 6.859 -1.758 -5.404 401 HG1 THR 55 HG1 THR 55 5.031 0.307 -5.787 402 1HG2 THR 55 1HG2 THR 55 3.886 -2.285 -5.412 403 2HG2 THR 55 2HG2 THR 55 5.149 -3.419 -4.932 404 3HG2 THR 55 3HG2 THR 55 5.023 -2.892 -6.612 405 H TRP 56 H TRP 56 4.331 -2.401 -2.263 406 HA TRP 56 HA TRP 56 6.762 -3.605 -1.111 407 1HB TRP 56 1HB TRP 56 4.080 -3.013 0.139 408 2HB TRP 56 1HB TRP 56 5.256 -4.091 0.884 409 HD1 TRP 56 HD TRP 56 7.421 -2.997 1.961 410 HE1 TRP 56 HE1 TRP 56 7.980 -0.587 2.660 411 HE3 TRP 56 HE3 TRP 56 3.715 -0.536 -0.560 412 HZ2 TRP 56 HZ2 TRP 56 6.976 2.016 2.214 413 HZ3 TRP 56 HZ3 TRP 56 3.586 1.912 -0.371 414 HH2 TRP 56 HH TRP 56 5.182 3.160 0.986 415 H ALA 57 H ALA 57 7.081 -5.616 -1.764 416 HA ALA 57 HA ALA 57 4.775 -7.238 -2.591 417 1HB ALA 57 1HB ALA 57 6.380 -8.624 -3.792 418 2HB ALA 57 2HB ALA 57 7.709 -7.650 -3.164 419 3HB ALA 57 3HB ALA 57 6.535 -6.933 -4.268 420 H PHE 58 H PHE 58 4.118 -8.878 -1.358 421 HA PHE 58 HA PHE 58 6.014 -9.974 0.614 422 1HB PHE 58 1HB PHE 58 3.048 -9.562 1.043 423 2HB PHE 58 1HB PHE 58 4.173 -10.269 2.193 424 HD1 PHE 58 HD1 PHE 58 6.071 -8.828 3.051 425 HD2 PHE 58 HD2 PHE 58 2.695 -7.252 0.992 426 HE1 PHE 58 HE1 PHE 58 6.545 -6.601 3.983 427 HE2 PHE 58 HE2 PHE 58 3.164 -5.027 1.920 428 HZ PHE 58 HZ PHE 58 5.093 -4.697 3.417 429 HA PRO 59 HA PRO 59 4.852 -13.785 -1.463 430 1HB PRO 59 1HB PRO 59 6.726 -15.015 0.413 431 2HB PRO 59 1HB PRO 59 6.822 -14.909 -1.346 432 1HG PRO 59 1HG PRO 59 8.485 -13.538 0.281 433 2HG PRO 59 1HG PRO 59 7.965 -12.917 -1.295 434 1HD PRO 59 1HD PRO 59 6.957 -12.221 1.440 435 2HD PRO 59 1HD PRO 59 7.299 -11.153 0.060 436 H SER 60 H SER 60 4.461 -12.761 1.732 437 HA SER 60 HA SER 60 3.267 -15.274 2.626 438 1HB SER 60 1HB SER 60 3.867 -12.730 4.159 439 2HB SER 60 1HB SER 60 3.251 -14.226 4.858 440 HG SER 60 HG SER 60 5.151 -15.223 4.460 441 H LYS 61 H LYS 61 1.149 -15.530 2.980 442 HA LYS 61 HA LYS 61 -0.751 -13.861 1.767 443 1HB LYS 61 1HB LYS 61 -1.191 -16.202 2.063 444 2HB LYS 61 1HB LYS 61 -1.026 -16.066 3.806 445 1HG LYS 61 1HG LYS 61 -3.047 -14.653 3.853 446 2HG LYS 61 1HG LYS 61 -3.229 -14.907 2.115 447 1HD LYS 61 1HD LYS 61 -3.466 -17.286 2.445 448 2HD LYS 61 1HD LYS 61 -3.146 -17.110 4.171 449 1HE LYS 61 1HE LYS 61 -5.174 -15.763 4.407 450 2HE LYS 61 1HE LYS 61 -5.493 -15.940 2.684 451 1HZ LYS 61 1HZ LYS 61 -6.767 -17.498 4.085 452 2HZ LYS 61 2HZ LYS 61 -5.309 -18.210 4.588 453 3HZ LYS 61 3HZ LYS 61 -5.770 -18.285 2.957 454 H GLU 62 H GLU 62 -0.139 -14.423 5.241 455 HA GLU 62 HA GLU 62 -2.185 -12.670 6.074 456 1HB GLU 62 1HB GLU 62 -1.220 -12.906 8.320 457 2HB GLU 62 1HB GLU 62 -1.434 -14.454 7.528 458 1HG GLU 62 1HG GLU 62 1.207 -13.043 7.491 459 2HG GLU 62 1HG GLU 62 0.711 -14.032 8.863 460 H GLU 63 H GLU 63 1.277 -12.228 5.574 461 HA GLU 63 HA GLU 63 1.501 -9.725 6.826 462 1HB GLU 63 1HB GLU 63 3.102 -10.954 4.588 463 2HB GLU 63 1HB GLU 63 3.531 -9.439 5.368 464 1HG GLU 63 1HG GLU 63 3.355 -12.146 6.674 465 2HG GLU 63 1HG GLU 63 4.825 -11.249 6.298 466 H ALA 64 H ALA 64 0.589 -10.630 3.546 467 HA ALA 64 HA ALA 64 0.514 -8.006 2.479 468 1HB ALA 64 1HB ALA 64 -0.767 -8.972 0.668 469 2HB ALA 64 2HB ALA 64 -1.058 -10.426 1.622 470 3HB ALA 64 3HB ALA 64 0.577 -10.032 1.093 471 H MET 65 H MET 65 -1.928 -10.080 3.963 472 HA MET 65 HA MET 65 -4.106 -8.318 3.558 473 1HB MET 65 1HB MET 65 -3.751 -10.538 5.583 474 2HB MET 65 1HB MET 65 -5.273 -9.734 5.225 475 1HG MET 65 1HG MET 65 -5.226 -10.575 2.961 476 2HG MET 65 1HG MET 65 -3.645 -11.303 3.236 477 1HE MET 65 1HE MET 65 -6.727 -11.150 5.670 478 2HE MET 65 2HE MET 65 -7.517 -12.693 5.340 479 3HE MET 65 3HE MET 65 -7.481 -11.435 4.103 480 H ARG 66 H ARG 66 -1.897 -8.832 6.284 481 HA ARG 66 HA ARG 66 -3.321 -7.061 8.019 482 1HB ARG 66 1HB ARG 66 -1.473 -7.345 9.564 483 2HB ARG 66 1HB ARG 66 -1.936 -8.898 8.889 484 1HG ARG 66 1HG ARG 66 -0.042 -8.757 7.325 485 2HG ARG 66 1HG ARG 66 0.436 -7.236 8.077 486 1HD ARG 66 1HD ARG 66 0.214 -9.879 9.506 487 2HD ARG 66 1HD ARG 66 1.715 -9.182 8.903 488 HE ARG 66 HE ARG 66 0.153 -7.582 10.779 489 1HH1 ARG 66 1HH1 ARG 66 2.927 -9.637 10.185 490 2HH1 ARG 66 2HH1 ARG 66 3.727 -9.193 11.665 491 1HH2 ARG 66 1HH2 ARG 66 1.196 -6.987 12.702 492 2HH2 ARG 66 2HH2 ARG 66 2.741 -7.675 13.100 493 H TRP 67 H TRP 67 -0.607 -6.695 5.815 494 HA TRP 67 HA TRP 67 0.291 -4.182 6.733 495 1HB TRP 67 1HB TRP 67 1.325 -5.875 5.008 496 2HB TRP 67 1HB TRP 67 0.410 -4.935 3.834 497 HD1 TRP 67 HD TRP 67 3.468 -4.780 6.056 498 HE1 TRP 67 HE1 TRP 67 4.833 -2.673 5.483 499 HE3 TRP 67 HE3 TRP 67 0.123 -2.483 2.964 500 HZ2 TRP 67 HZ2 TRP 67 4.516 -0.344 3.932 501 HZ3 TRP 67 HZ3 TRP 67 0.727 -0.315 1.978 502 HH2 TRP 67 HH TRP 67 2.877 0.728 2.450 503 H GLU 68 H GLU 68 -1.802 -5.025 4.002 504 HA GLU 68 HA GLU 68 -2.740 -2.552 3.223 505 1HB GLU 68 1HB GLU 68 -3.259 -4.641 2.076 506 2HB GLU 68 1HB GLU 68 -4.200 -5.192 3.446 507 1HG GLU 68 1HG GLU 68 -5.748 -4.515 1.837 508 2HG GLU 68 1HG GLU 68 -5.721 -3.229 3.036 509 H TYR 69 H TYR 69 -4.177 -4.746 5.562 510 HA TYR 69 HA TYR 69 -6.322 -3.207 6.401 511 1HB TYR 69 1HB TYR 69 -6.040 -5.602 6.849 512 2HB TYR 69 1HB TYR 69 -4.724 -5.247 7.957 513 HD1 TYR 69 HD1 TYR 69 -8.322 -4.374 7.440 514 HD2 TYR 69 HD2 TYR 69 -5.190 -5.193 10.194 515 HE1 TYR 69 HE1 TYR 69 -9.937 -4.286 9.295 516 HE2 TYR 69 HE2 TYR 69 -6.785 -5.093 12.053 517 HH TYR 69 HH TYR 69 -10.117 -5.185 11.624 518 H GLU 70 H GLU 70 -2.991 -3.219 7.623 519 HA GLU 70 HA GLU 70 -3.619 -1.538 9.856 520 1HB GLU 70 1HB GLU 70 -1.103 -2.638 8.694 521 2HB GLU 70 1HB GLU 70 -1.012 -1.317 9.855 522 1HG GLU 70 1HG GLU 70 -2.400 -3.947 10.331 523 2HG GLU 70 1HG GLU 70 -0.785 -3.529 10.905 524 H VAL 71 H VAL 71 -2.298 -0.960 6.622 525 HA VAL 71 HA VAL 71 -1.716 1.785 7.138 526 HB VAL 71 HB VAL 71 -2.210 0.426 4.481 527 1HG1 VAL 71 1HG1 VAL 71 -0.954 2.302 3.527 528 2HG1 VAL 71 2HG1 VAL 71 -0.865 3.051 5.122 529 3HG1 VAL 71 3HG1 VAL 71 -2.426 2.853 4.325 530 1HG2 VAL 71 1HG2 VAL 71 0.340 0.965 5.997 531 2HG2 VAL 71 2HG2 VAL 71 0.251 0.348 4.349 532 3HG2 VAL 71 3HG2 VAL 71 -0.384 -0.613 5.684 533 H LYS 72 H LYS 72 -4.537 0.010 6.122 534 HA LYS 72 HA LYS 72 -6.193 2.278 5.631 535 1HB LYS 72 1HB LYS 72 -6.649 -0.088 4.899 536 2HB LYS 72 1HB LYS 72 -7.026 -0.472 6.570 537 1HG LYS 72 1HG LYS 72 -8.864 1.149 6.517 538 2HG LYS 72 1HG LYS 72 -8.493 1.501 4.826 539 1HD LYS 72 1HD LYS 72 -8.880 -0.890 4.297 540 2HD LYS 72 1HD LYS 72 -9.364 -1.149 5.974 541 1HE LYS 72 1HE LYS 72 -11.334 -0.888 4.621 542 2HE LYS 72 1HE LYS 72 -11.164 0.522 5.663 543 1HZ LYS 72 1HZ LYS 72 -10.354 1.804 3.848 544 2HZ LYS 72 2HZ LYS 72 -11.770 1.033 3.324 545 3HZ LYS 72 3HZ LYS 72 -10.256 0.444 2.838 546 H HIS 73 H HIS 73 -5.087 0.598 8.434 547 HA HIS 73 HA HIS 73 -7.066 1.559 10.274 548 1HB HIS 73 1HB HIS 73 -4.825 -0.263 10.307 549 2HB HIS 73 1HB HIS 73 -4.776 0.796 11.709 550 HD1 HIS 73 HD1 HIS 73 -5.184 -2.034 12.352 551 HD2 HIS 73 HD2 HIS 73 -8.375 0.467 11.397 552 HE1 HIS 73 HE1 HIS 73 -7.219 -3.085 13.403 553 HE2 HIS 73 HE2 HIS 73 -9.157 -1.641 12.684 554 H LEU 74 H LEU 74 -3.696 2.429 9.540 555 HA LEU 74 HA LEU 74 -3.489 4.198 11.762 556 1HB LEU 74 1HB LEU 74 -1.341 4.915 10.573 557 2HB LEU 74 1HB LEU 74 -1.459 3.276 11.170 558 HG LEU 74 HG LEU 74 -2.091 2.620 8.780 559 1HD1 LEU 74 1HD1 LEU 74 -1.342 4.090 7.012 560 2HD1 LEU 74 2HD1 LEU 74 -0.901 5.323 8.193 561 3HD1 LEU 74 3HD1 LEU 74 -2.593 4.882 7.971 562 1HD2 LEU 74 1HD2 LEU 74 0.263 2.558 8.096 563 2HD2 LEU 74 2HD2 LEU 74 0.050 2.095 9.785 564 3HD2 LEU 74 3HD2 LEU 74 0.655 3.703 9.379 565 H SER 75 H SER 75 -3.215 6.427 11.788 566 HA SER 75 HA SER 75 -5.013 7.822 10.052 567 1HB SER 75 1HB SER 75 -4.357 9.793 11.468 568 2HB SER 75 1HB SER 75 -4.989 8.420 12.378 569 HG SER 75 HG SER 75 -3.207 8.674 13.485 570 H ARG 76 H ARG 76 -4.137 10.168 9.409 571 HA ARG 76 HA ARG 76 -2.450 9.778 7.219 572 1HB ARG 76 1HB ARG 76 -3.519 12.198 8.610 573 2HB ARG 76 1HB ARG 76 -2.254 12.398 7.402 574 1HG ARG 76 1HG ARG 76 -4.498 12.721 6.471 575 2HG ARG 76 1HG ARG 76 -3.653 11.373 5.717 576 1HD ARG 76 1HD ARG 76 -6.013 10.858 6.164 577 2HD ARG 76 1HD ARG 76 -4.920 9.793 7.049 578 HE ARG 76 HE ARG 76 -5.643 12.012 8.654 579 1HH1 ARG 76 1HH1 ARG 76 -7.030 9.094 7.297 580 2HH1 ARG 76 2HH1 ARG 76 -8.127 8.844 8.630 581 1HH2 ARG 76 1HH2 ARG 76 -7.042 11.664 10.428 582 2HH2 ARG 76 2HH2 ARG 76 -8.114 10.291 10.428 583 H ARG 77 H ARG 77 -1.745 11.052 10.454 584 HA ARG 77 HA ARG 77 0.831 12.000 9.925 585 1HB ARG 77 1HB ARG 77 -0.350 12.564 11.980 586 2HB ARG 77 1HB ARG 77 -0.297 10.885 12.501 587 1HG ARG 77 1HG ARG 77 1.374 12.209 13.659 588 2HG ARG 77 1HG ARG 77 2.141 10.997 12.630 589 1HD ARG 77 1HD ARG 77 3.400 12.847 12.128 590 2HD ARG 77 1HD ARG 77 2.165 12.938 10.875 591 HE ARG 77 HE ARG 77 1.741 14.444 13.345 592 1HH1 ARG 77 1HH1 ARG 77 2.396 14.421 9.901 593 2HH1 ARG 77 2HH1 ARG 77 2.370 16.157 9.762 594 1HH2 ARG 77 1HH2 ARG 77 1.656 16.729 13.144 595 2HH2 ARG 77 2HH2 ARG 77 1.909 17.454 11.581 596 H LYS 78 H LYS 78 -0.253 8.768 10.896 597 HA LYS 78 HA LYS 78 2.444 7.767 11.058 598 1HB LYS 78 1HB LYS 78 0.519 6.890 12.441 599 2HB LYS 78 1HB LYS 78 -0.115 6.160 10.973 600 1HG LYS 78 1HG LYS 78 1.937 4.841 10.750 601 2HG LYS 78 1HG LYS 78 2.548 5.555 12.244 602 1HD LYS 78 1HD LYS 78 0.558 4.632 13.421 603 2HD LYS 78 1HD LYS 78 0.108 3.814 11.925 604 1HE LYS 78 1HE LYS 78 2.261 2.621 11.961 605 2HE LYS 78 1HE LYS 78 2.653 3.405 13.490 606 1HZ LYS 78 1HZ LYS 78 0.599 1.360 12.931 607 2HZ LYS 78 2HZ LYS 78 0.449 2.385 14.274 608 3HZ LYS 78 3HZ LYS 78 1.802 1.369 14.131 609 H LYS 79 H LYS 79 -0.114 7.940 8.707 610 HA LYS 79 HA LYS 79 0.863 6.091 6.820 611 1HB LYS 79 1HB LYS 79 -1.392 7.354 6.881 612 2HB LYS 79 1HB LYS 79 -0.525 8.666 6.101 613 1HG LYS 79 1HG LYS 79 0.029 7.188 4.231 614 2HG LYS 79 1HG LYS 79 -0.859 5.879 5.013 615 1HD LYS 79 1HD LYS 79 -2.877 7.391 4.990 616 2HD LYS 79 1HD LYS 79 -1.951 8.479 3.954 617 1HE LYS 79 1HE LYS 79 -3.331 7.089 2.565 618 2HE LYS 79 1HE LYS 79 -1.649 6.598 2.355 619 1HZ LYS 79 1HZ LYS 79 -3.710 5.227 3.996 620 2HZ LYS 79 2HZ LYS 79 -2.077 4.799 3.977 621 3HZ LYS 79 3HZ LYS 79 -3.002 4.650 2.567 622 H GLU 80 H GLU 80 1.507 9.519 7.368 623 HA GLU 80 HA GLU 80 3.340 9.924 5.262 624 1HB GLU 80 1HB GLU 80 3.269 11.249 7.980 625 2HB GLU 80 1HB GLU 80 4.098 11.860 6.556 626 1HG GLU 80 1HG GLU 80 2.011 12.240 5.444 627 2HG GLU 80 1HG GLU 80 1.124 11.465 6.759 628 H GLN 81 H GLN 81 3.762 8.917 8.633 629 HA GLN 81 HA GLN 81 6.565 8.852 8.673 630 1HB GLN 81 1HB GLN 81 4.502 7.335 10.264 631 2HB GLN 81 1HB GLN 81 6.229 7.184 10.564 632 1HG GLN 81 1HG GLN 81 4.629 9.732 10.732 633 2HG GLN 81 1HG GLN 81 5.188 8.763 12.097 634 1HE2 GLN 81 1HE2 GLN 81 5.771 11.545 11.406 635 2HE2 GLN 81 2HE2 GLN 81 7.495 11.656 11.260 636 H LEU 82 H LEU 82 4.188 6.479 7.690 637 HA LEU 82 HA LEU 82 5.835 4.247 7.424 638 1HB LEU 82 1HB LEU 82 3.349 4.283 7.290 639 2HB LEU 82 1HB LEU 82 3.477 5.015 5.703 640 HG LEU 82 HG LEU 82 5.030 2.600 5.772 641 1HD1 LEU 82 1HD1 LEU 82 3.243 0.999 6.135 642 2HD1 LEU 82 2HD1 LEU 82 2.127 2.305 6.530 643 3HD1 LEU 82 3HD1 LEU 82 3.502 1.971 7.585 644 1HD2 LEU 82 1HD2 LEU 82 3.544 2.026 3.891 645 2HD2 LEU 82 2HD2 LEU 82 4.208 3.654 3.748 646 3HD2 LEU 82 3HD2 LEU 82 2.541 3.424 4.278 647 H VAL 83 H VAL 83 5.053 6.802 5.092 648 HA VAL 83 HA VAL 83 6.738 5.752 3.034 649 HB VAL 83 HB VAL 83 5.590 8.536 3.358 650 1HG1 VAL 83 1HG1 VAL 83 7.464 8.534 1.814 651 2HG1 VAL 83 2HG1 VAL 83 5.951 8.750 0.939 652 3HG1 VAL 83 3HG1 VAL 83 6.761 7.182 0.927 653 1HG2 VAL 83 1HG2 VAL 83 3.849 6.858 3.277 654 2HG2 VAL 83 2HG2 VAL 83 4.567 6.142 1.833 655 3HG2 VAL 83 3HG2 VAL 83 3.880 7.766 1.766 656 H SER 84 H SER 84 7.171 7.893 5.736 657 HA SER 84 HA SER 84 9.632 9.046 4.916 658 1HB SER 84 1HB SER 84 8.575 8.630 7.727 659 2HB SER 84 1HB SER 84 9.854 9.748 7.247 660 HG SER 84 HG SER 84 7.192 9.843 6.244 661 H LEU 85 H LEU 85 8.755 5.992 6.280 662 HA LEU 85 HA LEU 85 11.393 5.261 7.146 663 1HB LEU 85 1HB LEU 85 8.978 3.548 6.543 664 2HB LEU 85 1HB LEU 85 10.446 2.985 7.317 665 HG LEU 85 HG LEU 85 8.615 5.091 8.469 666 1HD1 LEU 85 1HD1 LEU 85 7.919 3.356 10.036 667 2HD1 LEU 85 2HD1 LEU 85 8.898 2.172 9.169 668 3HD1 LEU 85 3HD1 LEU 85 7.509 2.920 8.376 669 1HD2 LEU 85 1HD2 LEU 85 9.904 4.735 10.510 670 2HD2 LEU 85 2HD2 LEU 85 10.940 5.288 9.193 671 3HD2 LEU 85 3HD2 LEU 85 10.941 3.588 9.663 672 H LYS 86 H LYS 86 9.426 4.786 4.271 673 HA LYS 86 HA LYS 86 11.730 4.414 2.622 674 1HB LYS 86 1HB LYS 86 11.372 2.125 3.644 675 2HB LYS 86 1HB LYS 86 9.815 2.078 2.834 676 1HG LYS 86 1HG LYS 86 12.338 2.513 1.281 677 2HG LYS 86 1HG LYS 86 11.827 0.893 1.753 678 1HD LYS 86 1HD LYS 86 9.734 1.175 0.559 679 2HD LYS 86 1HD LYS 86 10.158 2.842 0.159 680 1HE LYS 86 1HE LYS 86 11.737 0.418 -0.696 681 2HE LYS 86 1HE LYS 86 10.535 1.230 -1.698 682 1HZ LYS 86 1HZ LYS 86 12.959 2.555 -0.594 683 2HZ LYS 86 2HZ LYS 86 11.858 3.203 -1.701 684 3HZ LYS 86 3HZ LYS 86 12.851 1.914 -2.162 685 H GLY 87 H GLY 87 11.252 5.480 0.852 686 1HA GLY 87 2HA GLY 87 9.513 5.384 -1.062 687 2HA GLY 87 1HA GLY 87 8.411 5.927 0.201 688 H GLY 88 H GLY 88 10.803 7.374 1.372 689 1HA GLY 88 2HA GLY 88 10.729 9.939 0.910 690 2HA GLY 88 1HA GLY 88 12.284 9.135 0.935 691 HA PRO 89 HA PRO 89 10.863 11.271 -3.240 692 1HB PRO 89 1HB PRO 89 12.504 13.498 -2.942 693 2HB PRO 89 1HB PRO 89 10.758 13.466 -2.688 694 1HG PRO 89 1HG PRO 89 12.966 13.294 -0.689 695 2HG PRO 89 1HG PRO 89 11.402 14.120 -0.568 696 1HD PRO 89 1HD PRO 89 11.845 11.786 0.663 697 2HD PRO 89 1HD PRO 89 10.267 12.155 -0.064 698 H TYR 90 H TYR 90 13.914 10.871 -1.534 699 HA TYR 90 HA TYR 90 15.560 11.008 -3.863 700 1HB TYR 90 1HB TYR 90 16.483 11.421 -1.632 701 2HB TYR 90 1HB TYR 90 16.110 9.768 -1.157 702 HD1 TYR 90 HD1 TYR 90 17.740 8.123 -1.379 703 HD2 TYR 90 HD2 TYR 90 18.086 11.685 -3.681 704 HE1 TYR 90 HE1 TYR 90 19.947 7.388 -2.176 705 HE2 TYR 90 HE2 TYR 90 20.297 10.960 -4.479 706 HH TYR 90 HH TYR 90 21.459 7.781 -4.032 707 H GLU 91 H GLU 91 13.769 8.500 -2.243 708 HA GLU 91 HA GLU 91 15.061 6.328 -3.626 709 1HB GLU 91 1HB GLU 91 12.503 6.367 -2.009 710 2HB GLU 91 1HB GLU 91 13.337 4.924 -2.567 711 1HG GLU 91 1HG GLU 91 15.278 5.535 -1.192 712 2HG GLU 91 1HG GLU 91 14.397 6.947 -0.605 713 H ASN 92 H ASN 92 12.804 8.625 -4.486 714 HA ASN 92 HA ASN 92 11.080 7.069 -6.139 715 1HB ASN 92 1HB ASN 92 11.726 10.013 -6.037 716 2HB ASN 92 1HB ASN 92 10.646 9.345 -7.254 717 1HD2 ASN 92 1HD2 ASN 92 10.780 8.051 -4.020 718 2HD2 ASN 92 2HD2 ASN 92 9.238 8.639 -3.509 719 H THR 93 H THR 93 14.068 8.847 -6.636 720 HA THR 93 HA THR 93 15.540 9.007 -8.361 721 HB THR 93 HB THR 93 16.121 6.802 -9.438 722 HG1 THR 93 HG1 THR 93 13.696 6.151 -8.552 723 1HG2 THR 93 1HG2 THR 93 16.983 5.804 -7.374 724 2HG2 THR 93 2HG2 THR 93 15.900 6.823 -6.424 725 3HG2 THR 93 3HG2 THR 93 17.198 7.555 -7.370 726 H THR 94 H THR 94 12.948 9.867 -9.091 727 HA THR 94 HA THR 94 12.068 8.754 -11.531 728 HB THR 94 HB THR 94 11.562 11.589 -10.635 729 HG1 THR 94 HG1 THR 94 9.949 9.399 -9.855 730 1HG2 THR 94 1HG2 THR 94 9.881 9.578 -12.140 731 2HG2 THR 94 2HG2 THR 94 10.713 10.963 -12.846 732 3HG2 THR 94 3HG2 THR 94 9.388 11.215 -11.710 733 H LYS 95 H LYS 95 13.429 12.020 -11.051 734 HA LYS 95 HA LYS 95 15.384 11.791 -13.080 735 1HB LYS 95 1HB LYS 95 13.402 11.808 -14.544 736 2HB LYS 95 1HB LYS 95 12.886 13.325 -13.819 737 1HG LYS 95 1HG LYS 95 14.844 14.447 -14.698 738 2HG LYS 95 1HG LYS 95 15.438 12.926 -15.367 739 1HD LYS 95 1HD LYS 95 14.399 14.195 -17.127 740 2HD LYS 95 1HD LYS 95 13.384 12.798 -16.761 741 1HE LYS 95 1HE LYS 95 12.027 14.309 -15.275 742 2HE LYS 95 1HE LYS 95 12.948 15.661 -15.931 743 1HZ LYS 95 1HZ LYS 95 11.145 13.823 -17.403 744 2HZ LYS 95 2HZ LYS 95 12.185 14.911 -18.176 745 3HZ LYS 95 3HZ LYS 95 10.953 15.491 -17.166 746 H LEU 96 H LEU 96 13.107 14.304 -12.070 747 HA LEU 96 HA LEU 96 13.350 16.350 -11.157 748 1HB LEU 96 1HB LEU 96 15.813 15.095 -9.954 749 2HB LEU 96 1HB LEU 96 15.268 16.712 -9.556 750 HG LEU 96 HG LEU 96 14.469 15.404 -7.803 751 1HD1 LEU 96 1HD1 LEU 96 12.040 15.357 -8.043 752 2HD1 LEU 96 2HD1 LEU 96 12.212 15.557 -9.788 753 3HD1 LEU 96 3HD1 LEU 96 12.733 16.842 -8.698 754 1HD2 LEU 96 1HD2 LEU 96 13.524 13.358 -9.803 755 2HD2 LEU 96 2HD2 LEU 96 13.344 13.260 -8.051 756 3HD2 LEU 96 3HD2 LEU 96 14.951 13.216 -8.776 757 H SER 97 H SER 97 16.830 15.922 -11.396 758 HA SER 97 HA SER 97 17.006 17.368 -13.879 759 1HB SER 97 1HB SER 97 18.420 19.202 -12.821 760 2HB SER 97 1HB SER 97 16.693 19.284 -12.478 761 HG SER 97 HG SER 97 18.710 19.144 -10.753 762 H THR 98 H THR 98 17.923 14.915 -12.231 763 HA THR 98 HA THR 98 20.817 15.238 -12.326 764 HB THR 98 HB THR 98 19.249 12.825 -11.408 765 HG1 THR 98 HG1 THR 98 20.305 14.695 -9.589 766 1HG2 THR 98 1HG2 THR 98 22.041 13.804 -10.793 767 2HG2 THR 98 2HG2 THR 98 21.627 12.430 -11.816 768 3HG2 THR 98 3HG2 THR 98 21.279 12.379 -10.088 769 H THR 99 H THR 99 22.087 14.344 -13.868 770 HA THR 99 HA THR 99 20.770 12.676 -15.883 771 HB THR 99 HB THR 99 22.712 13.158 -17.321 772 HG1 THR 99 HG1 THR 99 24.461 13.734 -16.302 773 1HG2 THR 99 1HG2 THR 99 20.771 14.649 -17.397 774 2HG2 THR 99 2HG2 THR 99 22.269 15.527 -17.704 775 3HG2 THR 99 3HG2 THR 99 21.485 15.644 -16.129 Start of MODEL 2 1 H MET 6 H MET 6 0.891 -16.926 -3.689 2 HA MET 6 HA MET 6 2.229 -15.887 -6.091 3 1HB MET 6 1HB MET 6 0.127 -14.592 -6.508 4 2HB MET 6 1HB MET 6 -0.079 -16.334 -6.630 5 1HG MET 6 1HG MET 6 -0.642 -15.767 -3.978 6 2HG MET 6 1HG MET 6 -1.366 -14.433 -4.874 7 1HE MET 6 1HE MET 6 -2.368 -18.883 -5.596 8 2HE MET 6 2HE MET 6 -1.235 -18.317 -4.367 9 3HE MET 6 3HE MET 6 -0.834 -18.155 -6.077 10 H ASN 7 H ASN 7 2.733 -13.651 -6.091 11 HA ASN 7 HA ASN 7 3.383 -12.676 -3.456 12 1HB ASN 7 1HB ASN 7 3.902 -11.514 -6.200 13 2HB ASN 7 1HB ASN 7 4.477 -10.800 -4.700 14 1HD2 ASN 7 1HD2 ASN 7 6.127 -11.812 -3.557 15 2HD2 ASN 7 2HD2 ASN 7 7.129 -13.027 -4.274 16 H HIS 8 H HIS 8 2.215 -11.308 -2.305 17 HA HIS 8 HA HIS 8 -0.095 -10.000 -3.510 18 1HB HIS 8 1HB HIS 8 0.811 -10.089 -0.617 19 2HB HIS 8 1HB HIS 8 -0.730 -9.482 -1.201 20 HD1 HIS 8 HD1 HIS 8 -2.593 -11.101 -0.988 21 HD2 HIS 8 HD2 HIS 8 1.091 -13.011 -1.310 22 HE1 HIS 8 HE1 HIS 8 -3.078 -13.556 -0.798 23 HE2 HIS 8 HE2 HIS 8 -0.858 -14.695 -1.122 24 H TYR 9 H TYR 9 0.006 -7.959 -4.174 25 HA TYR 9 HA TYR 9 2.416 -6.422 -3.493 26 1HB TYR 9 1HB TYR 9 0.510 -5.812 -5.745 27 2HB TYR 9 1HB TYR 9 2.193 -5.326 -5.573 28 HD1 TYR 9 HD1 TYR 9 -0.074 -7.823 -6.819 29 HD2 TYR 9 HD2 TYR 9 4.000 -7.090 -5.841 30 HE1 TYR 9 HE1 TYR 9 0.592 -9.749 -8.190 31 HE2 TYR 9 HE2 TYR 9 4.675 -9.023 -7.208 32 HH TYR 9 HH TYR 9 2.374 -10.734 -9.236 33 H VAL 10 H VAL 10 2.260 -4.681 -2.271 34 HA VAL 10 HA VAL 10 -0.357 -3.352 -1.967 35 HB VAL 10 HB VAL 10 2.051 -3.059 -0.156 36 1HG1 VAL 10 1HG1 VAL 10 0.448 -2.038 1.390 37 2HG1 VAL 10 2HG1 VAL 10 -0.826 -2.220 0.182 38 3HG1 VAL 10 3HG1 VAL 10 0.547 -1.155 -0.133 39 1HG2 VAL 10 1HG2 VAL 10 1.204 -5.355 -0.037 40 2HG2 VAL 10 2HG2 VAL 10 -0.413 -4.740 0.307 41 3HG2 VAL 10 3HG2 VAL 10 0.897 -4.470 1.459 42 H TYR 11 H TYR 11 -0.457 -1.690 -3.381 43 HA TYR 11 HA TYR 11 2.013 -0.151 -3.806 44 1HB TYR 11 1HB TYR 11 1.042 0.517 -6.018 45 2HB TYR 11 1HB TYR 11 1.440 -1.186 -5.874 46 HD1 TYR 11 HD1 TYR 11 -1.194 1.249 -6.400 47 HD2 TYR 11 HD2 TYR 11 -0.383 -2.863 -5.675 48 HE1 TYR 11 HE1 TYR 11 -3.459 0.677 -7.168 49 HE2 TYR 11 HE2 TYR 11 -2.647 -3.452 -6.438 50 HH TYR 11 HH TYR 11 -4.899 -2.289 -6.616 51 H ILE 12 H ILE 12 2.073 1.901 -3.309 52 HA ILE 12 HA ILE 12 -0.433 3.265 -2.601 53 HB ILE 12 HB ILE 12 2.410 3.642 -1.693 54 1HG1 ILE 12 1HG1 ILE 12 0.799 2.157 -0.464 55 2HG1 ILE 12 1HG1 ILE 12 1.473 3.463 0.508 56 1HG2 ILE 12 1HG2 ILE 12 1.679 5.866 -2.352 57 2HG2 ILE 12 2HG2 ILE 12 1.771 5.744 -0.596 58 3HG2 ILE 12 3HG2 ILE 12 0.205 5.681 -1.401 59 1HD1 ILE 12 1HD1 ILE 12 -1.243 3.444 -0.782 60 2HD1 ILE 12 2HD1 ILE 12 -0.572 4.754 0.192 61 3HD1 ILE 12 3HD1 ILE 12 -0.897 3.181 0.928 62 H LEU 13 H LEU 13 -1.218 4.540 -4.089 63 HA LEU 13 HA LEU 13 0.633 5.853 -5.962 64 1HB LEU 13 1HB LEU 13 -2.261 5.092 -6.326 65 2HB LEU 13 1HB LEU 13 -1.298 5.967 -7.503 66 HG LEU 13 HG LEU 13 -0.644 3.185 -6.536 67 1HD1 LEU 13 1HD1 LEU 13 -2.774 3.204 -7.708 68 2HD1 LEU 13 2HD1 LEU 13 -1.525 2.423 -8.679 69 3HD1 LEU 13 3HD1 LEU 13 -2.036 4.070 -9.056 70 1HD2 LEU 13 1HD2 LEU 13 0.815 3.150 -8.513 71 2HD2 LEU 13 2HD2 LEU 13 1.282 4.408 -7.368 72 3HD2 LEU 13 3HD2 LEU 13 0.401 4.832 -8.836 73 H GLU 14 H GLU 14 0.771 7.956 -5.927 74 HA GLU 14 HA GLU 14 -0.947 9.479 -4.144 75 1HB GLU 14 1HB GLU 14 1.496 9.704 -4.013 76 2HB GLU 14 1HB GLU 14 1.538 10.250 -5.681 77 1HG GLU 14 1HG GLU 14 0.423 12.274 -5.126 78 2HG GLU 14 1HG GLU 14 0.079 11.698 -3.493 79 H CYS 15 H CYS 15 -2.690 10.429 -4.887 80 HA CYS 15 HA CYS 15 -3.018 10.793 -7.756 81 1HB CYS 15 1HB CYS 15 -5.023 11.198 -5.526 82 2HB CYS 15 1HB CYS 15 -5.372 11.122 -7.251 83 HG CYS 15 HG CYS 15 -3.791 8.408 -6.113 84 H LYS 16 H LYS 16 -4.508 12.786 -8.243 85 HA LYS 16 HA LYS 16 -3.004 15.097 -8.203 86 1HB LYS 16 1HB LYS 16 -5.223 16.223 -8.764 87 2HB LYS 16 1HB LYS 16 -4.725 14.901 -9.807 88 1HG LYS 16 1HG LYS 16 -6.203 13.378 -8.584 89 2HG LYS 16 1HG LYS 16 -6.713 14.715 -7.554 90 1HD LYS 16 1HD LYS 16 -7.608 15.877 -9.517 91 2HD LYS 16 1HD LYS 16 -7.107 14.525 -10.536 92 1HE LYS 16 1HE LYS 16 -9.498 14.426 -9.944 93 2HE LYS 16 1HE LYS 16 -8.594 13.029 -9.362 94 1HZ LYS 16 1HZ LYS 16 -9.291 15.392 -7.694 95 2HZ LYS 16 2HZ LYS 16 -8.562 13.953 -7.159 96 3HZ LYS 16 3HZ LYS 16 -10.166 13.938 -7.712 97 H ASP 17 H ASP 17 -5.385 13.988 -5.903 98 HA ASP 17 HA ASP 17 -5.776 16.451 -4.544 99 1HB ASP 17 1HB ASP 17 -6.199 13.647 -3.492 100 2HB ASP 17 1HB ASP 17 -6.931 15.123 -2.876 101 H GLY 18 H GLY 18 -3.134 14.362 -4.604 102 1HA GLY 18 2HA GLY 18 -1.242 14.256 -3.252 103 2HA GLY 18 1HA GLY 18 -1.998 15.411 -2.156 104 H SER 19 H SER 19 -4.065 12.955 -2.987 105 HA SER 19 HA SER 19 -3.838 11.734 -0.355 106 1HB SER 19 1HB SER 19 -6.035 12.593 -1.316 107 2HB SER 19 1HB SER 19 -5.954 11.262 -2.466 108 HG SER 19 HG SER 19 -7.185 10.968 -0.406 109 H TRP 20 H TRP 20 -3.455 9.515 -0.080 110 HA TRP 20 HA TRP 20 -2.185 8.277 -2.404 111 1HB TRP 20 1HB TRP 20 -1.847 7.691 0.542 112 2HB TRP 20 1HB TRP 20 -0.973 6.897 -0.764 113 HD1 TRP 20 HD TRP 20 -0.108 9.326 -2.508 114 HE1 TRP 20 HE1 TRP 20 1.599 11.048 -1.640 115 HE3 TRP 20 HE3 TRP 20 -0.617 8.498 2.512 116 HZ2 TRP 20 HZ2 TRP 20 2.599 11.915 0.836 117 HZ3 TRP 20 HZ3 TRP 20 0.765 9.815 4.063 118 HH2 TRP 20 HH TRP 20 2.346 11.482 3.234 119 H TYR 21 H TYR 21 -3.070 6.611 -3.350 120 HA TYR 21 HA TYR 21 -5.327 5.255 -2.099 121 1HB TYR 21 1HB TYR 21 -5.622 5.928 -4.414 122 2HB TYR 21 1HB TYR 21 -4.147 5.096 -4.885 123 HD1 TYR 21 HD1 TYR 21 -7.554 4.510 -3.524 124 HD2 TYR 21 HD2 TYR 21 -4.223 2.857 -5.587 125 HE1 TYR 21 HE1 TYR 21 -8.865 2.491 -4.013 126 HE2 TYR 21 HE2 TYR 21 -5.527 0.830 -6.078 127 HH TYR 21 HH TYR 21 -7.462 -0.377 -5.150 128 H THR 22 H THR 22 -5.071 3.408 -1.036 129 HA THR 22 HA THR 22 -2.516 2.001 -1.275 130 HB THR 22 HB THR 22 -4.679 1.349 0.715 131 HG1 THR 22 HG1 THR 22 -3.068 3.613 0.564 132 1HG2 THR 22 1HG2 THR 22 -2.756 0.648 2.078 133 2HG2 THR 22 2HG2 THR 22 -1.661 1.144 0.785 134 3HG2 THR 22 3HG2 THR 22 -2.785 -0.194 0.529 135 H GLY 23 H GLY 23 -2.635 0.694 -3.022 136 1HA GLY 23 2HA GLY 23 -5.104 -0.820 -3.480 137 2HA GLY 23 1HA GLY 23 -3.800 -0.589 -4.634 138 H TYR 24 H TYR 24 -5.183 -3.011 -3.666 139 HA TYR 24 HA TYR 24 -2.780 -4.523 -2.935 140 1HB TYR 24 1HB TYR 24 -3.908 -4.391 -0.865 141 2HB TYR 24 1HB TYR 24 -5.485 -4.616 -1.613 142 HD1 TYR 24 HD1 TYR 24 -2.272 -6.402 -0.959 143 HD2 TYR 24 HD2 TYR 24 -6.458 -6.724 -1.662 144 HE1 TYR 24 HE1 TYR 24 -2.174 -8.810 -0.471 145 HE2 TYR 24 HE2 TYR 24 -6.362 -9.130 -1.182 146 HH TYR 24 HH TYR 24 -4.872 -10.925 -1.066 147 H THR 25 H THR 25 -2.398 -6.029 -4.378 148 HA THR 25 HA THR 25 -4.577 -7.662 -5.401 149 HB THR 25 HB THR 25 -4.287 -5.877 -7.116 150 HG1 THR 25 HG1 THR 25 -3.305 -7.887 -8.628 151 1HG2 THR 25 1HG2 THR 25 -2.254 -5.760 -8.446 152 2HG2 THR 25 2HG2 THR 25 -1.507 -7.010 -7.456 153 3HG2 THR 25 3HG2 THR 25 -1.885 -5.439 -6.752 154 H THR 26 H THR 26 -3.677 -9.679 -6.433 155 HA THR 26 HA THR 26 -0.870 -10.171 -6.009 156 HB THR 26 HB THR 26 -1.628 -10.603 -3.773 157 HG1 THR 26 HG1 THR 26 -0.172 -12.148 -4.949 158 1HG2 THR 26 1HG2 THR 26 -3.998 -11.006 -4.187 159 2HG2 THR 26 2HG2 THR 26 -3.289 -12.299 -3.219 160 3HG2 THR 26 3HG2 THR 26 -3.611 -12.559 -4.933 161 H ASP 27 H ASP 27 -0.713 -10.576 -8.139 162 HA ASP 27 HA ASP 27 -2.009 -13.011 -9.109 163 1HB ASP 27 1HB ASP 27 -2.388 -11.839 -11.313 164 2HB ASP 27 1HB ASP 27 -3.416 -11.299 -9.987 165 H VAL 28 H VAL 28 -0.768 -14.286 -10.341 166 HA VAL 28 HA VAL 28 1.970 -13.803 -10.822 167 HB VAL 28 HB VAL 28 0.900 -16.065 -10.730 168 1HG1 VAL 28 1HG1 VAL 28 -0.055 -15.383 -13.504 169 2HG1 VAL 28 2HG1 VAL 28 -1.070 -15.601 -12.078 170 3HG1 VAL 28 3HG1 VAL 28 -0.163 -16.966 -12.731 171 1HG2 VAL 28 1HG2 VAL 28 3.154 -15.817 -11.593 172 2HG2 VAL 28 2HG2 VAL 28 2.525 -15.473 -13.202 173 3HG2 VAL 28 3HG2 VAL 28 2.293 -17.068 -12.490 174 H ASP 29 H ASP 29 -0.741 -12.482 -12.278 175 HA ASP 29 HA ASP 29 -0.002 -12.533 -15.015 176 1HB ASP 29 1HB ASP 29 -2.327 -12.150 -14.014 177 2HB ASP 29 1HB ASP 29 -1.816 -10.486 -13.744 178 H ARG 30 H ARG 30 0.376 -10.123 -12.437 179 HA ARG 30 HA ARG 30 1.648 -8.107 -13.846 180 1HB ARG 30 1HB ARG 30 1.048 -7.937 -11.473 181 2HB ARG 30 1HB ARG 30 2.287 -9.114 -11.061 182 1HG ARG 30 1HG ARG 30 3.974 -7.503 -12.000 183 2HG ARG 30 1HG ARG 30 2.666 -6.321 -12.098 184 1HD ARG 30 1HD ARG 30 2.346 -6.352 -9.749 185 2HD ARG 30 1HD ARG 30 3.382 -7.765 -9.558 186 HE ARG 30 HE ARG 30 4.268 -5.012 -10.084 187 1HH1 ARG 30 1HH1 ARG 30 5.027 -8.346 -9.353 188 2HH1 ARG 30 2HH1 ARG 30 6.660 -8.011 -8.867 189 1HH2 ARG 30 1HH2 ARG 30 6.414 -4.550 -9.468 190 2HH2 ARG 30 2HH2 ARG 30 7.444 -5.851 -8.935 191 H ARG 31 H ARG 31 2.974 -11.157 -12.682 192 HA ARG 31 HA ARG 31 5.694 -10.609 -13.248 193 1HB ARG 31 1HB ARG 31 4.082 -13.012 -12.597 194 2HB ARG 31 1HB ARG 31 5.613 -13.292 -13.412 195 1HG ARG 31 1HG ARG 31 5.275 -11.743 -10.851 196 2HG ARG 31 1HG ARG 31 5.796 -13.427 -10.969 197 1HD ARG 31 1HD ARG 31 7.652 -12.578 -12.488 198 2HD ARG 31 1HD ARG 31 7.215 -10.960 -11.937 199 HE ARG 31 HE ARG 31 7.677 -11.896 -9.618 200 1HH1 ARG 31 1HH1 ARG 31 9.245 -13.081 -12.507 201 2HH1 ARG 31 2HH1 ARG 31 10.684 -13.591 -11.689 202 1HH2 ARG 31 1HH2 ARG 31 9.609 -12.546 -8.517 203 2HH2 ARG 31 2HH2 ARG 31 10.895 -13.276 -9.433 204 H ILE 32 H ILE 32 3.283 -12.537 -15.059 205 HA ILE 32 HA ILE 32 4.979 -13.037 -17.246 206 HB ILE 32 HB ILE 32 2.999 -14.401 -16.865 207 1HG1 ILE 32 1HG1 ILE 32 2.864 -12.941 -19.512 208 2HG1 ILE 32 1HG1 ILE 32 3.956 -14.270 -19.137 209 1HG2 ILE 32 1HG2 ILE 32 1.473 -12.693 -16.059 210 2HG2 ILE 32 2HG2 ILE 32 0.758 -13.591 -17.400 211 3HG2 ILE 32 3HG2 ILE 32 1.408 -11.972 -17.668 212 1HD1 ILE 32 1HD1 ILE 32 2.052 -15.759 -18.850 213 2HD1 ILE 32 2HD1 ILE 32 2.058 -15.019 -20.451 214 3HD1 ILE 32 3HD1 ILE 32 0.953 -14.427 -19.208 215 H LYS 33 H LYS 33 2.853 -10.329 -16.512 216 HA LYS 33 HA LYS 33 2.921 -9.066 -19.014 217 1HB LYS 33 1HB LYS 33 2.259 -8.274 -16.274 218 2HB LYS 33 1HB LYS 33 2.923 -6.961 -17.241 219 1HG LYS 33 1HG LYS 33 0.508 -6.986 -17.391 220 2HG LYS 33 1HG LYS 33 1.226 -7.363 -18.956 221 1HD LYS 33 1HD LYS 33 0.878 -9.770 -18.482 222 2HD LYS 33 1HD LYS 33 0.042 -9.322 -16.994 223 1HE LYS 33 1HE LYS 33 -1.572 -8.019 -18.369 224 2HE LYS 33 1HE LYS 33 -0.782 -8.646 -19.816 225 1HZ LYS 33 1HZ LYS 33 -2.684 -9.981 -19.345 226 2HZ LYS 33 2HZ LYS 33 -2.200 -10.208 -17.730 227 3HZ LYS 33 3HZ LYS 33 -1.309 -10.902 -18.990 228 H LYS 34 H LYS 34 5.177 -8.910 -16.295 229 HA LYS 34 HA LYS 34 6.937 -6.991 -17.290 230 1HB LYS 34 1HB LYS 34 7.135 -7.821 -15.026 231 2HB LYS 34 1HB LYS 34 7.457 -9.447 -15.605 232 1HG LYS 34 1HG LYS 34 9.592 -8.748 -16.501 233 2HG LYS 34 1HG LYS 34 9.265 -7.076 -16.035 234 1HD LYS 34 1HD LYS 34 9.273 -7.676 -13.699 235 2HD LYS 34 1HD LYS 34 9.421 -9.387 -14.098 236 1HE LYS 34 1HE LYS 34 11.473 -7.320 -14.863 237 2HE LYS 34 1HE LYS 34 11.548 -8.251 -13.368 238 1HZ LYS 34 1HZ LYS 34 11.436 -9.490 -16.067 239 2HZ LYS 34 2HZ LYS 34 11.765 -10.261 -14.593 240 3HZ LYS 34 3HZ LYS 34 12.883 -9.164 -15.242 241 H HIS 35 H HIS 35 6.874 -10.495 -17.798 242 HA HIS 35 HA HIS 35 9.124 -10.584 -19.521 243 1HB HIS 35 1HB HIS 35 8.373 -12.589 -18.400 244 2HB HIS 35 1HB HIS 35 6.797 -12.489 -19.175 245 HD1 HIS 35 HD1 HIS 35 10.442 -13.078 -20.095 246 HD2 HIS 35 HD2 HIS 35 6.613 -13.856 -21.524 247 HE1 HIS 35 HE1 HIS 35 10.747 -14.590 -22.080 248 HE2 HIS 35 HE2 HIS 35 8.437 -14.890 -23.038 249 H ALA 36 H ALA 36 5.630 -10.570 -20.188 250 HA ALA 36 HA ALA 36 5.819 -10.710 -22.982 251 1HB ALA 36 1HB ALA 36 3.767 -11.182 -21.748 252 2HB ALA 36 2HB ALA 36 3.499 -9.979 -23.012 253 3HB ALA 36 3HB ALA 36 3.625 -9.476 -21.326 254 H SER 37 H SER 37 5.712 -7.919 -20.820 255 HA SER 37 HA SER 37 5.546 -6.005 -22.943 256 1HB SER 37 1HB SER 37 4.808 -5.718 -20.480 257 2HB SER 37 1HB SER 37 6.517 -5.402 -20.161 258 HG SER 37 HG SER 37 6.337 -3.757 -21.853 259 H GLY 38 H GLY 38 8.088 -7.734 -21.413 260 1HA GLY 38 2HA GLY 38 10.173 -5.894 -21.555 261 2HA GLY 38 1HA GLY 38 10.364 -7.637 -21.553 262 H LYS 39 H LYS 39 8.615 -7.505 -24.151 263 HA LYS 39 HA LYS 39 10.723 -7.635 -26.011 264 1HB LYS 39 1HB LYS 39 7.824 -7.049 -26.638 265 2HB LYS 39 1HB LYS 39 9.025 -7.720 -27.731 266 1HG LYS 39 1HG LYS 39 9.173 -9.678 -26.122 267 2HG LYS 39 1HG LYS 39 7.711 -9.027 -25.373 268 1HD LYS 39 1HD LYS 39 8.039 -9.902 -28.244 269 2HD LYS 39 1HD LYS 39 7.118 -10.729 -26.990 270 1HE LYS 39 1HE LYS 39 6.528 -7.957 -28.018 271 2HE LYS 39 1HE LYS 39 5.708 -9.423 -28.553 272 1HZ LYS 39 1HZ LYS 39 4.441 -8.235 -26.864 273 2HZ LYS 39 2HZ LYS 39 5.724 -8.382 -25.767 274 3HZ LYS 39 3HZ LYS 39 4.912 -9.762 -26.309 275 H GLY 40 H GLY 40 8.275 -5.096 -25.478 276 1HA GLY 40 2HA GLY 40 9.878 -3.212 -27.036 277 2HA GLY 40 1HA GLY 40 8.271 -2.916 -26.381 278 H ALA 41 H ALA 41 9.287 -4.131 -23.812 279 HA ALA 41 HA ALA 41 10.354 -3.648 -21.882 280 1HB ALA 41 1HB ALA 41 11.928 -1.584 -23.402 281 2HB ALA 41 2HB ALA 41 12.366 -3.284 -23.254 282 3HB ALA 41 3HB ALA 41 12.312 -2.259 -21.820 283 H LYS 42 H LYS 42 9.255 -0.863 -23.750 284 HA LYS 42 HA LYS 42 8.130 0.299 -21.316 285 1HB LYS 42 1HB LYS 42 9.202 2.452 -21.683 286 2HB LYS 42 1HB LYS 42 10.440 1.206 -21.533 287 1HG LYS 42 1HG LYS 42 10.594 1.107 -23.995 288 2HG LYS 42 1HG LYS 42 9.427 2.422 -24.097 289 1HD LYS 42 1HD LYS 42 10.998 3.847 -22.808 290 2HD LYS 42 1HD LYS 42 12.173 2.530 -22.853 291 1HE LYS 42 1HE LYS 42 11.024 4.020 -25.207 292 2HE LYS 42 1HE LYS 42 12.680 4.101 -24.607 293 1HZ LYS 42 1HZ LYS 42 13.056 1.852 -25.254 294 2HZ LYS 42 2HZ LYS 42 12.373 2.657 -26.587 295 3HZ LYS 42 3HZ LYS 42 11.423 1.627 -25.644 296 H TYR 43 H TYR 43 6.656 2.072 -21.770 297 HA TYR 43 HA TYR 43 6.258 2.823 -24.537 298 1HB TYR 43 1HB TYR 43 4.567 0.898 -23.602 299 2HB TYR 43 1HB TYR 43 3.696 2.363 -23.139 300 HD1 TYR 43 HD1 TYR 43 3.975 0.006 -25.633 301 HD2 TYR 43 HD2 TYR 43 3.780 4.225 -25.132 302 HE1 TYR 43 HE1 TYR 43 3.209 0.240 -27.958 303 HE2 TYR 43 HE2 TYR 43 3.000 4.470 -27.448 304 HH TYR 43 HH TYR 43 3.224 3.144 -29.599 305 H THR 44 H THR 44 6.257 4.954 -24.558 306 HA THR 44 HA THR 44 6.690 6.469 -22.294 307 HB THR 44 HB THR 44 5.529 7.619 -24.826 308 HG1 THR 44 HG1 THR 44 7.198 6.828 -25.839 309 1HG2 THR 44 1HG2 THR 44 5.899 9.187 -22.995 310 2HG2 THR 44 2HG2 THR 44 7.047 9.482 -24.301 311 3HG2 THR 44 3HG2 THR 44 7.566 8.638 -22.842 312 H ARG 45 H ARG 45 3.860 7.133 -24.345 313 HA ARG 45 HA ARG 45 1.801 7.964 -23.838 314 1HB ARG 45 1HB ARG 45 1.945 5.699 -21.843 315 2HB ARG 45 1HB ARG 45 0.468 6.481 -22.388 316 1HG ARG 45 1HG ARG 45 1.093 5.773 -24.723 317 2HG ARG 45 1HG ARG 45 2.352 4.779 -23.986 318 1HD ARG 45 1HD ARG 45 0.374 3.442 -24.391 319 2HD ARG 45 1HD ARG 45 0.636 3.628 -22.656 320 HE ARG 45 HE ARG 45 -1.145 5.311 -22.677 321 1HH1 ARG 45 1HH1 ARG 45 -0.926 3.144 -25.414 322 2HH1 ARG 45 2HH1 ARG 45 -2.595 3.319 -25.857 323 1HH2 ARG 45 1HH2 ARG 45 -3.327 5.552 -23.246 324 2HH2 ARG 45 2HH2 ARG 45 -3.977 4.672 -24.601 325 H GLY 46 H GLY 46 0.941 7.234 -20.859 326 1HA GLY 46 2HA GLY 46 2.305 9.063 -19.199 327 2HA GLY 46 1HA GLY 46 0.859 9.820 -19.856 328 H ARG 47 H ARG 47 -1.154 9.108 -19.237 329 HA ARG 47 HA ARG 47 -2.779 8.157 -17.975 330 1HB ARG 47 1HB ARG 47 -1.737 6.005 -18.754 331 2HB ARG 47 1HB ARG 47 -0.780 5.999 -17.280 332 1HG ARG 47 1HG ARG 47 -2.567 4.577 -16.821 333 2HG ARG 47 1HG ARG 47 -3.008 6.096 -16.039 334 1HD ARG 47 1HD ARG 47 -4.925 5.190 -17.203 335 2HD ARG 47 1HD ARG 47 -4.391 6.672 -17.996 336 HE ARG 47 HE ARG 47 -3.171 4.429 -19.214 337 1HH1 ARG 47 1HH1 ARG 47 -6.303 5.973 -18.943 338 2HH1 ARG 47 2HH1 ARG 47 -6.817 5.485 -20.525 339 1HH2 ARG 47 1HH2 ARG 47 -3.855 3.742 -21.261 340 2HH2 ARG 47 2HH2 ARG 47 -5.430 4.198 -21.841 341 H GLY 48 H GLY 48 -3.129 9.567 -16.369 342 1HA GLY 48 2HA GLY 48 -2.043 8.961 -13.769 343 2HA GLY 48 1HA GLY 48 -1.458 10.483 -14.428 344 HA PRO 49 HA PRO 49 -1.350 11.549 -12.892 345 1HB PRO 49 1HB PRO 49 -2.103 13.060 -10.670 346 2HB PRO 49 1HB PRO 49 -1.776 13.689 -12.286 347 1HG PRO 49 1HG PRO 49 -4.268 13.640 -10.934 348 2HG PRO 49 1HG PRO 49 -3.970 14.122 -12.608 349 1HD PRO 49 1HD PRO 49 -4.989 11.554 -11.528 350 2HD PRO 49 1HD PRO 49 -5.281 12.315 -13.107 351 H PHE 50 H PHE 50 -0.594 9.635 -12.118 352 HA PHE 50 HA PHE 50 -1.195 9.031 -9.307 353 1HB PHE 50 1HB PHE 50 -0.861 7.031 -11.553 354 2HB PHE 50 1HB PHE 50 -0.924 6.609 -9.846 355 HD1 PHE 50 HD1 PHE 50 -2.827 7.431 -12.797 356 HD2 PHE 50 HD2 PHE 50 -3.019 7.005 -8.565 357 HE1 PHE 50 HE1 PHE 50 -5.278 7.276 -12.925 358 HE2 PHE 50 HE2 PHE 50 -5.470 6.846 -8.690 359 HZ PHE 50 HZ PHE 50 -6.601 6.980 -10.873 360 H ARG 51 H ARG 51 0.633 9.791 -8.385 361 HA ARG 51 HA ARG 51 3.209 9.011 -9.541 362 1HB ARG 51 1HB ARG 51 2.652 10.788 -7.154 363 2HB ARG 51 1HB ARG 51 4.215 10.532 -7.920 364 1HG ARG 51 1HG ARG 51 3.200 11.482 -10.028 365 2HG ARG 51 1HG ARG 51 1.819 11.960 -9.041 366 1HD ARG 51 1HD ARG 51 4.685 12.818 -8.641 367 2HD ARG 51 1HD ARG 51 3.388 13.804 -9.312 368 HE ARG 51 HE ARG 51 3.018 12.755 -6.604 369 1HH1 ARG 51 1HH1 ARG 51 3.876 15.476 -8.648 370 2HH1 ARG 51 2HH1 ARG 51 3.596 16.657 -7.400 371 1HH2 ARG 51 1HH2 ARG 51 2.699 14.285 -4.973 372 2HH2 ARG 51 2HH2 ARG 51 2.899 15.986 -5.313 373 H LEU 52 H LEU 52 3.987 7.107 -8.941 374 HA LEU 52 HA LEU 52 2.890 5.673 -6.752 375 1HB LEU 52 1HB LEU 52 3.759 4.621 -8.826 376 2HB LEU 52 1HB LEU 52 5.383 5.066 -8.342 377 HG LEU 52 HG LEU 52 3.869 3.478 -6.364 378 1HD1 LEU 52 1HD1 LEU 52 4.821 2.272 -8.958 379 2HD1 LEU 52 2HD1 LEU 52 3.141 2.436 -8.452 380 3HD1 LEU 52 3HD1 LEU 52 4.232 1.382 -7.553 381 1HD2 LEU 52 1HD2 LEU 52 6.030 2.368 -6.137 382 2HD2 LEU 52 2HD2 LEU 52 6.218 4.120 -6.053 383 3HD2 LEU 52 3HD2 LEU 52 6.645 3.259 -7.530 384 H VAL 53 H VAL 53 3.365 5.860 -4.703 385 HA VAL 53 HA VAL 53 5.702 7.370 -3.871 386 HB VAL 53 HB VAL 53 3.500 6.151 -2.192 387 1HG1 VAL 53 1HG1 VAL 53 5.634 8.164 -1.500 388 2HG1 VAL 53 2HG1 VAL 53 5.455 6.537 -0.845 389 3HG1 VAL 53 3HG1 VAL 53 4.254 7.777 -0.472 390 1HG2 VAL 53 1HG2 VAL 53 3.829 8.966 -3.222 391 2HG2 VAL 53 2HG2 VAL 53 2.590 8.428 -2.088 392 3HG2 VAL 53 3HG2 VAL 53 2.612 7.800 -3.736 393 H ALA 54 H ALA 54 4.262 4.197 -3.081 394 HA ALA 54 HA ALA 54 6.880 2.975 -3.162 395 1HB ALA 54 1HB ALA 54 6.835 3.796 -0.865 396 2HB ALA 54 2HB ALA 54 6.767 2.032 -0.908 397 3HB ALA 54 3HB ALA 54 5.303 2.963 -0.590 398 H THR 55 H THR 55 6.716 0.591 -2.834 399 HA THR 55 HA THR 55 4.094 -0.592 -3.108 400 HB THR 55 HB THR 55 6.114 -0.888 -5.347 401 HG1 THR 55 HG1 THR 55 4.150 0.932 -4.910 402 1HG2 THR 55 1HG2 THR 55 4.335 -2.143 -6.472 403 2HG2 THR 55 2HG2 THR 55 3.303 -1.961 -5.052 404 3HG2 THR 55 3HG2 THR 55 4.784 -2.911 -4.948 405 H TRP 56 H TRP 56 4.094 -2.509 -2.120 406 HA TRP 56 HA TRP 56 6.693 -3.819 -1.617 407 1HB TRP 56 1HB TRP 56 4.258 -3.721 0.178 408 2HB TRP 56 1HB TRP 56 5.743 -4.603 0.524 409 HD1 TRP 56 HD TRP 56 7.874 -3.173 1.269 410 HE1 TRP 56 HE1 TRP 56 8.109 -0.786 2.199 411 HE3 TRP 56 HE3 TRP 56 3.262 -1.360 0.000 412 HZ2 TRP 56 HZ2 TRP 56 6.537 1.555 2.378 413 HZ3 TRP 56 HZ3 TRP 56 2.709 0.965 0.588 414 HH2 TRP 56 HH TRP 56 4.317 2.387 1.753 415 H ALA 57 H ALA 57 6.618 -6.151 -1.367 416 HA ALA 57 HA ALA 57 4.238 -7.446 -2.485 417 1HB ALA 57 1HB ALA 57 7.034 -7.976 -3.493 418 2HB ALA 57 2HB ALA 57 5.793 -7.069 -4.359 419 3HB ALA 57 3HB ALA 57 5.556 -8.782 -4.022 420 H PHE 58 H PHE 58 3.621 -8.821 -0.957 421 HA PHE 58 HA PHE 58 5.697 -10.376 0.457 422 1HB PHE 58 1HB PHE 58 2.930 -9.698 1.487 423 2HB PHE 58 1HB PHE 58 4.217 -10.507 2.373 424 HD1 PHE 58 HD1 PHE 58 2.763 -7.360 1.453 425 HD2 PHE 58 HD2 PHE 58 6.304 -9.212 2.919 426 HE1 PHE 58 HE1 PHE 58 3.554 -5.183 2.286 427 HE2 PHE 58 HE2 PHE 58 7.098 -7.041 3.756 428 HZ PHE 58 HZ PHE 58 5.719 -5.020 3.440 429 HA PRO 59 HA PRO 59 3.733 -13.817 -1.579 430 1HB PRO 59 1HB PRO 59 5.324 -15.547 0.147 431 2HB PRO 59 1HB PRO 59 5.452 -15.292 -1.595 432 1HG PRO 59 1HG PRO 59 7.332 -14.428 0.163 433 2HG PRO 59 1HG PRO 59 6.989 -13.604 -1.369 434 1HD PRO 59 1HD PRO 59 6.097 -12.905 1.402 435 2HD PRO 59 1HD PRO 59 6.650 -11.839 0.092 436 H SER 60 H SER 60 3.678 -13.138 1.778 437 HA SER 60 HA SER 60 2.151 -15.477 2.523 438 1HB SER 60 1HB SER 60 2.836 -13.043 4.187 439 2HB SER 60 1HB SER 60 2.327 -14.627 4.774 440 HG SER 60 HG SER 60 4.750 -13.897 4.544 441 H LYS 61 H LYS 61 0.020 -15.601 2.477 442 HA LYS 61 HA LYS 61 -1.642 -13.573 1.463 443 1HB LYS 61 1HB LYS 61 -2.189 -15.971 1.333 444 2HB LYS 61 1HB LYS 61 -2.408 -16.015 3.077 445 1HG LYS 61 1HG LYS 61 -4.232 -14.318 2.800 446 2HG LYS 61 1HG LYS 61 -4.079 -14.544 1.057 447 1HD LYS 61 1HD LYS 61 -4.546 -16.952 1.367 448 2HD LYS 61 1HD LYS 61 -4.787 -16.656 3.091 449 1HE LYS 61 1HE LYS 61 -6.592 -15.045 2.495 450 2HE LYS 61 1HE LYS 61 -6.399 -15.519 0.807 451 1HZ LYS 61 1HZ LYS 61 -8.169 -16.790 1.609 452 2HZ LYS 61 2HZ LYS 61 -7.394 -17.147 3.071 453 3HZ LYS 61 3HZ LYS 61 -6.855 -17.868 1.631 454 H GLU 62 H GLU 62 -1.329 -14.820 4.778 455 HA GLU 62 HA GLU 62 -3.293 -13.099 5.856 456 1HB GLU 62 1HB GLU 62 -2.447 -13.851 8.048 457 2HB GLU 62 1HB GLU 62 -2.787 -15.180 6.961 458 1HG GLU 62 1HG GLU 62 -0.018 -14.081 7.323 459 2HG GLU 62 1HG GLU 62 -0.685 -15.328 8.373 460 H GLU 63 H GLU 63 0.157 -12.819 5.414 461 HA GLU 63 HA GLU 63 0.556 -10.663 7.212 462 1HB GLU 63 1HB GLU 63 2.354 -12.166 6.377 463 2HB GLU 63 1HB GLU 63 2.184 -11.440 4.787 464 1HG GLU 63 1HG GLU 63 3.043 -9.386 5.508 465 2HG GLU 63 1HG GLU 63 2.850 -9.809 7.211 466 H ALA 64 H ALA 64 -0.080 -10.865 3.736 467 HA ALA 64 HA ALA 64 0.045 -8.063 3.273 468 1HB ALA 64 1HB ALA 64 -0.908 -8.561 1.111 469 2HB ALA 64 2HB ALA 64 -1.363 -10.176 1.654 470 3HB ALA 64 3HB ALA 64 0.339 -9.743 1.507 471 H MET 65 H MET 65 -2.558 -10.297 4.093 472 HA MET 65 HA MET 65 -4.721 -8.537 3.736 473 1HB MET 65 1HB MET 65 -5.016 -10.952 4.048 474 2HB MET 65 1HB MET 65 -4.425 -10.824 5.698 475 1HG MET 65 1HG MET 65 -6.827 -10.995 5.688 476 2HG MET 65 1HG MET 65 -6.339 -9.402 6.264 477 1HE MET 65 1HE MET 65 -7.772 -11.453 3.240 478 2HE MET 65 2HE MET 65 -6.367 -10.664 2.527 479 3HE MET 65 3HE MET 65 -7.990 -10.195 2.024 480 H ARG 66 H ARG 66 -2.795 -9.301 6.608 481 HA ARG 66 HA ARG 66 -3.934 -7.437 8.365 482 1HB ARG 66 1HB ARG 66 -1.188 -8.666 8.180 483 2HB ARG 66 1HB ARG 66 -1.608 -7.531 9.454 484 1HG ARG 66 1HG ARG 66 -3.127 -10.074 8.935 485 2HG ARG 66 1HG ARG 66 -1.781 -9.946 10.072 486 1HD ARG 66 1HD ARG 66 -4.389 -8.435 10.169 487 2HD ARG 66 1HD ARG 66 -3.862 -9.712 11.266 488 HE ARG 66 HE ARG 66 -2.382 -7.165 11.058 489 1HH1 ARG 66 1HH1 ARG 66 -4.096 -9.560 12.986 490 2HH1 ARG 66 2HH1 ARG 66 -3.627 -8.836 14.493 491 1HH2 ARG 66 1HH2 ARG 66 -1.801 -6.229 13.004 492 2HH2 ARG 66 2HH2 ARG 66 -2.349 -6.903 14.514 493 H TRP 67 H TRP 67 -1.275 -7.182 6.082 494 HA TRP 67 HA TRP 67 -0.282 -4.693 6.797 495 1HB TRP 67 1HB TRP 67 0.301 -6.583 4.872 496 2HB TRP 67 1HB TRP 67 -0.204 -5.189 3.922 497 HD1 TRP 67 HD TRP 67 2.539 -6.339 6.314 498 HE1 TRP 67 HE1 TRP 67 4.498 -4.675 6.183 499 HE3 TRP 67 HE3 TRP 67 0.368 -2.763 3.382 500 HZ2 TRP 67 HZ2 TRP 67 5.050 -2.177 4.991 501 HZ3 TRP 67 HZ3 TRP 67 1.676 -0.768 2.789 502 HH2 TRP 67 HH TRP 67 3.968 -0.487 3.577 503 H GLU 68 H GLU 68 -2.527 -5.380 4.082 504 HA GLU 68 HA GLU 68 -2.954 -2.722 3.346 505 1HB GLU 68 1HB GLU 68 -3.712 -4.759 2.062 506 2HB GLU 68 1HB GLU 68 -5.045 -4.899 3.199 507 1HG GLU 68 1HG GLU 68 -5.331 -2.332 2.474 508 2HG GLU 68 1HG GLU 68 -4.621 -2.986 1.001 509 H TYR 69 H TYR 69 -4.909 -4.787 5.448 510 HA TYR 69 HA TYR 69 -6.908 -2.979 6.088 511 1HB TYR 69 1HB TYR 69 -7.000 -5.378 6.612 512 2HB TYR 69 1HB TYR 69 -5.747 -5.161 7.830 513 HD1 TYR 69 HD1 TYR 69 -9.216 -4.168 6.947 514 HD2 TYR 69 HD2 TYR 69 -6.306 -4.571 10.027 515 HE1 TYR 69 HE1 TYR 69 -10.945 -3.716 8.634 516 HE2 TYR 69 HE2 TYR 69 -8.028 -4.126 11.720 517 HH TYR 69 HH TYR 69 -11.361 -4.131 10.995 518 H GLU 70 H GLU 70 -3.909 -3.640 7.923 519 HA GLU 70 HA GLU 70 -4.483 -1.775 9.958 520 1HB GLU 70 1HB GLU 70 -1.912 -3.067 9.075 521 2HB GLU 70 1HB GLU 70 -1.982 -1.935 10.423 522 1HG GLU 70 1HG GLU 70 -3.626 -3.389 11.532 523 2HG GLU 70 1HG GLU 70 -3.484 -4.539 10.204 524 H VAL 71 H VAL 71 -2.506 -1.485 7.010 525 HA VAL 71 HA VAL 71 -1.667 1.173 7.480 526 HB VAL 71 HB VAL 71 -2.021 -0.301 4.862 527 1HG1 VAL 71 1HG1 VAL 71 -0.520 1.392 3.904 528 2HG1 VAL 71 2HG1 VAL 71 -0.581 2.292 5.421 529 3HG1 VAL 71 3HG1 VAL 71 -2.044 2.092 4.450 530 1HG2 VAL 71 1HG2 VAL 71 0.425 -0.556 4.998 531 2HG2 VAL 71 2HG2 VAL 71 -0.414 -1.344 6.336 532 3HG2 VAL 71 3HG2 VAL 71 0.395 0.202 6.590 533 H LYS 72 H LYS 72 -4.518 -0.183 5.966 534 HA LYS 72 HA LYS 72 -5.646 2.066 4.828 535 1HB LYS 72 1HB LYS 72 -6.614 -0.059 4.414 536 2HB LYS 72 1HB LYS 72 -6.880 -0.350 6.127 537 1HG LYS 72 1HG LYS 72 -8.608 1.320 6.189 538 2HG LYS 72 1HG LYS 72 -8.288 1.758 4.510 539 1HD LYS 72 1HD LYS 72 -9.026 -0.380 3.740 540 2HD LYS 72 1HD LYS 72 -9.136 -0.993 5.388 541 1HE LYS 72 1HE LYS 72 -11.329 -0.414 4.400 542 2HE LYS 72 1HE LYS 72 -10.967 0.473 5.878 543 1HZ LYS 72 1HZ LYS 72 -10.506 1.585 3.166 544 2HZ LYS 72 2HZ LYS 72 -10.484 2.416 4.647 545 3HZ LYS 72 3HZ LYS 72 -11.943 1.810 4.032 546 H HIS 73 H HIS 73 -5.831 0.979 8.215 547 HA HIS 73 HA HIS 73 -7.258 3.471 8.819 548 1HB HIS 73 1HB HIS 73 -7.796 2.516 11.017 549 2HB HIS 73 1HB HIS 73 -8.382 1.523 9.694 550 HD1 HIS 73 HD1 HIS 73 -5.713 1.574 12.374 551 HD2 HIS 73 HD2 HIS 73 -7.515 -1.063 9.711 552 HE1 HIS 73 HE1 HIS 73 -4.903 -0.717 13.028 553 HE2 HIS 73 HE2 HIS 73 -6.180 -2.295 11.545 554 H LEU 74 H LEU 74 -4.163 2.769 8.524 555 HA LEU 74 HA LEU 74 -3.004 3.580 10.964 556 1HB LEU 74 1HB LEU 74 -2.013 3.610 8.131 557 2HB LEU 74 1HB LEU 74 -1.076 4.381 9.396 558 HG LEU 74 HG LEU 74 -1.825 1.464 9.226 559 1HD1 LEU 74 1HD1 LEU 74 0.005 2.164 7.765 560 2HD1 LEU 74 2HD1 LEU 74 0.579 1.126 9.068 561 3HD1 LEU 74 3HD1 LEU 74 0.841 2.869 9.149 562 1HD2 LEU 74 1HD2 LEU 74 -0.336 2.933 11.400 563 2HD2 LEU 74 2HD2 LEU 74 -0.517 1.184 11.279 564 3HD2 LEU 74 3HD2 LEU 74 -1.932 2.199 11.546 565 H SER 75 H SER 75 -2.030 5.590 11.529 566 HA SER 75 HA SER 75 -3.778 7.800 11.035 567 1HB SER 75 1HB SER 75 -2.116 8.982 12.558 568 2HB SER 75 1HB SER 75 -2.917 7.568 13.247 569 HG SER 75 HG SER 75 -1.018 6.726 13.512 570 H ARG 76 H ARG 76 -2.924 9.971 10.432 571 HA ARG 76 HA ARG 76 -1.694 9.991 7.933 572 1HB ARG 76 1HB ARG 76 -2.018 12.149 10.011 573 2HB ARG 76 1HB ARG 76 -1.279 12.461 8.446 574 1HG ARG 76 1HG ARG 76 -3.306 11.811 7.314 575 2HG ARG 76 1HG ARG 76 -4.055 11.364 8.847 576 1HD ARG 76 1HD ARG 76 -3.982 13.657 9.597 577 2HD ARG 76 1HD ARG 76 -3.106 14.139 8.142 578 HE ARG 76 HE ARG 76 -5.077 14.104 6.957 579 1HH1 ARG 76 1HH1 ARG 76 -5.586 12.677 10.115 580 2HH1 ARG 76 2HH1 ARG 76 -7.315 12.597 9.941 581 1HH2 ARG 76 1HH2 ARG 76 -7.367 14.002 6.737 582 2HH2 ARG 76 2HH2 ARG 76 -8.312 13.340 8.041 583 H ARG 77 H ARG 77 -0.292 10.271 11.147 584 HA ARG 77 HA ARG 77 2.315 10.996 10.286 585 1HB ARG 77 1HB ARG 77 1.459 11.306 12.606 586 2HB ARG 77 1HB ARG 77 1.517 9.561 12.827 587 1HG ARG 77 1HG ARG 77 3.899 9.546 12.598 588 2HG ARG 77 1HG ARG 77 3.911 11.255 12.154 589 1HD ARG 77 1HD ARG 77 2.922 11.761 14.391 590 2HD ARG 77 1HD ARG 77 3.142 10.065 14.814 591 HE ARG 77 HE ARG 77 5.521 10.394 14.679 592 1HH1 ARG 77 1HH1 ARG 77 3.590 13.304 14.496 593 2HH1 ARG 77 2HH1 ARG 77 4.867 14.351 15.048 594 1HH2 ARG 77 1HH2 ARG 77 7.224 11.774 15.424 595 2HH2 ARG 77 2HH2 ARG 77 6.929 13.484 15.586 596 H LYS 78 H LYS 78 0.763 7.895 11.025 597 HA LYS 78 HA LYS 78 3.075 6.308 10.623 598 1HB LYS 78 1HB LYS 78 0.297 5.864 11.225 599 2HB LYS 78 1HB LYS 78 0.821 4.748 9.969 600 1HG LYS 78 1HG LYS 78 2.084 5.111 12.678 601 2HG LYS 78 1HG LYS 78 1.115 3.738 12.136 602 1HD LYS 78 1HD LYS 78 2.793 3.252 10.409 603 2HD LYS 78 1HD LYS 78 3.766 4.606 10.984 604 1HE LYS 78 1HE LYS 78 3.024 2.146 12.564 605 2HE LYS 78 1HE LYS 78 4.600 2.480 11.843 606 1HZ LYS 78 1HZ LYS 78 4.640 3.012 14.168 607 2HZ LYS 78 2HZ LYS 78 3.287 4.022 14.020 608 3HZ LYS 78 3HZ LYS 78 4.749 4.456 13.284 609 H LYS 79 H LYS 79 0.453 7.357 8.516 610 HA LYS 79 HA LYS 79 1.229 5.901 6.235 611 1HB LYS 79 1HB LYS 79 -0.335 8.463 6.553 612 2HB LYS 79 1HB LYS 79 -0.063 7.700 4.991 613 1HG LYS 79 1HG LYS 79 -1.227 5.715 5.708 614 2HG LYS 79 1HG LYS 79 -1.409 6.374 7.335 615 1HD LYS 79 1HD LYS 79 -2.830 8.137 6.504 616 2HD LYS 79 1HD LYS 79 -2.560 7.620 4.840 617 1HE LYS 79 1HE LYS 79 -3.663 5.499 5.303 618 2HE LYS 79 1HE LYS 79 -3.888 5.970 6.986 619 1HZ LYS 79 1HZ LYS 79 -5.405 7.641 6.371 620 2HZ LYS 79 2HZ LYS 79 -5.859 6.274 5.478 621 3HZ LYS 79 3HZ LYS 79 -5.006 7.532 4.729 622 H GLU 80 H GLU 80 2.135 9.122 7.403 623 HA GLU 80 HA GLU 80 3.743 9.788 5.172 624 1HB GLU 80 1HB GLU 80 2.883 11.403 6.899 625 2HB GLU 80 1HB GLU 80 4.094 10.769 8.005 626 1HG GLU 80 1HG GLU 80 5.866 11.474 6.473 627 2HG GLU 80 1HG GLU 80 4.647 12.126 5.377 628 H GLN 81 H GLN 81 4.363 8.031 8.157 629 HA GLN 81 HA GLN 81 7.161 7.781 7.906 630 1HB GLN 81 1HB GLN 81 5.056 6.139 9.284 631 2HB GLN 81 1HB GLN 81 6.733 5.612 9.259 632 1HG GLN 81 1HG GLN 81 5.854 8.300 10.284 633 2HG GLN 81 1HG GLN 81 6.028 6.869 11.302 634 1HE2 GLN 81 1HE2 GLN 81 7.693 9.297 9.456 635 2HE2 GLN 81 2HE2 GLN 81 9.280 8.937 10.047 636 H LEU 82 H LEU 82 4.495 5.797 6.712 637 HA LEU 82 HA LEU 82 6.136 3.862 5.431 638 1HB LEU 82 1HB LEU 82 3.244 4.652 5.130 639 2HB LEU 82 1HB LEU 82 3.970 3.394 4.142 640 HG LEU 82 HG LEU 82 3.735 3.380 7.155 641 1HD1 LEU 82 1HD1 LEU 82 2.182 1.528 6.771 642 2HD1 LEU 82 2HD1 LEU 82 2.330 1.768 5.031 643 3HD1 LEU 82 3HD1 LEU 82 1.608 3.023 6.036 644 1HD2 LEU 82 1HD2 LEU 82 4.589 1.099 7.020 645 2HD2 LEU 82 2HD2 LEU 82 5.770 2.252 6.399 646 3HD2 LEU 82 3HD2 LEU 82 4.816 1.275 5.281 647 H VAL 83 H VAL 83 4.941 6.988 4.556 648 HA VAL 83 HA VAL 83 5.661 6.734 1.771 649 HB VAL 83 HB VAL 83 4.536 8.974 3.433 650 1HG1 VAL 83 1HG1 VAL 83 5.999 10.051 1.795 651 2HG1 VAL 83 2HG1 VAL 83 4.303 10.317 1.397 652 3HG1 VAL 83 3HG1 VAL 83 5.242 9.123 0.500 653 1HG2 VAL 83 1HG2 VAL 83 2.629 8.665 1.901 654 2HG2 VAL 83 2HG2 VAL 83 3.016 7.217 2.833 655 3HG2 VAL 83 3HG2 VAL 83 3.500 7.333 1.143 656 H SER 84 H SER 84 7.387 7.228 4.554 657 HA SER 84 HA SER 84 9.302 9.126 3.624 658 1HB SER 84 1HB SER 84 9.591 6.993 5.756 659 2HB SER 84 1HB SER 84 10.665 8.373 5.522 660 HG SER 84 HG SER 84 7.933 8.900 5.823 661 H LEU 85 H LEU 85 8.526 6.265 2.383 662 HA LEU 85 HA LEU 85 11.256 5.631 1.499 663 1HB LEU 85 1HB LEU 85 8.751 3.959 1.255 664 2HB LEU 85 1HB LEU 85 10.384 3.459 0.858 665 HG LEU 85 HG LEU 85 9.469 4.184 3.643 666 1HD1 LEU 85 1HD1 LEU 85 8.309 2.190 2.875 667 2HD1 LEU 85 2HD1 LEU 85 9.518 1.780 4.092 668 3HD1 LEU 85 3HD1 LEU 85 9.843 1.472 2.385 669 1HD2 LEU 85 1HD2 LEU 85 11.859 4.488 3.264 670 2HD2 LEU 85 2HD2 LEU 85 11.976 2.843 2.641 671 3HD2 LEU 85 3HD2 LEU 85 11.553 3.118 4.331 672 H LYS 86 H LYS 86 9.086 7.671 0.680 673 HA LYS 86 HA LYS 86 7.966 7.352 -1.759 674 1HB LYS 86 1HB LYS 86 7.755 9.381 -0.462 675 2HB LYS 86 1HB LYS 86 9.452 9.752 -0.708 676 1HG LYS 86 1HG LYS 86 8.075 11.146 -2.111 677 2HG LYS 86 1HG LYS 86 9.035 10.049 -3.104 678 1HD LYS 86 1HD LYS 86 7.118 8.603 -3.407 679 2HD LYS 86 1HD LYS 86 6.148 9.620 -2.335 680 1HE LYS 86 1HE LYS 86 7.359 10.462 -4.970 681 2HE LYS 86 1HE LYS 86 5.660 10.086 -4.685 682 1HZ LYS 86 1HZ LYS 86 5.540 11.943 -3.139 683 2HZ LYS 86 2HZ LYS 86 6.065 12.471 -4.666 684 3HZ LYS 86 3HZ LYS 86 7.180 12.298 -3.400 685 H GLY 87 H GLY 87 8.623 6.776 -3.665 686 1HA GLY 87 2HA GLY 87 10.170 7.613 -5.514 687 2HA GLY 87 1HA GLY 87 11.451 7.127 -4.408 688 H GLY 88 H GLY 88 10.231 4.868 -3.345 689 1HA GLY 88 2HA GLY 88 10.250 2.595 -3.703 690 2HA GLY 88 1HA GLY 88 9.067 2.996 -4.932 691 HA PRO 89 HA PRO 89 12.395 1.250 -7.470 692 1HB PRO 89 1HB PRO 89 11.021 -0.761 -8.527 693 2HB PRO 89 1HB PRO 89 11.564 -0.842 -6.845 694 1HG PRO 89 1HG PRO 89 8.840 -0.338 -7.932 695 2HG PRO 89 1HG PRO 89 9.322 -1.149 -6.434 696 1HD PRO 89 1HD PRO 89 8.495 1.563 -6.745 697 2HD PRO 89 1HD PRO 89 9.103 0.781 -5.275 698 H TYR 90 H TYR 90 11.830 0.315 -9.925 699 HA TYR 90 HA TYR 90 10.701 2.597 -11.339 700 1HB TYR 90 1HB TYR 90 11.605 0.935 -13.302 701 2HB TYR 90 1HB TYR 90 12.585 2.178 -12.529 702 HD1 TYR 90 HD1 TYR 90 11.847 -1.442 -12.618 703 HD2 TYR 90 HD2 TYR 90 14.395 1.602 -11.085 704 HE1 TYR 90 HE1 TYR 90 13.431 -3.163 -11.847 705 HE2 TYR 90 HE2 TYR 90 15.984 -0.105 -10.313 706 HH TYR 90 HH TYR 90 15.820 -3.356 -11.280 707 H GLU 91 H GLU 91 8.623 1.823 -10.399 708 HA GLU 91 HA GLU 91 7.488 -0.597 -11.445 709 1HB GLU 91 1HB GLU 91 6.885 1.302 -9.313 710 2HB GLU 91 1HB GLU 91 5.452 0.731 -10.147 711 1HG GLU 91 1HG GLU 91 7.536 -1.092 -9.021 712 2HG GLU 91 1HG GLU 91 6.084 -0.586 -8.153 713 H ASN 92 H ASN 92 5.151 1.892 -11.172 714 HA ASN 92 HA ASN 92 3.391 2.251 -12.554 715 1HB ASN 92 1HB ASN 92 5.300 3.736 -13.535 716 2HB ASN 92 1HB ASN 92 5.331 2.551 -14.836 717 1HD2 ASN 92 1HD2 ASN 92 4.685 5.276 -15.154 718 2HD2 ASN 92 2HD2 ASN 92 3.037 5.379 -15.664 719 H THR 93 H THR 93 4.126 -0.484 -12.184 720 HA THR 93 HA THR 93 3.198 -1.561 -14.759 721 HB THR 93 HB THR 93 4.529 -3.593 -14.425 722 HG1 THR 93 HG1 THR 93 5.064 -2.391 -11.978 723 1HG2 THR 93 1HG2 THR 93 6.715 -2.673 -14.928 724 2HG2 THR 93 2HG2 THR 93 6.237 -1.110 -14.265 725 3HG2 THR 93 3HG2 THR 93 5.468 -1.720 -15.732 726 H THR 94 H THR 94 3.001 -1.659 -11.277 727 HA THR 94 HA THR 94 1.462 -4.054 -11.148 728 HB THR 94 HB THR 94 1.661 -1.876 -9.062 729 HG1 THR 94 HG1 THR 94 3.729 -2.674 -9.564 730 1HG2 THR 94 1HG2 THR 94 1.004 -4.812 -8.789 731 2HG2 THR 94 2HG2 THR 94 -0.178 -3.509 -8.727 732 3HG2 THR 94 3HG2 THR 94 1.071 -3.623 -7.487 733 H LYS 95 H LYS 95 0.019 -3.417 -12.893 734 HA LYS 95 HA LYS 95 -2.574 -3.060 -11.801 735 1HB LYS 95 1HB LYS 95 -1.924 -0.655 -12.042 736 2HB LYS 95 1HB LYS 95 -1.628 -0.932 -13.752 737 1HG LYS 95 1HG LYS 95 -4.002 -1.559 -14.021 738 2HG LYS 95 1HG LYS 95 -4.271 -1.157 -12.325 739 1HD LYS 95 1HD LYS 95 -3.069 0.843 -14.200 740 2HD LYS 95 1HD LYS 95 -4.816 0.596 -14.148 741 1HE LYS 95 1HE LYS 95 -3.076 1.330 -11.792 742 2HE LYS 95 1HE LYS 95 -4.113 2.442 -12.687 743 1HZ LYS 95 1HZ LYS 95 -4.911 0.199 -10.925 744 2HZ LYS 95 2HZ LYS 95 -5.980 0.841 -12.070 745 3HZ LYS 95 3HZ LYS 95 -5.374 1.832 -10.838 746 H LEU 96 H LEU 96 -0.925 -4.920 -13.193 747 HA LEU 96 HA LEU 96 -0.810 -6.348 -14.933 748 1HB LEU 96 1HB LEU 96 -3.493 -5.287 -15.823 749 2HB LEU 96 1HB LEU 96 -2.785 -6.844 -16.202 750 HG LEU 96 HG LEU 96 -3.840 -5.931 -13.531 751 1HD1 LEU 96 1HD1 LEU 96 -4.730 -8.103 -15.418 752 2HD1 LEU 96 2HD1 LEU 96 -5.553 -6.569 -15.124 753 3HD1 LEU 96 3HD1 LEU 96 -5.424 -7.763 -13.833 754 1HD2 LEU 96 1HD2 LEU 96 -3.273 -8.158 -12.708 755 2HD2 LEU 96 2HD2 LEU 96 -1.833 -7.264 -13.192 756 3HD2 LEU 96 3HD2 LEU 96 -2.480 -8.528 -14.239 757 H SER 97 H SER 97 -2.726 -3.897 -16.586 758 HA SER 97 HA SER 97 -0.631 -2.409 -17.700 759 1HB SER 97 1HB SER 97 -1.741 -4.628 -19.440 760 2HB SER 97 1HB SER 97 -1.062 -3.159 -20.132 761 HG SER 97 HG SER 97 0.440 -4.577 -18.232 762 H THR 98 H THR 98 -3.260 -2.315 -16.442 763 HA THR 98 HA THR 98 -5.203 -1.167 -16.489 764 HB THR 98 HB THR 98 -4.482 0.221 -19.042 765 HG1 THR 98 HG1 THR 98 -2.600 0.693 -18.178 766 1HG2 THR 98 1HG2 THR 98 -5.678 1.115 -16.424 767 2HG2 THR 98 2HG2 THR 98 -6.571 0.760 -17.902 768 3HG2 THR 98 3HG2 THR 98 -5.457 2.128 -17.852 769 H THR 99 H THR 99 -4.765 -1.201 -19.992 770 HA THR 99 HA THR 99 -6.812 -3.285 -20.244 771 HB THR 99 HB THR 99 -7.892 -1.087 -20.652 772 HG1 THR 99 HG1 THR 99 -8.766 -2.766 -21.828 773 1HG2 THR 99 1HG2 THR 99 -7.272 0.233 -22.627 774 2HG2 THR 99 2HG2 THR 99 -5.897 -0.833 -22.907 775 3HG2 THR 99 3HG2 THR 99 -5.961 0.162 -21.452 Start of MODEL 3 1 H MET 6 H MET 6 2.581 -17.165 -6.224 2 HA MET 6 HA MET 6 1.759 -15.344 -7.285 3 1HB MET 6 1HB MET 6 -0.425 -15.503 -5.215 4 2HB MET 6 1HB MET 6 -0.378 -14.278 -6.468 5 1HG MET 6 1HG MET 6 -1.854 -15.893 -7.252 6 2HG MET 6 1HG MET 6 -0.359 -16.191 -8.128 7 1HE MET 6 1HE MET 6 0.389 -19.746 -7.546 8 2HE MET 6 2HE MET 6 1.241 -18.208 -7.693 9 3HE MET 6 3HE MET 6 -0.099 -18.582 -8.778 10 H ASN 7 H ASN 7 2.752 -13.471 -7.233 11 HA ASN 7 HA ASN 7 4.022 -12.568 -4.854 12 1HB ASN 7 1HB ASN 7 3.940 -11.659 -7.695 13 2HB ASN 7 1HB ASN 7 4.512 -10.525 -6.477 14 1HD2 ASN 7 1HD2 ASN 7 5.094 -13.602 -8.022 15 2HD2 ASN 7 2HD2 ASN 7 6.744 -13.741 -7.553 16 H HIS 8 H HIS 8 3.286 -11.260 -3.355 17 HA HIS 8 HA HIS 8 0.806 -9.779 -3.865 18 1HB HIS 8 1HB HIS 8 2.133 -10.228 -1.189 19 2HB HIS 8 1HB HIS 8 0.487 -9.693 -1.491 20 HD1 HIS 8 HD1 HIS 8 2.202 -12.509 -0.366 21 HD2 HIS 8 HD2 HIS 8 -0.897 -11.975 -3.079 22 HE1 HIS 8 HE1 HIS 8 1.019 -14.721 -0.485 23 HE2 HIS 8 HE2 HIS 8 -0.765 -14.424 -2.240 24 H TYR 9 H TYR 9 1.300 -7.831 -4.683 25 HA TYR 9 HA TYR 9 3.424 -6.268 -3.375 26 1HB TYR 9 1HB TYR 9 2.147 -5.952 -6.099 27 2HB TYR 9 1HB TYR 9 3.291 -4.809 -5.413 28 HD1 TYR 9 HD1 TYR 9 2.917 -7.706 -7.411 29 HD2 TYR 9 HD2 TYR 9 5.611 -5.786 -4.738 30 HE1 TYR 9 HE1 TYR 9 4.778 -9.004 -8.363 31 HE2 TYR 9 HE2 TYR 9 7.480 -7.078 -5.685 32 HH TYR 9 HH TYR 9 7.867 -9.148 -6.910 33 H VAL 10 H VAL 10 2.845 -4.608 -2.127 34 HA VAL 10 HA VAL 10 0.095 -3.583 -2.351 35 HB VAL 10 HB VAL 10 2.102 -3.062 -0.148 36 1HG1 VAL 10 1HG1 VAL 10 0.468 -1.280 -0.410 37 2HG1 VAL 10 2HG1 VAL 10 0.165 -2.184 1.074 38 3HG1 VAL 10 3HG1 VAL 10 -0.845 -2.456 -0.345 39 1HG2 VAL 10 1HG2 VAL 10 1.383 -5.430 -0.224 40 2HG2 VAL 10 2HG2 VAL 10 -0.296 -4.892 -0.077 41 3HG2 VAL 10 3HG2 VAL 10 0.850 -4.579 1.233 42 H TYR 11 H TYR 11 0.093 -2.016 -3.877 43 HA TYR 11 HA TYR 11 2.303 -0.087 -3.844 44 1HB TYR 11 1HB TYR 11 1.763 0.462 -6.113 45 2HB TYR 11 1HB TYR 11 1.803 -1.291 -6.004 46 HD1 TYR 11 HD1 TYR 11 -0.046 1.518 -7.095 47 HD2 TYR 11 HD2 TYR 11 -0.519 -2.462 -5.669 48 HE1 TYR 11 HE1 TYR 11 -2.289 1.434 -8.095 49 HE2 TYR 11 HE2 TYR 11 -2.765 -2.553 -6.663 50 HH TYR 11 HH TYR 11 -4.545 -1.005 -7.368 51 H ILE 12 H ILE 12 1.951 1.920 -3.133 52 HA ILE 12 HA ILE 12 -0.854 2.716 -2.793 53 HB ILE 12 HB ILE 12 0.497 2.608 -0.703 54 1HG1 ILE 12 1HG1 ILE 12 -0.397 5.411 -1.395 55 2HG1 ILE 12 1HG1 ILE 12 -1.481 4.095 -0.955 56 1HG2 ILE 12 1HG2 ILE 12 2.021 4.916 -1.890 57 2HG2 ILE 12 2HG2 ILE 12 2.655 3.303 -1.567 58 3HG2 ILE 12 3HG2 ILE 12 2.152 4.338 -0.231 59 1HD1 ILE 12 1HD1 ILE 12 -1.062 5.554 0.935 60 2HD1 ILE 12 2HD1 ILE 12 0.671 5.271 0.789 61 3HD1 ILE 12 3HD1 ILE 12 -0.404 3.945 1.231 62 H LEU 13 H LEU 13 -1.562 3.955 -4.327 63 HA LEU 13 HA LEU 13 0.317 5.490 -5.955 64 1HB LEU 13 1HB LEU 13 -1.927 4.010 -6.597 65 2HB LEU 13 1HB LEU 13 -2.527 5.657 -6.632 66 HG LEU 13 HG LEU 13 -0.585 6.179 -8.195 67 1HD1 LEU 13 1HD1 LEU 13 0.335 4.301 -9.439 68 2HD1 LEU 13 2HD1 LEU 13 -0.561 3.171 -8.422 69 3HD1 LEU 13 3HD1 LEU 13 0.722 4.158 -7.724 70 1HD2 LEU 13 1HD2 LEU 13 -2.922 6.006 -8.914 71 2HD2 LEU 13 2HD2 LEU 13 -2.725 4.264 -9.125 72 3HD2 LEU 13 3HD2 LEU 13 -1.817 5.388 -10.138 73 H GLU 14 H GLU 14 0.321 7.700 -6.063 74 HA GLU 14 HA GLU 14 -1.462 9.119 -4.231 75 1HB GLU 14 1HB GLU 14 1.015 9.692 -4.469 76 2HB GLU 14 1HB GLU 14 0.619 10.319 -6.065 77 1HG GLU 14 1HG GLU 14 -0.769 12.010 -5.154 78 2HG GLU 14 1HG GLU 14 -0.700 11.286 -3.547 79 H CYS 15 H CYS 15 -3.318 9.943 -4.950 80 HA CYS 15 HA CYS 15 -3.810 9.773 -7.837 81 1HB CYS 15 1HB CYS 15 -5.859 10.013 -5.622 82 2HB CYS 15 1HB CYS 15 -6.141 9.550 -7.298 83 HG CYS 15 HG CYS 15 -4.689 7.709 -4.824 84 H LYS 16 H LYS 16 -5.396 11.377 -8.716 85 HA LYS 16 HA LYS 16 -4.393 13.987 -8.492 86 1HB LYS 16 1HB LYS 16 -6.272 14.644 -9.908 87 2HB LYS 16 1HB LYS 16 -5.582 13.131 -10.478 88 1HG LYS 16 1HG LYS 16 -7.376 11.887 -9.412 89 2HG LYS 16 1HG LYS 16 -8.056 13.385 -8.778 90 1HD LYS 16 1HD LYS 16 -8.393 14.173 -11.091 91 2HD LYS 16 1HD LYS 16 -7.771 12.632 -11.686 92 1HE LYS 16 1HE LYS 16 -10.199 12.624 -11.703 93 2HE LYS 16 1HE LYS 16 -9.591 11.465 -10.525 94 1HZ LYS 16 1HZ LYS 16 -10.085 12.999 -8.753 95 2HZ LYS 16 2HZ LYS 16 -11.476 12.799 -9.709 96 3HZ LYS 16 3HZ LYS 16 -10.540 14.202 -9.862 97 H ASP 17 H ASP 17 -6.676 12.324 -6.576 98 HA ASP 17 HA ASP 17 -8.068 14.695 -5.671 99 1HB ASP 17 1HB ASP 17 -8.288 11.897 -4.557 100 2HB ASP 17 1HB ASP 17 -9.455 13.207 -4.408 101 H GLY 18 H GLY 18 -5.136 13.392 -5.010 102 1HA GLY 18 2HA GLY 18 -3.624 14.036 -3.361 103 2HA GLY 18 1HA GLY 18 -4.945 14.775 -2.469 104 H SER 19 H SER 19 -5.984 11.790 -3.283 105 HA SER 19 HA SER 19 -5.480 10.796 -0.600 106 1HB SER 19 1HB SER 19 -7.784 10.747 -1.458 107 2HB SER 19 1HB SER 19 -7.271 9.749 -2.813 108 HG SER 19 HG SER 19 -7.934 8.248 -1.446 109 H TRP 20 H TRP 20 -3.947 9.336 -0.168 110 HA TRP 20 HA TRP 20 -2.560 7.967 -2.290 111 1HB TRP 20 1HB TRP 20 -2.348 7.820 0.717 112 2HB TRP 20 1HB TRP 20 -1.401 6.797 -0.355 113 HD1 TRP 20 HD TRP 20 -0.815 9.188 -2.521 114 HE1 TRP 20 HE1 TRP 20 0.997 10.919 -1.915 115 HE3 TRP 20 HE3 TRP 20 -0.753 8.532 2.549 116 HZ2 TRP 20 HZ2 TRP 20 2.275 11.869 0.413 117 HZ3 TRP 20 HZ3 TRP 20 0.797 9.891 3.892 118 HH2 TRP 20 HH TRP 20 2.281 11.524 2.844 119 H TYR 21 H TYR 21 -3.223 6.177 -3.206 120 HA TYR 21 HA TYR 21 -5.404 4.682 -1.955 121 1HB TYR 21 1HB TYR 21 -5.840 5.431 -4.211 122 2HB TYR 21 1HB TYR 21 -4.335 4.719 -4.785 123 HD1 TYR 21 HD1 TYR 21 -4.344 2.587 -5.691 124 HD2 TYR 21 HD2 TYR 21 -7.581 3.778 -3.195 125 HE1 TYR 21 HE1 TYR 21 -5.518 0.495 -6.227 126 HE2 TYR 21 HE2 TYR 21 -8.761 1.687 -3.724 127 HH TYR 21 HH TYR 21 -8.757 0.004 -5.646 128 H THR 22 H THR 22 -4.678 3.148 -0.649 129 HA THR 22 HA THR 22 -2.266 1.670 -1.178 130 HB THR 22 HB THR 22 -4.368 1.014 0.888 131 HG1 THR 22 HG1 THR 22 -2.607 3.166 0.728 132 1HG2 THR 22 1HG2 THR 22 -2.463 0.134 2.146 133 2HG2 THR 22 2HG2 THR 22 -1.371 0.613 0.845 134 3HG2 THR 22 3HG2 THR 22 -2.579 -0.643 0.567 135 H GLY 23 H GLY 23 -2.418 0.374 -2.953 136 1HA GLY 23 2HA GLY 23 -4.856 -1.250 -3.265 137 2HA GLY 23 1HA GLY 23 -3.737 -0.834 -4.553 138 H TYR 24 H TYR 24 -4.820 -3.403 -3.341 139 HA TYR 24 HA TYR 24 -2.283 -4.721 -2.683 140 1HB TYR 24 1HB TYR 24 -4.081 -5.054 -1.075 141 2HB TYR 24 1HB TYR 24 -5.159 -5.607 -2.349 142 HD1 TYR 24 HD1 TYR 24 -5.440 -7.867 -2.644 143 HD2 TYR 24 HD2 TYR 24 -1.858 -6.477 -0.822 144 HE1 TYR 24 HE1 TYR 24 -4.762 -10.190 -2.226 145 HE2 TYR 24 HE2 TYR 24 -1.165 -8.802 -0.404 146 HH TYR 24 HH TYR 24 -2.790 -11.480 -1.812 147 H THR 25 H THR 25 -1.256 -5.556 -4.377 148 HA THR 25 HA THR 25 -2.841 -6.578 -6.639 149 HB THR 25 HB THR 25 0.051 -5.680 -6.562 150 HG1 THR 25 HG1 THR 25 -2.096 -4.263 -6.686 151 1HG2 THR 25 1HG2 THR 25 -0.255 -7.479 -8.184 152 2HG2 THR 25 2HG2 THR 25 -0.016 -5.940 -9.009 153 3HG2 THR 25 3HG2 THR 25 -1.633 -6.635 -8.885 154 H THR 26 H THR 26 -2.870 -8.665 -7.035 155 HA THR 26 HA THR 26 -0.513 -10.282 -6.471 156 HB THR 26 HB THR 26 -3.292 -11.122 -5.604 157 HG1 THR 26 HG1 THR 26 -1.512 -9.601 -4.382 158 1HG2 THR 26 1HG2 THR 26 -1.874 -12.986 -6.374 159 2HG2 THR 26 2HG2 THR 26 -2.183 -13.064 -4.641 160 3HG2 THR 26 3HG2 THR 26 -0.626 -12.490 -5.231 161 H ASP 27 H ASP 27 -0.452 -9.841 -8.802 162 HA ASP 27 HA ASP 27 -2.092 -11.749 -10.317 163 1HB ASP 27 1HB ASP 27 -1.506 -8.920 -11.243 164 2HB ASP 27 1HB ASP 27 -2.380 -10.148 -12.142 165 H VAL 28 H VAL 28 -0.803 -13.055 -11.478 166 HA VAL 28 HA VAL 28 1.984 -12.694 -11.728 167 HB VAL 28 HB VAL 28 0.173 -14.382 -13.468 168 1HG1 VAL 28 1HG1 VAL 28 3.143 -14.573 -12.972 169 2HG1 VAL 28 2HG1 VAL 28 2.372 -14.039 -14.467 170 3HG1 VAL 28 3HG1 VAL 28 2.179 -15.705 -13.922 171 1HG2 VAL 28 1HG2 VAL 28 -0.085 -14.945 -11.115 172 2HG2 VAL 28 2HG2 VAL 28 1.665 -15.097 -10.944 173 3HG2 VAL 28 3HG2 VAL 28 0.775 -16.228 -11.967 174 H ASP 29 H ASP 29 -0.709 -12.015 -13.887 175 HA ASP 29 HA ASP 29 0.702 -11.289 -16.181 176 1HB ASP 29 1HB ASP 29 -1.392 -10.058 -16.784 177 2HB ASP 29 1HB ASP 29 -1.647 -11.730 -16.317 178 H ARG 30 H ARG 30 -0.326 -9.355 -13.413 179 HA ARG 30 HA ARG 30 0.363 -6.819 -14.303 180 1HB ARG 30 1HB ARG 30 0.222 -8.135 -11.632 181 2HB ARG 30 1HB ARG 30 1.006 -6.567 -11.738 182 1HG ARG 30 1HG ARG 30 -1.799 -7.151 -12.662 183 2HG ARG 30 1HG ARG 30 -1.367 -6.423 -11.113 184 1HD ARG 30 1HD ARG 30 -0.118 -4.675 -12.467 185 2HD ARG 30 1HD ARG 30 -0.976 -5.313 -13.871 186 HE ARG 30 HE ARG 30 -2.507 -4.408 -11.533 187 1HH1 ARG 30 1HH1 ARG 30 -1.703 -4.116 -14.920 188 2HH1 ARG 30 2HH1 ARG 30 -2.874 -2.870 -15.229 189 1HH2 ARG 30 1HH2 ARG 30 -4.040 -2.765 -11.910 190 2HH2 ARG 30 2HH2 ARG 30 -4.214 -2.095 -13.508 191 H ARG 31 H ARG 31 2.347 -9.254 -12.713 192 HA ARG 31 HA ARG 31 4.589 -7.568 -12.387 193 1HB ARG 31 1HB ARG 31 3.990 -9.624 -11.036 194 2HB ARG 31 1HB ARG 31 4.556 -10.584 -12.390 195 1HG ARG 31 1HG ARG 31 6.790 -9.556 -12.142 196 2HG ARG 31 1HG ARG 31 6.196 -8.699 -10.715 197 1HD ARG 31 1HD ARG 31 5.590 -10.932 -9.747 198 2HD ARG 31 1HD ARG 31 6.426 -11.679 -11.107 199 HE ARG 31 HE ARG 31 7.810 -9.861 -9.240 200 1HH1 ARG 31 1HH1 ARG 31 7.574 -12.900 -10.972 201 2HH1 ARG 31 2HH1 ARG 31 9.080 -13.518 -10.356 202 1HH2 ARG 31 1HH2 ARG 31 9.809 -10.665 -8.440 203 2HH2 ARG 31 2HH2 ARG 31 10.361 -12.233 -8.942 204 H ILE 32 H ILE 32 3.923 -10.258 -14.633 205 HA ILE 32 HA ILE 32 6.409 -10.164 -15.935 206 HB ILE 32 HB ILE 32 5.092 -12.151 -16.090 207 1HG1 ILE 32 1HG1 ILE 32 5.301 -10.858 -18.815 208 2HG1 ILE 32 1HG1 ILE 32 6.608 -11.667 -17.960 209 1HG2 ILE 32 1HG2 ILE 32 3.006 -12.294 -17.354 210 2HG2 ILE 32 2HG2 ILE 32 3.048 -10.549 -17.618 211 3HG2 ILE 32 3HG2 ILE 32 2.864 -11.193 -15.986 212 1HD1 ILE 32 1HD1 ILE 32 5.396 -13.769 -18.074 213 2HD1 ILE 32 2HD1 ILE 32 5.649 -13.085 -19.683 214 3HD1 ILE 32 3HD1 ILE 32 4.067 -12.963 -18.910 215 H LYS 33 H LYS 33 3.269 -8.779 -16.996 216 HA LYS 33 HA LYS 33 4.238 -7.783 -19.434 217 1HB LYS 33 1HB LYS 33 1.890 -6.909 -17.760 218 2HB LYS 33 1HB LYS 33 2.216 -6.301 -19.376 219 1HG LYS 33 1HG LYS 33 2.042 -8.597 -20.253 220 2HG LYS 33 1HG LYS 33 1.648 -9.164 -18.628 221 1HD LYS 33 1HD LYS 33 -0.385 -8.889 -19.907 222 2HD LYS 33 1HD LYS 33 -0.327 -7.684 -18.621 223 1HE LYS 33 1HE LYS 33 -1.111 -6.661 -20.671 224 2HE LYS 33 1HE LYS 33 0.473 -6.016 -20.247 225 1HZ LYS 33 1HZ LYS 33 0.167 -6.576 -22.641 226 2HZ LYS 33 2HZ LYS 33 0.071 -8.213 -22.209 227 3HZ LYS 33 3HZ LYS 33 1.492 -7.340 -21.918 228 H LYS 34 H LYS 34 3.794 -6.126 -16.310 229 HA LYS 34 HA LYS 34 4.628 -3.597 -17.195 230 1HB LYS 34 1HB LYS 34 3.456 -4.240 -15.000 231 2HB LYS 34 1HB LYS 34 5.065 -4.613 -14.394 232 1HG LYS 34 1HG LYS 34 4.382 -2.383 -13.728 233 2HG LYS 34 1HG LYS 34 5.767 -2.308 -14.822 234 1HD LYS 34 1HD LYS 34 4.327 -1.723 -16.672 235 2HD LYS 34 1HD LYS 34 2.892 -1.947 -15.675 236 1HE LYS 34 1HE LYS 34 3.405 0.417 -15.917 237 2HE LYS 34 1HE LYS 34 3.597 -0.092 -14.239 238 1HZ LYS 34 1HZ LYS 34 5.748 0.420 -16.219 239 2HZ LYS 34 2HZ LYS 34 6.018 -0.308 -14.715 240 3HZ LYS 34 3HZ LYS 34 5.434 1.278 -14.793 241 H HIS 35 H HIS 35 6.420 -6.395 -16.093 242 HA HIS 35 HA HIS 35 8.947 -5.143 -15.808 243 1HB HIS 35 1HB HIS 35 8.376 -7.387 -14.890 244 2HB HIS 35 1HB HIS 35 8.356 -8.025 -16.530 245 HD1 HIS 35 HD1 HIS 35 10.532 -8.881 -17.424 246 HD2 HIS 35 HD2 HIS 35 11.029 -6.440 -14.082 247 HE1 HIS 35 HE1 HIS 35 12.967 -9.044 -16.809 248 HE2 HIS 35 HE2 HIS 35 13.242 -7.592 -14.768 249 H ALA 36 H ALA 36 7.506 -7.014 -18.471 250 HA ALA 36 HA ALA 36 9.622 -6.716 -20.294 251 1HB ALA 36 1HB ALA 36 6.687 -7.074 -20.891 252 2HB ALA 36 2HB ALA 36 7.833 -8.371 -20.555 253 3HB ALA 36 3HB ALA 36 8.022 -7.381 -22.003 254 H SER 37 H SER 37 6.870 -4.665 -19.574 255 HA SER 37 HA SER 37 7.184 -2.893 -21.771 256 1HB SER 37 1HB SER 37 5.901 -2.387 -19.076 257 2HB SER 37 1HB SER 37 5.659 -1.429 -20.536 258 HG SER 37 HG SER 37 4.901 -4.131 -20.091 259 H GLY 38 H GLY 38 8.592 -3.131 -18.600 260 1HA GLY 38 2HA GLY 38 9.672 -0.507 -18.491 261 2HA GLY 38 1HA GLY 38 10.188 -1.880 -17.521 262 H LYS 39 H LYS 39 11.410 -3.581 -18.818 263 HA LYS 39 HA LYS 39 13.325 -4.163 -19.889 264 1HB LYS 39 1HB LYS 39 11.490 -3.813 -21.697 265 2HB LYS 39 1HB LYS 39 12.452 -2.419 -22.164 266 1HG LYS 39 1HG LYS 39 14.355 -3.824 -22.620 267 2HG LYS 39 1HG LYS 39 13.489 -5.245 -22.025 268 1HD LYS 39 1HD LYS 39 11.752 -4.721 -23.817 269 2HD LYS 39 1HD LYS 39 12.955 -3.622 -24.495 270 1HE LYS 39 1HE LYS 39 14.528 -5.463 -24.734 271 2HE LYS 39 1HE LYS 39 13.367 -6.568 -24.003 272 1HZ LYS 39 1HZ LYS 39 13.279 -5.279 -26.647 273 2HZ LYS 39 2HZ LYS 39 11.845 -5.810 -25.909 274 3HZ LYS 39 3HZ LYS 39 13.087 -6.917 -26.249 275 H GLY 40 H GLY 40 13.452 -1.282 -21.832 276 1HA GLY 40 2HA GLY 40 15.891 -0.464 -20.403 277 2HA GLY 40 1HA GLY 40 15.484 -0.039 -22.061 278 H ALA 41 H ALA 41 15.814 1.225 -19.097 279 HA ALA 41 HA ALA 41 13.535 3.064 -19.368 280 1HB ALA 41 1HB ALA 41 13.798 3.527 -16.993 281 2HB ALA 41 2HB ALA 41 15.187 2.442 -16.928 282 3HB ALA 41 3HB ALA 41 13.581 1.802 -17.285 283 H LYS 42 H LYS 42 14.364 4.572 -20.751 284 HA LYS 42 HA LYS 42 16.252 6.421 -19.462 285 1HB LYS 42 1HB LYS 42 16.084 5.884 -22.439 286 2HB LYS 42 1HB LYS 42 17.075 7.117 -21.682 287 1HG LYS 42 1HG LYS 42 18.193 5.174 -20.441 288 2HG LYS 42 1HG LYS 42 17.420 4.146 -21.651 289 1HD LYS 42 1HD LYS 42 19.415 6.362 -22.099 290 2HD LYS 42 1HD LYS 42 19.608 4.646 -22.459 291 1HE LYS 42 1HE LYS 42 17.892 4.802 -24.182 292 2HE LYS 42 1HE LYS 42 17.641 6.503 -23.798 293 1HZ LYS 42 1HZ LYS 42 20.046 6.828 -24.383 294 2HZ LYS 42 2HZ LYS 42 19.031 6.434 -25.679 295 3HZ LYS 42 3HZ LYS 42 20.040 5.248 -25.006 296 H TYR 43 H TYR 43 13.326 6.162 -19.486 297 HA TYR 43 HA TYR 43 12.574 8.518 -21.073 298 1HB TYR 43 1HB TYR 43 10.940 6.116 -20.247 299 2HB TYR 43 1HB TYR 43 10.235 7.571 -20.943 300 HD1 TYR 43 HD1 TYR 43 12.250 4.590 -21.600 301 HD2 TYR 43 HD2 TYR 43 10.564 8.109 -23.289 302 HE1 TYR 43 HE1 TYR 43 12.666 3.702 -23.854 303 HE2 TYR 43 HE2 TYR 43 10.970 7.227 -25.547 304 HH TYR 43 HH TYR 43 11.826 3.987 -26.123 305 H THR 44 H THR 44 10.268 9.234 -20.060 306 HA THR 44 HA THR 44 10.183 9.367 -17.221 307 HB THR 44 HB THR 44 12.036 10.957 -17.614 308 HG1 THR 44 HG1 THR 44 10.886 11.590 -15.874 309 1HG2 THR 44 1HG2 THR 44 11.643 13.060 -18.812 310 2HG2 THR 44 2HG2 THR 44 10.040 12.492 -19.278 311 3HG2 THR 44 3HG2 THR 44 11.477 11.665 -19.876 312 H ARG 45 H ARG 45 8.684 11.754 -17.049 313 HA ARG 45 HA ARG 45 6.642 12.681 -17.421 314 1HB ARG 45 1HB ARG 45 6.534 11.166 -20.035 315 2HB ARG 45 1HB ARG 45 5.578 12.568 -19.582 316 1HG ARG 45 1HG ARG 45 7.530 13.973 -19.638 317 2HG ARG 45 1HG ARG 45 8.567 12.575 -19.936 318 1HD ARG 45 1HD ARG 45 7.245 12.176 -22.034 319 2HD ARG 45 1HD ARG 45 6.461 13.730 -21.756 320 HE ARG 45 HE ARG 45 9.311 13.939 -21.741 321 1HH1 ARG 45 1HH1 ARG 45 6.528 13.717 -23.852 322 2HH1 ARG 45 2HH1 ARG 45 7.315 14.489 -25.195 323 1HH2 ARG 45 1HH2 ARG 45 10.351 14.970 -23.487 324 2HH2 ARG 45 2HH2 ARG 45 9.485 15.244 -24.968 325 H GLY 46 H GLY 46 4.286 12.049 -17.753 326 1HA GLY 46 2HA GLY 46 3.785 9.189 -17.368 327 2HA GLY 46 1HA GLY 46 3.238 10.293 -16.114 328 H ARG 47 H ARG 47 1.761 8.520 -18.006 329 HA ARG 47 HA ARG 47 0.378 10.141 -19.871 330 1HB ARG 47 1HB ARG 47 -0.205 7.475 -18.614 331 2HB ARG 47 1HB ARG 47 -1.376 8.251 -19.668 332 1HG ARG 47 1HG ARG 47 1.450 7.835 -20.564 333 2HG ARG 47 1HG ARG 47 0.264 6.533 -20.666 334 1HD ARG 47 1HD ARG 47 0.434 7.773 -22.774 335 2HD ARG 47 1HD ARG 47 -1.167 7.921 -22.058 336 HE ARG 47 HE ARG 47 0.719 10.071 -21.485 337 1HH1 ARG 47 1HH1 ARG 47 -1.933 8.926 -23.478 338 2HH1 ARG 47 2HH1 ARG 47 -2.444 10.527 -23.931 339 1HH2 ARG 47 1HH2 ARG 47 0.042 12.165 -22.077 340 2HH2 ARG 47 2HH2 ARG 47 -1.310 12.367 -23.158 341 H GLY 48 H GLY 48 -0.343 9.146 -16.556 342 1HA GLY 48 2HA GLY 48 -1.255 10.924 -15.125 343 2HA GLY 48 1HA GLY 48 -2.312 11.340 -16.466 344 HA PRO 49 HA PRO 49 -3.530 12.148 -14.732 345 1HB PRO 49 1HB PRO 49 -4.837 11.691 -12.173 346 2HB PRO 49 1HB PRO 49 -5.459 12.512 -13.606 347 1HG PRO 49 1HG PRO 49 -6.419 10.118 -12.734 348 2HG PRO 49 1HG PRO 49 -6.428 10.612 -14.438 349 1HD PRO 49 1HD PRO 49 -4.526 8.788 -13.004 350 2HD PRO 49 1HD PRO 49 -5.252 8.619 -14.619 351 H PHE 50 H PHE 50 -2.612 9.641 -12.470 352 HA PHE 50 HA PHE 50 -0.542 11.319 -11.340 353 1HB PHE 50 1HB PHE 50 -3.039 10.950 -10.031 354 2HB PHE 50 1HB PHE 50 -1.809 10.089 -9.113 355 HD1 PHE 50 HD1 PHE 50 -2.967 13.360 -10.257 356 HD2 PHE 50 HD2 PHE 50 0.009 11.262 -8.062 357 HE1 PHE 50 HE1 PHE 50 -2.221 15.480 -9.257 358 HE2 PHE 50 HE2 PHE 50 0.759 13.377 -7.054 359 HZ PHE 50 HZ PHE 50 -0.355 15.490 -7.650 360 H ARG 51 H ARG 51 0.216 9.565 -9.173 361 HA ARG 51 HA ARG 51 1.033 7.248 -10.733 362 1HB ARG 51 1HB ARG 51 3.410 7.771 -10.659 363 2HB ARG 51 1HB ARG 51 2.522 8.966 -11.586 364 1HG ARG 51 1HG ARG 51 2.677 10.553 -9.792 365 2HG ARG 51 1HG ARG 51 3.383 9.337 -8.724 366 1HD ARG 51 1HD ARG 51 5.130 10.776 -9.561 367 2HD ARG 51 1HD ARG 51 5.317 9.166 -10.255 368 HE ARG 51 HE ARG 51 3.934 11.251 -11.803 369 1HH1 ARG 51 1HH1 ARG 51 6.708 9.134 -11.392 370 2HH1 ARG 51 2HH1 ARG 51 7.318 9.446 -12.989 371 1HH2 ARG 51 1HH2 ARG 51 4.751 11.655 -13.872 372 2HH2 ARG 51 2HH2 ARG 51 6.213 10.872 -14.399 373 H LEU 52 H LEU 52 3.082 6.266 -9.536 374 HA LEU 52 HA LEU 52 1.973 5.301 -7.073 375 1HB LEU 52 1HB LEU 52 2.991 3.820 -8.744 376 2HB LEU 52 1HB LEU 52 4.532 4.625 -8.529 377 HG LEU 52 HG LEU 52 4.557 3.826 -6.164 378 1HD1 LEU 52 1HD1 LEU 52 3.030 2.019 -5.542 379 2HD1 LEU 52 2HD1 LEU 52 2.164 2.226 -7.066 380 3HD1 LEU 52 3HD1 LEU 52 2.161 3.520 -5.865 381 1HD2 LEU 52 1HD2 LEU 52 4.340 1.695 -8.287 382 2HD2 LEU 52 2HD2 LEU 52 5.162 1.532 -6.737 383 3HD2 LEU 52 3HD2 LEU 52 5.770 2.665 -7.942 384 H VAL 53 H VAL 53 2.909 5.359 -5.028 385 HA VAL 53 HA VAL 53 4.986 7.412 -4.637 386 HB VAL 53 HB VAL 53 3.033 6.365 -2.585 387 1HG1 VAL 53 1HG1 VAL 53 5.070 7.229 -1.606 388 2HG1 VAL 53 2HG1 VAL 53 3.736 8.337 -1.291 389 3HG1 VAL 53 3HG1 VAL 53 4.919 8.714 -2.543 390 1HG2 VAL 53 1HG2 VAL 53 1.834 7.551 -4.341 391 2HG2 VAL 53 2HG2 VAL 53 2.929 8.924 -4.177 392 3HG2 VAL 53 3HG2 VAL 53 1.849 8.495 -2.849 393 H ALA 54 H ALA 54 3.835 4.328 -3.253 394 HA ALA 54 HA ALA 54 6.587 3.419 -3.010 395 1HB ALA 54 1HB ALA 54 6.333 2.809 -0.643 396 2HB ALA 54 2HB ALA 54 4.766 3.623 -0.608 397 3HB ALA 54 3HB ALA 54 6.240 4.553 -0.886 398 H THR 55 H THR 55 6.634 1.108 -2.223 399 HA THR 55 HA THR 55 4.216 -0.424 -2.632 400 HB THR 55 HB THR 55 6.582 -0.834 -4.480 401 HG1 THR 55 HG1 THR 55 4.313 0.700 -4.671 402 1HG2 THR 55 1HG2 THR 55 3.880 -2.182 -4.370 403 2HG2 THR 55 2HG2 THR 55 5.418 -2.913 -3.918 404 3HG2 THR 55 3HG2 THR 55 5.117 -2.459 -5.596 405 H TRP 56 H TRP 56 4.269 -2.296 -1.520 406 HA TRP 56 HA TRP 56 6.857 -3.204 -0.438 407 1HB TRP 56 1HB TRP 56 4.183 -3.144 0.988 408 2HB TRP 56 1HB TRP 56 5.658 -3.844 1.637 409 HD1 TRP 56 HD TRP 56 7.493 -2.177 2.594 410 HE1 TRP 56 HE1 TRP 56 7.420 0.321 3.208 411 HE3 TRP 56 HE3 TRP 56 3.125 -0.885 0.259 412 HZ2 TRP 56 HZ2 TRP 56 5.745 2.533 2.766 413 HZ3 TRP 56 HZ3 TRP 56 2.359 1.445 0.406 414 HH2 TRP 56 HH TRP 56 3.644 3.119 1.633 415 H ALA 57 H ALA 57 6.734 -5.551 0.277 416 HA ALA 57 HA ALA 57 4.785 -7.106 -1.250 417 1HB ALA 57 1HB ALA 57 6.702 -6.855 -2.730 418 2HB ALA 57 2HB ALA 57 6.544 -8.525 -2.195 419 3HB ALA 57 3HB ALA 57 7.769 -7.483 -1.476 420 H PHE 58 H PHE 58 4.111 -8.885 -0.207 421 HA PHE 58 HA PHE 58 5.705 -9.856 2.066 422 1HB PHE 58 1HB PHE 58 2.695 -9.541 2.084 423 2HB PHE 58 1HB PHE 58 3.679 -10.192 3.386 424 HD1 PHE 58 HD1 PHE 58 2.623 -7.158 1.650 425 HD2 PHE 58 HD2 PHE 58 5.041 -8.749 4.773 426 HE1 PHE 58 HE1 PHE 58 2.881 -4.903 2.592 427 HE2 PHE 58 HE2 PHE 58 5.303 -6.493 5.721 428 HZ PHE 58 HZ PHE 58 4.225 -4.570 4.628 429 HA PRO 59 HA PRO 59 5.236 -13.695 -0.082 430 1HB PRO 59 1HB PRO 59 5.964 -14.953 2.484 431 2HB PRO 59 1HB PRO 59 6.805 -15.001 0.932 432 1HG PRO 59 1HG PRO 59 7.769 -13.603 3.002 433 2HG PRO 59 1HG PRO 59 7.936 -13.025 1.334 434 1HD PRO 59 1HD PRO 59 5.992 -12.174 3.448 435 2HD PRO 59 1HD PRO 59 6.896 -11.181 2.283 436 H SER 60 H SER 60 3.529 -12.928 2.860 437 HA SER 60 HA SER 60 1.791 -15.268 2.422 438 1HB SER 60 1HB SER 60 3.099 -15.466 4.511 439 2HB SER 60 1HB SER 60 2.425 -13.933 5.068 440 HG SER 60 HG SER 60 1.215 -16.446 4.816 441 H LYS 61 H LYS 61 -0.309 -14.897 2.135 442 HA LYS 61 HA LYS 61 -1.333 -12.310 1.786 443 1HB LYS 61 1HB LYS 61 -3.507 -13.366 1.531 444 2HB LYS 61 1HB LYS 61 -2.279 -14.285 0.676 445 1HG LYS 61 1HG LYS 61 -2.205 -15.869 2.582 446 2HG LYS 61 1HG LYS 61 -3.543 -14.981 3.319 447 1HD LYS 61 1HD LYS 61 -4.881 -15.432 1.270 448 2HD LYS 61 1HD LYS 61 -3.561 -16.438 0.676 449 1HE LYS 61 1HE LYS 61 -5.203 -17.871 1.668 450 2HE LYS 61 1HE LYS 61 -3.792 -17.837 2.725 451 1HZ LYS 61 1HZ LYS 61 -5.942 -17.655 3.910 452 2HZ LYS 61 2HZ LYS 61 -6.218 -16.173 3.133 453 3HZ LYS 61 3HZ LYS 61 -4.909 -16.341 4.200 454 H GLU 62 H GLU 62 -1.192 -14.396 4.573 455 HA GLU 62 HA GLU 62 -3.166 -13.212 6.168 456 1HB GLU 62 1HB GLU 62 -0.567 -14.515 6.994 457 2HB GLU 62 1HB GLU 62 -1.922 -14.195 8.060 458 1HG GLU 62 1HG GLU 62 -1.901 -16.061 5.705 459 2HG GLU 62 1HG GLU 62 -1.900 -16.516 7.409 460 H GLU 63 H GLU 63 0.312 -12.616 5.988 461 HA GLU 63 HA GLU 63 0.366 -10.482 7.827 462 1HB GLU 63 1HB GLU 63 2.249 -11.132 5.547 463 2HB GLU 63 1HB GLU 63 2.585 -9.979 6.831 464 1HG GLU 63 1HG GLU 63 2.140 -12.933 7.175 465 2HG GLU 63 1HG GLU 63 3.689 -12.096 7.238 466 H ALA 64 H ALA 64 -0.097 -10.652 4.352 467 HA ALA 64 HA ALA 64 0.107 -7.898 3.795 468 1HB ALA 64 1HB ALA 64 0.268 -9.650 2.087 469 2HB ALA 64 2HB ALA 64 -0.940 -8.434 1.673 470 3HB ALA 64 3HB ALA 64 -1.447 -10.005 2.296 471 H MET 65 H MET 65 -2.704 -9.939 4.568 472 HA MET 65 HA MET 65 -4.639 -7.936 4.095 473 1HB MET 65 1HB MET 65 -4.758 -10.429 5.789 474 2HB MET 65 1HB MET 65 -6.146 -9.391 5.491 475 1HG MET 65 1HG MET 65 -5.896 -9.797 3.076 476 2HG MET 65 1HG MET 65 -4.567 -10.903 3.425 477 1HE MET 65 1HE MET 65 -6.412 -13.719 5.458 478 2HE MET 65 2HE MET 65 -5.708 -12.262 6.162 479 3HE MET 65 3HE MET 65 -4.857 -13.122 4.876 480 H ARG 66 H ARG 66 -3.004 -8.968 7.074 481 HA ARG 66 HA ARG 66 -4.421 -7.179 8.768 482 1HB ARG 66 1HB ARG 66 -1.681 -8.404 9.180 483 2HB ARG 66 1HB ARG 66 -2.655 -7.623 10.418 484 1HG ARG 66 1HG ARG 66 -4.405 -9.365 10.017 485 2HG ARG 66 1HG ARG 66 -3.244 -10.195 8.979 486 1HD ARG 66 1HD ARG 66 -2.862 -9.537 11.901 487 2HD ARG 66 1HD ARG 66 -3.252 -11.126 11.244 488 HE ARG 66 HE ARG 66 -1.036 -10.937 10.054 489 1HH1 ARG 66 1HH1 ARG 66 -1.662 -9.232 13.057 490 2HH1 ARG 66 2HH1 ARG 66 0.003 -9.236 13.550 491 1HH2 ARG 66 1HH2 ARG 66 1.151 -10.960 10.701 492 2HH2 ARG 66 2HH2 ARG 66 1.606 -10.201 12.210 493 H TRP 67 H TRP 67 -1.397 -7.016 7.013 494 HA TRP 67 HA TRP 67 -0.352 -4.635 7.963 495 1HB TRP 67 1HB TRP 67 1.210 -5.510 6.606 496 2HB TRP 67 1HB TRP 67 0.017 -6.418 5.694 497 HD1 TRP 67 HD TRP 67 -0.734 -5.450 3.382 498 HE1 TRP 67 HE1 TRP 67 0.116 -3.511 1.939 499 HE3 TRP 67 HE3 TRP 67 2.219 -3.145 6.807 500 HZ2 TRP 67 HZ2 TRP 67 1.836 -1.313 2.195 501 HZ3 TRP 67 HZ3 TRP 67 3.469 -1.118 6.130 502 HH2 TRP 67 HH TRP 67 3.264 -0.238 3.854 503 H GLU 68 H GLU 68 -2.301 -5.064 5.023 504 HA GLU 68 HA GLU 68 -2.527 -2.384 4.309 505 1HB GLU 68 1HB GLU 68 -3.151 -4.339 2.888 506 2HB GLU 68 1HB GLU 68 -4.605 -4.524 3.835 507 1HG GLU 68 1HG GLU 68 -5.039 -2.046 3.191 508 2HG GLU 68 1HG GLU 68 -3.880 -2.371 1.904 509 H TYR 69 H TYR 69 -4.668 -4.383 6.252 510 HA TYR 69 HA TYR 69 -6.676 -2.523 6.776 511 1HB TYR 69 1HB TYR 69 -6.738 -4.952 7.373 512 2HB TYR 69 1HB TYR 69 -5.642 -4.611 8.707 513 HD1 TYR 69 HD1 TYR 69 -8.992 -3.739 7.351 514 HD2 TYR 69 HD2 TYR 69 -6.496 -3.953 10.790 515 HE1 TYR 69 HE1 TYR 69 -10.927 -3.233 8.780 516 HE2 TYR 69 HE2 TYR 69 -8.424 -3.442 12.225 517 HH TYR 69 HH TYR 69 -11.631 -3.546 11.101 518 H GLU 70 H GLU 70 -3.665 -3.137 8.550 519 HA GLU 70 HA GLU 70 -4.030 -1.182 10.528 520 1HB GLU 70 1HB GLU 70 -1.541 -2.424 9.373 521 2HB GLU 70 1HB GLU 70 -1.501 -1.283 10.710 522 1HG GLU 70 1HG GLU 70 -2.813 -2.767 12.078 523 2HG GLU 70 1HG GLU 70 -3.032 -3.873 10.724 524 H VAL 71 H VAL 71 -2.393 -1.002 7.367 525 HA VAL 71 HA VAL 71 -1.510 1.657 7.569 526 HB VAL 71 HB VAL 71 -2.318 0.146 5.077 527 1HG1 VAL 71 1HG1 VAL 71 -0.871 1.720 3.884 528 2HG1 VAL 71 2HG1 VAL 71 -0.597 2.606 5.384 529 3HG1 VAL 71 3HG1 VAL 71 -2.210 2.549 4.675 530 1HG2 VAL 71 1HG2 VAL 71 0.377 0.481 6.384 531 2HG2 VAL 71 2HG2 VAL 71 0.061 -0.350 4.860 532 3HG2 VAL 71 3HG2 VAL 71 -0.589 -0.995 6.368 533 H LYS 72 H LYS 72 -4.535 0.284 6.452 534 HA LYS 72 HA LYS 72 -5.769 2.639 5.538 535 1HB LYS 72 1HB LYS 72 -6.422 0.157 5.270 536 2HB LYS 72 1HB LYS 72 -7.205 0.330 6.828 537 1HG LYS 72 1HG LYS 72 -8.761 1.891 5.979 538 2HG LYS 72 1HG LYS 72 -7.845 2.089 4.482 539 1HD LYS 72 1HD LYS 72 -9.166 -0.477 5.374 540 2HD LYS 72 1HD LYS 72 -9.843 0.652 4.198 541 1HE LYS 72 1HE LYS 72 -8.089 0.237 2.650 542 2HE LYS 72 1HE LYS 72 -7.129 -0.614 3.855 543 1HZ LYS 72 1HZ LYS 72 -8.775 -2.376 3.880 544 2HZ LYS 72 2HZ LYS 72 -8.164 -2.150 2.316 545 3HZ LYS 72 3HZ LYS 72 -9.709 -1.564 2.722 546 H HIS 73 H HIS 73 -5.219 1.348 8.705 547 HA HIS 73 HA HIS 73 -6.950 3.363 9.945 548 1HB HIS 73 1HB HIS 73 -5.632 0.868 10.986 549 2HB HIS 73 1HB HIS 73 -6.291 2.082 12.077 550 HD1 HIS 73 HD1 HIS 73 -8.063 0.397 12.941 551 HD2 HIS 73 HD2 HIS 73 -8.318 1.219 8.867 552 HE1 HIS 73 HE1 HIS 73 -10.304 -0.487 12.204 553 HE2 HIS 73 HE2 HIS 73 -10.493 0.138 9.763 554 H LEU 74 H LEU 74 -3.958 3.476 8.788 555 HA LEU 74 HA LEU 74 -2.537 4.381 11.133 556 1HB LEU 74 1HB LEU 74 -1.782 4.311 8.216 557 2HB LEU 74 1HB LEU 74 -0.740 4.983 9.451 558 HG LEU 74 HG LEU 74 -1.664 2.121 9.243 559 1HD1 LEU 74 1HD1 LEU 74 1.017 3.442 8.894 560 2HD1 LEU 74 2HD1 LEU 74 0.059 2.628 7.659 561 3HD1 LEU 74 3HD1 LEU 74 0.765 1.700 8.980 562 1HD2 LEU 74 1HD2 LEU 74 -1.556 2.811 11.580 563 2HD2 LEU 74 2HD2 LEU 74 0.085 3.408 11.331 564 3HD2 LEU 74 3HD2 LEU 74 -0.257 1.687 11.184 565 H SER 75 H SER 75 -1.917 6.435 11.638 566 HA SER 75 HA SER 75 -3.629 8.556 10.739 567 1HB SER 75 1HB SER 75 -1.177 8.813 12.486 568 2HB SER 75 1HB SER 75 -2.584 9.875 12.435 569 HG SER 75 HG SER 75 -3.670 7.661 13.018 570 H ARG 76 H ARG 76 -2.379 10.794 10.306 571 HA ARG 76 HA ARG 76 -1.200 10.512 7.777 572 1HB ARG 76 1HB ARG 76 -0.631 12.879 7.886 573 2HB ARG 76 1HB ARG 76 -2.258 12.613 8.492 574 1HG ARG 76 1HG ARG 76 -1.635 13.036 10.696 575 2HG ARG 76 1HG ARG 76 0.080 12.800 10.353 576 1HD ARG 76 1HD ARG 76 -1.588 15.064 9.260 577 2HD ARG 76 1HD ARG 76 -0.557 15.179 10.684 578 HE ARG 76 HE ARG 76 0.915 14.216 8.444 579 1HH1 ARG 76 1HH1 ARG 76 -0.394 17.137 9.872 580 2HH1 ARG 76 2HH1 ARG 76 0.732 18.191 9.064 581 1HH2 ARG 76 1HH2 ARG 76 2.381 15.578 7.367 582 2HH2 ARG 76 2HH2 ARG 76 2.318 17.300 7.634 583 H ARG 77 H ARG 77 0.268 10.932 10.954 584 HA ARG 77 HA ARG 77 2.899 11.389 10.070 585 1HB ARG 77 1HB ARG 77 3.517 10.842 12.413 586 2HB ARG 77 1HB ARG 77 2.206 12.007 12.303 587 1HG ARG 77 1HG ARG 77 0.599 10.188 12.694 588 2HG ARG 77 1HG ARG 77 1.947 9.070 12.887 589 1HD ARG 77 1HD ARG 77 2.735 10.296 14.813 590 2HD ARG 77 1HD ARG 77 1.482 11.516 14.587 591 HE ARG 77 HE ARG 77 0.568 8.778 14.965 592 1HH1 ARG 77 1HH1 ARG 77 1.243 11.876 16.473 593 2HH1 ARG 77 2HH1 ARG 77 0.125 11.607 17.777 594 1HH2 ARG 77 1HH2 ARG 77 -0.850 8.426 16.679 595 2HH2 ARG 77 2HH2 ARG 77 -1.027 9.623 17.926 596 H LYS 78 H LYS 78 1.045 8.492 10.464 597 HA LYS 78 HA LYS 78 3.381 6.775 10.497 598 1HB LYS 78 1HB LYS 78 0.752 6.518 11.407 599 2HB LYS 78 1HB LYS 78 0.860 5.425 10.034 600 1HG LYS 78 1HG LYS 78 2.739 5.425 12.384 601 2HG LYS 78 1HG LYS 78 1.377 4.326 12.166 602 1HD LYS 78 1HD LYS 78 2.388 3.501 10.095 603 2HD LYS 78 1HD LYS 78 3.758 4.585 10.334 604 1HE LYS 78 1HE LYS 78 2.929 2.279 12.089 605 2HE LYS 78 1HE LYS 78 4.367 2.382 11.074 606 1HZ LYS 78 1HZ LYS 78 3.775 3.880 13.556 607 2HZ LYS 78 2HZ LYS 78 4.984 4.374 12.478 608 3HZ LYS 78 3HZ LYS 78 5.094 2.859 13.228 609 H LYS 79 H LYS 79 0.741 7.650 8.316 610 HA LYS 79 HA LYS 79 1.536 5.997 6.164 611 1HB LYS 79 1HB LYS 79 -0.020 8.592 6.212 612 2HB LYS 79 1HB LYS 79 0.209 7.616 4.767 613 1HG LYS 79 1HG LYS 79 -0.960 5.762 5.793 614 2HG LYS 79 1HG LYS 79 -1.138 6.678 7.292 615 1HD LYS 79 1HD LYS 79 -2.544 8.292 6.192 616 2HD LYS 79 1HD LYS 79 -2.250 7.539 4.626 617 1HE LYS 79 1HE LYS 79 -3.408 5.537 5.332 618 2HE LYS 79 1HE LYS 79 -3.619 6.195 6.953 619 1HZ LYS 79 1HZ LYS 79 -4.719 7.495 4.523 620 2HZ LYS 79 2HZ LYS 79 -5.101 7.829 6.142 621 3HZ LYS 79 3HZ LYS 79 -5.594 6.370 5.443 622 H GLU 80 H GLU 80 2.275 9.347 7.038 623 HA GLU 80 HA GLU 80 4.026 9.895 4.902 624 1HB GLU 80 1HB GLU 80 3.817 11.038 7.693 625 2HB GLU 80 1HB GLU 80 4.928 11.668 6.478 626 1HG GLU 80 1HG GLU 80 3.101 12.267 5.042 627 2HG GLU 80 1HG GLU 80 1.946 11.490 6.122 628 H GLN 81 H GLN 81 4.508 8.373 8.030 629 HA GLN 81 HA GLN 81 7.316 8.216 7.984 630 1HB GLN 81 1HB GLN 81 5.926 7.717 9.979 631 2HB GLN 81 1HB GLN 81 5.365 6.248 9.194 632 1HG GLN 81 1HG GLN 81 7.797 5.552 9.078 633 2HG GLN 81 1HG GLN 81 8.127 6.895 10.172 634 1HE2 GLN 81 1HE2 GLN 81 8.506 4.072 10.599 635 2HE2 GLN 81 2HE2 GLN 81 7.547 3.644 11.980 636 H LEU 82 H LEU 82 4.829 5.929 6.942 637 HA LEU 82 HA LEU 82 6.498 3.914 5.984 638 1HB LEU 82 1HB LEU 82 3.680 4.744 5.444 639 2HB LEU 82 1HB LEU 82 4.415 3.533 4.405 640 HG LEU 82 HG LEU 82 4.078 3.334 7.400 641 1HD1 LEU 82 1HD1 LEU 82 1.982 3.120 6.151 642 2HD1 LEU 82 2HD1 LEU 82 2.467 1.588 6.873 643 3HD1 LEU 82 3HD1 LEU 82 2.709 1.863 5.150 644 1HD2 LEU 82 1HD2 LEU 82 6.102 2.207 6.652 645 2HD2 LEU 82 2HD2 LEU 82 5.186 1.351 5.414 646 3HD2 LEU 82 3HD2 LEU 82 4.875 1.035 7.122 647 H VAL 83 H VAL 83 5.246 6.784 4.365 648 HA VAL 83 HA VAL 83 6.306 6.079 1.804 649 HB VAL 83 HB VAL 83 5.119 8.626 2.884 650 1HG1 VAL 83 1HG1 VAL 83 5.157 9.486 0.580 651 2HG1 VAL 83 2HG1 VAL 83 6.104 8.085 0.080 652 3HG1 VAL 83 3HG1 VAL 83 6.786 9.250 1.213 653 1HG2 VAL 83 1HG2 VAL 83 3.338 8.023 1.259 654 2HG2 VAL 83 2HG2 VAL 83 3.566 6.832 2.542 655 3HG2 VAL 83 3HG2 VAL 83 4.213 6.527 0.931 656 H SER 84 H SER 84 7.279 8.427 4.305 657 HA SER 84 HA SER 84 9.510 9.388 2.825 658 1HB SER 84 1HB SER 84 8.377 10.649 4.671 659 2HB SER 84 1HB SER 84 9.080 9.514 5.823 660 HG SER 84 HG SER 84 11.162 10.186 4.743 661 H LEU 85 H LEU 85 8.953 6.565 4.623 662 HA LEU 85 HA LEU 85 11.632 5.979 5.369 663 1HB LEU 85 1HB LEU 85 9.690 4.888 6.413 664 2HB LEU 85 1HB LEU 85 9.295 4.124 4.886 665 HG LEU 85 HG LEU 85 11.406 2.848 4.985 666 1HD1 LEU 85 1HD1 LEU 85 11.719 4.144 7.689 667 2HD1 LEU 85 2HD1 LEU 85 12.724 4.450 6.271 668 3HD1 LEU 85 3HD1 LEU 85 12.732 2.857 7.032 669 1HD2 LEU 85 1HD2 LEU 85 9.692 2.619 7.456 670 2HD2 LEU 85 2HD2 LEU 85 10.760 1.368 6.821 671 3HD2 LEU 85 3HD2 LEU 85 9.356 1.886 5.889 672 H LYS 86 H LYS 86 9.588 5.059 2.588 673 HA LYS 86 HA LYS 86 11.731 3.547 1.389 674 1HB LYS 86 1HB LYS 86 9.191 3.181 1.065 675 2HB LYS 86 1HB LYS 86 9.293 4.511 -0.085 676 1HG LYS 86 1HG LYS 86 11.167 3.185 -1.194 677 2HG LYS 86 1HG LYS 86 10.614 1.824 -0.220 678 1HD LYS 86 1HD LYS 86 8.347 2.127 -1.211 679 2HD LYS 86 1HD LYS 86 9.030 3.359 -2.277 680 1HE LYS 86 1HE LYS 86 9.768 0.439 -2.145 681 2HE LYS 86 1HE LYS 86 8.947 1.272 -3.463 682 1HZ LYS 86 1HZ LYS 86 11.736 1.814 -2.579 683 2HZ LYS 86 2HZ LYS 86 10.949 2.539 -3.891 684 3HZ LYS 86 3HZ LYS 86 11.300 0.883 -3.926 685 H GLY 87 H GLY 87 12.701 4.072 -0.690 686 1HA GLY 87 2HA GLY 87 13.220 6.935 -0.946 687 2HA GLY 87 1HA GLY 87 14.113 5.641 -1.736 688 H GLY 88 H GLY 88 10.627 5.894 -1.717 689 1HA GLY 88 2HA GLY 88 9.093 6.045 -3.394 690 2HA GLY 88 1HA GLY 88 10.216 7.146 -4.175 691 HA PRO 89 HA PRO 89 10.347 3.382 -6.811 692 1HB PRO 89 1HB PRO 89 8.375 3.764 -8.547 693 2HB PRO 89 1HB PRO 89 8.026 3.118 -6.939 694 1HG PRO 89 1HG PRO 89 7.572 5.857 -8.016 695 2HG PRO 89 1HG PRO 89 6.616 4.938 -6.839 696 1HD PRO 89 1HD PRO 89 8.570 6.923 -6.273 697 2HD PRO 89 1HD PRO 89 7.762 5.854 -5.112 698 H TYR 90 H TYR 90 10.879 3.369 -9.178 699 HA TYR 90 HA TYR 90 12.022 5.908 -10.037 700 1HB TYR 90 1HB TYR 90 13.271 3.748 -10.295 701 2HB TYR 90 1HB TYR 90 12.051 3.231 -11.453 702 HD1 TYR 90 HD1 TYR 90 14.357 6.120 -10.870 703 HD2 TYR 90 HD2 TYR 90 12.516 3.529 -13.698 704 HE1 TYR 90 HE1 TYR 90 15.642 7.186 -12.673 705 HE2 TYR 90 HE2 TYR 90 13.799 4.586 -15.512 706 HH TYR 90 HH TYR 90 16.425 6.703 -14.904 707 H GLU 91 H GLU 91 10.149 3.440 -11.736 708 HA GLU 91 HA GLU 91 8.471 3.517 -13.246 709 1HB GLU 91 1HB GLU 91 7.702 5.153 -11.080 710 2HB GLU 91 1HB GLU 91 7.203 5.994 -12.540 711 1HG GLU 91 1HG GLU 91 6.296 3.391 -11.440 712 2HG GLU 91 1HG GLU 91 5.359 4.712 -12.139 713 H ASN 92 H ASN 92 7.143 5.913 -14.259 714 HA ASN 92 HA ASN 92 7.274 7.423 -15.947 715 1HB ASN 92 1HB ASN 92 10.242 7.451 -15.329 716 2HB ASN 92 1HB ASN 92 9.462 8.507 -16.504 717 1HD2 ASN 92 1HD2 ASN 92 10.074 7.891 -13.176 718 2HD2 ASN 92 2HD2 ASN 92 9.362 9.345 -12.554 719 H THR 93 H THR 93 7.338 4.623 -16.217 720 HA THR 93 HA THR 93 9.178 3.936 -18.338 721 HB THR 93 HB THR 93 7.971 1.725 -18.260 722 HG1 THR 93 HG1 THR 93 6.630 2.994 -16.064 723 1HG2 THR 93 1HG2 THR 93 10.012 2.111 -16.987 724 2HG2 THR 93 2HG2 THR 93 8.905 1.074 -16.085 725 3HG2 THR 93 3HG2 THR 93 9.069 2.776 -15.655 726 H THR 94 H THR 94 7.377 6.048 -18.965 727 HA THR 94 HA THR 94 5.084 5.196 -20.351 728 HB THR 94 HB THR 94 6.633 7.758 -20.767 729 HG1 THR 94 HG1 THR 94 6.002 8.215 -18.802 730 1HG2 THR 94 1HG2 THR 94 4.928 7.335 -22.481 731 2HG2 THR 94 2HG2 THR 94 4.458 8.677 -21.439 732 3HG2 THR 94 3HG2 THR 94 3.716 7.090 -21.224 733 H LYS 95 H LYS 95 5.703 3.521 -21.714 734 HA LYS 95 HA LYS 95 5.992 4.383 -24.383 735 1HB LYS 95 1HB LYS 95 8.021 3.253 -25.045 736 2HB LYS 95 1HB LYS 95 8.401 4.386 -23.761 737 1HG LYS 95 1HG LYS 95 8.707 2.675 -22.189 738 2HG LYS 95 1HG LYS 95 7.900 1.484 -23.210 739 1HD LYS 95 1HD LYS 95 9.748 1.710 -24.851 740 2HD LYS 95 1HD LYS 95 10.572 2.793 -23.728 741 1HE LYS 95 1HE LYS 95 9.782 -0.054 -23.121 742 2HE LYS 95 1HE LYS 95 11.391 0.460 -23.627 743 1HZ LYS 95 1HZ LYS 95 11.133 0.188 -21.198 744 2HZ LYS 95 2HZ LYS 95 10.022 1.462 -21.201 745 3HZ LYS 95 3HZ LYS 95 11.632 1.740 -21.651 746 H LEU 96 H LEU 96 6.348 1.657 -22.181 747 HA LEU 96 HA LEU 96 5.407 -0.388 -22.056 748 1HB LEU 96 1HB LEU 96 3.209 0.911 -23.655 749 2HB LEU 96 1HB LEU 96 3.067 -0.560 -22.711 750 HG LEU 96 HG LEU 96 3.815 2.089 -21.490 751 1HD1 LEU 96 1HD1 LEU 96 1.083 0.849 -21.724 752 2HD1 LEU 96 2HD1 LEU 96 1.643 2.314 -22.534 753 3HD1 LEU 96 3HD1 LEU 96 1.493 2.283 -20.778 754 1HD2 LEU 96 1HD2 LEU 96 3.079 1.012 -19.416 755 2HD2 LEU 96 2HD2 LEU 96 4.420 0.147 -20.169 756 3HD2 LEU 96 3HD2 LEU 96 2.776 -0.481 -20.305 757 H SER 97 H SER 97 7.153 -1.166 -23.443 758 HA SER 97 HA SER 97 6.416 -1.792 -26.186 759 1HB SER 97 1HB SER 97 8.953 -2.548 -24.721 760 2HB SER 97 1HB SER 97 8.692 -2.494 -26.465 761 HG SER 97 HG SER 97 8.532 -0.263 -26.347 762 H THR 98 H THR 98 4.594 -3.099 -25.094 763 HA THR 98 HA THR 98 5.531 -5.711 -24.149 764 HB THR 98 HB THR 98 3.963 -4.486 -22.690 765 HG1 THR 98 HG1 THR 98 2.971 -6.896 -23.862 766 1HG2 THR 98 1HG2 THR 98 2.692 -3.284 -24.372 767 2HG2 THR 98 2HG2 THR 98 1.605 -4.245 -23.368 768 3HG2 THR 98 3HG2 THR 98 2.029 -4.799 -24.987 769 H THR 99 H THR 99 4.371 -4.268 -26.970 770 HA THR 99 HA THR 99 3.796 -6.881 -28.128 771 HB THR 99 HB THR 99 1.841 -4.582 -28.377 772 HG1 THR 99 HG1 THR 99 1.971 -6.793 -26.666 773 1HG2 THR 99 1HG2 THR 99 0.419 -6.185 -29.531 774 2HG2 THR 99 2HG2 THR 99 1.648 -7.436 -29.349 775 3HG2 THR 99 3HG2 THR 99 1.965 -6.027 -30.364 Start of MODEL 4 1 H MET 6 H MET 6 3.500 -17.388 -3.245 2 HA MET 6 HA MET 6 2.998 -16.498 -5.276 3 1HB MET 6 1HB MET 6 0.315 -15.750 -4.092 4 2HB MET 6 1HB MET 6 0.768 -15.576 -5.782 5 1HG MET 6 1HG MET 6 1.034 -17.992 -5.967 6 2HG MET 6 1HG MET 6 0.596 -18.174 -4.268 7 1HE MET 6 1HE MET 6 -2.535 -19.626 -6.080 8 2HE MET 6 2HE MET 6 -1.323 -19.895 -4.828 9 3HE MET 6 3HE MET 6 -0.838 -19.807 -6.521 10 H ASN 7 H ASN 7 1.886 -14.098 -6.002 11 HA ASN 7 HA ASN 7 3.826 -12.365 -4.682 12 1HB ASN 7 1HB ASN 7 3.560 -10.929 -6.725 13 2HB ASN 7 1HB ASN 7 4.188 -12.541 -7.046 14 1HD2 ASN 7 1HD2 ASN 7 2.901 -14.031 -8.138 15 2HD2 ASN 7 2HD2 ASN 7 1.499 -13.551 -9.023 16 H HIS 8 H HIS 8 3.067 -11.148 -3.123 17 HA HIS 8 HA HIS 8 0.421 -9.908 -3.482 18 1HB HIS 8 1HB HIS 8 1.947 -10.290 -0.893 19 2HB HIS 8 1HB HIS 8 0.330 -9.621 -1.057 20 HD1 HIS 8 HD1 HIS 8 -1.609 -11.301 -1.491 21 HD2 HIS 8 HD2 HIS 8 2.118 -13.065 -0.976 22 HE1 HIS 8 HE1 HIS 8 -2.062 -13.737 -1.096 23 HE2 HIS 8 HE2 HIS 8 0.216 -14.816 -1.036 24 H TYR 9 H TYR 9 0.910 -8.080 -4.559 25 HA TYR 9 HA TYR 9 3.140 -6.436 -3.611 26 1HB TYR 9 1HB TYR 9 1.417 -6.195 -6.082 27 2HB TYR 9 1HB TYR 9 2.696 -5.069 -5.649 28 HD1 TYR 9 HD1 TYR 9 5.067 -5.851 -5.646 29 HD2 TYR 9 HD2 TYR 9 1.894 -8.256 -7.128 30 HE1 TYR 9 HE1 TYR 9 6.697 -7.244 -6.853 31 HE2 TYR 9 HE2 TYR 9 3.509 -9.656 -8.333 32 HH TYR 9 HH TYR 9 6.904 -9.425 -7.813 33 H VAL 10 H VAL 10 2.889 -4.547 -2.618 34 HA VAL 10 HA VAL 10 0.152 -3.478 -2.355 35 HB VAL 10 HB VAL 10 2.407 -2.921 -0.419 36 1HG1 VAL 10 1HG1 VAL 10 -0.588 -2.616 -0.241 37 2HG1 VAL 10 2HG1 VAL 10 0.596 -1.320 -0.409 38 3HG1 VAL 10 3HG1 VAL 10 0.547 -2.286 1.065 39 1HG2 VAL 10 1HG2 VAL 10 1.967 -5.349 -0.449 40 2HG2 VAL 10 2HG2 VAL 10 0.264 -5.029 -0.116 41 3HG2 VAL 10 3HG2 VAL 10 1.493 -4.594 1.076 42 H TYR 11 H TYR 11 0.126 -2.030 -4.015 43 HA TYR 11 HA TYR 11 2.315 -0.086 -4.133 44 1HB TYR 11 1HB TYR 11 1.261 0.646 -6.286 45 2HB TYR 11 1HB TYR 11 1.858 -1.003 -6.298 46 HD1 TYR 11 HD1 TYR 11 -1.093 1.129 -6.525 47 HD2 TYR 11 HD2 TYR 11 0.292 -2.893 -6.326 48 HE1 TYR 11 HE1 TYR 11 -3.278 0.344 -7.331 49 HE2 TYR 11 HE2 TYR 11 -1.891 -3.688 -7.129 50 HH TYR 11 HH TYR 11 -4.216 -2.933 -7.218 51 H ILE 12 H ILE 12 2.069 1.882 -3.336 52 HA ILE 12 HA ILE 12 -0.676 2.748 -2.767 53 HB ILE 12 HB ILE 12 0.834 2.495 -0.781 54 1HG1 ILE 12 1HG1 ILE 12 -0.103 5.324 -1.282 55 2HG1 ILE 12 1HG1 ILE 12 -1.148 3.989 -0.803 56 1HG2 ILE 12 1HG2 ILE 12 2.257 4.881 -1.940 57 2HG2 ILE 12 2HG2 ILE 12 2.924 3.252 -1.779 58 3HG2 ILE 12 3HG2 ILE 12 2.521 4.189 -0.338 59 1HD1 ILE 12 1HD1 ILE 12 -0.570 5.390 1.096 60 2HD1 ILE 12 2HD1 ILE 12 1.144 5.095 0.806 61 3HD1 ILE 12 3HD1 ILE 12 0.089 3.766 1.285 62 H LEU 13 H LEU 13 -1.432 4.067 -4.208 63 HA LEU 13 HA LEU 13 0.421 5.669 -5.814 64 1HB LEU 13 1HB LEU 13 -2.469 4.910 -6.260 65 2HB LEU 13 1HB LEU 13 -1.516 5.899 -7.353 66 HG LEU 13 HG LEU 13 -0.768 3.073 -6.621 67 1HD1 LEU 13 1HD1 LEU 13 -2.272 4.049 -9.043 68 2HD1 LEU 13 2HD1 LEU 13 -2.935 3.066 -7.736 69 3HD1 LEU 13 3HD1 LEU 13 -1.676 2.408 -8.780 70 1HD2 LEU 13 1HD2 LEU 13 1.067 4.442 -7.426 71 2HD2 LEU 13 2HD2 LEU 13 0.119 4.918 -8.833 72 3HD2 LEU 13 3HD2 LEU 13 0.622 3.240 -8.634 73 H GLU 14 H GLU 14 0.397 7.838 -5.814 74 HA GLU 14 HA GLU 14 -1.345 9.129 -3.859 75 1HB GLU 14 1HB GLU 14 1.123 9.519 -3.805 76 2HB GLU 14 1HB GLU 14 0.992 10.305 -5.374 77 1HG GLU 14 1HG GLU 14 -0.429 12.016 -4.440 78 2HG GLU 14 1HG GLU 14 -0.432 11.202 -2.877 79 H CYS 15 H CYS 15 -2.944 10.472 -4.389 80 HA CYS 15 HA CYS 15 -3.556 10.906 -7.191 81 1HB CYS 15 1HB CYS 15 -5.298 10.314 -5.464 82 2HB CYS 15 1HB CYS 15 -5.028 11.890 -4.726 83 HG CYS 15 HG CYS 15 -6.924 12.978 -6.068 84 H LYS 16 H LYS 16 -4.413 13.270 -7.654 85 HA LYS 16 HA LYS 16 -2.433 15.229 -7.270 86 1HB LYS 16 1HB LYS 16 -4.032 15.511 -9.046 87 2HB LYS 16 1HB LYS 16 -5.380 15.426 -7.922 88 1HG LYS 16 1HG LYS 16 -4.555 17.549 -6.896 89 2HG LYS 16 1HG LYS 16 -3.381 17.653 -8.206 90 1HD LYS 16 1HD LYS 16 -5.101 17.843 -9.841 91 2HD LYS 16 1HD LYS 16 -6.351 17.426 -8.667 92 1HE LYS 16 1HE LYS 16 -6.393 19.803 -9.069 93 2HE LYS 16 1HE LYS 16 -5.829 19.497 -7.428 94 1HZ LYS 16 1HZ LYS 16 -3.507 19.651 -8.487 95 2HZ LYS 16 2HZ LYS 16 -4.366 21.083 -8.206 96 3HZ LYS 16 3HZ LYS 16 -4.300 20.430 -9.769 97 H ASP 17 H ASP 17 -5.148 14.165 -5.434 98 HA ASP 17 HA ASP 17 -5.041 16.306 -3.494 99 1HB ASP 17 1HB ASP 17 -6.602 13.719 -3.335 100 2HB ASP 17 1HB ASP 17 -6.916 15.214 -2.460 101 H GLY 18 H GLY 18 -4.917 15.674 -1.147 102 1HA GLY 18 2HA GLY 18 -2.457 14.230 -0.716 103 2HA GLY 18 1HA GLY 18 -3.418 15.050 0.505 104 H SER 19 H SER 19 -4.507 12.552 -1.710 105 HA SER 19 HA SER 19 -4.949 10.779 0.595 106 1HB SER 19 1HB SER 19 -6.897 9.888 -0.786 107 2HB SER 19 1HB SER 19 -7.099 11.509 -0.125 108 HG SER 19 HG SER 19 -6.160 10.986 -2.750 109 H TRP 20 H TRP 20 -4.016 8.841 0.477 110 HA TRP 20 HA TRP 20 -2.739 8.095 -2.041 111 1HB TRP 20 1HB TRP 20 -2.245 7.351 0.818 112 2HB TRP 20 1HB TRP 20 -1.680 6.298 -0.471 113 HD1 TRP 20 HD TRP 20 -0.332 7.983 -2.495 114 HE1 TRP 20 HE1 TRP 20 1.659 9.529 -1.973 115 HE3 TRP 20 HE3 TRP 20 -1.045 8.569 2.531 116 HZ2 TRP 20 HZ2 TRP 20 2.786 10.803 0.257 117 HZ3 TRP 20 HZ3 TRP 20 0.547 9.968 3.783 118 HH2 TRP 20 HH TRP 20 2.424 11.055 2.663 119 H TYR 21 H TYR 21 -3.030 6.144 -3.024 120 HA TYR 21 HA TYR 21 -5.445 4.661 -2.218 121 1HB TYR 21 1HB TYR 21 -5.591 5.755 -4.415 122 2HB TYR 21 1HB TYR 21 -4.123 4.937 -4.932 123 HD1 TYR 21 HD1 TYR 21 -7.540 4.131 -3.635 124 HD2 TYR 21 HD2 TYR 21 -4.323 3.020 -6.186 125 HE1 TYR 21 HE1 TYR 21 -8.896 2.282 -4.528 126 HE2 TYR 21 HE2 TYR 21 -5.663 1.167 -7.083 127 HH TYR 21 HH TYR 21 -7.548 -0.204 -6.498 128 H THR 22 H THR 22 -4.784 2.992 -1.013 129 HA THR 22 HA THR 22 -2.313 1.601 -1.633 130 HB THR 22 HB THR 22 -4.273 0.921 0.559 131 HG1 THR 22 HG1 THR 22 -2.489 3.055 0.300 132 1HG2 THR 22 1HG2 THR 22 -1.289 0.517 0.283 133 2HG2 THR 22 2HG2 THR 22 -2.518 -0.734 0.119 134 3HG2 THR 22 3HG2 THR 22 -2.263 0.048 1.677 135 H GLY 23 H GLY 23 -2.432 0.188 -3.255 136 1HA GLY 23 2HA GLY 23 -4.877 -1.425 -3.557 137 2HA GLY 23 1HA GLY 23 -3.689 -1.120 -4.818 138 H TYR 24 H TYR 24 -4.829 -3.365 -2.723 139 HA TYR 24 HA TYR 24 -2.303 -4.797 -2.400 140 1HB TYR 24 1HB TYR 24 -3.784 -4.642 -0.457 141 2HB TYR 24 1HB TYR 24 -5.096 -5.365 -1.378 142 HD1 TYR 24 HD1 TYR 24 -5.545 -7.569 -0.937 143 HD2 TYR 24 HD2 TYR 24 -1.547 -6.183 -0.495 144 HE1 TYR 24 HE1 TYR 24 -4.863 -9.799 -0.162 145 HE2 TYR 24 HE2 TYR 24 -0.859 -8.410 0.279 146 HH TYR 24 HH TYR 24 -1.967 -10.391 1.385 147 H THR 25 H THR 25 -1.707 -5.967 -4.139 148 HA THR 25 HA THR 25 -3.846 -7.316 -5.649 149 HB THR 25 HB THR 25 -2.911 -5.473 -6.953 150 HG1 THR 25 HG1 THR 25 -3.184 -7.927 -7.790 151 1HG2 THR 25 1HG2 THR 25 -0.276 -6.911 -6.670 152 2HG2 THR 25 2HG2 THR 25 -0.691 -5.341 -5.983 153 3HG2 THR 25 3HG2 THR 25 -0.582 -5.538 -7.731 154 H THR 26 H THR 26 -3.694 -9.397 -5.985 155 HA THR 26 HA THR 26 -1.108 -10.770 -5.683 156 HB THR 26 HB THR 26 -3.767 -11.979 -4.884 157 HG1 THR 26 HG1 THR 26 -3.249 -10.234 -3.471 158 1HG2 THR 26 1HG2 THR 26 -0.922 -12.801 -4.277 159 2HG2 THR 26 2HG2 THR 26 -1.970 -13.551 -5.483 160 3HG2 THR 26 3HG2 THR 26 -2.382 -13.652 -3.769 161 H ASP 27 H ASP 27 -1.051 -10.440 -8.019 162 HA ASP 27 HA ASP 27 -3.012 -12.037 -9.498 163 1HB ASP 27 1HB ASP 27 -2.431 -9.112 -9.970 164 2HB ASP 27 1HB ASP 27 -3.242 -10.141 -11.145 165 H VAL 28 H VAL 28 -1.530 -13.511 -10.206 166 HA VAL 28 HA VAL 28 0.911 -12.924 -11.487 167 HB VAL 28 HB VAL 28 -0.978 -15.213 -12.101 168 1HG1 VAL 28 1HG1 VAL 28 1.989 -14.920 -12.555 169 2HG1 VAL 28 2HG1 VAL 28 0.735 -14.913 -13.796 170 3HG1 VAL 28 3HG1 VAL 28 1.040 -16.376 -12.856 171 1HG2 VAL 28 1HG2 VAL 28 1.274 -15.065 -10.099 172 2HG2 VAL 28 2HG2 VAL 28 0.331 -16.504 -10.491 173 3HG2 VAL 28 3HG2 VAL 28 -0.448 -15.119 -9.722 174 H ASP 29 H ASP 29 -2.387 -13.281 -12.656 175 HA ASP 29 HA ASP 29 -2.095 -13.023 -15.373 176 1HB ASP 29 1HB ASP 29 -4.235 -13.524 -14.404 177 2HB ASP 29 1HB ASP 29 -4.272 -11.984 -13.553 178 H ARG 30 H ARG 30 -2.381 -10.399 -13.002 179 HA ARG 30 HA ARG 30 -2.569 -8.258 -14.751 180 1HB ARG 30 1HB ARG 30 -2.964 -7.992 -12.379 181 2HB ARG 30 1HB ARG 30 -1.288 -8.378 -12.019 182 1HG ARG 30 1HG ARG 30 -0.544 -6.344 -13.079 183 2HG ARG 30 1HG ARG 30 -2.194 -5.972 -13.587 184 1HD ARG 30 1HD ARG 30 -2.892 -5.733 -11.292 185 2HD ARG 30 1HD ARG 30 -1.308 -6.254 -10.720 186 HE ARG 30 HE ARG 30 -0.593 -4.142 -12.101 187 1HH1 ARG 30 1HH1 ARG 30 -3.394 -4.496 -10.033 188 2HH1 ARG 30 2HH1 ARG 30 -3.392 -2.831 -9.532 189 1HH2 ARG 30 1HH2 ARG 30 -0.587 -1.944 -11.454 190 2HH2 ARG 30 2HH2 ARG 30 -1.793 -1.376 -10.348 191 H ARG 31 H ARG 31 0.378 -9.683 -13.355 192 HA ARG 31 HA ARG 31 2.132 -7.753 -14.419 193 1HB ARG 31 1HB ARG 31 2.769 -10.608 -13.657 194 2HB ARG 31 1HB ARG 31 3.928 -9.300 -13.842 195 1HG ARG 31 1HG ARG 31 2.829 -8.114 -11.969 196 2HG ARG 31 1HG ARG 31 1.765 -9.506 -11.756 197 1HD ARG 31 1HD ARG 31 4.766 -9.442 -11.459 198 2HD ARG 31 1HD ARG 31 3.575 -9.653 -10.176 199 HE ARG 31 HE ARG 31 3.305 -11.663 -12.170 200 1HH1 ARG 31 1HH1 ARG 31 5.294 -10.715 -9.444 201 2HH1 ARG 31 2HH1 ARG 31 5.816 -12.342 -9.102 202 1HH2 ARG 31 1HH2 ARG 31 3.973 -13.784 -11.723 203 2HH2 ARG 31 2HH2 ARG 31 5.043 -14.096 -10.385 204 H ILE 32 H ILE 32 1.519 -11.103 -15.483 205 HA ILE 32 HA ILE 32 3.174 -10.967 -17.742 206 HB ILE 32 HB ILE 32 2.521 -13.103 -16.818 207 1HG1 ILE 32 1HG1 ILE 32 1.426 -12.792 -19.620 208 2HG1 ILE 32 1HG1 ILE 32 3.128 -12.972 -19.211 209 1HG2 ILE 32 1HG2 ILE 32 0.284 -12.609 -16.062 210 2HG2 ILE 32 2HG2 ILE 32 0.252 -14.010 -17.131 211 3HG2 ILE 32 3HG2 ILE 32 -0.271 -12.434 -17.727 212 1HD1 ILE 32 1HD1 ILE 32 0.973 -15.004 -18.687 213 2HD1 ILE 32 2HD1 ILE 32 2.684 -15.183 -18.298 214 3HD1 ILE 32 3HD1 ILE 32 2.171 -15.066 -19.981 215 H LYS 33 H LYS 33 -0.281 -10.308 -17.350 216 HA LYS 33 HA LYS 33 -0.908 -9.960 -20.067 217 1HB LYS 33 1HB LYS 33 -2.608 -10.200 -18.324 218 2HB LYS 33 1HB LYS 33 -2.146 -8.646 -17.645 219 1HG LYS 33 1HG LYS 33 -2.986 -7.475 -19.525 220 2HG LYS 33 1HG LYS 33 -3.187 -8.968 -20.447 221 1HD LYS 33 1HD LYS 33 -4.680 -8.263 -17.922 222 2HD LYS 33 1HD LYS 33 -5.325 -8.132 -19.560 223 1HE LYS 33 1HE LYS 33 -5.102 -10.515 -19.879 224 2HE LYS 33 1HE LYS 33 -4.322 -10.684 -18.307 225 1HZ LYS 33 1HZ LYS 33 -6.643 -11.332 -18.232 226 2HZ LYS 33 2HZ LYS 33 -7.127 -9.796 -18.762 227 3HZ LYS 33 3HZ LYS 33 -6.371 -9.979 -17.254 228 H LYS 34 H LYS 34 0.287 -7.663 -17.640 229 HA LYS 34 HA LYS 34 0.107 -5.345 -19.216 230 1HB LYS 34 1HB LYS 34 1.996 -6.065 -16.971 231 2HB LYS 34 1HB LYS 34 1.953 -4.474 -17.719 232 1HG LYS 34 1HG LYS 34 -0.365 -5.799 -16.328 233 2HG LYS 34 1HG LYS 34 0.686 -4.573 -15.620 234 1HD LYS 34 1HD LYS 34 -1.028 -4.198 -18.074 235 2HD LYS 34 1HD LYS 34 -1.435 -3.635 -16.452 236 1HE LYS 34 1HE LYS 34 0.589 -2.237 -16.450 237 2HE LYS 34 1HE LYS 34 0.957 -2.785 -18.086 238 1HZ LYS 34 1HZ LYS 34 -1.452 -1.246 -17.263 239 2HZ LYS 34 2HZ LYS 34 -1.127 -1.797 -18.829 240 3HZ LYS 34 3HZ LYS 34 -0.125 -0.639 -18.120 241 H HIS 35 H HIS 35 2.575 -7.848 -19.042 242 HA HIS 35 HA HIS 35 4.404 -6.443 -20.755 243 1HB HIS 35 1HB HIS 35 5.121 -8.179 -19.108 244 2HB HIS 35 1HB HIS 35 4.325 -9.397 -20.098 245 HD1 HIS 35 HD1 HIS 35 5.803 -10.542 -21.710 246 HD2 HIS 35 HD2 HIS 35 7.247 -6.782 -20.665 247 HE1 HIS 35 HE1 HIS 35 8.038 -10.329 -22.844 248 HE2 HIS 35 HE2 HIS 35 8.984 -8.140 -22.020 249 H ALA 36 H ALA 36 2.070 -9.076 -21.184 250 HA ALA 36 HA ALA 36 2.552 -9.579 -23.904 251 1HB ALA 36 1HB ALA 36 0.394 -10.695 -23.916 252 2HB ALA 36 2HB ALA 36 -0.023 -9.935 -22.378 253 3HB ALA 36 3HB ALA 36 1.300 -11.100 -22.458 254 H SER 37 H SER 37 -0.119 -7.691 -22.471 255 HA SER 37 HA SER 37 -1.001 -6.754 -25.026 256 1HB SER 37 1HB SER 37 -1.743 -5.811 -22.248 257 2HB SER 37 1HB SER 37 -2.622 -5.442 -23.732 258 HG SER 37 HG SER 37 -3.602 -7.171 -22.652 259 H GLY 38 H GLY 38 1.175 -5.576 -22.591 260 1HA GLY 38 2HA GLY 38 0.926 -2.813 -23.283 261 2HA GLY 38 1HA GLY 38 2.119 -3.512 -22.207 262 H LYS 39 H LYS 39 2.611 -5.374 -24.738 263 HA LYS 39 HA LYS 39 4.928 -3.976 -25.589 264 1HB LYS 39 1HB LYS 39 4.702 -6.460 -25.617 265 2HB LYS 39 1HB LYS 39 3.568 -6.308 -26.952 266 1HG LYS 39 1HG LYS 39 5.282 -5.357 -28.357 267 2HG LYS 39 1HG LYS 39 6.430 -5.372 -27.016 268 1HD LYS 39 1HD LYS 39 6.211 -7.842 -26.922 269 2HD LYS 39 1HD LYS 39 5.168 -7.769 -28.346 270 1HE LYS 39 1HE LYS 39 6.978 -6.769 -29.637 271 2HE LYS 39 1HE LYS 39 8.022 -6.801 -28.216 272 1HZ LYS 39 1HZ LYS 39 7.863 -9.221 -28.207 273 2HZ LYS 39 2HZ LYS 39 8.491 -8.652 -29.678 274 3HZ LYS 39 3HZ LYS 39 6.880 -9.174 -29.592 275 H GLY 40 H GLY 40 4.893 -2.221 -26.785 276 1HA GLY 40 2HA GLY 40 4.463 -1.487 -29.150 277 2HA GLY 40 1HA GLY 40 2.790 -1.929 -28.835 278 H ALA 41 H ALA 41 2.237 -0.977 -26.443 279 HA ALA 41 HA ALA 41 1.708 0.817 -25.175 280 1HB ALA 41 1HB ALA 41 4.175 2.108 -26.337 281 2HB ALA 41 2HB ALA 41 4.144 1.050 -24.927 282 3HB ALA 41 3HB ALA 41 3.313 2.603 -24.880 283 H LYS 42 H LYS 42 0.121 2.236 -25.434 284 HA LYS 42 HA LYS 42 -0.410 3.373 -28.039 285 1HB LYS 42 1HB LYS 42 -1.849 3.625 -25.393 286 2HB LYS 42 1HB LYS 42 -2.385 4.415 -26.869 287 1HG LYS 42 1HG LYS 42 -2.573 2.182 -27.932 288 2HG LYS 42 1HG LYS 42 -2.184 1.455 -26.370 289 1HD LYS 42 1HD LYS 42 -4.149 2.489 -25.375 290 2HD LYS 42 1HD LYS 42 -4.522 3.289 -26.904 291 1HE LYS 42 1HE LYS 42 -4.434 0.307 -26.462 292 2HE LYS 42 1HE LYS 42 -5.896 1.287 -26.551 293 1HZ LYS 42 1HZ LYS 42 -3.930 1.143 -28.759 294 2HZ LYS 42 2HZ LYS 42 -5.507 1.755 -28.817 295 3HZ LYS 42 3HZ LYS 42 -5.246 0.092 -28.635 296 H TYR 43 H TYR 43 1.372 4.222 -25.344 297 HA TYR 43 HA TYR 43 2.621 6.015 -24.784 298 1HB TYR 43 1HB TYR 43 3.121 6.252 -27.170 299 2HB TYR 43 1HB TYR 43 1.647 7.187 -27.395 300 HD1 TYR 43 HD1 TYR 43 1.747 9.502 -27.289 301 HD2 TYR 43 HD2 TYR 43 4.826 7.219 -25.443 302 HE1 TYR 43 HE1 TYR 43 2.981 11.571 -26.800 303 HE2 TYR 43 HE2 TYR 43 6.067 9.281 -24.949 304 HH TYR 43 HH TYR 43 6.242 11.525 -25.586 305 H THR 44 H THR 44 -0.046 7.655 -26.442 306 HA THR 44 HA THR 44 -1.408 9.345 -25.848 307 HB THR 44 HB THR 44 -2.439 7.319 -24.685 308 HG1 THR 44 HG1 THR 44 -3.866 8.905 -24.838 309 1HG2 THR 44 1HG2 THR 44 -0.948 7.136 -22.758 310 2HG2 THR 44 2HG2 THR 44 -2.603 7.443 -22.230 311 3HG2 THR 44 3HG2 THR 44 -1.417 8.751 -22.224 312 H ARG 45 H ARG 45 -2.040 10.679 -23.538 313 HA ARG 45 HA ARG 45 0.546 11.823 -22.711 314 1HB ARG 45 1HB ARG 45 -0.705 13.236 -24.374 315 2HB ARG 45 1HB ARG 45 -2.006 13.371 -23.200 316 1HG ARG 45 1HG ARG 45 -0.692 15.348 -23.074 317 2HG ARG 45 1HG ARG 45 -0.384 14.401 -21.616 318 1HD ARG 45 1HD ARG 45 1.667 13.511 -22.674 319 2HD ARG 45 1HD ARG 45 1.370 14.552 -24.067 320 HE ARG 45 HE ARG 45 1.821 15.620 -21.347 321 1HH1 ARG 45 1HH1 ARG 45 2.381 15.660 -24.810 322 2HH1 ARG 45 2HH1 ARG 45 3.471 17.011 -24.749 323 1HH2 ARG 45 1HH2 ARG 45 3.265 17.390 -21.258 324 2HH2 ARG 45 2HH2 ARG 45 3.988 17.995 -22.718 325 H GLY 46 H GLY 46 0.823 11.937 -20.554 326 1HA GLY 46 2HA GLY 46 -0.893 12.793 -18.647 327 2HA GLY 46 1HA GLY 46 -1.320 11.098 -18.819 328 H ARG 47 H ARG 47 0.025 9.528 -18.014 329 HA ARG 47 HA ARG 47 1.461 8.588 -16.524 330 1HB ARG 47 1HB ARG 47 3.191 10.975 -17.193 331 2HB ARG 47 1HB ARG 47 3.720 9.595 -16.241 332 1HG ARG 47 1HG ARG 47 3.332 8.133 -18.178 333 2HG ARG 47 1HG ARG 47 2.848 9.542 -19.125 334 1HD ARG 47 1HD ARG 47 5.089 10.529 -18.658 335 2HD ARG 47 1HD ARG 47 5.549 9.004 -17.899 336 HE ARG 47 HE ARG 47 5.394 7.942 -20.037 337 1HH1 ARG 47 1HH1 ARG 47 5.089 11.425 -20.076 338 2HH1 ARG 47 2HH1 ARG 47 5.459 11.586 -21.767 339 1HH2 ARG 47 1HH2 ARG 47 5.944 8.141 -22.277 340 2HH2 ARG 47 2HH2 ARG 47 5.986 9.725 -23.001 341 H GLY 48 H GLY 48 -0.572 10.561 -15.757 342 1HA GLY 48 2HA GLY 48 0.052 10.724 -12.982 343 2HA GLY 48 1HA GLY 48 0.131 12.304 -13.755 344 HA PRO 49 HA PRO 49 -0.621 12.965 -11.852 345 1HB PRO 49 1HB PRO 49 -2.252 13.746 -9.889 346 2HB PRO 49 1HB PRO 49 -2.284 14.546 -11.467 347 1HG PRO 49 1HG PRO 49 -4.160 12.524 -10.323 348 2HG PRO 49 1HG PRO 49 -4.515 13.938 -11.331 349 1HD PRO 49 1HD PRO 49 -4.291 11.300 -12.230 350 2HD PRO 49 1HD PRO 49 -4.234 12.750 -13.248 351 H PHE 50 H PHE 50 -1.817 10.019 -11.746 352 HA PHE 50 HA PHE 50 -1.602 9.376 -8.956 353 1HB PHE 50 1HB PHE 50 -1.866 7.684 -11.436 354 2HB PHE 50 1HB PHE 50 -1.691 6.986 -9.829 355 HD1 PHE 50 HD1 PHE 50 -3.881 8.938 -12.041 356 HD2 PHE 50 HD2 PHE 50 -3.490 7.012 -8.264 357 HE1 PHE 50 HE1 PHE 50 -6.311 9.129 -11.698 358 HE2 PHE 50 HE2 PHE 50 -5.919 7.199 -7.916 359 HZ PHE 50 HZ PHE 50 -7.330 8.256 -9.631 360 H ARG 51 H ARG 51 0.322 9.690 -8.100 361 HA ARG 51 HA ARG 51 2.726 8.832 -9.529 362 1HB ARG 51 1HB ARG 51 2.336 10.450 -7.005 363 2HB ARG 51 1HB ARG 51 3.910 10.002 -7.652 364 1HG ARG 51 1HG ARG 51 3.525 11.291 -9.637 365 2HG ARG 51 1HG ARG 51 1.863 11.622 -9.149 366 1HD ARG 51 1HD ARG 51 4.282 12.472 -7.565 367 2HD ARG 51 1HD ARG 51 3.477 13.497 -8.750 368 HE ARG 51 HE ARG 51 2.274 12.540 -6.231 369 1HH1 ARG 51 1HH1 ARG 51 2.450 14.835 -8.868 370 2HH1 ARG 51 2HH1 ARG 51 1.226 15.876 -8.206 371 1HH2 ARG 51 1HH2 ARG 51 0.686 13.913 -5.346 372 2HH2 ARG 51 2HH2 ARG 51 0.206 15.344 -6.212 373 H LEU 52 H LEU 52 3.611 6.928 -9.118 374 HA LEU 52 HA LEU 52 2.694 5.282 -6.963 375 1HB LEU 52 1HB LEU 52 3.358 4.299 -9.103 376 2HB LEU 52 1HB LEU 52 4.990 4.904 -8.888 377 HG LEU 52 HG LEU 52 5.290 3.429 -6.950 378 1HD1 LEU 52 1HD1 LEU 52 3.001 3.323 -6.159 379 2HD1 LEU 52 2HD1 LEU 52 3.616 1.699 -6.460 380 3HD1 LEU 52 3HD1 LEU 52 2.516 2.453 -7.614 381 1HD2 LEU 52 1HD2 LEU 52 4.309 2.002 -9.420 382 2HD2 LEU 52 2HD2 LEU 52 5.339 1.307 -8.169 383 3HD2 LEU 52 3HD2 LEU 52 5.932 2.638 -9.164 384 H VAL 53 H VAL 53 3.266 5.702 -4.954 385 HA VAL 53 HA VAL 53 5.713 7.091 -4.343 386 HB VAL 53 HB VAL 53 3.731 5.854 -2.424 387 1HG1 VAL 53 1HG1 VAL 53 4.631 7.533 -0.848 388 2HG1 VAL 53 2HG1 VAL 53 5.850 7.959 -2.047 389 3HG1 VAL 53 3HG1 VAL 53 5.828 6.341 -1.351 390 1HG2 VAL 53 1HG2 VAL 53 2.785 8.129 -2.254 391 2HG2 VAL 53 2HG2 VAL 53 2.576 7.416 -3.853 392 3HG2 VAL 53 3HG2 VAL 53 3.824 8.633 -3.587 393 H ALA 54 H ALA 54 4.375 3.987 -3.174 394 HA ALA 54 HA ALA 54 7.055 2.838 -3.375 395 1HB ALA 54 1HB ALA 54 6.881 3.666 -1.080 396 2HB ALA 54 2HB ALA 54 6.940 1.903 -1.126 397 3HB ALA 54 3HB ALA 54 5.405 2.728 -0.854 398 H THR 55 H THR 55 7.107 0.576 -3.470 399 HA THR 55 HA THR 55 4.508 -0.783 -3.632 400 HB THR 55 HB THR 55 6.784 -1.304 -5.551 401 HG1 THR 55 HG1 THR 55 4.916 0.662 -5.569 402 1HG2 THR 55 1HG2 THR 55 5.114 -2.585 -6.782 403 2HG2 THR 55 2HG2 THR 55 3.893 -2.178 -5.575 404 3HG2 THR 55 3HG2 THR 55 5.266 -3.194 -5.133 405 H TRP 56 H TRP 56 4.546 -2.193 -2.013 406 HA TRP 56 HA TRP 56 7.074 -3.481 -1.270 407 1HB TRP 56 1HB TRP 56 4.413 -3.397 0.173 408 2HB TRP 56 1HB TRP 56 5.874 -4.161 0.784 409 HD1 TRP 56 HD TRP 56 7.857 -2.524 1.604 410 HE1 TRP 56 HE1 TRP 56 7.814 -0.080 2.411 411 HE3 TRP 56 HE3 TRP 56 3.269 -1.156 -0.184 412 HZ2 TRP 56 HZ2 TRP 56 6.064 2.135 2.308 413 HZ3 TRP 56 HZ3 TRP 56 2.482 1.141 0.213 414 HH2 TRP 56 HH TRP 56 3.852 2.752 1.435 415 H ALA 57 H ALA 57 7.186 -5.772 -1.038 416 HA ALA 57 HA ALA 57 5.011 -7.267 -2.331 417 1HB ALA 57 1HB ALA 57 7.959 -7.588 -2.895 418 2HB ALA 57 2HB ALA 57 6.740 -6.954 -4.001 419 3HB ALA 57 3HB ALA 57 6.686 -8.645 -3.503 420 H PHE 58 H PHE 58 4.249 -8.649 -0.898 421 HA PHE 58 HA PHE 58 6.127 -9.864 1.019 422 1HB PHE 58 1HB PHE 58 3.136 -9.477 1.297 423 2HB PHE 58 1HB PHE 58 4.190 -10.223 2.495 424 HD1 PHE 58 HD1 PHE 58 2.991 -7.114 1.084 425 HD2 PHE 58 HD2 PHE 58 5.848 -8.863 3.702 426 HE1 PHE 58 HE1 PHE 58 3.422 -4.906 2.081 427 HE2 PHE 58 HE2 PHE 58 6.285 -6.659 4.706 428 HZ PHE 58 HZ PHE 58 5.071 -4.676 3.895 429 HA PRO 59 HA PRO 59 5.071 -13.651 -1.064 430 1HB PRO 59 1HB PRO 59 6.689 -15.286 0.301 431 2HB PRO 59 1HB PRO 59 7.332 -14.080 -0.818 432 1HG PRO 59 1HG PRO 59 7.195 -14.020 2.161 433 2HG PRO 59 1HG PRO 59 8.478 -13.441 1.087 434 1HD PRO 59 1HD PRO 59 6.534 -11.847 2.271 435 2HD PRO 59 1HD PRO 59 7.501 -11.399 0.852 436 H SER 60 H SER 60 4.183 -12.766 2.040 437 HA SER 60 HA SER 60 2.836 -15.337 2.520 438 1HB SER 60 1HB SER 60 3.664 -13.279 4.581 439 2HB SER 60 1HB SER 60 2.953 -14.862 4.900 440 HG SER 60 HG SER 60 5.219 -14.888 5.157 441 H LYS 61 H LYS 61 0.695 -15.317 2.565 442 HA LYS 61 HA LYS 61 -0.831 -13.097 1.820 443 1HB LYS 61 1HB LYS 61 -1.589 -15.367 1.426 444 2HB LYS 61 1HB LYS 61 -1.675 -15.675 3.152 445 1HG LYS 61 1HG LYS 61 -3.436 -13.926 3.314 446 2HG LYS 61 1HG LYS 61 -3.403 -13.801 1.555 447 1HD LYS 61 1HD LYS 61 -4.071 -16.104 1.330 448 2HD LYS 61 1HD LYS 61 -3.960 -16.343 3.074 449 1HE LYS 61 1HE LYS 61 -5.736 -14.624 3.360 450 2HE LYS 61 1HE LYS 61 -5.901 -14.567 1.605 451 1HZ LYS 61 1HZ LYS 61 -7.510 -16.038 2.819 452 2HZ LYS 61 2HZ LYS 61 -6.209 -17.069 3.157 453 3HZ LYS 61 3HZ LYS 61 -6.663 -16.776 1.547 454 H GLU 62 H GLU 62 -0.613 -14.655 5.029 455 HA GLU 62 HA GLU 62 -2.453 -12.850 6.198 456 1HB GLU 62 1HB GLU 62 -1.275 -13.857 8.383 457 2HB GLU 62 1HB GLU 62 -2.514 -14.702 7.473 458 1HG GLU 62 1HG GLU 62 -0.763 -16.233 7.979 459 2HG GLU 62 1HG GLU 62 -0.715 -15.900 6.252 460 H GLU 63 H GLU 63 1.066 -12.861 6.020 461 HA GLU 63 HA GLU 63 1.626 -10.753 7.752 462 1HB GLU 63 1HB GLU 63 2.876 -11.524 5.115 463 2HB GLU 63 1HB GLU 63 3.527 -10.252 6.141 464 1HG GLU 63 1HG GLU 63 3.134 -13.092 7.037 465 2HG GLU 63 1HG GLU 63 4.639 -12.469 6.362 466 H ALA 64 H ALA 64 0.874 -10.623 4.293 467 HA ALA 64 HA ALA 64 0.845 -7.786 4.176 468 1HB ALA 64 1HB ALA 64 -0.308 -9.800 2.251 469 2HB ALA 64 2HB ALA 64 1.337 -9.165 2.223 470 3HB ALA 64 3HB ALA 64 -0.028 -8.093 1.916 471 H MET 65 H MET 65 -1.503 -10.146 5.065 472 HA MET 65 HA MET 65 -3.836 -8.628 4.509 473 1HB MET 65 1HB MET 65 -3.942 -11.041 4.818 474 2HB MET 65 1HB MET 65 -3.384 -10.877 6.477 475 1HG MET 65 1HG MET 65 -5.410 -9.704 7.079 476 2HG MET 65 1HG MET 65 -5.963 -9.757 5.407 477 1HE MET 65 1HE MET 65 -6.644 -11.944 4.138 478 2HE MET 65 2HE MET 65 -6.584 -13.559 4.840 479 3HE MET 65 3HE MET 65 -5.087 -12.688 4.506 480 H ARG 66 H ARG 66 -2.048 -9.207 7.547 481 HA ARG 66 HA ARG 66 -3.607 -7.409 9.094 482 1HB ARG 66 1HB ARG 66 -0.715 -8.139 9.588 483 2HB ARG 66 1HB ARG 66 -1.892 -7.590 10.773 484 1HG ARG 66 1HG ARG 66 -3.178 -9.666 10.393 485 2HG ARG 66 1HG ARG 66 -1.898 -10.221 9.312 486 1HD ARG 66 1HD ARG 66 -1.729 -9.687 12.269 487 2HD ARG 66 1HD ARG 66 -1.496 -11.216 11.428 488 HE ARG 66 HE ARG 66 0.409 -9.013 11.652 489 1HH1 ARG 66 1HH1 ARG 66 -0.351 -12.161 10.286 490 2HH1 ARG 66 2HH1 ARG 66 1.299 -12.494 9.845 491 1HH2 ARG 66 1HH2 ARG 66 2.574 -9.486 11.086 492 2HH2 ARG 66 2HH2 ARG 66 2.946 -10.999 10.298 493 H TRP 67 H TRP 67 -0.673 -7.143 7.242 494 HA TRP 67 HA TRP 67 0.197 -4.591 7.831 495 1HB TRP 67 1HB TRP 67 1.724 -5.679 6.530 496 2HB TRP 67 1HB TRP 67 0.491 -6.547 5.636 497 HD1 TRP 67 HD TRP 67 -0.148 -5.639 3.299 498 HE1 TRP 67 HE1 TRP 67 0.723 -3.721 1.842 499 HE3 TRP 67 HE3 TRP 67 2.693 -3.245 6.752 500 HZ2 TRP 67 HZ2 TRP 67 2.424 -1.511 2.094 501 HZ3 TRP 67 HZ3 TRP 67 3.946 -1.225 6.066 502 HH2 TRP 67 HH TRP 67 3.799 -0.388 3.764 503 H GLU 68 H GLU 68 -1.707 -5.464 4.973 504 HA GLU 68 HA GLU 68 -2.069 -2.868 4.040 505 1HB GLU 68 1HB GLU 68 -2.435 -5.261 2.972 506 2HB GLU 68 1HB GLU 68 -4.099 -4.969 3.432 507 1HG GLU 68 1HG GLU 68 -2.531 -3.020 1.784 508 2HG GLU 68 1HG GLU 68 -3.420 -4.365 1.073 509 H TYR 69 H TYR 69 -4.209 -4.879 6.014 510 HA TYR 69 HA TYR 69 -6.425 -3.199 6.133 511 1HB TYR 69 1HB TYR 69 -6.361 -5.503 7.051 512 2HB TYR 69 1HB TYR 69 -5.332 -4.937 8.362 513 HD1 TYR 69 HD1 TYR 69 -6.251 -3.643 10.198 514 HD2 TYR 69 HD2 TYR 69 -8.734 -4.931 6.989 515 HE1 TYR 69 HE1 TYR 69 -8.245 -3.105 11.532 516 HE2 TYR 69 HE2 TYR 69 -10.732 -4.387 8.311 517 HH TYR 69 HH TYR 69 -11.286 -4.197 10.812 518 H GLU 70 H GLU 70 -3.490 -3.207 8.116 519 HA GLU 70 HA GLU 70 -4.373 -1.048 9.759 520 1HB GLU 70 1HB GLU 70 -1.732 -2.439 9.434 521 2HB GLU 70 1HB GLU 70 -1.912 -1.021 10.461 522 1HG GLU 70 1HG GLU 70 -3.641 -2.184 11.747 523 2HG GLU 70 1HG GLU 70 -3.424 -3.608 10.732 524 H VAL 71 H VAL 71 -2.399 -1.297 6.847 525 HA VAL 71 HA VAL 71 -1.392 1.319 6.814 526 HB VAL 71 HB VAL 71 -2.176 -0.421 4.466 527 1HG1 VAL 71 1HG1 VAL 71 -0.700 0.997 3.134 528 2HG1 VAL 71 2HG1 VAL 71 -0.425 2.037 4.530 529 3HG1 VAL 71 3HG1 VAL 71 -2.033 1.933 3.811 530 1HG2 VAL 71 1HG2 VAL 71 0.202 -0.951 4.359 531 2HG2 VAL 71 2HG2 VAL 71 -0.477 -1.411 5.922 532 3HG2 VAL 71 3HG2 VAL 71 0.498 0.052 5.778 533 H LYS 72 H LYS 72 -4.427 0.006 5.532 534 HA LYS 72 HA LYS 72 -5.533 2.381 4.572 535 1HB LYS 72 1HB LYS 72 -6.739 -0.131 5.689 536 2HB LYS 72 1HB LYS 72 -7.765 1.234 5.269 537 1HG LYS 72 1HG LYS 72 -6.909 1.157 2.975 538 2HG LYS 72 1HG LYS 72 -5.919 -0.242 3.407 539 1HD LYS 72 1HD LYS 72 -7.811 -1.596 3.783 540 2HD LYS 72 1HD LYS 72 -8.902 -0.208 3.796 541 1HE LYS 72 1HE LYS 72 -9.079 -1.507 1.722 542 2HE LYS 72 1HE LYS 72 -8.525 0.140 1.425 543 1HZ LYS 72 1HZ LYS 72 -7.229 -1.387 0.134 544 2HZ LYS 72 2HZ LYS 72 -6.847 -2.314 1.498 545 3HZ LYS 72 3HZ LYS 72 -6.236 -0.743 1.346 546 H HIS 73 H HIS 73 -5.532 1.011 7.827 547 HA HIS 73 HA HIS 73 -7.249 3.100 8.844 548 1HB HIS 73 1HB HIS 73 -5.869 0.749 10.116 549 2HB HIS 73 1HB HIS 73 -6.733 1.947 11.073 550 HD1 HIS 73 HD1 HIS 73 -8.639 0.456 11.828 551 HD2 HIS 73 HD2 HIS 73 -8.157 0.517 7.694 552 HE1 HIS 73 HE1 HIS 73 -10.667 -0.700 10.883 553 HE2 HIS 73 HE2 HIS 73 -10.422 -0.535 8.377 554 H LEU 74 H LEU 74 -3.929 2.835 8.295 555 HA LEU 74 HA LEU 74 -3.034 4.501 10.442 556 1HB LEU 74 1HB LEU 74 -1.790 3.713 7.806 557 2HB LEU 74 1HB LEU 74 -0.998 4.797 8.933 558 HG LEU 74 HG LEU 74 -1.779 1.937 9.507 559 1HD1 LEU 74 1HD1 LEU 74 0.924 3.183 9.028 560 2HD1 LEU 74 2HD1 LEU 74 0.068 2.101 7.929 561 3HD1 LEU 74 3HD1 LEU 74 0.622 1.509 9.495 562 1HD2 LEU 74 1HD2 LEU 74 -1.878 3.280 11.515 563 2HD2 LEU 74 2HD2 LEU 74 -0.285 3.955 11.178 564 3HD2 LEU 74 3HD2 LEU 74 -0.454 2.240 11.562 565 H SER 75 H SER 75 -3.174 6.631 10.610 566 HA SER 75 HA SER 75 -4.582 8.222 8.776 567 1HB SER 75 1HB SER 75 -2.630 9.148 10.896 568 2HB SER 75 1HB SER 75 -3.952 10.082 10.194 569 HG SER 75 HG SER 75 -5.054 7.893 11.087 570 H ARG 76 H ARG 76 -3.612 10.285 7.798 571 HA ARG 76 HA ARG 76 -1.739 9.551 5.847 572 1HB ARG 76 1HB ARG 76 -2.731 12.246 6.750 573 2HB ARG 76 1HB ARG 76 -1.509 12.094 5.497 574 1HG ARG 76 1HG ARG 76 -3.529 12.300 4.348 575 2HG ARG 76 1HG ARG 76 -3.146 10.581 4.287 576 1HD ARG 76 1HD ARG 76 -5.464 10.774 4.783 577 2HD ARG 76 1HD ARG 76 -4.651 10.268 6.266 578 HE ARG 76 HE ARG 76 -4.732 12.985 6.462 579 1HH1 ARG 76 1HH1 ARG 76 -7.144 10.479 5.988 580 2HH1 ARG 76 2HH1 ARG 76 -8.431 11.416 6.676 581 1HH2 ARG 76 1HH2 ARG 76 -6.445 14.213 7.378 582 2HH2 ARG 76 2HH2 ARG 76 -8.045 13.523 7.448 583 H ARG 77 H ARG 77 -1.318 11.015 8.999 584 HA ARG 77 HA ARG 77 1.344 11.824 8.788 585 1HB ARG 77 1HB ARG 77 -0.142 12.290 10.733 586 2HB ARG 77 1HB ARG 77 0.026 10.607 11.222 587 1HG ARG 77 1HG ARG 77 2.466 10.954 11.418 588 2HG ARG 77 1HG ARG 77 2.223 12.659 11.042 589 1HD ARG 77 1HD ARG 77 0.678 12.766 13.019 590 2HD ARG 77 1HD ARG 77 1.215 11.137 13.434 591 HE ARG 77 HE ARG 77 3.531 12.538 13.158 592 1HH1 ARG 77 1HH1 ARG 77 0.677 12.816 15.157 593 2HH1 ARG 77 2HH1 ARG 77 1.456 13.797 16.363 594 1HH2 ARG 77 1HH2 ARG 77 4.564 13.835 14.714 595 2HH2 ARG 77 2HH2 ARG 77 3.673 14.400 16.097 596 H LYS 78 H LYS 78 0.009 8.659 9.712 597 HA LYS 78 HA LYS 78 2.598 7.488 10.044 598 1HB LYS 78 1HB LYS 78 -0.201 6.474 10.120 599 2HB LYS 78 1HB LYS 78 1.092 5.310 9.863 600 1HG LYS 78 1HG LYS 78 0.674 5.349 12.176 601 2HG LYS 78 1HG LYS 78 2.182 6.228 11.936 602 1HD LYS 78 1HD LYS 78 0.818 8.347 11.964 603 2HD LYS 78 1HD LYS 78 -0.553 7.364 12.477 604 1HE LYS 78 1HE LYS 78 2.052 7.787 13.927 605 2HE LYS 78 1HE LYS 78 0.448 8.316 14.429 606 1HZ LYS 78 1HZ LYS 78 1.475 5.537 14.306 607 2HZ LYS 78 2HZ LYS 78 -0.161 5.914 14.547 608 3HZ LYS 78 3HZ LYS 78 0.998 6.402 15.683 609 H LYS 79 H LYS 79 0.312 7.785 7.422 610 HA LYS 79 HA LYS 79 1.580 5.938 5.692 611 1HB LYS 79 1HB LYS 79 -0.195 8.313 5.151 612 2HB LYS 79 1HB LYS 79 0.469 7.327 3.858 613 1HG LYS 79 1HG LYS 79 -0.616 5.339 4.971 614 2HG LYS 79 1HG LYS 79 -1.454 6.492 6.013 615 1HD LYS 79 1HD LYS 79 -2.560 7.494 4.158 616 2HD LYS 79 1HD LYS 79 -1.542 6.636 3.001 617 1HE LYS 79 1HE LYS 79 -3.625 5.530 2.984 618 2HE LYS 79 1HE LYS 79 -2.539 4.497 3.910 619 1HZ LYS 79 1HZ LYS 79 -4.608 6.331 4.999 620 2HZ LYS 79 2HZ LYS 79 -3.494 5.476 5.949 621 3HZ LYS 79 3HZ LYS 79 -4.631 4.638 5.024 622 H GLU 80 H GLU 80 2.109 9.372 6.372 623 HA GLU 80 HA GLU 80 4.141 9.802 4.461 624 1HB GLU 80 1HB GLU 80 3.577 11.093 7.129 625 2HB GLU 80 1HB GLU 80 4.888 11.620 6.088 626 1HG GLU 80 1HG GLU 80 2.019 11.530 5.200 627 2HG GLU 80 1HG GLU 80 2.751 12.943 5.954 628 H GLN 81 H GLN 81 4.167 8.430 7.700 629 HA GLN 81 HA GLN 81 6.968 8.164 7.962 630 1HB GLN 81 1HB GLN 81 5.542 7.917 9.898 631 2HB GLN 81 1HB GLN 81 4.696 6.567 9.156 632 1HG GLN 81 1HG GLN 81 6.758 5.245 9.239 633 2HG GLN 81 1HG GLN 81 7.584 6.600 10.006 634 1HE2 GLN 81 1HE2 GLN 81 7.131 7.104 12.126 635 2HE2 GLN 81 2HE2 GLN 81 6.296 6.018 13.185 636 H LEU 82 H LEU 82 4.460 6.113 6.607 637 HA LEU 82 HA LEU 82 6.082 3.934 5.877 638 1HB LEU 82 1HB LEU 82 3.450 4.996 4.889 639 2HB LEU 82 1HB LEU 82 4.208 3.612 4.119 640 HG LEU 82 HG LEU 82 3.593 3.700 7.066 641 1HD1 LEU 82 1HD1 LEU 82 1.593 2.393 6.567 642 2HD1 LEU 82 2HD1 LEU 82 1.898 2.575 4.839 643 3HD1 LEU 82 3HD1 LEU 82 1.516 3.989 5.823 644 1HD2 LEU 82 1HD2 LEU 82 3.774 1.253 6.841 645 2HD2 LEU 82 2HD2 LEU 82 5.271 2.081 6.405 646 3HD2 LEU 82 3HD2 LEU 82 4.209 1.460 5.143 647 H VAL 83 H VAL 83 5.322 6.966 4.255 648 HA VAL 83 HA VAL 83 6.711 6.387 1.842 649 HB VAL 83 HB VAL 83 6.059 9.058 3.108 650 1HG1 VAL 83 1HG1 VAL 83 7.878 9.284 1.495 651 2HG1 VAL 83 2HG1 VAL 83 6.394 10.008 0.875 652 3HG1 VAL 83 3HG1 VAL 83 6.920 8.431 0.283 653 1HG2 VAL 83 1HG2 VAL 83 4.078 7.771 2.635 654 2HG2 VAL 83 2HG2 VAL 83 4.651 7.432 1.001 655 3HG2 VAL 83 3HG2 VAL 83 4.217 9.081 1.461 656 H SER 84 H SER 84 7.737 7.308 5.006 657 HA SER 84 HA SER 84 10.301 8.314 4.202 658 1HB SER 84 1HB SER 84 9.374 7.363 6.924 659 2HB SER 84 1HB SER 84 10.824 8.316 6.595 660 HG SER 84 HG SER 84 8.140 9.121 6.079 661 H LEU 85 H LEU 85 8.936 5.244 4.411 662 HA LEU 85 HA LEU 85 11.445 3.848 4.848 663 1HB LEU 85 1HB LEU 85 8.750 2.777 3.988 664 2HB LEU 85 1HB LEU 85 10.129 1.815 4.482 665 HG LEU 85 HG LEU 85 8.583 3.707 6.261 666 1HD1 LEU 85 1HD1 LEU 85 7.309 1.707 5.717 667 2HD1 LEU 85 2HD1 LEU 85 7.851 1.657 7.395 668 3HD1 LEU 85 3HD1 LEU 85 8.680 0.694 6.172 669 1HD2 LEU 85 1HD2 LEU 85 10.843 1.821 6.915 670 2HD2 LEU 85 2HD2 LEU 85 9.929 2.786 8.073 671 3HD2 LEU 85 3HD2 LEU 85 10.948 3.581 6.871 672 H LYS 86 H LYS 86 9.716 5.281 2.319 673 HA LYS 86 HA LYS 86 10.713 3.757 0.129 674 1HB LYS 86 1HB LYS 86 8.756 5.126 -0.178 675 2HB LYS 86 1HB LYS 86 9.614 6.565 0.349 676 1HG LYS 86 1HG LYS 86 11.074 6.337 -1.660 677 2HG LYS 86 1HG LYS 86 10.027 5.027 -2.204 678 1HD LYS 86 1HD LYS 86 8.127 6.535 -2.260 679 2HD LYS 86 1HD LYS 86 9.120 7.846 -1.618 680 1HE LYS 86 1HE LYS 86 8.816 8.032 -4.047 681 2HE LYS 86 1HE LYS 86 10.510 7.803 -3.608 682 1HZ LYS 86 1HZ LYS 86 9.863 6.443 -5.508 683 2HZ LYS 86 2HZ LYS 86 8.683 5.664 -4.567 684 3HZ LYS 86 3HZ LYS 86 10.328 5.478 -4.195 685 H GLY 87 H GLY 87 12.487 4.136 -1.166 686 1HA GLY 87 2HA GLY 87 14.684 5.538 0.100 687 2HA GLY 87 1HA GLY 87 14.761 4.592 -1.377 688 H GLY 88 H GLY 88 12.829 7.417 -0.452 689 1HA GLY 88 2HA GLY 88 12.551 9.473 -1.407 690 2HA GLY 88 1HA GLY 88 14.211 9.336 -1.952 691 HA PRO 89 HA PRO 89 11.345 8.998 -5.656 692 1HB PRO 89 1HB PRO 89 11.190 11.553 -6.490 693 2HB PRO 89 1HB PRO 89 10.050 10.880 -5.319 694 1HG PRO 89 1HG PRO 89 12.402 12.660 -4.877 695 2HG PRO 89 1HG PRO 89 10.829 12.655 -4.062 696 1HD PRO 89 1HD PRO 89 13.158 11.541 -3.047 697 2HD PRO 89 1HD PRO 89 11.516 11.119 -2.526 698 H TYR 90 H TYR 90 13.361 7.961 -6.232 699 HA TYR 90 HA TYR 90 14.765 9.317 -8.301 700 1HB TYR 90 1HB TYR 90 15.896 10.028 -6.072 701 2HB TYR 90 1HB TYR 90 16.500 8.375 -6.025 702 HD1 TYR 90 HD1 TYR 90 16.529 11.505 -7.991 703 HD2 TYR 90 HD2 TYR 90 18.350 7.713 -7.363 704 HE1 TYR 90 HE1 TYR 90 18.387 12.162 -9.458 705 HE2 TYR 90 HE2 TYR 90 20.216 8.364 -8.825 706 HH TYR 90 HH TYR 90 20.655 9.921 -10.646 707 H GLU 91 H GLU 91 14.522 7.775 -9.698 708 HA GLU 91 HA GLU 91 14.540 5.791 -10.776 709 1HB GLU 91 1HB GLU 91 16.770 5.392 -9.706 710 2HB GLU 91 1HB GLU 91 15.940 4.600 -8.372 711 1HG GLU 91 1HG GLU 91 16.896 3.070 -10.113 712 2HG GLU 91 1HG GLU 91 15.183 2.841 -9.761 713 H ASN 92 H ASN 92 13.189 3.955 -10.911 714 HA ASN 92 HA ASN 92 11.062 3.160 -10.694 715 1HB ASN 92 1HB ASN 92 11.940 3.163 -7.809 716 2HB ASN 92 1HB ASN 92 10.336 2.617 -8.281 717 1HD2 ASN 92 1HD2 ASN 92 13.716 1.912 -8.282 718 2HD2 ASN 92 2HD2 ASN 92 13.588 0.293 -8.868 719 H THR 93 H THR 93 11.595 6.009 -10.739 720 HA THR 93 HA THR 93 9.478 7.149 -9.088 721 HB THR 93 HB THR 93 11.566 8.376 -9.085 722 HG1 THR 93 HG1 THR 93 9.249 9.476 -10.150 723 1HG2 THR 93 1HG2 THR 93 12.460 7.669 -11.239 724 2HG2 THR 93 2HG2 THR 93 12.449 9.430 -11.122 725 3HG2 THR 93 3HG2 THR 93 11.217 8.603 -12.077 726 H THR 94 H THR 94 9.891 5.849 -12.134 727 HA THR 94 HA THR 94 7.579 7.303 -13.179 728 HB THR 94 HB THR 94 8.090 6.085 -15.326 729 HG1 THR 94 HG1 THR 94 10.593 5.461 -15.063 730 1HG2 THR 94 1HG2 THR 94 10.325 7.789 -14.210 731 2HG2 THR 94 2HG2 THR 94 8.841 8.392 -14.948 732 3HG2 THR 94 3HG2 THR 94 10.004 7.488 -15.918 733 H LYS 95 H LYS 95 8.335 4.088 -14.209 734 HA LYS 95 HA LYS 95 7.243 2.108 -14.101 735 1HB LYS 95 1HB LYS 95 8.043 2.349 -11.737 736 2HB LYS 95 1HB LYS 95 6.466 2.994 -11.318 737 1HG LYS 95 1HG LYS 95 6.717 0.625 -10.727 738 2HG LYS 95 1HG LYS 95 5.407 0.905 -11.876 739 1HD LYS 95 1HD LYS 95 6.699 -1.068 -12.487 740 2HD LYS 95 1HD LYS 95 6.855 0.193 -13.712 741 1HE LYS 95 1HE LYS 95 9.002 -0.895 -13.239 742 2HE LYS 95 1HE LYS 95 9.030 0.816 -12.822 743 1HZ LYS 95 1HZ LYS 95 8.612 -1.380 -10.868 744 2HZ LYS 95 2HZ LYS 95 8.804 0.258 -10.514 745 3HZ LYS 95 3HZ LYS 95 10.098 -0.625 -11.152 746 H LEU 96 H LEU 96 5.675 4.777 -14.639 747 HA LEU 96 HA LEU 96 2.972 4.037 -14.127 748 1HB LEU 96 1HB LEU 96 4.308 6.191 -15.677 749 2HB LEU 96 1HB LEU 96 2.664 5.787 -16.126 750 HG LEU 96 HG LEU 96 2.540 7.615 -14.623 751 1HD1 LEU 96 1HD1 LEU 96 0.871 5.881 -14.257 752 2HD1 LEU 96 2HD1 LEU 96 1.271 6.712 -12.756 753 3HD1 LEU 96 3HD1 LEU 96 1.925 5.105 -13.075 754 1HD2 LEU 96 1HD2 LEU 96 4.754 7.493 -13.652 755 2HD2 LEU 96 2HD2 LEU 96 4.305 6.042 -12.755 756 3HD2 LEU 96 3HD2 LEU 96 3.535 7.584 -12.382 757 H SER 97 H SER 97 3.172 1.848 -14.873 758 HA SER 97 HA SER 97 3.414 1.277 -17.646 759 1HB SER 97 1HB SER 97 2.482 -0.968 -16.959 760 2HB SER 97 1HB SER 97 3.924 -0.470 -16.073 761 HG SER 97 HG SER 97 1.555 0.339 -14.934 762 H THR 98 H THR 98 1.997 2.534 -18.795 763 HA THR 98 HA THR 98 -0.550 3.283 -17.995 764 HB THR 98 HB THR 98 -0.887 3.734 -20.509 765 HG1 THR 98 HG1 THR 98 1.505 3.811 -21.348 766 1HG2 THR 98 1HG2 THR 98 -0.233 5.448 -18.902 767 2HG2 THR 98 2HG2 THR 98 0.646 5.661 -20.418 768 3HG2 THR 98 3HG2 THR 98 1.453 4.941 -19.023 769 H THR 99 H THR 99 -2.553 2.513 -18.266 770 HA THR 99 HA THR 99 -2.836 -0.130 -19.534 771 HB THR 99 HB THR 99 -4.506 0.843 -17.203 772 HG1 THR 99 HG1 THR 99 -2.845 0.439 -15.962 773 1HG2 THR 99 1HG2 THR 99 -5.435 -1.016 -18.513 774 2HG2 THR 99 2HG2 THR 99 -4.968 -1.546 -16.899 775 3HG2 THR 99 3HG2 THR 99 -3.941 -1.927 -18.280 Start of MODEL 5 1 H MET 6 H MET 6 0.647 -17.656 -3.728 2 HA MET 6 HA MET 6 -0.389 -15.661 -5.581 3 1HB MET 6 1HB MET 6 -0.891 -16.189 -2.663 4 2HB MET 6 1HB MET 6 -1.449 -14.721 -3.452 5 1HG MET 6 1HG MET 6 -2.688 -16.124 -5.071 6 2HG MET 6 1HG MET 6 -2.208 -17.546 -4.143 7 1HE MET 6 1HE MET 6 -6.026 -17.141 -3.307 8 2HE MET 6 2HE MET 6 -4.787 -18.176 -4.019 9 3HE MET 6 3HE MET 6 -5.275 -16.691 -4.839 10 H ASN 7 H ASN 7 1.131 -14.280 -6.188 11 HA ASN 7 HA ASN 7 3.037 -13.184 -4.324 12 1HB ASN 7 1HB ASN 7 3.622 -11.710 -6.328 13 2HB ASN 7 1HB ASN 7 3.868 -13.439 -6.530 14 1HD2 ASN 7 1HD2 ASN 7 2.029 -10.674 -7.506 15 2HD2 ASN 7 2HD2 ASN 7 1.222 -11.425 -8.837 16 H HIS 8 H HIS 8 2.760 -11.434 -3.091 17 HA HIS 8 HA HIS 8 0.347 -9.819 -3.578 18 1HB HIS 8 1HB HIS 8 1.814 -10.182 -0.955 19 2HB HIS 8 1HB HIS 8 0.293 -9.338 -1.196 20 HD1 HIS 8 HD1 HIS 8 -1.848 -10.811 -1.488 21 HD2 HIS 8 HD2 HIS 8 1.645 -12.970 -0.816 22 HE1 HIS 8 HE1 HIS 8 -2.588 -13.152 -0.957 23 HE2 HIS 8 HE2 HIS 8 -0.454 -14.479 -0.786 24 H TYR 9 H TYR 9 0.820 -7.951 -4.496 25 HA TYR 9 HA TYR 9 3.233 -6.503 -3.609 26 1HB TYR 9 1HB TYR 9 1.629 -6.044 -6.135 27 2HB TYR 9 1HB TYR 9 3.132 -5.248 -5.690 28 HD1 TYR 9 HD1 TYR 9 1.749 -7.689 -7.701 29 HD2 TYR 9 HD2 TYR 9 5.122 -7.018 -5.197 30 HE1 TYR 9 HE1 TYR 9 2.997 -9.405 -8.935 31 HE2 TYR 9 HE2 TYR 9 6.384 -8.736 -6.426 32 HH TYR 9 HH TYR 9 5.921 -10.723 -7.839 33 H VAL 10 H VAL 10 3.004 -4.454 -2.783 34 HA VAL 10 HA VAL 10 0.272 -3.343 -2.742 35 HB VAL 10 HB VAL 10 2.242 -2.999 -0.482 36 1HG1 VAL 10 1HG1 VAL 10 -0.699 -2.403 -0.763 37 2HG1 VAL 10 2HG1 VAL 10 0.619 -1.241 -0.614 38 3HG1 VAL 10 3HG1 VAL 10 0.205 -2.285 0.748 39 1HG2 VAL 10 1HG2 VAL 10 1.023 -4.620 0.807 40 2HG2 VAL 10 2HG2 VAL 10 1.581 -5.380 -0.691 41 3HG2 VAL 10 3HG2 VAL 10 -0.107 -4.894 -0.526 42 H TYR 11 H TYR 11 0.521 -1.816 -4.287 43 HA TYR 11 HA TYR 11 2.793 0.027 -4.065 44 1HB TYR 11 1HB TYR 11 2.024 0.912 -6.256 45 2HB TYR 11 1HB TYR 11 2.416 -0.798 -6.321 46 HD1 TYR 11 HD1 TYR 11 0.682 -2.456 -6.678 47 HD2 TYR 11 HD2 TYR 11 -0.274 1.685 -6.493 48 HE1 TYR 11 HE1 TYR 11 -1.527 -2.925 -7.645 49 HE2 TYR 11 HE2 TYR 11 -2.487 1.223 -7.457 50 HH TYR 11 HH TYR 11 -3.746 -1.934 -7.722 51 H ILE 12 H ILE 12 2.492 2.237 -3.717 52 HA ILE 12 HA ILE 12 -0.287 3.018 -3.201 53 HB ILE 12 HB ILE 12 1.079 2.785 -1.100 54 1HG1 ILE 12 1HG1 ILE 12 0.015 5.544 -1.695 55 2HG1 ILE 12 1HG1 ILE 12 -0.965 4.155 -1.247 56 1HG2 ILE 12 1HG2 ILE 12 2.620 4.601 -0.518 57 2HG2 ILE 12 2HG2 ILE 12 2.499 5.211 -2.168 58 3HG2 ILE 12 3HG2 ILE 12 3.208 3.624 -1.866 59 1HD1 ILE 12 1HD1 ILE 12 1.138 5.457 0.468 60 2HD1 ILE 12 2HD1 ILE 12 0.152 4.066 0.918 61 3HD1 ILE 12 3HD1 ILE 12 -0.606 5.634 0.646 62 H LEU 13 H LEU 13 -0.959 4.409 -4.614 63 HA LEU 13 HA LEU 13 1.016 6.014 -6.091 64 1HB LEU 13 1HB LEU 13 -1.771 5.122 -6.840 65 2HB LEU 13 1HB LEU 13 -0.770 6.172 -7.824 66 HG LEU 13 HG LEU 13 0.020 3.365 -7.052 67 1HD1 LEU 13 1HD1 LEU 13 -0.619 2.694 -9.284 68 2HD1 LEU 13 2HD1 LEU 13 -1.172 4.329 -9.647 69 3HD1 LEU 13 3HD1 LEU 13 -2.015 3.362 -8.436 70 1HD2 LEU 13 1HD2 LEU 13 1.099 5.276 -9.119 71 2HD2 LEU 13 2HD2 LEU 13 1.645 3.616 -8.863 72 3HD2 LEU 13 3HD2 LEU 13 1.887 4.830 -7.605 73 H GLU 14 H GLU 14 0.895 8.190 -6.100 74 HA GLU 14 HA GLU 14 -1.096 9.420 -4.382 75 1HB GLU 14 1HB GLU 14 1.296 10.098 -4.266 76 2HB GLU 14 1HB GLU 14 1.172 10.703 -5.914 77 1HG GLU 14 1HG GLU 14 -0.443 12.349 -5.244 78 2HG GLU 14 1HG GLU 14 -0.479 11.695 -3.605 79 H CYS 15 H CYS 15 -2.866 10.397 -5.096 80 HA CYS 15 HA CYS 15 -3.471 10.288 -7.906 81 1HB CYS 15 1HB CYS 15 -5.126 11.447 -5.655 82 2HB CYS 15 1HB CYS 15 -5.699 10.947 -7.242 83 HG CYS 15 HG CYS 15 -4.805 9.021 -4.596 84 H LYS 16 H LYS 16 -4.740 12.297 -8.773 85 HA LYS 16 HA LYS 16 -3.055 14.539 -8.937 86 1HB LYS 16 1HB LYS 16 -4.761 13.949 -10.630 87 2HB LYS 16 1HB LYS 16 -6.027 14.383 -9.490 88 1HG LYS 16 1HG LYS 16 -5.323 16.676 -9.503 89 2HG LYS 16 1HG LYS 16 -3.926 16.280 -10.502 90 1HD LYS 16 1HD LYS 16 -5.401 15.636 -12.329 91 2HD LYS 16 1HD LYS 16 -6.812 15.972 -11.322 92 1HE LYS 16 1HE LYS 16 -6.313 17.812 -12.878 93 2HE LYS 16 1HE LYS 16 -6.200 18.309 -11.191 94 1HZ LYS 16 1HZ LYS 16 -3.759 17.978 -11.365 95 2HZ LYS 16 2HZ LYS 16 -4.354 19.209 -12.365 96 3HZ LYS 16 3HZ LYS 16 -3.945 17.703 -13.032 97 H ASP 17 H ASP 17 -5.542 13.625 -6.718 98 HA ASP 17 HA ASP 17 -5.327 16.198 -5.319 99 1HB ASP 17 1HB ASP 17 -7.284 15.492 -4.035 100 2HB ASP 17 1HB ASP 17 -7.620 15.398 -5.760 101 H GLY 18 H GLY 18 -5.485 15.811 -2.807 102 1HA GLY 18 2HA GLY 18 -2.995 14.520 -2.188 103 2HA GLY 18 1HA GLY 18 -4.002 15.431 -1.078 104 H SER 19 H SER 19 -4.742 12.504 -2.967 105 HA SER 19 HA SER 19 -4.977 11.078 -0.403 106 1HB SER 19 1HB SER 19 -6.705 9.642 -1.485 107 2HB SER 19 1HB SER 19 -7.196 11.332 -1.360 108 HG SER 19 HG SER 19 -6.994 11.582 -3.485 109 H TRP 20 H TRP 20 -3.858 9.216 -0.206 110 HA TRP 20 HA TRP 20 -2.285 8.369 -2.516 111 1HB TRP 20 1HB TRP 20 -1.999 7.792 0.436 112 2HB TRP 20 1HB TRP 20 -1.020 7.008 -0.800 113 HD1 TRP 20 HD TRP 20 -0.590 9.673 -2.598 114 HE1 TRP 20 HE1 TRP 20 1.074 11.457 -1.774 115 HE3 TRP 20 HE3 TRP 20 -0.462 8.410 2.358 116 HZ2 TRP 20 HZ2 TRP 20 2.288 12.209 0.662 117 HZ3 TRP 20 HZ3 TRP 20 0.988 9.704 3.865 118 HH2 TRP 20 HH TRP 20 2.338 11.564 3.030 119 H TYR 21 H TYR 21 -2.693 6.567 -3.565 120 HA TYR 21 HA TYR 21 -5.036 5.038 -2.730 121 1HB TYR 21 1HB TYR 21 -4.974 6.000 -5.005 122 2HB TYR 21 1HB TYR 21 -3.534 5.051 -5.361 123 HD1 TYR 21 HD1 TYR 21 -3.708 2.779 -6.030 124 HD2 TYR 21 HD2 TYR 21 -7.148 4.842 -4.620 125 HE1 TYR 21 HE1 TYR 21 -5.128 0.930 -6.809 126 HE2 TYR 21 HE2 TYR 21 -8.580 2.998 -5.387 127 HH TYR 21 HH TYR 21 -8.468 1.183 -7.123 128 H THR 22 H THR 22 -4.562 3.375 -1.442 129 HA THR 22 HA THR 22 -2.106 1.895 -1.718 130 HB THR 22 HB THR 22 -4.465 1.168 0.014 131 HG1 THR 22 HG1 THR 22 -2.585 3.242 0.255 132 1HG2 THR 22 1HG2 THR 22 -1.493 0.707 0.314 133 2HG2 THR 22 2HG2 THR 22 -2.673 -0.501 -0.199 134 3HG2 THR 22 3HG2 THR 22 -2.745 0.165 1.435 135 H GLY 23 H GLY 23 -1.960 0.583 -3.424 136 1HA GLY 23 2HA GLY 23 -4.336 -0.922 -4.277 137 2HA GLY 23 1HA GLY 23 -2.876 -0.667 -5.226 138 H TYR 24 H TYR 24 -4.557 -2.777 -3.243 139 HA TYR 24 HA TYR 24 -2.217 -4.377 -2.573 140 1HB TYR 24 1HB TYR 24 -3.998 -4.061 -0.866 141 2HB TYR 24 1HB TYR 24 -5.140 -4.866 -1.936 142 HD1 TYR 24 HD1 TYR 24 -5.297 -7.223 -1.984 143 HD2 TYR 24 HD2 TYR 24 -2.040 -5.374 0.034 144 HE1 TYR 24 HE1 TYR 24 -4.670 -9.395 -1.016 145 HE2 TYR 24 HE2 TYR 24 -1.405 -7.541 1.006 146 HH TYR 24 HH TYR 24 -2.559 -9.707 1.557 147 H THR 25 H THR 25 -1.482 -5.422 -4.321 148 HA THR 25 HA THR 25 -3.430 -6.642 -6.154 149 HB THR 25 HB THR 25 -0.513 -5.977 -6.593 150 HG1 THR 25 HG1 THR 25 -2.762 -4.518 -6.790 151 1HG2 THR 25 1HG2 THR 25 -1.213 -7.948 -7.885 152 2HG2 THR 25 2HG2 THR 25 -0.907 -6.558 -8.926 153 3HG2 THR 25 3HG2 THR 25 -2.564 -7.023 -8.547 154 H THR 26 H THR 26 -3.736 -8.739 -6.003 155 HA THR 26 HA THR 26 -1.408 -10.443 -5.420 156 HB THR 26 HB THR 26 -4.283 -11.121 -4.736 157 HG1 THR 26 HG1 THR 26 -3.148 -9.410 -3.446 158 1HG2 THR 26 1HG2 THR 26 -3.270 -12.978 -3.478 159 2HG2 THR 26 2HG2 THR 26 -1.677 -12.496 -4.057 160 3HG2 THR 26 3HG2 THR 26 -2.890 -13.078 -5.195 161 H ASP 27 H ASP 27 -1.191 -10.121 -7.766 162 HA ASP 27 HA ASP 27 -2.948 -11.893 -9.310 163 1HB ASP 27 1HB ASP 27 -2.274 -9.023 -9.923 164 2HB ASP 27 1HB ASP 27 -2.719 -10.149 -11.198 165 H VAL 28 H VAL 28 -1.338 -13.470 -9.540 166 HA VAL 28 HA VAL 28 1.120 -12.993 -10.845 167 HB VAL 28 HB VAL 28 0.556 -15.190 -9.879 168 1HG1 VAL 28 1HG1 VAL 28 -1.786 -15.330 -10.438 169 2HG1 VAL 28 2HG1 VAL 28 -0.934 -16.734 -11.089 170 3HG1 VAL 28 3HG1 VAL 28 -1.402 -15.411 -12.159 171 1HG2 VAL 28 1HG2 VAL 28 2.314 -15.085 -11.542 172 2HG2 VAL 28 2HG2 VAL 28 1.134 -15.278 -12.838 173 3HG2 VAL 28 3HG2 VAL 28 1.422 -16.597 -11.704 174 H ASP 29 H ASP 29 -2.165 -13.044 -11.826 175 HA ASP 29 HA ASP 29 -2.066 -13.273 -14.584 176 1HB ASP 29 1HB ASP 29 -4.138 -13.294 -13.298 177 2HB ASP 29 1HB ASP 29 -3.890 -11.620 -12.822 178 H ARG 30 H ARG 30 -2.174 -10.254 -12.703 179 HA ARG 30 HA ARG 30 -1.793 -8.517 -14.864 180 1HB ARG 30 1HB ARG 30 -2.596 -7.952 -12.511 181 2HB ARG 30 1HB ARG 30 -0.905 -7.978 -12.027 182 1HG ARG 30 1HG ARG 30 -0.456 -6.210 -13.711 183 2HG ARG 30 1HG ARG 30 -2.191 -6.127 -14.028 184 1HD ARG 30 1HD ARG 30 -0.781 -5.543 -11.424 185 2HD ARG 30 1HD ARG 30 -1.559 -4.377 -12.492 186 HE ARG 30 HE ARG 30 -2.916 -6.333 -10.770 187 1HH1 ARG 30 1HH1 ARG 30 -3.084 -3.593 -12.938 188 2HH1 ARG 30 2HH1 ARG 30 -4.686 -3.137 -12.450 189 1HH2 ARG 30 1HH2 ARG 30 -5.026 -5.722 -10.101 190 2HH2 ARG 30 2HH2 ARG 30 -5.789 -4.355 -10.857 191 H ARG 31 H ARG 31 0.468 -10.149 -12.748 192 HA ARG 31 HA ARG 31 2.795 -8.759 -13.523 193 1HB ARG 31 1HB ARG 31 2.800 -9.978 -11.466 194 2HB ARG 31 1HB ARG 31 2.384 -11.478 -12.282 195 1HG ARG 31 1HG ARG 31 4.726 -11.437 -11.612 196 2HG ARG 31 1HG ARG 31 4.556 -11.519 -13.365 197 1HD ARG 31 1HD ARG 31 4.892 -9.053 -13.447 198 2HD ARG 31 1HD ARG 31 5.218 -9.089 -11.714 199 HE ARG 31 HE ARG 31 7.055 -10.752 -12.396 200 1HH1 ARG 31 1HH1 ARG 31 5.996 -8.033 -14.341 201 2HH1 ARG 31 2HH1 ARG 31 7.536 -7.814 -15.107 202 1HH2 ARG 31 1HH2 ARG 31 9.080 -10.474 -13.433 203 2HH2 ARG 31 2HH2 ARG 31 9.288 -9.200 -14.600 204 H ILE 32 H ILE 32 1.610 -11.992 -14.502 205 HA ILE 32 HA ILE 32 3.719 -12.495 -16.284 206 HB ILE 32 HB ILE 32 2.239 -14.253 -15.351 207 1HG1 ILE 32 1HG1 ILE 32 2.372 -14.206 -18.372 208 2HG1 ILE 32 1HG1 ILE 32 3.678 -14.695 -17.298 209 1HG2 ILE 32 1HG2 ILE 32 0.237 -13.257 -17.371 210 2HG2 ILE 32 2HG2 ILE 32 0.091 -13.147 -15.618 211 3HG2 ILE 32 3HG2 ILE 32 0.085 -14.728 -16.405 212 1HD1 ILE 32 1HD1 ILE 32 2.515 -16.609 -18.272 213 2HD1 ILE 32 2HD1 ILE 32 1.008 -16.067 -17.526 214 3HD1 ILE 32 3HD1 ILE 32 2.363 -16.571 -16.515 215 H LYS 33 H LYS 33 0.604 -10.919 -16.766 216 HA LYS 33 HA LYS 33 0.621 -10.867 -19.564 217 1HB LYS 33 1HB LYS 33 -0.698 -9.127 -17.506 218 2HB LYS 33 1HB LYS 33 -0.863 -8.790 -19.225 219 1HG LYS 33 1HG LYS 33 -1.870 -10.931 -19.608 220 2HG LYS 33 1HG LYS 33 -1.559 -11.423 -17.944 221 1HD LYS 33 1HD LYS 33 -3.066 -9.677 -17.143 222 2HD LYS 33 1HD LYS 33 -3.365 -9.168 -18.807 223 1HE LYS 33 1HE LYS 33 -4.460 -11.196 -19.330 224 2HE LYS 33 1HE LYS 33 -3.894 -11.969 -17.852 225 1HZ LYS 33 1HZ LYS 33 -6.198 -11.363 -17.651 226 2HZ LYS 33 2HZ LYS 33 -5.857 -9.747 -18.014 227 3HZ LYS 33 3HZ LYS 33 -5.273 -10.434 -16.576 228 H LYS 34 H LYS 34 1.542 -8.164 -17.360 229 HA LYS 34 HA LYS 34 2.640 -6.638 -19.473 230 1HB LYS 34 1HB LYS 34 2.057 -5.586 -17.320 231 2HB LYS 34 1HB LYS 34 3.359 -6.474 -16.533 232 1HG LYS 34 1HG LYS 34 5.009 -5.330 -17.891 233 2HG LYS 34 1HG LYS 34 3.738 -4.498 -18.777 234 1HD LYS 34 1HD LYS 34 3.082 -3.310 -16.751 235 2HD LYS 34 1HD LYS 34 4.316 -4.179 -15.828 236 1HE LYS 34 1HE LYS 34 6.063 -3.200 -17.218 237 2HE LYS 34 1HE LYS 34 4.849 -2.379 -18.194 238 1HZ LYS 34 1HZ LYS 34 5.912 -0.928 -16.552 239 2HZ LYS 34 2HZ LYS 34 5.306 -1.891 -15.294 240 3HZ LYS 34 3HZ LYS 34 4.239 -1.043 -16.307 241 H HIS 35 H HIS 35 3.930 -9.231 -17.556 242 HA HIS 35 HA HIS 35 6.664 -8.899 -18.079 243 1HB HIS 35 1HB HIS 35 5.814 -10.533 -16.451 244 2HB HIS 35 1HB HIS 35 5.079 -11.466 -17.749 245 HD1 HIS 35 HD1 HIS 35 6.439 -13.394 -18.505 246 HD2 HIS 35 HD2 HIS 35 8.791 -10.407 -16.824 247 HE1 HIS 35 HE1 HIS 35 8.776 -14.316 -18.461 248 HE2 HIS 35 HE2 HIS 35 10.141 -12.570 -17.260 249 H ALA 36 H ALA 36 4.360 -11.034 -19.765 250 HA ALA 36 HA ALA 36 6.041 -11.583 -21.955 251 1HB ALA 36 1HB ALA 36 4.134 -12.982 -21.328 252 2HB ALA 36 2HB ALA 36 4.066 -12.498 -23.024 253 3HB ALA 36 3HB ALA 36 3.035 -11.701 -21.837 254 H SER 37 H SER 37 3.242 -9.375 -21.756 255 HA SER 37 HA SER 37 3.753 -8.548 -24.508 256 1HB SER 37 1HB SER 37 1.423 -7.896 -22.697 257 2HB SER 37 1HB SER 37 1.493 -7.695 -24.452 258 HG SER 37 HG SER 37 1.875 -10.058 -24.491 259 H GLY 38 H GLY 38 3.820 -7.205 -21.281 260 1HA GLY 38 2HA GLY 38 3.273 -4.519 -21.966 261 2HA GLY 38 1HA GLY 38 3.985 -5.073 -20.462 262 H LYS 39 H LYS 39 6.275 -6.307 -21.849 263 HA LYS 39 HA LYS 39 8.139 -4.299 -21.526 264 1HB LYS 39 1HB LYS 39 8.346 -6.713 -23.325 265 2HB LYS 39 1HB LYS 39 9.702 -5.738 -22.785 266 1HG LYS 39 1HG LYS 39 9.320 -6.400 -20.501 267 2HG LYS 39 1HG LYS 39 7.873 -7.294 -20.978 268 1HD LYS 39 1HD LYS 39 10.686 -7.880 -21.914 269 2HD LYS 39 1HD LYS 39 9.803 -8.788 -20.685 270 1HE LYS 39 1HE LYS 39 8.123 -9.412 -22.330 271 2HE LYS 39 1HE LYS 39 8.945 -8.451 -23.557 272 1HZ LYS 39 1HZ LYS 39 10.222 -10.730 -22.158 273 2HZ LYS 39 2HZ LYS 39 10.780 -9.919 -23.532 274 3HZ LYS 39 3HZ LYS 39 9.395 -10.892 -23.626 275 H GLY 40 H GLY 40 7.103 -5.597 -24.688 276 1HA GLY 40 2HA GLY 40 8.205 -3.169 -25.930 277 2HA GLY 40 1HA GLY 40 7.929 -4.699 -26.750 278 H ALA 41 H ALA 41 5.758 -2.782 -24.694 279 HA ALA 41 HA ALA 41 4.197 -2.028 -27.026 280 1HB ALA 41 1HB ALA 41 3.291 -4.232 -26.431 281 2HB ALA 41 2HB ALA 41 2.109 -2.948 -26.172 282 3HB ALA 41 3HB ALA 41 2.965 -3.647 -24.799 283 H LYS 42 H LYS 42 3.344 -2.254 -23.599 284 HA LYS 42 HA LYS 42 2.533 -0.723 -22.135 285 1HB LYS 42 1HB LYS 42 4.952 -0.169 -22.132 286 2HB LYS 42 1HB LYS 42 4.665 1.025 -23.384 287 1HG LYS 42 1HG LYS 42 3.563 2.465 -21.937 288 2HG LYS 42 1HG LYS 42 3.219 1.186 -20.772 289 1HD LYS 42 1HD LYS 42 4.990 2.725 -20.002 290 2HD LYS 42 1HD LYS 42 5.550 1.059 -20.151 291 1HE LYS 42 1HE LYS 42 6.393 1.711 -22.457 292 2HE LYS 42 1HE LYS 42 6.103 3.382 -21.978 293 1HZ LYS 42 1HZ LYS 42 8.408 2.650 -21.600 294 2HZ LYS 42 2HZ LYS 42 7.854 1.484 -20.508 295 3HZ LYS 42 3HZ LYS 42 7.646 3.132 -20.166 296 H TYR 43 H TYR 43 0.570 -0.780 -23.446 297 HA TYR 43 HA TYR 43 0.121 1.158 -25.497 298 1HB TYR 43 1HB TYR 43 -1.023 -1.182 -25.001 299 2HB TYR 43 1HB TYR 43 -2.134 -0.190 -24.066 300 HD1 TYR 43 HD1 TYR 43 -3.699 1.299 -25.168 301 HD2 TYR 43 HD2 TYR 43 -0.900 -0.964 -27.432 302 HE1 TYR 43 HE1 TYR 43 -4.956 1.805 -27.222 303 HE2 TYR 43 HE2 TYR 43 -2.148 -0.462 -29.490 304 HH TYR 43 HH TYR 43 -4.419 0.174 -30.162 305 H THR 44 H THR 44 -0.797 0.863 -22.105 306 HA THR 44 HA THR 44 -2.179 3.388 -22.106 307 HB THR 44 HB THR 44 -3.103 1.800 -20.617 308 HG1 THR 44 HG1 THR 44 -3.280 3.143 -18.981 309 1HG2 THR 44 1HG2 THR 44 -1.850 0.682 -18.838 310 2HG2 THR 44 2HG2 THR 44 -0.366 1.466 -19.381 311 3HG2 THR 44 3HG2 THR 44 -1.178 0.299 -20.424 312 H ARG 45 H ARG 45 -1.096 5.210 -22.197 313 HA ARG 45 HA ARG 45 1.283 5.534 -20.504 314 1HB ARG 45 1HB ARG 45 0.973 6.664 -23.294 315 2HB ARG 45 1HB ARG 45 2.362 6.871 -22.233 316 1HG ARG 45 1HG ARG 45 2.847 4.504 -22.356 317 2HG ARG 45 1HG ARG 45 1.400 4.237 -23.332 318 1HD ARG 45 1HD ARG 45 2.365 5.742 -25.057 319 2HD ARG 45 1HD ARG 45 3.844 5.827 -24.095 320 HE ARG 45 HE ARG 45 3.094 3.130 -24.603 321 1HH1 ARG 45 1HH1 ARG 45 4.549 5.917 -26.143 322 2HH1 ARG 45 2HH1 ARG 45 5.502 4.974 -27.244 323 1HH2 ARG 45 1HH2 ARG 45 4.340 1.880 -26.050 324 2HH2 ARG 45 2HH2 ARG 45 5.385 2.681 -27.196 325 H GLY 46 H GLY 46 -0.353 6.386 -19.052 326 1HA GLY 46 2HA GLY 46 -1.865 8.698 -19.757 327 2HA GLY 46 1HA GLY 46 -1.633 8.061 -18.135 328 H ARG 47 H ARG 47 1.133 8.192 -17.957 329 HA ARG 47 HA ARG 47 2.851 9.573 -17.400 330 1HB ARG 47 1HB ARG 47 2.428 10.373 -19.827 331 2HB ARG 47 1HB ARG 47 1.627 11.749 -19.086 332 1HG ARG 47 1HG ARG 47 3.948 12.228 -19.712 333 2HG ARG 47 1HG ARG 47 3.675 12.394 -17.979 334 1HD ARG 47 1HD ARG 47 4.821 10.418 -17.489 335 2HD ARG 47 1HD ARG 47 4.697 9.830 -19.145 336 HE ARG 47 HE ARG 47 6.353 11.505 -19.763 337 1HH1 ARG 47 1HH1 ARG 47 6.017 10.870 -16.332 338 2HH1 ARG 47 2HH1 ARG 47 7.665 11.292 -15.964 339 1HH2 ARG 47 1HH2 ARG 47 8.499 12.077 -19.284 340 2HH2 ARG 47 2HH2 ARG 47 9.073 11.995 -17.646 341 H GLY 48 H GLY 48 0.058 9.591 -16.254 342 1HA GLY 48 2HA GLY 48 0.212 10.914 -13.956 343 2HA GLY 48 1HA GLY 48 -0.192 12.228 -15.057 344 HA PRO 49 HA PRO 49 -1.155 12.787 -13.148 345 1HB PRO 49 1HB PRO 49 -3.086 13.339 -11.401 346 2HB PRO 49 1HB PRO 49 -3.213 13.865 -13.082 347 1HG PRO 49 1HG PRO 49 -4.566 11.597 -11.699 348 2HG PRO 49 1HG PRO 49 -5.188 12.680 -12.955 349 1HD PRO 49 1HD PRO 49 -4.163 10.096 -13.354 350 2HD PRO 49 1HD PRO 49 -4.454 11.313 -14.613 351 H PHE 50 H PHE 50 -1.827 9.648 -12.518 352 HA PHE 50 HA PHE 50 -1.406 9.603 -9.673 353 1HB PHE 50 1HB PHE 50 -1.496 7.414 -11.750 354 2HB PHE 50 1HB PHE 50 -1.210 7.109 -10.041 355 HD1 PHE 50 HD1 PHE 50 -2.973 7.207 -8.452 356 HD2 PHE 50 HD2 PHE 50 -3.680 8.240 -12.518 357 HE1 PHE 50 HE1 PHE 50 -5.398 7.128 -8.045 358 HE2 PHE 50 HE2 PHE 50 -6.107 8.160 -12.122 359 HZ PHE 50 HZ PHE 50 -6.967 7.604 -9.880 360 H ARG 51 H ARG 51 0.464 9.670 -8.670 361 HA ARG 51 HA ARG 51 2.896 9.065 -10.224 362 1HB ARG 51 1HB ARG 51 2.651 10.994 -7.904 363 2HB ARG 51 1HB ARG 51 4.066 10.737 -8.917 364 1HG ARG 51 1HG ARG 51 2.737 11.560 -10.862 365 2HG ARG 51 1HG ARG 51 1.444 11.971 -9.732 366 1HD ARG 51 1HD ARG 51 4.252 13.070 -9.726 367 2HD ARG 51 1HD ARG 51 2.797 13.924 -10.236 368 HE ARG 51 HE ARG 51 2.606 12.990 -7.542 369 1HH1 ARG 51 1HH1 ARG 51 3.820 15.559 -9.587 370 2HH1 ARG 51 2HH1 ARG 51 3.972 16.695 -8.281 371 1HH2 ARG 51 1HH2 ARG 51 2.773 14.491 -5.817 372 2HH2 ARG 51 2HH2 ARG 51 3.390 16.093 -6.147 373 H LEU 52 H LEU 52 4.213 7.526 -9.435 374 HA LEU 52 HA LEU 52 3.312 5.923 -7.267 375 1HB LEU 52 1HB LEU 52 4.478 4.979 -9.193 376 2HB LEU 52 1HB LEU 52 5.930 5.867 -8.769 377 HG LEU 52 HG LEU 52 6.091 4.574 -6.672 378 1HD1 LEU 52 1HD1 LEU 52 4.694 2.590 -6.377 379 2HD1 LEU 52 2HD1 LEU 52 3.755 3.036 -7.800 380 3HD1 LEU 52 3HD1 LEU 52 3.728 4.066 -6.368 381 1HD2 LEU 52 1HD2 LEU 52 6.749 2.451 -7.709 382 2HD2 LEU 52 2HD2 LEU 52 7.313 3.842 -8.637 383 3HD2 LEU 52 3HD2 LEU 52 5.913 2.921 -9.186 384 H VAL 53 H VAL 53 3.624 6.208 -5.188 385 HA VAL 53 HA VAL 53 5.738 7.981 -4.243 386 HB VAL 53 HB VAL 53 3.612 6.541 -2.641 387 1HG1 VAL 53 1HG1 VAL 53 4.136 8.193 -0.902 388 2HG1 VAL 53 2HG1 VAL 53 5.427 8.838 -1.919 389 3HG1 VAL 53 3HG1 VAL 53 5.534 7.189 -1.298 390 1HG2 VAL 53 1HG2 VAL 53 2.431 8.680 -2.587 391 2HG2 VAL 53 2HG2 VAL 53 2.596 8.080 -4.238 392 3HG2 VAL 53 3HG2 VAL 53 3.643 9.378 -3.662 393 H ALA 54 H ALA 54 4.514 4.748 -3.366 394 HA ALA 54 HA ALA 54 7.227 3.718 -3.270 395 1HB ALA 54 1HB ALA 54 7.048 2.885 -0.991 396 2HB ALA 54 2HB ALA 54 5.468 3.649 -0.820 397 3HB ALA 54 3HB ALA 54 6.909 4.644 -1.021 398 H THR 55 H THR 55 7.200 1.347 -2.762 399 HA THR 55 HA THR 55 4.683 -0.027 -3.222 400 HB THR 55 HB THR 55 7.037 -0.455 -5.085 401 HG1 THR 55 HG1 THR 55 4.968 1.303 -5.172 402 1HG2 THR 55 1HG2 THR 55 5.727 -2.485 -4.672 403 2HG2 THR 55 2HG2 THR 55 5.492 -1.902 -6.321 404 3HG2 THR 55 3HG2 THR 55 4.249 -1.623 -5.100 405 H TRP 56 H TRP 56 4.618 -1.840 -2.062 406 HA TRP 56 HA TRP 56 7.170 -2.959 -1.092 407 1HB TRP 56 1HB TRP 56 4.489 -2.951 0.322 408 2HB TRP 56 1HB TRP 56 5.980 -3.650 0.942 409 HD1 TRP 56 HD TRP 56 7.849 -1.958 1.851 410 HE1 TRP 56 HE1 TRP 56 7.704 0.492 2.626 411 HE3 TRP 56 HE3 TRP 56 3.297 -0.734 -0.130 412 HZ2 TRP 56 HZ2 TRP 56 5.912 2.653 2.426 413 HZ3 TRP 56 HZ3 TRP 56 2.441 1.546 0.211 414 HH2 TRP 56 HH TRP 56 3.722 3.204 1.462 415 H ALA 57 H ALA 57 7.162 -5.289 -0.734 416 HA ALA 57 HA ALA 57 5.048 -6.757 -2.146 417 1HB ALA 57 1HB ALA 57 6.709 -8.116 -3.332 418 2HB ALA 57 2HB ALA 57 8.002 -7.115 -2.671 419 3HB ALA 57 3HB ALA 57 6.824 -6.416 -3.783 420 H PHE 58 H PHE 58 4.457 -8.584 -1.133 421 HA PHE 58 HA PHE 58 6.259 -9.706 0.905 422 1HB PHE 58 1HB PHE 58 3.283 -9.361 1.314 423 2HB PHE 58 1HB PHE 58 4.450 -9.980 2.475 424 HD1 PHE 58 HD1 PHE 58 6.079 -8.456 3.530 425 HD2 PHE 58 HD2 PHE 58 2.960 -7.028 1.012 426 HE1 PHE 58 HE1 PHE 58 6.396 -6.186 4.429 427 HE2 PHE 58 HE2 PHE 58 3.272 -4.761 1.905 428 HZ PHE 58 HZ PHE 58 4.989 -4.336 3.616 429 HA PRO 59 HA PRO 59 4.958 -13.388 -1.305 430 1HB PRO 59 1HB PRO 59 6.756 -14.872 0.401 431 2HB PRO 59 1HB PRO 59 6.941 -14.483 -1.309 432 1HG PRO 59 1HG PRO 59 8.518 -13.452 0.675 433 2HG PRO 59 1HG PRO 59 8.228 -12.645 -0.877 434 1HD PRO 59 1HD PRO 59 6.978 -12.130 1.796 435 2HD PRO 59 1HD PRO 59 7.480 -10.973 0.541 436 H SER 60 H SER 60 4.647 -12.588 1.980 437 HA SER 60 HA SER 60 3.435 -15.132 2.725 438 1HB SER 60 1HB SER 60 3.437 -12.984 4.718 439 2HB SER 60 1HB SER 60 4.056 -14.629 4.837 440 HG SER 60 HG SER 60 5.500 -12.498 4.701 441 H LYS 61 H LYS 61 1.337 -15.419 2.477 442 HA LYS 61 HA LYS 61 -0.477 -13.440 1.673 443 1HB LYS 61 1HB LYS 61 -0.914 -15.741 1.169 444 2HB LYS 61 1HB LYS 61 -0.887 -16.183 2.870 445 1HG LYS 61 1HG LYS 61 -2.939 -14.911 3.240 446 2HG LYS 61 1HG LYS 61 -2.959 -14.454 1.533 447 1HD LYS 61 1HD LYS 61 -3.223 -16.750 0.865 448 2HD LYS 61 1HD LYS 61 -3.013 -17.304 2.526 449 1HE LYS 61 1HE LYS 61 -5.257 -15.514 1.612 450 2HE LYS 61 1HE LYS 61 -5.378 -17.267 1.736 451 1HZ LYS 61 1HZ LYS 61 -4.704 -15.467 4.001 452 2HZ LYS 61 2HZ LYS 61 -4.977 -17.139 4.079 453 3HZ LYS 61 3HZ LYS 61 -6.252 -16.088 3.693 454 H GLU 62 H GLU 62 0.060 -14.936 4.838 455 HA GLU 62 HA GLU 62 -2.054 -13.614 6.167 456 1HB GLU 62 1HB GLU 62 -0.983 -15.695 6.967 457 2HB GLU 62 1HB GLU 62 0.481 -14.790 7.320 458 1HG GLU 62 1HG GLU 62 -0.766 -13.447 8.951 459 2HG GLU 62 1HG GLU 62 -2.206 -14.413 8.619 460 H GLU 63 H GLU 63 1.392 -12.919 5.853 461 HA GLU 63 HA GLU 63 1.501 -10.756 7.648 462 1HB GLU 63 1HB GLU 63 3.470 -11.982 6.776 463 2HB GLU 63 1HB GLU 63 3.198 -11.257 5.200 464 1HG GLU 63 1HG GLU 63 3.584 -9.043 6.155 465 2HG GLU 63 1HG GLU 63 3.879 -9.780 7.729 466 H ALA 64 H ALA 64 1.081 -10.860 4.125 467 HA ALA 64 HA ALA 64 0.970 -8.064 3.753 468 1HB ALA 64 1HB ALA 64 1.477 -9.642 1.948 469 2HB ALA 64 2HB ALA 64 0.139 -8.576 1.524 470 3HB ALA 64 3HB ALA 64 -0.181 -10.241 2.010 471 H MET 65 H MET 65 -1.484 -10.463 4.503 472 HA MET 65 HA MET 65 -3.729 -8.809 3.968 473 1HB MET 65 1HB MET 65 -3.956 -11.229 4.062 474 2HB MET 65 1HB MET 65 -3.468 -11.242 5.749 475 1HG MET 65 1HG MET 65 -5.478 -10.106 6.400 476 2HG MET 65 1HG MET 65 -5.933 -9.862 4.714 477 1HE MET 65 1HE MET 65 -5.376 -12.493 3.267 478 2HE MET 65 2HE MET 65 -6.925 -11.660 3.155 479 3HE MET 65 3HE MET 65 -6.876 -13.391 3.492 480 H ARG 66 H ARG 66 -1.942 -9.567 6.946 481 HA ARG 66 HA ARG 66 -3.496 -7.915 8.652 482 1HB ARG 66 1HB ARG 66 -0.613 -8.801 8.911 483 2HB ARG 66 1HB ARG 66 -1.568 -8.069 10.193 484 1HG ARG 66 1HG ARG 66 -3.056 -9.956 10.238 485 2HG ARG 66 1HG ARG 66 -2.253 -10.672 8.837 486 1HD ARG 66 1HD ARG 66 -1.520 -11.744 10.895 487 2HD ARG 66 1HD ARG 66 -0.187 -10.878 10.141 488 HE ARG 66 HE ARG 66 -1.508 -9.257 12.065 489 1HH1 ARG 66 1HH1 ARG 66 0.785 -11.885 11.736 490 2HH1 ARG 66 2HH1 ARG 66 1.534 -11.586 13.278 491 1HH2 ARG 66 1HH2 ARG 66 -0.487 -8.824 14.063 492 2HH2 ARG 66 2HH2 ARG 66 0.832 -9.836 14.585 493 H TRP 67 H TRP 67 -0.653 -7.417 6.692 494 HA TRP 67 HA TRP 67 0.103 -4.860 7.514 495 1HB TRP 67 1HB TRP 67 1.735 -5.688 6.177 496 2HB TRP 67 1HB TRP 67 0.610 -6.672 5.257 497 HD1 TRP 67 HD TRP 67 -0.158 -5.775 2.948 498 HE1 TRP 67 HE1 TRP 67 0.474 -3.728 1.544 499 HE3 TRP 67 HE3 TRP 67 2.437 -3.171 6.445 500 HZ2 TRP 67 HZ2 TRP 67 1.907 -1.346 1.845 501 HZ3 TRP 67 HZ3 TRP 67 3.434 -1.001 5.810 502 HH2 TRP 67 HH TRP 67 3.158 -0.123 3.536 503 H GLU 68 H GLU 68 -1.731 -5.692 4.595 504 HA GLU 68 HA GLU 68 -2.535 -3.238 3.719 505 1HB GLU 68 1HB GLU 68 -3.009 -5.276 2.511 506 2HB GLU 68 1HB GLU 68 -4.107 -5.817 3.746 507 1HG GLU 68 1HG GLU 68 -5.295 -3.514 3.151 508 2HG GLU 68 1HG GLU 68 -4.497 -3.814 1.609 509 H TYR 69 H TYR 69 -4.249 -5.274 6.026 510 HA TYR 69 HA TYR 69 -6.406 -3.621 6.595 511 1HB TYR 69 1HB TYR 69 -6.131 -5.973 7.376 512 2HB TYR 69 1HB TYR 69 -4.974 -5.404 8.575 513 HD1 TYR 69 HD1 TYR 69 -8.477 -4.777 7.437 514 HD2 TYR 69 HD2 TYR 69 -5.746 -4.896 10.699 515 HE1 TYR 69 HE1 TYR 69 -10.328 -4.339 8.993 516 HE2 TYR 69 HE2 TYR 69 -7.592 -4.467 12.266 517 HH TYR 69 HH TYR 69 -10.829 -4.749 11.429 518 H GLU 70 H GLU 70 -3.180 -3.645 8.066 519 HA GLU 70 HA GLU 70 -3.636 -1.626 9.973 520 1HB GLU 70 1HB GLU 70 -1.396 -3.129 9.026 521 2HB GLU 70 1HB GLU 70 -0.955 -1.428 9.035 522 1HG GLU 70 1HG GLU 70 -2.103 -2.904 11.392 523 2HG GLU 70 1HG GLU 70 -0.386 -2.629 11.118 524 H VAL 71 H VAL 71 -2.621 -1.484 6.577 525 HA VAL 71 HA VAL 71 -1.987 1.237 6.454 526 HB VAL 71 HB VAL 71 -3.189 -0.394 4.220 527 1HG1 VAL 71 1HG1 VAL 71 -1.944 1.163 2.777 528 2HG1 VAL 71 2HG1 VAL 71 -1.462 2.077 4.206 529 3HG1 VAL 71 3HG1 VAL 71 -3.165 1.984 3.751 530 1HG2 VAL 71 1HG2 VAL 71 -1.257 -1.529 5.180 531 2HG2 VAL 71 2HG2 VAL 71 -0.302 -0.055 5.012 532 3HG2 VAL 71 3HG2 VAL 71 -0.889 -0.894 3.576 533 H LYS 72 H LYS 72 -5.061 -0.422 6.201 534 HA LYS 72 HA LYS 72 -6.588 1.855 5.450 535 1HB LYS 72 1HB LYS 72 -7.428 -0.722 6.794 536 2HB LYS 72 1HB LYS 72 -8.527 0.456 6.080 537 1HG LYS 72 1HG LYS 72 -7.714 0.034 3.902 538 2HG LYS 72 1HG LYS 72 -6.352 -0.902 4.514 539 1HD LYS 72 1HD LYS 72 -7.929 -2.608 5.344 540 2HD LYS 72 1HD LYS 72 -9.270 -1.672 4.672 541 1HE LYS 72 1HE LYS 72 -8.428 -1.961 2.446 542 2HE LYS 72 1HE LYS 72 -6.954 -2.712 3.050 543 1HZ LYS 72 1HZ LYS 72 -9.702 -3.829 3.193 544 2HZ LYS 72 2HZ LYS 72 -8.341 -4.534 3.917 545 3HZ LYS 72 3HZ LYS 72 -8.422 -4.388 2.232 546 H HIS 73 H HIS 73 -5.435 0.564 8.464 547 HA HIS 73 HA HIS 73 -7.122 2.231 10.119 548 1HB HIS 73 1HB HIS 73 -4.842 0.357 10.644 549 2HB HIS 73 1HB HIS 73 -5.379 1.462 11.903 550 HD1 HIS 73 HD1 HIS 73 -6.126 -0.552 13.344 551 HD2 HIS 73 HD2 HIS 73 -8.114 -0.197 9.707 552 HE1 HIS 73 HE1 HIS 73 -8.152 -2.032 13.536 553 HE2 HIS 73 HE2 HIS 73 -9.449 -1.614 11.412 554 H LEU 74 H LEU 74 -3.971 2.443 8.683 555 HA LEU 74 HA LEU 74 -2.583 4.096 10.372 556 1HB LEU 74 1HB LEU 74 -2.541 4.286 7.362 557 2HB LEU 74 1HB LEU 74 -1.281 4.813 8.457 558 HG LEU 74 HG LEU 74 -2.130 1.963 7.985 559 1HD1 LEU 74 1HD1 LEU 74 0.084 1.754 6.957 560 2HD1 LEU 74 2HD1 LEU 74 0.338 3.484 7.182 561 3HD1 LEU 74 3HD1 LEU 74 -0.938 2.914 6.109 562 1HD2 LEU 74 1HD2 LEU 74 -1.382 2.264 10.271 563 2HD2 LEU 74 2HD2 LEU 74 0.084 3.060 9.703 564 3HD2 LEU 74 3HD2 LEU 74 -0.194 1.358 9.339 565 H SER 75 H SER 75 -2.939 6.052 11.161 566 HA SER 75 HA SER 75 -4.724 7.920 9.942 567 1HB SER 75 1HB SER 75 -2.693 8.313 12.154 568 2HB SER 75 1HB SER 75 -3.976 9.445 11.727 569 HG SER 75 HG SER 75 -5.336 7.375 12.079 570 H ARG 76 H ARG 76 -3.525 10.351 9.966 571 HA ARG 76 HA ARG 76 -2.304 10.456 7.468 572 1HB ARG 76 1HB ARG 76 -2.052 12.491 9.686 573 2HB ARG 76 1HB ARG 76 -1.786 12.785 7.974 574 1HG ARG 76 1HG ARG 76 -4.144 12.302 7.532 575 2HG ARG 76 1HG ARG 76 -4.404 12.030 9.257 576 1HD ARG 76 1HD ARG 76 -3.587 14.351 9.662 577 2HD ARG 76 1HD ARG 76 -3.565 14.595 7.916 578 HE ARG 76 HE ARG 76 -6.095 13.721 9.061 579 1HH1 ARG 76 1HH1 ARG 76 -4.115 16.385 7.911 580 2HH1 ARG 76 2HH1 ARG 76 -5.461 17.489 7.788 581 1HH2 ARG 76 1HH2 ARG 76 -7.856 15.186 8.892 582 2HH2 ARG 76 2HH2 ARG 76 -7.567 16.808 8.338 583 H ARG 77 H ARG 77 -0.806 10.577 10.692 584 HA ARG 77 HA ARG 77 1.809 11.078 9.742 585 1HB ARG 77 1HB ARG 77 1.086 11.554 12.064 586 2HB ARG 77 1HB ARG 77 1.012 9.823 12.374 587 1HG ARG 77 1HG ARG 77 3.402 9.632 11.924 588 2HG ARG 77 1HG ARG 77 3.480 11.363 11.598 589 1HD ARG 77 1HD ARG 77 4.253 10.948 13.833 590 2HD ARG 77 1HD ARG 77 2.708 11.793 13.901 591 HE ARG 77 HE ARG 77 1.702 9.556 14.355 592 1HH1 ARG 77 1HH1 ARG 77 5.111 10.072 14.979 593 2HH1 ARG 77 2HH1 ARG 77 5.158 8.966 16.320 594 1HH2 ARG 77 1HH2 ARG 77 1.763 8.112 16.134 595 2HH2 ARG 77 2HH2 ARG 77 3.268 7.854 16.979 596 H LYS 78 H LYS 78 0.086 8.098 10.504 597 HA LYS 78 HA LYS 78 2.306 6.370 10.298 598 1HB LYS 78 1HB LYS 78 -0.598 6.113 10.476 599 2HB LYS 78 1HB LYS 78 0.156 4.848 9.518 600 1HG LYS 78 1HG LYS 78 1.427 4.073 11.314 601 2HG LYS 78 1HG LYS 78 1.171 5.550 12.249 602 1HD LYS 78 1HD LYS 78 -1.124 4.998 12.624 603 2HD LYS 78 1HD LYS 78 -1.046 3.652 11.493 604 1HE LYS 78 1HE LYS 78 0.576 3.797 14.028 605 2HE LYS 78 1HE LYS 78 -1.005 3.026 13.927 606 1HZ LYS 78 1HZ LYS 78 -0.058 1.568 12.159 607 2HZ LYS 78 2HZ LYS 78 0.644 1.359 13.682 608 3HZ LYS 78 3HZ LYS 78 1.471 2.226 12.489 609 H LYS 79 H LYS 79 -0.084 7.456 7.915 610 HA LYS 79 HA LYS 79 0.923 5.951 5.747 611 1HB LYS 79 1HB LYS 79 -0.537 8.601 5.742 612 2HB LYS 79 1HB LYS 79 -0.261 7.602 4.322 613 1HG LYS 79 1HG LYS 79 -1.609 5.822 5.285 614 2HG LYS 79 1HG LYS 79 -1.854 6.781 6.746 615 1HD LYS 79 1HD LYS 79 -2.975 8.514 5.376 616 2HD LYS 79 1HD LYS 79 -2.786 7.478 3.961 617 1HE LYS 79 1HE LYS 79 -4.143 5.758 5.019 618 2HE LYS 79 1HE LYS 79 -4.301 6.751 6.464 619 1HZ LYS 79 1HZ LYS 79 -6.267 6.986 5.154 620 2HZ LYS 79 2HZ LYS 79 -5.377 7.344 3.762 621 3HZ LYS 79 3HZ LYS 79 -5.409 8.445 5.051 622 H GLU 80 H GLU 80 1.679 9.148 7.004 623 HA GLU 80 HA GLU 80 3.545 9.896 5.023 624 1HB GLU 80 1HB GLU 80 2.422 11.434 6.625 625 2HB GLU 80 1HB GLU 80 3.389 10.750 7.919 626 1HG GLU 80 1HG GLU 80 5.397 11.626 6.979 627 2HG GLU 80 1HG GLU 80 4.546 12.140 5.521 628 H GLN 81 H GLN 81 3.832 8.206 8.104 629 HA GLN 81 HA GLN 81 6.615 7.950 8.235 630 1HB GLN 81 1HB GLN 81 5.203 7.438 10.142 631 2HB GLN 81 1HB GLN 81 4.417 6.141 9.254 632 1HG GLN 81 1HG GLN 81 5.970 5.230 10.845 633 2HG GLN 81 1HG GLN 81 6.533 4.905 9.209 634 1HE2 GLN 81 1HE2 GLN 81 8.376 5.923 8.456 635 2HE2 GLN 81 2HE2 GLN 81 9.494 6.721 9.516 636 H LEU 82 H LEU 82 4.176 6.052 6.557 637 HA LEU 82 HA LEU 82 5.944 3.991 5.730 638 1HB LEU 82 1HB LEU 82 3.200 4.854 4.945 639 2HB LEU 82 1HB LEU 82 4.065 3.732 3.906 640 HG LEU 82 HG LEU 82 3.317 3.316 6.797 641 1HD1 LEU 82 1HD1 LEU 82 2.470 1.937 4.263 642 2HD1 LEU 82 2HD1 LEU 82 1.486 3.024 5.247 643 3HD1 LEU 82 3HD1 LEU 82 2.002 1.467 5.897 644 1HD2 LEU 82 1HD2 LEU 82 4.910 1.534 4.958 645 2HD2 LEU 82 2HD2 LEU 82 4.296 1.079 6.547 646 3HD2 LEU 82 3HD2 LEU 82 5.509 2.350 6.404 647 H VAL 83 H VAL 83 5.037 7.094 4.355 648 HA VAL 83 HA VAL 83 6.411 6.725 1.888 649 HB VAL 83 HB VAL 83 5.687 9.277 3.344 650 1HG1 VAL 83 1HG1 VAL 83 6.004 10.407 1.202 651 2HG1 VAL 83 2HG1 VAL 83 6.541 8.892 0.473 652 3HG1 VAL 83 3HG1 VAL 83 7.504 9.651 1.742 653 1HG2 VAL 83 1HG2 VAL 83 4.333 7.744 1.139 654 2HG2 VAL 83 2HG2 VAL 83 3.844 9.345 1.698 655 3HG2 VAL 83 3HG2 VAL 83 3.755 7.961 2.790 656 H SER 84 H SER 84 7.302 7.932 5.061 657 HA SER 84 HA SER 84 9.973 8.632 4.381 658 1HB SER 84 1HB SER 84 8.779 9.483 6.390 659 2HB SER 84 1HB SER 84 8.824 7.861 7.076 660 HG SER 84 HG SER 84 11.276 8.779 6.251 661 H LEU 85 H LEU 85 8.342 5.683 4.892 662 HA LEU 85 HA LEU 85 10.741 4.167 5.518 663 1HB LEU 85 1HB LEU 85 8.537 3.654 6.573 664 2HB LEU 85 1HB LEU 85 7.930 3.184 4.997 665 HG LEU 85 HG LEU 85 9.618 1.384 4.906 666 1HD1 LEU 85 1HD1 LEU 85 11.317 2.364 6.330 667 2HD1 LEU 85 2HD1 LEU 85 10.837 0.784 6.945 668 3HD1 LEU 85 3HD1 LEU 85 10.242 2.249 7.724 669 1HD2 LEU 85 1HD2 LEU 85 8.565 -0.065 6.582 670 2HD2 LEU 85 2HD2 LEU 85 7.378 0.900 5.703 671 3HD2 LEU 85 3HD2 LEU 85 7.844 1.354 7.342 672 H LYS 86 H LYS 86 9.396 5.435 2.795 673 HA LYS 86 HA LYS 86 9.696 3.474 0.837 674 1HB LYS 86 1HB LYS 86 8.746 5.675 0.378 675 2HB LYS 86 1HB LYS 86 10.289 6.441 0.720 676 1HG LYS 86 1HG LYS 86 11.245 5.190 -1.216 677 2HG LYS 86 1HG LYS 86 9.608 4.649 -1.593 678 1HD LYS 86 1HD LYS 86 10.230 6.613 -2.924 679 2HD LYS 86 1HD LYS 86 8.883 6.965 -1.840 680 1HE LYS 86 1HE LYS 86 10.371 8.066 -0.282 681 2HE LYS 86 1HE LYS 86 11.770 7.622 -1.262 682 1HZ LYS 86 1HZ LYS 86 9.562 9.416 -2.123 683 2HZ LYS 86 2HZ LYS 86 10.928 9.005 -3.044 684 3HZ LYS 86 3HZ LYS 86 11.107 9.916 -1.627 685 H GLY 87 H GLY 87 11.445 2.584 -0.175 686 1HA GLY 87 2HA GLY 87 13.987 2.799 1.146 687 2HA GLY 87 1HA GLY 87 13.612 1.780 -0.235 688 H GLY 88 H GLY 88 13.928 5.243 0.540 689 1HA GLY 88 2HA GLY 88 14.886 6.974 -0.619 690 2HA GLY 88 1HA GLY 88 15.952 5.775 -1.343 691 HA PRO 89 HA PRO 89 13.621 7.158 -5.003 692 1HB PRO 89 1HB PRO 89 15.724 5.579 -6.342 693 2HB PRO 89 1HB PRO 89 15.247 7.257 -6.608 694 1HG PRO 89 1HG PRO 89 17.563 6.618 -5.403 695 2HG PRO 89 1HG PRO 89 16.632 8.055 -4.940 696 1HD PRO 89 1HD PRO 89 16.841 5.405 -3.569 697 2HD PRO 89 1HD PRO 89 16.759 7.036 -2.872 698 H TYR 90 H TYR 90 15.092 4.019 -4.412 699 HA TYR 90 HA TYR 90 12.945 2.350 -4.461 700 1HB TYR 90 1HB TYR 90 12.455 3.100 -6.769 701 2HB TYR 90 1HB TYR 90 14.075 2.628 -7.269 702 HD1 TYR 90 HD1 TYR 90 10.921 1.243 -5.852 703 HD2 TYR 90 HD2 TYR 90 14.471 0.466 -8.065 704 HE1 TYR 90 HE1 TYR 90 10.095 -1.014 -6.376 705 HE2 TYR 90 HE2 TYR 90 13.653 -1.792 -8.599 706 HH TYR 90 HH TYR 90 10.429 -2.768 -8.014 707 H GLU 91 H GLU 91 16.156 3.002 -5.492 708 HA GLU 91 HA GLU 91 17.162 0.546 -4.273 709 1HB GLU 91 1HB GLU 91 16.831 0.506 -6.907 710 2HB GLU 91 1HB GLU 91 18.276 1.498 -6.904 711 1HG GLU 91 1HG GLU 91 18.252 -1.130 -5.483 712 2HG GLU 91 1HG GLU 91 18.456 -1.065 -7.230 713 H ASN 92 H ASN 92 19.713 0.870 -4.149 714 HA ASN 92 HA ASN 92 20.294 3.462 -3.085 715 1HB ASN 92 1HB ASN 92 21.423 1.463 -2.234 716 2HB ASN 92 1HB ASN 92 22.122 1.160 -3.820 717 1HD2 ASN 92 1HD2 ASN 92 23.922 2.286 -4.452 718 2HD2 ASN 92 2HD2 ASN 92 24.799 3.340 -3.402 719 H THR 93 H THR 93 19.952 2.313 -6.123 720 HA THR 93 HA THR 93 20.357 2.989 -8.202 721 HB THR 93 HB THR 93 20.726 5.455 -8.591 722 HG1 THR 93 HG1 THR 93 21.405 5.449 -6.055 723 1HG2 THR 93 1HG2 THR 93 18.452 6.062 -7.874 724 2HG2 THR 93 2HG2 THR 93 18.396 4.615 -6.868 725 3HG2 THR 93 3HG2 THR 93 18.509 4.465 -8.622 726 H THR 94 H THR 94 22.140 1.639 -8.346 727 HA THR 94 HA THR 94 24.791 2.568 -7.916 728 HB THR 94 HB THR 94 23.980 0.327 -9.778 729 HG1 THR 94 HG1 THR 94 22.966 0.104 -7.675 730 1HG2 THR 94 1HG2 THR 94 26.426 0.771 -8.060 731 2HG2 THR 94 2HG2 THR 94 26.345 0.965 -9.812 732 3HG2 THR 94 3HG2 THR 94 26.129 -0.629 -9.093 733 H LYS 95 H LYS 95 24.617 4.633 -8.960 734 HA LYS 95 HA LYS 95 24.839 4.504 -11.903 735 1HB LYS 95 1HB LYS 95 22.798 5.662 -10.946 736 2HB LYS 95 1HB LYS 95 23.887 6.864 -10.271 737 1HG LYS 95 1HG LYS 95 24.714 7.118 -12.714 738 2HG LYS 95 1HG LYS 95 23.183 6.338 -13.124 739 1HD LYS 95 1HD LYS 95 22.015 8.069 -11.760 740 2HD LYS 95 1HD LYS 95 23.565 8.885 -11.556 741 1HE LYS 95 1HE LYS 95 23.730 9.040 -14.039 742 2HE LYS 95 1HE LYS 95 22.094 8.389 -14.140 743 1HZ LYS 95 1HZ LYS 95 21.724 10.643 -14.214 744 2HZ LYS 95 2HZ LYS 95 22.996 11.009 -13.159 745 3HZ LYS 95 3HZ LYS 95 21.559 10.352 -12.549 746 H LEU 96 H LEU 96 26.730 4.536 -9.441 747 HA LEU 96 HA LEU 96 28.874 5.152 -9.042 748 1HB LEU 96 1HB LEU 96 28.785 6.839 -11.540 749 2HB LEU 96 1HB LEU 96 30.210 6.258 -10.698 750 HG LEU 96 HG LEU 96 28.249 4.632 -12.313 751 1HD1 LEU 96 1HD1 LEU 96 29.862 5.831 -13.645 752 2HD1 LEU 96 2HD1 LEU 96 30.247 4.109 -13.650 753 3HD1 LEU 96 3HD1 LEU 96 31.185 5.219 -12.652 754 1HD2 LEU 96 1HD2 LEU 96 29.588 2.680 -11.766 755 2HD2 LEU 96 2HD2 LEU 96 28.882 3.388 -10.311 756 3HD2 LEU 96 3HD2 LEU 96 30.587 3.648 -10.684 757 H SER 97 H SER 97 26.286 7.194 -9.159 758 HA SER 97 HA SER 97 27.536 9.603 -8.257 759 1HB SER 97 1HB SER 97 25.095 10.121 -7.594 760 2HB SER 97 1HB SER 97 25.441 9.890 -9.311 761 HG SER 97 HG SER 97 23.674 8.598 -7.888 762 H THR 98 H THR 98 25.489 7.155 -6.697 763 HA THR 98 HA THR 98 26.524 7.872 -4.078 764 HB THR 98 HB THR 98 24.970 5.840 -3.471 765 HG1 THR 98 HG1 THR 98 23.488 5.339 -5.023 766 1HG2 THR 98 1HG2 THR 98 23.034 7.347 -3.384 767 2HG2 THR 98 2HG2 THR 98 23.846 8.458 -4.487 768 3HG2 THR 98 3HG2 THR 98 24.508 8.175 -2.877 769 H THR 99 H THR 99 28.522 7.127 -3.703 770 HA THR 99 HA THR 99 29.336 4.568 -4.844 771 HB THR 99 HB THR 99 31.018 6.565 -3.320 772 HG1 THR 99 HG1 THR 99 29.908 6.782 -5.739 773 1HG2 THR 99 1HG2 THR 99 32.009 4.334 -3.450 774 2HG2 THR 99 2HG2 THR 99 32.891 5.460 -4.482 775 3HG2 THR 99 3HG2 THR 99 31.759 4.312 -5.195 Start of MODEL 6 1 H MET 6 H MET 6 0.276 -16.256 -3.557 2 HA MET 6 HA MET 6 1.175 -15.941 -6.307 3 1HB MET 6 1HB MET 6 -1.524 -15.088 -5.259 4 2HB MET 6 1HB MET 6 -0.784 -14.315 -6.654 5 1HG MET 6 1HG MET 6 -1.232 -16.041 -8.011 6 2HG MET 6 1HG MET 6 -0.862 -17.243 -6.776 7 1HE MET 6 1HE MET 6 -2.789 -16.504 -4.388 8 2HE MET 6 2HE MET 6 -2.516 -18.129 -5.018 9 3HE MET 6 3HE MET 6 -4.161 -17.536 -4.787 10 H ASN 7 H ASN 7 1.286 -13.458 -6.762 11 HA ASN 7 HA ASN 7 2.852 -12.420 -4.549 12 1HB ASN 7 1HB ASN 7 2.543 -11.458 -7.400 13 2HB ASN 7 1HB ASN 7 3.584 -10.696 -6.201 14 1HD2 ASN 7 1HD2 ASN 7 3.119 -13.450 -8.258 15 2HD2 ASN 7 2HD2 ASN 7 4.695 -14.131 -8.056 16 H HIS 8 H HIS 8 2.072 -11.039 -3.140 17 HA HIS 8 HA HIS 8 -0.431 -9.639 -3.736 18 1HB HIS 8 1HB HIS 8 1.059 -9.852 -1.110 19 2HB HIS 8 1HB HIS 8 -0.555 -9.201 -1.338 20 HD1 HIS 8 HD1 HIS 8 -2.351 -10.773 -0.701 21 HD2 HIS 8 HD2 HIS 8 1.091 -12.775 -1.910 22 HE1 HIS 8 HE1 HIS 8 -2.829 -13.216 -0.362 23 HE2 HIS 8 HE2 HIS 8 -0.770 -14.409 -1.182 24 H TYR 9 H TYR 9 -0.134 -7.701 -4.660 25 HA TYR 9 HA TYR 9 2.235 -6.143 -3.970 26 1HB TYR 9 1HB TYR 9 0.296 -6.103 -6.240 27 2HB TYR 9 1HB TYR 9 1.192 -4.639 -5.861 28 HD1 TYR 9 HD1 TYR 9 1.630 -8.233 -6.723 29 HD2 TYR 9 HD2 TYR 9 3.380 -4.358 -6.603 30 HE1 TYR 9 HE1 TYR 9 3.551 -9.063 -8.018 31 HE2 TYR 9 HE2 TYR 9 5.301 -5.173 -7.897 32 HH TYR 9 HH TYR 9 6.415 -7.169 -8.473 33 H VAL 10 H VAL 10 2.019 -4.921 -2.235 34 HA VAL 10 HA VAL 10 -0.431 -3.384 -1.807 35 HB VAL 10 HB VAL 10 2.148 -3.177 -0.230 36 1HG1 VAL 10 1HG1 VAL 10 0.676 -2.233 1.502 37 2HG1 VAL 10 2HG1 VAL 10 -0.687 -2.360 0.392 38 3HG1 VAL 10 3HG1 VAL 10 0.661 -1.288 0.013 39 1HG2 VAL 10 1HG2 VAL 10 1.176 -4.651 1.442 40 2HG2 VAL 10 2HG2 VAL 10 1.334 -5.487 -0.106 41 3HG2 VAL 10 3HG2 VAL 10 -0.243 -4.902 0.421 42 H TYR 11 H TYR 11 -0.637 -1.602 -3.015 43 HA TYR 11 HA TYR 11 1.795 -0.051 -3.582 44 1HB TYR 11 1HB TYR 11 0.804 0.559 -5.782 45 2HB TYR 11 1HB TYR 11 1.163 -1.157 -5.640 46 HD1 TYR 11 HD1 TYR 11 -1.455 1.345 -6.032 47 HD2 TYR 11 HD2 TYR 11 -0.667 -2.793 -5.433 48 HE1 TYR 11 HE1 TYR 11 -3.766 0.815 -6.677 49 HE2 TYR 11 HE2 TYR 11 -2.978 -3.333 -6.076 50 HH TYR 11 HH TYR 11 -5.093 -1.005 -7.477 51 H ILE 12 H ILE 12 1.705 2.062 -3.115 52 HA ILE 12 HA ILE 12 -0.968 3.185 -2.651 53 HB ILE 12 HB ILE 12 0.397 2.998 -0.561 54 1HG1 ILE 12 1HG1 ILE 12 -0.236 5.823 -1.431 55 2HG1 ILE 12 1HG1 ILE 12 -1.398 4.668 -0.780 56 1HG2 ILE 12 1HG2 ILE 12 2.235 4.561 -0.197 57 2HG2 ILE 12 2HG2 ILE 12 2.118 5.077 -1.878 58 3HG2 ILE 12 3HG2 ILE 12 2.605 3.423 -1.497 59 1HD1 ILE 12 1HD1 ILE 12 -0.656 6.297 0.894 60 2HD1 ILE 12 2HD1 ILE 12 1.004 5.735 0.689 61 3HD1 ILE 12 3HD1 ILE 12 -0.220 4.642 1.339 62 H LEU 13 H LEU 13 -1.546 4.556 -4.115 63 HA LEU 13 HA LEU 13 0.528 5.950 -5.678 64 1HB LEU 13 1HB LEU 13 -2.268 5.113 -6.439 65 2HB LEU 13 1HB LEU 13 -1.218 6.079 -7.454 66 HG LEU 13 HG LEU 13 -0.597 3.267 -6.551 67 1HD1 LEU 13 1HD1 LEU 13 -1.157 2.602 -8.819 68 2HD1 LEU 13 2HD1 LEU 13 -1.610 4.263 -9.207 69 3HD1 LEU 13 3HD1 LEU 13 -2.547 3.345 -8.027 70 1HD2 LEU 13 1HD2 LEU 13 0.714 5.071 -8.582 71 2HD2 LEU 13 2HD2 LEU 13 1.129 3.381 -8.288 72 3HD2 LEU 13 3HD2 LEU 13 1.389 4.583 -7.025 73 H GLU 14 H GLU 14 0.572 8.111 -5.580 74 HA GLU 14 HA GLU 14 -1.531 9.480 -4.136 75 1HB GLU 14 1HB GLU 14 0.755 10.223 -3.763 76 2HB GLU 14 1HB GLU 14 0.954 10.555 -5.481 77 1HG GLU 14 1HG GLU 14 -0.733 12.288 -5.368 78 2HG GLU 14 1HG GLU 14 -1.011 11.928 -3.667 79 H CYS 15 H CYS 15 -3.214 10.447 -5.025 80 HA CYS 15 HA CYS 15 -3.506 10.318 -7.897 81 1HB CYS 15 1HB CYS 15 -5.328 9.683 -6.292 82 2HB CYS 15 1HB CYS 15 -5.451 11.378 -5.841 83 HG CYS 15 HG CYS 15 -7.314 11.786 -7.534 84 H LYS 16 H LYS 16 -4.571 12.241 -8.961 85 HA LYS 16 HA LYS 16 -2.799 14.397 -9.040 86 1HB LYS 16 1HB LYS 16 -4.558 15.452 -10.486 87 2HB LYS 16 1HB LYS 16 -4.103 13.824 -10.966 88 1HG LYS 16 1HG LYS 16 -6.087 12.910 -9.979 89 2HG LYS 16 1HG LYS 16 -6.521 14.480 -9.300 90 1HD LYS 16 1HD LYS 16 -6.795 15.389 -11.542 91 2HD LYS 16 1HD LYS 16 -6.314 13.840 -12.242 92 1HE LYS 16 1HE LYS 16 -8.777 14.221 -12.198 93 2HE LYS 16 1HE LYS 16 -8.261 12.765 -11.354 94 1HZ LYS 16 1HZ LYS 16 -8.599 13.779 -9.278 95 2HZ LYS 16 2HZ LYS 16 -9.961 14.190 -10.192 96 3HZ LYS 16 3HZ LYS 16 -8.728 15.326 -9.944 97 H ASP 17 H ASP 17 -5.725 13.897 -7.225 98 HA ASP 17 HA ASP 17 -6.115 16.638 -6.517 99 1HB ASP 17 1HB ASP 17 -7.669 15.556 -4.741 100 2HB ASP 17 1HB ASP 17 -8.096 15.418 -6.443 101 H GLY 18 H GLY 18 -5.458 13.881 -4.327 102 1HA GLY 18 2HA GLY 18 -3.136 15.014 -3.217 103 2HA GLY 18 1HA GLY 18 -4.514 15.538 -2.268 104 H SER 19 H SER 19 -5.863 12.893 -2.909 105 HA SER 19 HA SER 19 -5.066 11.670 -0.467 106 1HB SER 19 1HB SER 19 -7.395 11.664 -1.316 107 2HB SER 19 1HB SER 19 -6.892 10.591 -2.624 108 HG SER 19 HG SER 19 -6.464 8.996 -1.139 109 H TRP 20 H TRP 20 -3.842 9.907 -0.068 110 HA TRP 20 HA TRP 20 -2.421 8.668 -2.288 111 1HB TRP 20 1HB TRP 20 -2.121 8.317 0.707 112 2HB TRP 20 1HB TRP 20 -1.190 7.430 -0.485 113 HD1 TRP 20 HD TRP 20 -0.918 10.267 -2.306 114 HE1 TRP 20 HE1 TRP 20 0.977 11.860 -1.598 115 HE3 TRP 20 HE3 TRP 20 -0.165 8.537 2.446 116 HZ2 TRP 20 HZ2 TRP 20 2.571 12.314 0.688 117 HZ3 TRP 20 HZ3 TRP 20 1.567 9.605 3.828 118 HH2 TRP 20 HH TRP 20 2.909 11.453 2.962 119 H TYR 21 H TYR 21 -3.042 6.814 -3.163 120 HA TYR 21 HA TYR 21 -5.367 5.486 -1.971 121 1HB TYR 21 1HB TYR 21 -5.515 6.272 -4.315 122 2HB TYR 21 1HB TYR 21 -4.185 5.201 -4.745 123 HD1 TYR 21 HD1 TYR 21 -7.672 5.242 -3.472 124 HD2 TYR 21 HD2 TYR 21 -4.585 2.948 -5.293 125 HE1 TYR 21 HE1 TYR 21 -9.287 3.445 -3.928 126 HE2 TYR 21 HE2 TYR 21 -6.192 1.144 -5.748 127 HH TYR 21 HH TYR 21 -9.480 1.539 -5.630 128 H THR 22 H THR 22 -4.735 3.971 -0.553 129 HA THR 22 HA THR 22 -2.473 2.244 -1.127 130 HB THR 22 HB THR 22 -4.379 2.009 1.200 131 HG1 THR 22 HG1 THR 22 -2.500 3.948 0.631 132 1HG2 THR 22 1HG2 THR 22 -2.854 0.125 0.837 133 2HG2 THR 22 2HG2 THR 22 -2.445 1.005 2.313 134 3HG2 THR 22 3HG2 THR 22 -1.481 1.235 0.855 135 H GLY 23 H GLY 23 -2.983 0.884 -2.777 136 1HA GLY 23 2HA GLY 23 -5.566 -0.520 -2.681 137 2HA GLY 23 1HA GLY 23 -4.564 -0.327 -4.109 138 H TYR 24 H TYR 24 -5.578 -2.786 -3.411 139 HA TYR 24 HA TYR 24 -3.158 -4.260 -2.651 140 1HB TYR 24 1HB TYR 24 -4.627 -4.004 -0.663 141 2HB TYR 24 1HB TYR 24 -5.933 -4.769 -1.556 142 HD1 TYR 24 HD1 TYR 24 -2.638 -5.333 -0.001 143 HD2 TYR 24 HD2 TYR 24 -6.066 -7.137 -1.753 144 HE1 TYR 24 HE1 TYR 24 -1.919 -7.522 0.855 145 HE2 TYR 24 HE2 TYR 24 -5.357 -9.329 -0.900 146 HH TYR 24 HH TYR 24 -3.057 -9.709 1.472 147 H THR 25 H THR 25 -2.724 -5.515 -4.368 148 HA THR 25 HA THR 25 -4.971 -6.917 -5.655 149 HB THR 25 HB THR 25 -4.206 -5.177 -7.189 150 HG1 THR 25 HG1 THR 25 -4.815 -7.092 -8.203 151 1HG2 THR 25 1HG2 THR 25 -1.926 -5.174 -8.089 152 2HG2 THR 25 2HG2 THR 25 -1.487 -6.473 -6.981 153 3HG2 THR 25 3HG2 THR 25 -1.929 -4.886 -6.349 154 H THR 26 H THR 26 -4.678 -9.063 -6.078 155 HA THR 26 HA THR 26 -2.012 -10.205 -5.745 156 HB THR 26 HB THR 26 -4.371 -11.212 -4.144 157 HG1 THR 26 HG1 THR 26 -2.715 -9.228 -3.635 158 1HG2 THR 26 1HG2 THR 26 -2.714 -12.716 -3.115 159 2HG2 THR 26 2HG2 THR 26 -1.485 -12.113 -4.228 160 3HG2 THR 26 3HG2 THR 26 -2.871 -13.010 -4.845 161 H ASP 27 H ASP 27 -2.447 -10.370 -8.088 162 HA ASP 27 HA ASP 27 -3.382 -13.103 -8.511 163 1HB ASP 27 1HB ASP 27 -4.192 -12.477 -10.797 164 2HB ASP 27 1HB ASP 27 -5.154 -11.819 -9.480 165 H VAL 28 H VAL 28 -2.186 -14.289 -9.997 166 HA VAL 28 HA VAL 28 0.563 -13.727 -9.905 167 HB VAL 28 HB VAL 28 -0.373 -16.004 -10.041 168 1HG1 VAL 28 1HG1 VAL 28 -0.908 -15.334 -12.928 169 2HG1 VAL 28 2HG1 VAL 28 -2.117 -15.655 -11.682 170 3HG1 VAL 28 3HG1 VAL 28 -1.028 -16.941 -12.207 171 1HG2 VAL 28 1HG2 VAL 28 1.618 -15.305 -12.193 172 2HG2 VAL 28 2HG2 VAL 28 1.315 -16.936 -11.594 173 3HG2 VAL 28 3HG2 VAL 28 1.970 -15.708 -10.513 174 H ASP 29 H ASP 29 -1.832 -12.962 -12.295 175 HA ASP 29 HA ASP 29 -0.224 -12.680 -14.571 176 1HB ASP 29 1HB ASP 29 -2.738 -11.158 -13.853 177 2HB ASP 29 1HB ASP 29 -2.058 -11.329 -15.466 178 H ARG 30 H ARG 30 -0.876 -10.549 -11.895 179 HA ARG 30 HA ARG 30 -0.143 -8.075 -12.810 180 1HB ARG 30 1HB ARG 30 0.345 -9.391 -10.147 181 2HB ARG 30 1HB ARG 30 0.764 -7.711 -10.450 182 1HG ARG 30 1HG ARG 30 -1.981 -8.908 -10.691 183 2HG ARG 30 1HG ARG 30 -1.391 -7.920 -9.351 184 1HD ARG 30 1HD ARG 30 -1.003 -6.068 -10.896 185 2HD ARG 30 1HD ARG 30 -1.611 -7.050 -12.227 186 HE ARG 30 HE ARG 30 -3.485 -6.876 -10.074 187 1HH1 ARG 30 1HH1 ARG 30 -2.275 -5.124 -12.869 188 2HH1 ARG 30 2HH1 ARG 30 -3.760 -4.270 -13.125 189 1HH2 ARG 30 1HH2 ARG 30 -5.430 -5.754 -10.417 190 2HH2 ARG 30 2HH2 ARG 30 -5.559 -4.620 -11.735 191 H ARG 31 H ARG 31 2.073 -10.447 -11.357 192 HA ARG 31 HA ARG 31 4.214 -8.588 -11.596 193 1HB ARG 31 1HB ARG 31 3.979 -10.174 -9.697 194 2HB ARG 31 1HB ARG 31 4.322 -11.502 -10.796 195 1HG ARG 31 1HG ARG 31 6.537 -10.529 -11.244 196 2HG ARG 31 1HG ARG 31 6.186 -9.249 -10.079 197 1HD ARG 31 1HD ARG 31 5.830 -11.046 -8.365 198 2HD ARG 31 1HD ARG 31 6.434 -12.203 -9.549 199 HE ARG 31 HE ARG 31 8.078 -9.927 -8.658 200 1HH1 ARG 31 1HH1 ARG 31 7.648 -13.352 -9.239 201 2HH1 ARG 31 2HH1 ARG 31 9.230 -13.779 -8.659 202 1HH2 ARG 31 1HH2 ARG 31 10.176 -10.474 -7.932 203 2HH2 ARG 31 2HH2 ARG 31 10.685 -12.140 -7.958 204 H ILE 32 H ILE 32 3.419 -11.684 -13.152 205 HA ILE 32 HA ILE 32 5.781 -11.924 -14.639 206 HB ILE 32 HB ILE 32 4.358 -13.840 -14.350 207 1HG1 ILE 32 1HG1 ILE 32 4.430 -13.051 -17.269 208 2HG1 ILE 32 1HG1 ILE 32 5.777 -13.738 -16.368 209 1HG2 ILE 32 1HG2 ILE 32 2.299 -12.404 -16.017 210 2HG2 ILE 32 2HG2 ILE 32 2.189 -12.751 -14.291 211 3HG2 ILE 32 3HG2 ILE 32 2.192 -14.071 -15.460 212 1HD1 ILE 32 1HD1 ILE 32 3.148 -15.104 -16.905 213 2HD1 ILE 32 2HD1 ILE 32 4.521 -15.791 -16.034 214 3HD1 ILE 32 3HD1 ILE 32 4.666 -15.405 -17.750 215 H LYS 33 H LYS 33 2.640 -10.497 -15.523 216 HA LYS 33 HA LYS 33 3.310 -9.851 -18.172 217 1HB LYS 33 1HB LYS 33 1.009 -9.844 -17.030 218 2HB LYS 33 1HB LYS 33 1.425 -8.235 -16.467 219 1HG LYS 33 1HG LYS 33 1.503 -8.950 -19.375 220 2HG LYS 33 1HG LYS 33 0.013 -8.449 -18.582 221 1HD LYS 33 1HD LYS 33 1.052 -6.335 -17.944 222 2HD LYS 33 1HD LYS 33 2.563 -6.845 -18.704 223 1HE LYS 33 1HE LYS 33 1.291 -5.336 -20.150 224 2HE LYS 33 1HE LYS 33 1.462 -6.934 -20.867 225 1HZ LYS 33 1HZ LYS 33 -0.786 -5.997 -21.088 226 2HZ LYS 33 2HZ LYS 33 -0.944 -6.008 -19.397 227 3HZ LYS 33 3HZ LYS 33 -0.774 -7.467 -20.243 228 H LYS 34 H LYS 34 3.626 -8.011 -15.157 229 HA LYS 34 HA LYS 34 4.550 -5.621 -16.297 230 1HB LYS 34 1HB LYS 34 3.790 -5.912 -13.923 231 2HB LYS 34 1HB LYS 34 5.329 -6.693 -13.584 232 1HG LYS 34 1HG LYS 34 6.519 -4.668 -14.210 233 2HG LYS 34 1HG LYS 34 4.991 -3.879 -14.598 234 1HD LYS 34 1HD LYS 34 4.298 -4.212 -12.223 235 2HD LYS 34 1HD LYS 34 5.924 -4.814 -11.887 236 1HE LYS 34 1HE LYS 34 5.820 -2.490 -11.284 237 2HE LYS 34 1HE LYS 34 6.836 -2.661 -12.714 238 1HZ LYS 34 1HZ LYS 34 4.073 -1.606 -12.543 239 2HZ LYS 34 2HZ LYS 34 4.743 -2.102 -14.014 240 3HZ LYS 34 3HZ LYS 34 5.457 -0.835 -13.150 241 H HIS 35 H HIS 35 6.241 -8.591 -15.466 242 HA HIS 35 HA HIS 35 8.847 -7.457 -15.939 243 1HB HIS 35 1HB HIS 35 7.880 -10.291 -15.560 244 2HB HIS 35 1HB HIS 35 9.553 -9.919 -15.965 245 HD1 HIS 35 HD1 HIS 35 8.255 -11.137 -13.211 246 HD2 HIS 35 HD2 HIS 35 9.897 -7.372 -13.870 247 HE1 HIS 35 HE1 HIS 35 8.962 -10.297 -10.952 248 HE2 HIS 35 HE2 HIS 35 10.105 -8.098 -11.392 249 H ALA 36 H ALA 36 6.532 -9.388 -17.763 250 HA ALA 36 HA ALA 36 8.118 -9.922 -20.006 251 1HB ALA 36 1HB ALA 36 5.983 -11.035 -19.555 252 2HB ALA 36 2HB ALA 36 6.038 -10.349 -21.180 253 3HB ALA 36 3HB ALA 36 5.131 -9.528 -19.908 254 H SER 37 H SER 37 5.804 -7.270 -19.448 255 HA SER 37 HA SER 37 6.539 -5.986 -21.932 256 1HB SER 37 1HB SER 37 4.789 -5.000 -19.669 257 2HB SER 37 1HB SER 37 4.887 -4.300 -21.285 258 HG SER 37 HG SER 37 4.357 -6.984 -21.326 259 H GLY 38 H GLY 38 7.583 -5.902 -18.674 260 1HA GLY 38 2HA GLY 38 8.366 -3.130 -18.672 261 2HA GLY 38 1HA GLY 38 8.635 -4.292 -17.386 262 H LYS 39 H LYS 39 9.726 -5.621 -20.234 263 HA LYS 39 HA LYS 39 12.462 -5.396 -19.498 264 1HB LYS 39 1HB LYS 39 11.234 -6.299 -22.112 265 2HB LYS 39 1HB LYS 39 12.916 -6.519 -21.648 266 1HG LYS 39 1HG LYS 39 12.247 -7.942 -19.804 267 2HG LYS 39 1HG LYS 39 10.547 -7.683 -20.201 268 1HD LYS 39 1HD LYS 39 11.296 -9.826 -21.068 269 2HD LYS 39 1HD LYS 39 10.921 -8.730 -22.397 270 1HE LYS 39 1HE LYS 39 13.301 -8.226 -22.641 271 2HE LYS 39 1HE LYS 39 13.671 -9.335 -21.323 272 1HZ LYS 39 1HZ LYS 39 12.362 -10.102 -23.878 273 2HZ LYS 39 2HZ LYS 39 12.813 -11.157 -22.628 274 3HZ LYS 39 3HZ LYS 39 14.002 -10.334 -23.517 275 H GLY 40 H GLY 40 13.443 -3.486 -19.552 276 1HA GLY 40 2HA GLY 40 14.586 -1.828 -20.879 277 2HA GLY 40 1HA GLY 40 13.245 -1.880 -22.021 278 H ALA 41 H ALA 41 11.058 -1.567 -20.642 279 HA ALA 41 HA ALA 41 9.673 -0.163 -19.538 280 1HB ALA 41 1HB ALA 41 10.944 -0.886 -17.575 281 2HB ALA 41 2HB ALA 41 10.410 0.789 -17.424 282 3HB ALA 41 3HB ALA 41 12.087 0.432 -17.832 283 H LYS 42 H LYS 42 11.106 0.825 -21.860 284 HA LYS 42 HA LYS 42 11.866 3.532 -21.432 285 1HB LYS 42 1HB LYS 42 11.067 1.990 -23.894 286 2HB LYS 42 1HB LYS 42 11.431 3.709 -23.956 287 1HG LYS 42 1HG LYS 42 13.299 1.505 -23.106 288 2HG LYS 42 1HG LYS 42 13.364 2.427 -24.609 289 1HD LYS 42 1HD LYS 42 13.522 4.487 -23.021 290 2HD LYS 42 1HD LYS 42 14.026 3.293 -21.823 291 1HE LYS 42 1HE LYS 42 16.008 4.145 -22.806 292 2HE LYS 42 1HE LYS 42 15.766 2.534 -23.478 293 1HZ LYS 42 1HZ LYS 42 15.047 5.091 -24.813 294 2HZ LYS 42 2HZ LYS 42 14.819 3.543 -25.468 295 3HZ LYS 42 3HZ LYS 42 16.392 4.124 -25.190 296 H TYR 43 H TYR 43 10.576 5.071 -20.769 297 HA TYR 43 HA TYR 43 7.823 5.140 -21.805 298 1HB TYR 43 1HB TYR 43 8.715 4.965 -19.025 299 2HB TYR 43 1HB TYR 43 7.610 6.305 -19.323 300 HD1 TYR 43 HD1 TYR 43 7.859 2.841 -18.646 301 HD2 TYR 43 HD2 TYR 43 5.443 5.738 -20.623 302 HE1 TYR 43 HE1 TYR 43 5.954 1.292 -18.566 303 HE2 TYR 43 HE2 TYR 43 3.524 4.189 -20.547 304 HH TYR 43 HH TYR 43 3.228 1.635 -20.412 305 H THR 44 H THR 44 6.856 7.336 -20.869 306 HA THR 44 HA THR 44 8.629 9.484 -21.793 307 HB THR 44 HB THR 44 5.628 9.632 -21.467 308 HG1 THR 44 HG1 THR 44 5.970 9.287 -23.968 309 1HG2 THR 44 1HG2 THR 44 6.823 11.751 -21.756 310 2HG2 THR 44 2HG2 THR 44 5.815 11.388 -23.156 311 3HG2 THR 44 3HG2 THR 44 7.556 11.138 -23.237 312 H ARG 45 H ARG 45 7.944 8.052 -19.049 313 HA ARG 45 HA ARG 45 7.959 8.556 -16.852 314 1HB ARG 45 1HB ARG 45 8.701 11.262 -17.926 315 2HB ARG 45 1HB ARG 45 8.475 10.981 -16.205 316 1HG ARG 45 1HG ARG 45 10.244 9.387 -16.156 317 2HG ARG 45 1HG ARG 45 10.375 9.402 -17.913 318 1HD ARG 45 1HD ARG 45 11.258 11.592 -17.928 319 2HD ARG 45 1HD ARG 45 10.807 11.862 -16.244 320 HE ARG 45 HE ARG 45 12.698 10.742 -15.564 321 1HH1 ARG 45 1HH1 ARG 45 12.296 10.331 -19.035 322 2HH1 ARG 45 2HH1 ARG 45 13.851 9.583 -19.235 323 1HH2 ARG 45 1HH2 ARG 45 14.725 9.794 -15.842 324 2HH2 ARG 45 2HH2 ARG 45 15.235 9.265 -17.417 325 H GLY 46 H GLY 46 6.821 10.067 -15.172 326 1HA GLY 46 2HA GLY 46 4.120 10.616 -16.213 327 2HA GLY 46 1HA GLY 46 4.357 9.630 -14.776 328 H ARG 47 H ARG 47 3.344 12.511 -15.665 329 HA ARG 47 HA ARG 47 4.482 13.865 -13.294 330 1HB ARG 47 1HB ARG 47 3.183 15.200 -15.679 331 2HB ARG 47 1HB ARG 47 4.013 15.992 -14.350 332 1HG ARG 47 1HG ARG 47 5.579 16.096 -16.027 333 2HG ARG 47 1HG ARG 47 6.072 14.633 -15.172 334 1HD ARG 47 1HD ARG 47 4.830 13.285 -16.818 335 2HD ARG 47 1HD ARG 47 4.390 14.761 -17.678 336 HE ARG 47 HE ARG 47 7.179 13.832 -17.353 337 1HH1 ARG 47 1HH1 ARG 47 4.619 15.318 -19.231 338 2HH1 ARG 47 2HH1 ARG 47 5.614 15.548 -20.642 339 1HH2 ARG 47 1HH2 ARG 47 8.485 14.142 -19.199 340 2HH2 ARG 47 2HH2 ARG 47 7.806 14.876 -20.618 341 H GLY 48 H GLY 48 1.894 12.245 -14.434 342 1HA GLY 48 2HA GLY 48 0.169 12.536 -12.370 343 2HA GLY 48 1HA GLY 48 -0.234 13.897 -13.412 344 HA PRO 49 HA PRO 49 -2.159 13.250 -12.438 345 1HB PRO 49 1HB PRO 49 -4.581 11.825 -12.245 346 2HB PRO 49 1HB PRO 49 -4.321 13.359 -13.074 347 1HG PRO 49 1HG PRO 49 -4.981 10.923 -14.277 348 2HG PRO 49 1HG PRO 49 -4.392 12.376 -15.099 349 1HD PRO 49 1HD PRO 49 -2.902 9.920 -14.290 350 2HD PRO 49 1HD PRO 49 -2.664 10.977 -15.701 351 H PHE 50 H PHE 50 -0.612 10.654 -12.287 352 HA PHE 50 HA PHE 50 -1.284 10.113 -9.508 353 1HB PHE 50 1HB PHE 50 -1.364 7.742 -9.746 354 2HB PHE 50 1HB PHE 50 -2.438 8.383 -10.983 355 HD1 PHE 50 HD1 PHE 50 -1.390 8.691 -13.352 356 HD2 PHE 50 HD2 PHE 50 0.241 6.198 -10.310 357 HE1 PHE 50 HE1 PHE 50 -0.157 7.420 -15.058 358 HE2 PHE 50 HE2 PHE 50 1.482 4.927 -12.013 359 HZ PHE 50 HZ PHE 50 1.284 5.540 -14.392 360 H ARG 51 H ARG 51 0.489 9.328 -8.311 361 HA ARG 51 HA ARG 51 2.985 8.875 -9.756 362 1HB ARG 51 1HB ARG 51 4.220 10.236 -8.015 363 2HB ARG 51 1HB ARG 51 3.270 11.159 -9.173 364 1HG ARG 51 1HG ARG 51 1.491 11.401 -7.517 365 2HG ARG 51 1HG ARG 51 2.451 10.482 -6.359 366 1HD ARG 51 1HD ARG 51 3.435 13.012 -7.652 367 2HD ARG 51 1HD ARG 51 2.523 13.005 -6.144 368 HE ARG 51 HE ARG 51 5.051 11.520 -6.395 369 1HH1 ARG 51 1HH1 ARG 51 3.003 13.840 -4.767 370 2HH1 ARG 51 2HH1 ARG 51 4.159 14.184 -3.516 371 1HH2 ARG 51 1HH2 ARG 51 6.586 11.953 -4.719 372 2HH2 ARG 51 2HH2 ARG 51 6.191 13.100 -3.485 373 H LEU 52 H LEU 52 4.064 7.187 -9.016 374 HA LEU 52 HA LEU 52 2.952 5.627 -6.900 375 1HB LEU 52 1HB LEU 52 3.883 4.520 -8.827 376 2HB LEU 52 1HB LEU 52 5.440 5.289 -8.573 377 HG LEU 52 HG LEU 52 5.723 4.013 -6.484 378 1HD1 LEU 52 1HD1 LEU 52 3.164 2.634 -7.284 379 2HD1 LEU 52 2HD1 LEU 52 3.339 3.761 -5.939 380 3HD1 LEU 52 3HD1 LEU 52 4.198 2.220 -5.916 381 1HD2 LEU 52 1HD2 LEU 52 6.634 3.115 -8.549 382 2HD2 LEU 52 2HD2 LEU 52 5.090 2.342 -8.914 383 3HD2 LEU 52 3HD2 LEU 52 6.036 1.807 -7.525 384 H VAL 53 H VAL 53 3.418 5.735 -4.819 385 HA VAL 53 HA VAL 53 5.724 7.288 -3.958 386 HB VAL 53 HB VAL 53 3.639 5.926 -2.250 387 1HG1 VAL 53 1HG1 VAL 53 5.679 6.414 -1.041 388 2HG1 VAL 53 2HG1 VAL 53 4.389 7.496 -0.515 389 3HG1 VAL 53 3HG1 VAL 53 5.643 8.084 -1.609 390 1HG2 VAL 53 1HG2 VAL 53 2.612 8.160 -2.042 391 2HG2 VAL 53 2HG2 VAL 53 2.549 7.531 -3.688 392 3HG2 VAL 53 3HG2 VAL 53 3.734 8.766 -3.261 393 H ALA 54 H ALA 54 4.350 4.056 -3.306 394 HA ALA 54 HA ALA 54 6.942 2.843 -3.565 395 1HB ALA 54 1HB ALA 54 5.609 2.794 -0.856 396 2HB ALA 54 2HB ALA 54 7.081 3.677 -1.266 397 3HB ALA 54 3HB ALA 54 7.064 1.913 -1.320 398 H THR 55 H THR 55 6.859 0.554 -3.611 399 HA THR 55 HA THR 55 4.180 -0.652 -3.573 400 HB THR 55 HB THR 55 5.304 -2.104 -5.544 401 HG1 THR 55 HG1 THR 55 6.875 0.046 -5.379 402 1HG2 THR 55 1HG2 THR 55 3.759 0.465 -5.845 403 2HG2 THR 55 2HG2 THR 55 3.105 -1.164 -5.688 404 3HG2 THR 55 3HG2 THR 55 3.999 -0.711 -7.136 405 H TRP 56 H TRP 56 4.111 -2.465 -2.412 406 HA TRP 56 HA TRP 56 6.655 -3.822 -1.778 407 1HB TRP 56 1HB TRP 56 4.143 -3.621 -0.098 408 2HB TRP 56 1HB TRP 56 5.608 -4.489 0.350 409 HD1 TRP 56 HD TRP 56 7.720 -3.025 1.097 410 HE1 TRP 56 HE1 TRP 56 7.908 -0.610 1.956 411 HE3 TRP 56 HE3 TRP 56 3.132 -1.286 -0.347 412 HZ2 TRP 56 HZ2 TRP 56 6.330 1.721 2.011 413 HZ3 TRP 56 HZ3 TRP 56 2.552 1.052 0.151 414 HH2 TRP 56 HH TRP 56 4.118 2.523 1.307 415 H ALA 57 H ALA 57 6.814 -5.931 -2.300 416 HA ALA 57 HA ALA 57 4.351 -7.274 -3.212 417 1HB ALA 57 1HB ALA 57 5.722 -8.559 -4.744 418 2HB ALA 57 2HB ALA 57 7.181 -7.769 -4.138 419 3HB ALA 57 3HB ALA 57 5.965 -6.831 -5.007 420 H PHE 58 H PHE 58 3.679 -8.617 -1.677 421 HA PHE 58 HA PHE 58 5.694 -10.274 -0.293 422 1HB PHE 58 1HB PHE 58 2.862 -9.736 0.631 423 2HB PHE 58 1HB PHE 58 4.140 -10.538 1.529 424 HD1 PHE 58 HD1 PHE 58 2.637 -7.389 0.655 425 HD2 PHE 58 HD2 PHE 58 6.086 -9.224 2.343 426 HE1 PHE 58 HE1 PHE 58 3.274 -5.248 1.678 427 HE2 PHE 58 HE2 PHE 58 6.730 -7.082 3.365 428 HZ PHE 58 HZ PHE 58 5.323 -5.089 3.033 429 HA PRO 59 HA PRO 59 3.629 -13.622 -2.478 430 1HB PRO 59 1HB PRO 59 5.248 -15.613 -1.646 431 2HB PRO 59 1HB PRO 59 5.741 -14.461 -2.892 432 1HG PRO 59 1HG PRO 59 6.453 -14.537 0.009 433 2HG PRO 59 1HG PRO 59 7.474 -14.148 -1.387 434 1HD PRO 59 1HD PRO 59 6.341 -12.270 0.267 435 2HD PRO 59 1HD PRO 59 6.797 -11.965 -1.420 436 H SER 60 H SER 60 4.028 -13.080 0.859 437 HA SER 60 HA SER 60 2.695 -15.523 1.693 438 1HB SER 60 1HB SER 60 3.612 -13.221 3.425 439 2HB SER 60 1HB SER 60 3.280 -14.881 3.925 440 HG SER 60 HG SER 60 5.559 -14.303 3.628 441 H LYS 61 H LYS 61 0.588 -15.664 2.012 442 HA LYS 61 HA LYS 61 -1.218 -13.571 1.523 443 1HB LYS 61 1HB LYS 61 -1.838 -15.898 1.223 444 2HB LYS 61 1HB LYS 61 -1.612 -16.215 2.934 445 1HG LYS 61 1HG LYS 61 -3.511 -14.933 3.517 446 2HG LYS 61 1HG LYS 61 -3.642 -14.262 1.892 447 1HD LYS 61 1HD LYS 61 -5.326 -15.970 2.219 448 2HD LYS 61 1HD LYS 61 -4.143 -16.514 1.029 449 1HE LYS 61 1HE LYS 61 -4.568 -18.361 2.440 450 2HE LYS 61 1HE LYS 61 -2.990 -17.737 2.910 451 1HZ LYS 61 1HZ LYS 61 -4.311 -18.255 4.840 452 2HZ LYS 61 2HZ LYS 61 -5.561 -17.241 4.313 453 3HZ LYS 61 3HZ LYS 61 -4.066 -16.579 4.761 454 H GLU 62 H GLU 62 -0.202 -15.092 4.555 455 HA GLU 62 HA GLU 62 -1.769 -13.672 6.343 456 1HB GLU 62 1HB GLU 62 1.031 -14.769 6.674 457 2HB GLU 62 1HB GLU 62 0.030 -14.204 7.999 458 1HG GLU 62 1HG GLU 62 -0.005 -16.620 7.857 459 2HG GLU 62 1HG GLU 62 -1.601 -15.955 7.531 460 H GLU 63 H GLU 63 1.483 -12.946 5.163 461 HA GLU 63 HA GLU 63 1.969 -10.674 6.702 462 1HB GLU 63 1HB GLU 63 3.028 -11.480 3.993 463 2HB GLU 63 1HB GLU 63 3.654 -10.124 4.924 464 1HG GLU 63 1HG GLU 63 3.630 -12.995 5.826 465 2HG GLU 63 1HG GLU 63 5.023 -12.132 5.176 466 H ALA 64 H ALA 64 0.882 -10.846 3.308 467 HA ALA 64 HA ALA 64 0.736 -8.036 3.035 468 1HB ALA 64 1HB ALA 64 -0.283 -8.473 0.893 469 2HB ALA 64 2HB ALA 64 -0.579 -10.150 1.350 470 3HB ALA 64 3HB ALA 64 1.075 -9.565 1.161 471 H MET 65 H MET 65 -1.747 -10.482 3.724 472 HA MET 65 HA MET 65 -3.961 -8.750 3.461 473 1HB MET 65 1HB MET 65 -4.186 -11.193 3.480 474 2HB MET 65 1HB MET 65 -3.661 -11.241 5.155 475 1HG MET 65 1HG MET 65 -5.637 -10.150 5.891 476 2HG MET 65 1HG MET 65 -6.119 -9.778 4.238 477 1HE MET 65 1HE MET 65 -4.543 -13.172 5.403 478 2HE MET 65 2HE MET 65 -5.973 -14.101 5.854 479 3HE MET 65 3HE MET 65 -5.490 -12.707 6.820 480 H ARG 66 H ARG 66 -1.936 -9.634 6.212 481 HA ARG 66 HA ARG 66 -3.279 -8.020 8.123 482 1HB ARG 66 1HB ARG 66 -1.880 -9.798 8.898 483 2HB ARG 66 1HB ARG 66 -0.495 -9.183 8.013 484 1HG ARG 66 1HG ARG 66 -0.322 -7.298 9.484 485 2HG ARG 66 1HG ARG 66 -1.811 -7.758 10.306 486 1HD ARG 66 1HD ARG 66 0.163 -8.401 11.602 487 2HD ARG 66 1HD ARG 66 -0.774 -9.805 11.097 488 HE ARG 66 HE ARG 66 0.982 -9.909 9.219 489 1HH1 ARG 66 1HH1 ARG 66 1.637 -8.707 12.442 490 2HH1 ARG 66 2HH1 ARG 66 3.253 -9.360 12.491 491 1HH2 ARG 66 1HH2 ARG 66 3.130 -10.729 9.268 492 2HH2 ARG 66 2HH2 ARG 66 4.107 -10.459 10.684 493 H TRP 67 H TRP 67 -0.472 -7.539 6.052 494 HA TRP 67 HA TRP 67 0.451 -5.094 6.969 495 1HB TRP 67 1HB TRP 67 1.245 -6.794 5.056 496 2HB TRP 67 1HB TRP 67 0.474 -5.588 4.032 497 HD1 TRP 67 HD TRP 67 3.507 -6.167 6.199 498 HE1 TRP 67 HE1 TRP 67 5.168 -4.221 5.900 499 HE3 TRP 67 HE3 TRP 67 0.543 -3.021 3.491 500 HZ2 TRP 67 HZ2 TRP 67 5.199 -1.678 4.657 501 HZ3 TRP 67 HZ3 TRP 67 1.459 -0.852 2.782 502 HH2 TRP 67 HH TRP 67 3.736 -0.204 3.351 503 H GLU 68 H GLU 68 -1.914 -5.746 4.396 504 HA GLU 68 HA GLU 68 -2.492 -3.106 3.696 505 1HB GLU 68 1HB GLU 68 -3.273 -5.127 2.460 506 2HB GLU 68 1HB GLU 68 -4.434 -5.422 3.743 507 1HG GLU 68 1HG GLU 68 -5.240 -3.023 3.263 508 2HG GLU 68 1HG GLU 68 -4.372 -3.202 1.742 509 H TYR 69 H TYR 69 -4.121 -5.258 5.968 510 HA TYR 69 HA TYR 69 -6.156 -3.530 6.753 511 1HB TYR 69 1HB TYR 69 -5.986 -6.005 7.209 512 2HB TYR 69 1HB TYR 69 -4.877 -5.618 8.519 513 HD1 TYR 69 HD1 TYR 69 -8.112 -4.088 7.412 514 HD2 TYR 69 HD2 TYR 69 -5.932 -5.981 10.538 515 HE1 TYR 69 HE1 TYR 69 -10.025 -3.778 8.929 516 HE2 TYR 69 HE2 TYR 69 -7.838 -5.675 12.062 517 HH TYR 69 HH TYR 69 -10.923 -4.852 11.006 518 H GLU 70 H GLU 70 -2.830 -3.723 7.872 519 HA GLU 70 HA GLU 70 -3.183 -2.065 10.158 520 1HB GLU 70 1HB GLU 70 -0.676 -2.583 8.543 521 2HB GLU 70 1HB GLU 70 -0.730 -1.825 10.130 522 1HG GLU 70 1HG GLU 70 -1.746 -3.908 11.019 523 2HG GLU 70 1HG GLU 70 -1.498 -4.649 9.439 524 H VAL 71 H VAL 71 -1.628 -1.309 7.010 525 HA VAL 71 HA VAL 71 -1.565 1.463 7.377 526 HB VAL 71 HB VAL 71 -1.774 -0.005 4.741 527 1HG1 VAL 71 1HG1 VAL 71 -0.560 1.918 3.828 528 2HG1 VAL 71 2HG1 VAL 71 -0.600 2.695 5.410 529 3HG1 VAL 71 3HG1 VAL 71 -2.101 2.409 4.530 530 1HG2 VAL 71 1HG2 VAL 71 0.648 0.675 6.402 531 2HG2 VAL 71 2HG2 VAL 71 0.686 0.025 4.763 532 3HG2 VAL 71 3HG2 VAL 71 0.016 -0.939 6.077 533 H LYS 72 H LYS 72 -4.144 -0.637 6.430 534 HA LYS 72 HA LYS 72 -5.924 1.217 5.286 535 1HB LYS 72 1HB LYS 72 -6.120 -1.320 5.354 536 2HB LYS 72 1HB LYS 72 -6.698 -1.142 7.003 537 1HG LYS 72 1HG LYS 72 -8.658 -1.294 5.816 538 2HG LYS 72 1HG LYS 72 -8.449 0.452 5.952 539 1HD LYS 72 1HD LYS 72 -9.089 -0.114 3.689 540 2HD LYS 72 1HD LYS 72 -7.424 0.466 3.699 541 1HE LYS 72 1HE LYS 72 -6.599 -1.814 3.595 542 2HE LYS 72 1HE LYS 72 -8.243 -2.438 3.702 543 1HZ LYS 72 1HZ LYS 72 -8.747 -1.445 1.572 544 2HZ LYS 72 2HZ LYS 72 -7.394 -2.463 1.429 545 3HZ LYS 72 3HZ LYS 72 -7.190 -0.781 1.471 546 H HIS 73 H HIS 73 -5.440 0.166 8.644 547 HA HIS 73 HA HIS 73 -7.417 2.089 9.574 548 1HB HIS 73 1HB HIS 73 -6.088 -0.286 10.728 549 2HB HIS 73 1HB HIS 73 -6.472 1.012 11.857 550 HD1 HIS 73 HD1 HIS 73 -7.862 -1.892 11.600 551 HD2 HIS 73 HD2 HIS 73 -9.396 1.780 10.388 552 HE1 HIS 73 HE1 HIS 73 -10.365 -2.170 11.577 553 HE2 HIS 73 HE2 HIS 73 -11.268 0.113 11.013 554 H LEU 74 H LEU 74 -4.287 2.334 8.745 555 HA LEU 74 HA LEU 74 -3.352 3.935 10.933 556 1HB LEU 74 1HB LEU 74 -2.389 3.687 8.083 557 2HB LEU 74 1HB LEU 74 -1.592 4.668 9.300 558 HG LEU 74 HG LEU 74 -1.879 1.667 9.282 559 1HD1 LEU 74 1HD1 LEU 74 0.528 3.476 9.182 560 2HD1 LEU 74 2HD1 LEU 74 -0.120 2.527 7.844 561 3HD1 LEU 74 3HD1 LEU 74 0.569 1.714 9.251 562 1HD2 LEU 74 1HD2 LEU 74 -0.826 3.490 11.431 563 2HD2 LEU 74 2HD2 LEU 74 -0.554 1.749 11.386 564 3HD2 LEU 74 3HD2 LEU 74 -2.193 2.383 11.546 565 H SER 75 H SER 75 -2.497 6.286 10.002 566 HA SER 75 HA SER 75 -4.737 7.600 8.694 567 1HB SER 75 1HB SER 75 -5.265 7.449 11.167 568 2HB SER 75 1HB SER 75 -3.857 8.471 11.460 569 HG SER 75 HG SER 75 -6.330 9.186 10.750 570 H ARG 76 H ARG 76 -4.162 10.157 8.984 571 HA ARG 76 HA ARG 76 -2.374 10.563 6.970 572 1HB ARG 76 1HB ARG 76 -4.087 12.149 7.987 573 2HB ARG 76 1HB ARG 76 -2.856 12.583 9.161 574 1HG ARG 76 1HG ARG 76 -2.329 12.813 6.227 575 2HG ARG 76 1HG ARG 76 -3.194 14.075 7.102 576 1HD ARG 76 1HD ARG 76 -1.293 14.311 8.627 577 2HD ARG 76 1HD ARG 76 -0.430 13.054 7.743 578 HE ARG 76 HE ARG 76 -1.282 15.262 6.106 579 1HH1 ARG 76 1HH1 ARG 76 1.222 14.032 8.206 580 2HH1 ARG 76 2HH1 ARG 76 2.494 14.936 7.444 581 1HH2 ARG 76 1HH2 ARG 76 0.372 16.540 5.156 582 2HH2 ARG 76 2HH2 ARG 76 1.997 16.419 5.763 583 H ARG 77 H ARG 77 -1.627 11.076 10.438 584 HA ARG 77 HA ARG 77 1.028 11.891 10.042 585 1HB ARG 77 1HB ARG 77 -0.294 12.231 12.118 586 2HB ARG 77 1HB ARG 77 -0.119 10.520 12.475 587 1HG ARG 77 1HG ARG 77 2.227 10.735 12.771 588 2HG ARG 77 1HG ARG 77 2.215 12.379 12.131 589 1HD ARG 77 1HD ARG 77 0.960 11.428 14.700 590 2HD ARG 77 1HD ARG 77 2.384 12.456 14.535 591 HE ARG 77 HE ARG 77 -0.162 13.397 13.436 592 1HH1 ARG 77 1HH1 ARG 77 2.427 13.730 15.760 593 2HH1 ARG 77 2HH1 ARG 77 1.845 15.247 16.373 594 1HH2 ARG 77 1HH2 ARG 77 -0.908 15.404 14.220 595 2HH2 ARG 77 2HH2 ARG 77 -0.050 16.195 15.510 596 H LYS 78 H LYS 78 -0.288 8.679 10.761 597 HA LYS 78 HA LYS 78 2.292 7.440 10.915 598 1HB LYS 78 1HB LYS 78 -0.000 6.697 11.939 599 2HB LYS 78 1HB LYS 78 -0.244 5.930 10.377 600 1HG LYS 78 1HG LYS 78 0.637 4.328 11.929 601 2HG LYS 78 1HG LYS 78 1.852 4.675 10.699 602 1HD LYS 78 1HD LYS 78 2.991 6.188 12.224 603 2HD LYS 78 1HD LYS 78 1.745 5.915 13.444 604 1HE LYS 78 1HE LYS 78 2.360 3.554 13.541 605 2HE LYS 78 1HE LYS 78 3.595 3.821 12.314 606 1HZ LYS 78 1HZ LYS 78 4.667 5.397 13.862 607 2HZ LYS 78 2HZ LYS 78 4.617 3.813 14.458 608 3HZ LYS 78 3HZ LYS 78 3.532 4.977 15.051 609 H LYS 79 H LYS 79 -0.112 7.977 8.485 610 HA LYS 79 HA LYS 79 0.887 6.180 6.529 611 1HB LYS 79 1HB LYS 79 -1.433 7.216 6.701 612 2HB LYS 79 1HB LYS 79 -0.724 8.686 6.057 613 1HG LYS 79 1HG LYS 79 -0.208 7.613 3.991 614 2HG LYS 79 1HG LYS 79 -0.665 6.033 4.640 615 1HD LYS 79 1HD LYS 79 -2.571 8.361 4.420 616 2HD LYS 79 1HD LYS 79 -2.397 7.132 3.173 617 1HE LYS 79 1HE LYS 79 -3.175 6.605 6.041 618 2HE LYS 79 1HE LYS 79 -4.301 6.703 4.687 619 1HZ LYS 79 1HZ LYS 79 -2.109 4.713 4.954 620 2HZ LYS 79 2HZ LYS 79 -3.222 4.793 3.685 621 3HZ LYS 79 3HZ LYS 79 -3.749 4.407 5.246 622 H GLU 80 H GLU 80 1.526 9.535 7.369 623 HA GLU 80 HA GLU 80 3.257 10.088 5.186 624 1HB GLU 80 1HB GLU 80 2.295 11.865 6.623 625 2HB GLU 80 1HB GLU 80 3.265 11.283 7.971 626 1HG GLU 80 1HG GLU 80 5.296 11.727 6.542 627 2HG GLU 80 1HG GLU 80 4.217 12.569 5.431 628 H GLN 81 H GLN 81 3.742 8.828 8.449 629 HA GLN 81 HA GLN 81 6.516 8.626 8.492 630 1HB GLN 81 1HB GLN 81 5.037 8.165 10.437 631 2HB GLN 81 1HB GLN 81 4.538 6.660 9.673 632 1HG GLN 81 1HG GLN 81 7.045 6.087 9.660 633 2HG GLN 81 1HG GLN 81 7.195 7.387 10.841 634 1HE2 GLN 81 1HE2 GLN 81 6.019 4.202 10.216 635 2HE2 GLN 81 2HE2 GLN 81 5.640 3.796 11.852 636 H LEU 82 H LEU 82 4.089 6.536 7.078 637 HA LEU 82 HA LEU 82 5.594 4.304 6.397 638 1HB LEU 82 1HB LEU 82 3.085 4.689 6.188 639 2HB LEU 82 1HB LEU 82 3.426 5.530 4.691 640 HG LEU 82 HG LEU 82 4.603 3.307 4.000 641 1HD1 LEU 82 1HD1 LEU 82 4.474 2.273 6.225 642 2HD1 LEU 82 2HD1 LEU 82 3.625 1.323 5.006 643 3HD1 LEU 82 3HD1 LEU 82 2.711 2.318 6.137 644 1HD2 LEU 82 1HD2 LEU 82 1.598 3.498 4.212 645 2HD2 LEU 82 2HD2 LEU 82 2.502 2.486 3.087 646 3HD2 LEU 82 3HD2 LEU 82 2.588 4.243 2.959 647 H VAL 83 H VAL 83 5.263 7.418 4.793 648 HA VAL 83 HA VAL 83 6.914 6.632 2.546 649 HB VAL 83 HB VAL 83 5.801 9.344 3.286 650 1HG1 VAL 83 1HG1 VAL 83 6.981 8.355 0.689 651 2HG1 VAL 83 2HG1 VAL 83 7.720 9.515 1.789 652 3HG1 VAL 83 3HG1 VAL 83 6.229 9.930 0.946 653 1HG2 VAL 83 1HG2 VAL 83 4.771 7.213 1.424 654 2HG2 VAL 83 2HG2 VAL 83 4.121 8.848 1.539 655 3HG2 VAL 83 3HG2 VAL 83 4.026 7.761 2.924 656 H SER 84 H SER 84 7.180 8.621 5.448 657 HA SER 84 HA SER 84 9.633 9.825 4.960 658 1HB SER 84 1HB SER 84 8.512 8.893 7.615 659 2HB SER 84 1HB SER 84 9.809 10.072 7.404 660 HG SER 84 HG SER 84 7.735 11.052 7.710 661 H LEU 85 H LEU 85 8.911 6.606 6.208 662 HA LEU 85 HA LEU 85 11.575 5.928 6.890 663 1HB LEU 85 1HB LEU 85 9.023 4.481 6.569 664 2HB LEU 85 1HB LEU 85 10.472 3.518 6.368 665 HG LEU 85 HG LEU 85 11.233 4.164 8.604 666 1HD1 LEU 85 1HD1 LEU 85 9.749 5.371 10.124 667 2HD1 LEU 85 2HD1 LEU 85 8.614 5.643 8.804 668 3HD1 LEU 85 3HD1 LEU 85 10.219 6.369 8.750 669 1HD2 LEU 85 1HD2 LEU 85 9.918 2.149 8.385 670 2HD2 LEU 85 2HD2 LEU 85 8.424 3.076 8.521 671 3HD2 LEU 85 3HD2 LEU 85 9.520 2.963 9.899 672 H LYS 86 H LYS 86 9.819 5.907 3.865 673 HA LYS 86 HA LYS 86 11.756 4.310 2.472 674 1HB LYS 86 1HB LYS 86 9.469 4.463 1.628 675 2HB LYS 86 1HB LYS 86 9.642 6.202 1.416 676 1HG LYS 86 1HG LYS 86 11.383 5.822 -0.260 677 2HG LYS 86 1HG LYS 86 11.193 4.080 -0.054 678 1HD LYS 86 1HD LYS 86 8.917 4.198 -0.855 679 2HD LYS 86 1HD LYS 86 9.017 5.958 -0.956 680 1HE LYS 86 1HE LYS 86 9.302 4.902 -3.152 681 2HE LYS 86 1HE LYS 86 10.746 5.783 -2.656 682 1HZ LYS 86 1HZ LYS 86 10.365 2.844 -2.426 683 2HZ LYS 86 2HZ LYS 86 11.761 3.702 -1.994 684 3HZ LYS 86 3HZ LYS 86 11.284 3.625 -3.620 685 H GLY 87 H GLY 87 11.317 7.684 3.197 686 1HA GLY 87 2HA GLY 87 13.841 8.576 2.991 687 2HA GLY 87 1HA GLY 87 13.331 8.562 1.308 688 H GLY 88 H GLY 88 10.536 9.160 2.157 689 1HA GLY 88 2HA GLY 88 9.183 10.985 2.369 690 2HA GLY 88 1HA GLY 88 10.369 11.606 3.508 691 HA PRO 89 HA PRO 89 10.602 14.699 0.246 692 1HB PRO 89 1HB PRO 89 12.039 16.311 2.178 693 2HB PRO 89 1HB PRO 89 10.439 16.579 1.484 694 1HG PRO 89 1HG PRO 89 10.863 15.918 4.099 695 2HG PRO 89 1HG PRO 89 9.376 15.534 3.219 696 1HD PRO 89 1HD PRO 89 11.695 13.769 3.884 697 2HD PRO 89 1HD PRO 89 9.958 13.397 3.865 698 H TYR 90 H TYR 90 12.098 14.022 -1.202 699 HA TYR 90 HA TYR 90 14.810 13.494 -0.641 700 1HB TYR 90 1HB TYR 90 13.506 14.301 -3.253 701 2HB TYR 90 1HB TYR 90 15.114 13.611 -3.092 702 HD1 TYR 90 HD1 TYR 90 15.401 11.249 -2.525 703 HD2 TYR 90 HD2 TYR 90 11.533 12.937 -3.049 704 HE1 TYR 90 HE1 TYR 90 14.447 8.990 -2.706 705 HE2 TYR 90 HE2 TYR 90 10.564 10.682 -3.224 706 HH TYR 90 HH TYR 90 12.314 7.856 -2.414 707 H GLU 91 H GLU 91 13.073 16.339 -1.679 708 HA GLU 91 HA GLU 91 14.900 18.099 -0.413 709 1HB GLU 91 1HB GLU 91 16.165 17.690 -2.510 710 2HB GLU 91 1HB GLU 91 14.777 18.235 -3.440 711 1HG GLU 91 1HG GLU 91 14.979 20.454 -2.493 712 2HG GLU 91 1HG GLU 91 16.319 19.921 -1.481 713 H ASN 92 H ASN 92 12.815 18.363 0.576 714 HA ASN 92 HA ASN 92 10.758 19.216 0.929 715 1HB ASN 92 1HB ASN 92 11.482 20.943 -1.439 716 2HB ASN 92 1HB ASN 92 9.944 21.090 -0.597 717 1HD2 ASN 92 1HD2 ASN 92 11.988 23.068 -0.865 718 2HD2 ASN 92 2HD2 ASN 92 12.524 23.470 0.733 719 H THR 93 H THR 93 11.055 19.015 -2.603 720 HA THR 93 HA THR 93 9.964 17.932 -4.209 721 HB THR 93 HB THR 93 8.864 15.670 -3.575 722 HG1 THR 93 HG1 THR 93 9.201 16.448 -1.175 723 1HG2 THR 93 1HG2 THR 93 11.815 16.191 -3.246 724 2HG2 THR 93 2HG2 THR 93 10.966 15.897 -4.764 725 3HG2 THR 93 3HG2 THR 93 11.088 14.616 -3.558 726 H THR 94 H THR 94 8.140 19.056 -1.597 727 HA THR 94 HA THR 94 6.177 20.191 -1.624 728 HB THR 94 HB THR 94 5.883 19.349 -4.512 729 HG1 THR 94 HG1 THR 94 7.636 20.611 -4.574 730 1HG2 THR 94 1HG2 THR 94 4.386 21.289 -4.665 731 2HG2 THR 94 2HG2 THR 94 4.584 21.576 -2.937 732 3HG2 THR 94 3HG2 THR 94 3.788 20.107 -3.501 733 H LYS 95 H LYS 95 4.353 19.585 -0.690 734 HA LYS 95 HA LYS 95 2.330 18.669 -0.391 735 1HB LYS 95 1HB LYS 95 2.072 18.581 -2.830 736 2HB LYS 95 1HB LYS 95 2.866 17.008 -2.851 737 1HG LYS 95 1HG LYS 95 1.065 16.141 -1.381 738 2HG LYS 95 1HG LYS 95 0.247 17.698 -1.538 739 1HD LYS 95 1HD LYS 95 0.033 17.380 -3.925 740 2HD LYS 95 1HD LYS 95 0.961 15.878 -3.834 741 1HE LYS 95 1HE LYS 95 -1.722 16.421 -2.567 742 2HE LYS 95 1HE LYS 95 -1.410 15.384 -3.960 743 1HZ LYS 95 1HZ LYS 95 0.013 14.006 -2.474 744 2HZ LYS 95 2HZ LYS 95 -1.627 14.004 -2.042 745 3HZ LYS 95 3HZ LYS 95 -0.522 14.929 -1.159 746 H LEU 96 H LEU 96 3.196 17.848 1.517 747 HA LEU 96 HA LEU 96 3.594 14.965 1.591 748 1HB LEU 96 1HB LEU 96 3.564 17.112 3.697 749 2HB LEU 96 1HB LEU 96 3.481 15.420 4.136 750 HG LEU 96 HG LEU 96 5.751 16.118 4.350 751 1HD1 LEU 96 1HD1 LEU 96 5.416 14.533 1.809 752 2HD1 LEU 96 2HD1 LEU 96 5.420 13.885 3.451 753 3HD1 LEU 96 3HD1 LEU 96 6.883 14.616 2.787 754 1HD2 LEU 96 1HD2 LEU 96 5.693 18.096 2.936 755 2HD2 LEU 96 2HD2 LEU 96 5.581 17.082 1.500 756 3HD2 LEU 96 3HD2 LEU 96 7.038 17.048 2.493 757 H SER 97 H SER 97 1.096 16.676 0.880 758 HA SER 97 HA SER 97 -1.113 16.275 0.761 759 1HB SER 97 1HB SER 97 -0.525 13.907 2.536 760 2HB SER 97 1HB SER 97 -2.102 14.250 1.814 761 HG SER 97 HG SER 97 -0.165 12.915 0.719 762 H THR 98 H THR 98 -3.121 16.219 2.200 763 HA THR 98 HA THR 98 -2.724 18.389 4.043 764 HB THR 98 HB THR 98 -5.286 18.241 4.157 765 HG1 THR 98 HG1 THR 98 -6.092 16.509 3.245 766 1HG2 THR 98 1HG2 THR 98 -4.109 19.875 2.772 767 2HG2 THR 98 2HG2 THR 98 -5.537 19.267 1.933 768 3HG2 THR 98 3HG2 THR 98 -3.932 18.678 1.489 769 H THR 99 H THR 99 -4.381 18.281 6.005 770 HA THR 99 HA THR 99 -3.551 15.974 7.590 771 HB THR 99 HB THR 99 -3.129 18.231 8.514 772 HG1 THR 99 HG1 THR 99 -4.662 17.763 10.501 773 1HG2 THR 99 1HG2 THR 99 -5.027 19.594 9.300 774 2HG2 THR 99 2HG2 THR 99 -6.139 18.474 8.512 775 3HG2 THR 99 3HG2 THR 99 -5.008 19.423 7.544 Start of MODEL 7 1 H MET 6 H MET 6 0.602 -16.829 -6.351 2 HA MET 6 HA MET 6 -0.574 -14.241 -5.841 3 1HB MET 6 1HB MET 6 0.297 -16.502 -4.087 4 2HB MET 6 1HB MET 6 0.033 -14.912 -3.390 5 1HG MET 6 1HG MET 6 -2.255 -14.981 -4.488 6 2HG MET 6 1HG MET 6 -1.945 -16.697 -4.754 7 1HE MET 6 1HE MET 6 -4.130 -17.353 -3.383 8 2HE MET 6 2HE MET 6 -4.467 -15.639 -3.151 9 3HE MET 6 3HE MET 6 -4.485 -16.736 -1.770 10 H ASN 7 H ASN 7 0.986 -12.883 -6.798 11 HA ASN 7 HA ASN 7 3.368 -12.506 -5.102 12 1HB ASN 7 1HB ASN 7 2.718 -11.153 -7.735 13 2HB ASN 7 1HB ASN 7 4.229 -11.036 -6.842 14 1HD2 ASN 7 1HD2 ASN 7 5.609 -12.860 -6.772 15 2HD2 ASN 7 2HD2 ASN 7 5.505 -14.090 -7.984 16 H HIS 8 H HIS 8 2.919 -11.204 -3.418 17 HA HIS 8 HA HIS 8 0.647 -9.394 -3.682 18 1HB HIS 8 1HB HIS 8 2.228 -10.076 -1.195 19 2HB HIS 8 1HB HIS 8 0.697 -9.213 -1.260 20 HD1 HIS 8 HD1 HIS 8 -1.430 -10.659 -1.919 21 HD2 HIS 8 HD2 HIS 8 2.044 -12.829 -1.202 22 HE1 HIS 8 HE1 HIS 8 -2.177 -13.032 -1.562 23 HE2 HIS 8 HE2 HIS 8 -0.043 -14.348 -1.346 24 H TYR 9 H TYR 9 1.376 -7.660 -4.794 25 HA TYR 9 HA TYR 9 3.646 -6.171 -3.667 26 1HB TYR 9 1HB TYR 9 2.247 -5.984 -6.343 27 2HB TYR 9 1HB TYR 9 3.435 -4.810 -5.797 28 HD1 TYR 9 HD1 TYR 9 5.794 -5.387 -5.680 29 HD2 TYR 9 HD2 TYR 9 2.921 -8.226 -7.009 30 HE1 TYR 9 HE1 TYR 9 7.603 -6.778 -6.595 31 HE2 TYR 9 HE2 TYR 9 4.724 -9.627 -7.921 32 HH TYR 9 HH TYR 9 8.029 -9.083 -7.213 33 H VAL 10 H VAL 10 3.034 -4.751 -2.160 34 HA VAL 10 HA VAL 10 0.421 -3.486 -2.269 35 HB VAL 10 HB VAL 10 2.665 -2.914 -0.324 36 1HG1 VAL 10 1HG1 VAL 10 0.879 -1.999 1.069 37 2HG1 VAL 10 2HG1 VAL 10 -0.298 -2.378 -0.187 38 3HG1 VAL 10 3HG1 VAL 10 0.959 -1.179 -0.489 39 1HG2 VAL 10 1HG2 VAL 10 1.655 -4.425 1.237 40 2HG2 VAL 10 2HG2 VAL 10 1.947 -5.313 -0.258 41 3HG2 VAL 10 3HG2 VAL 10 0.321 -4.759 0.139 42 H TYR 11 H TYR 11 0.146 -1.750 -3.535 43 HA TYR 11 HA TYR 11 2.480 -0.017 -3.969 44 1HB TYR 11 1HB TYR 11 1.271 0.728 -6.050 45 2HB TYR 11 1HB TYR 11 1.819 -0.942 -6.063 46 HD1 TYR 11 HD1 TYR 11 0.228 -2.774 -6.047 47 HD2 TYR 11 HD2 TYR 11 -1.118 1.264 -5.953 48 HE1 TYR 11 HE1 TYR 11 -2.042 -3.521 -6.619 49 HE2 TYR 11 HE2 TYR 11 -3.395 0.522 -6.513 50 HH TYR 11 HH TYR 11 -4.392 -2.673 -6.324 51 H ILE 12 H ILE 12 2.345 2.128 -3.576 52 HA ILE 12 HA ILE 12 -0.289 3.143 -2.781 53 HB ILE 12 HB ILE 12 1.185 2.922 -0.814 54 1HG1 ILE 12 1HG1 ILE 12 0.593 5.788 -1.563 55 2HG1 ILE 12 1HG1 ILE 12 -0.562 4.648 -0.880 56 1HG2 ILE 12 1HG2 ILE 12 3.353 3.262 -1.799 57 2HG2 ILE 12 2HG2 ILE 12 3.083 4.460 -0.529 58 3HG2 ILE 12 3HG2 ILE 12 2.932 4.922 -2.222 59 1HD1 ILE 12 1HD1 ILE 12 0.270 6.157 0.819 60 2HD1 ILE 12 2HD1 ILE 12 1.928 5.670 0.463 61 3HD1 ILE 12 3HD1 ILE 12 0.796 4.507 1.149 62 H LEU 13 H LEU 13 -0.983 4.290 -4.383 63 HA LEU 13 HA LEU 13 0.898 5.738 -6.099 64 1HB LEU 13 1HB LEU 13 -1.995 4.987 -6.517 65 2HB LEU 13 1HB LEU 13 -0.983 5.787 -7.699 66 HG LEU 13 HG LEU 13 -0.463 3.023 -6.606 67 1HD1 LEU 13 1HD1 LEU 13 -1.681 3.884 -9.226 68 2HD1 LEU 13 2HD1 LEU 13 -2.518 3.071 -7.904 69 3HD1 LEU 13 3HD1 LEU 13 -1.243 2.233 -8.788 70 1HD2 LEU 13 1HD2 LEU 13 1.542 4.201 -7.373 71 2HD2 LEU 13 2HD2 LEU 13 0.768 4.503 -8.927 72 3HD2 LEU 13 3HD2 LEU 13 1.134 2.852 -8.431 73 H GLU 14 H GLU 14 0.882 7.925 -6.264 74 HA GLU 14 HA GLU 14 -0.821 9.373 -4.419 75 1HB GLU 14 1HB GLU 14 1.609 9.921 -4.687 76 2HB GLU 14 1HB GLU 14 1.255 10.480 -6.318 77 1HG GLU 14 1HG GLU 14 -0.203 12.206 -5.443 78 2HG GLU 14 1HG GLU 14 0.060 11.621 -3.801 79 H CYS 15 H CYS 15 -2.842 9.723 -5.087 80 HA CYS 15 HA CYS 15 -3.519 9.963 -7.855 81 1HB CYS 15 1HB CYS 15 -5.195 10.575 -5.412 82 2HB CYS 15 1HB CYS 15 -5.794 10.347 -7.053 83 HG CYS 15 HG CYS 15 -4.437 7.980 -5.001 84 H LYS 16 H LYS 16 -4.775 11.857 -8.680 85 HA LYS 16 HA LYS 16 -3.095 14.098 -8.664 86 1HB LYS 16 1HB LYS 16 -4.488 13.495 -10.570 87 2HB LYS 16 1HB LYS 16 -5.943 13.816 -9.638 88 1HG LYS 16 1HG LYS 16 -5.487 16.150 -9.590 89 2HG LYS 16 1HG LYS 16 -3.873 15.906 -10.266 90 1HD LYS 16 1HD LYS 16 -4.877 15.070 -12.337 91 2HD LYS 16 1HD LYS 16 -6.486 15.328 -11.661 92 1HE LYS 16 1HE LYS 16 -5.699 17.133 -13.202 93 2HE LYS 16 1HE LYS 16 -6.160 17.687 -11.591 94 1HZ LYS 16 1HZ LYS 16 -3.344 17.027 -12.135 95 2HZ LYS 16 2HZ LYS 16 -4.002 18.131 -11.023 96 3HZ LYS 16 3HZ LYS 16 -3.972 18.508 -12.676 97 H ASP 17 H ASP 17 -5.978 13.354 -6.833 98 HA ASP 17 HA ASP 17 -6.323 16.053 -5.892 99 1HB ASP 17 1HB ASP 17 -8.116 15.120 -4.507 100 2HB ASP 17 1HB ASP 17 -8.255 14.577 -6.175 101 H GLY 18 H GLY 18 -4.130 13.684 -5.161 102 1HA GLY 18 2HA GLY 18 -2.382 14.122 -3.627 103 2HA GLY 18 1HA GLY 18 -3.493 15.080 -2.666 104 H SER 19 H SER 19 -4.991 12.228 -3.528 105 HA SER 19 HA SER 19 -4.571 11.148 -0.864 106 1HB SER 19 1HB SER 19 -6.413 10.229 -3.085 107 2HB SER 19 1HB SER 19 -6.405 9.610 -1.435 108 HG SER 19 HG SER 19 -7.410 11.991 -2.449 109 H TRP 20 H TRP 20 -3.039 9.684 -0.471 110 HA TRP 20 HA TRP 20 -1.798 8.237 -2.609 111 1HB TRP 20 1HB TRP 20 -1.472 7.983 0.387 112 2HB TRP 20 1HB TRP 20 -0.548 7.062 -0.785 113 HD1 TRP 20 HD TRP 20 -0.069 9.575 -2.815 114 HE1 TRP 20 HE1 TRP 20 1.700 11.328 -2.160 115 HE3 TRP 20 HE3 TRP 20 0.155 8.646 2.209 116 HZ2 TRP 20 HZ2 TRP 20 3.018 12.191 0.180 117 HZ3 TRP 20 HZ3 TRP 20 1.703 9.978 3.582 118 HH2 TRP 20 HH TRP 20 3.104 11.710 2.590 119 H TYR 21 H TYR 21 -2.292 6.377 -3.393 120 HA TYR 21 HA TYR 21 -4.762 5.104 -2.526 121 1HB TYR 21 1HB TYR 21 -4.099 5.872 -4.915 122 2HB TYR 21 1HB TYR 21 -3.093 4.435 -4.947 123 HD1 TYR 21 HD1 TYR 21 -6.513 5.720 -4.984 124 HD2 TYR 21 HD2 TYR 21 -4.091 2.224 -5.125 125 HE1 TYR 21 HE1 TYR 21 -8.430 4.435 -5.832 126 HE2 TYR 21 HE2 TYR 21 -6.010 0.924 -5.959 127 HH TYR 21 HH TYR 21 -8.597 1.147 -5.832 128 H THR 22 H THR 22 -4.388 3.623 -0.925 129 HA THR 22 HA THR 22 -1.964 1.979 -1.107 130 HB THR 22 HB THR 22 -3.745 2.400 1.301 131 HG1 THR 22 HG1 THR 22 -1.588 3.840 0.238 132 1HG2 THR 22 1HG2 THR 22 -2.403 0.351 1.402 133 2HG2 THR 22 2HG2 THR 22 -1.808 1.547 2.555 134 3HG2 THR 22 3HG2 THR 22 -0.944 1.278 1.040 135 H GLY 23 H GLY 23 -2.303 0.106 -2.066 136 1HA GLY 23 2HA GLY 23 -4.014 -1.829 -0.843 137 2HA GLY 23 1HA GLY 23 -4.615 -1.337 -2.427 138 H TYR 24 H TYR 24 -3.622 -3.981 -1.698 139 HA TYR 24 HA TYR 24 -1.141 -3.996 -3.275 140 1HB TYR 24 1HB TYR 24 -0.497 -6.036 -2.240 141 2HB TYR 24 1HB TYR 24 -1.019 -4.948 -0.969 142 HD1 TYR 24 HD1 TYR 24 -1.720 -8.058 -2.740 143 HD2 TYR 24 HD2 TYR 24 -3.047 -5.408 0.309 144 HE1 TYR 24 HE1 TYR 24 -3.185 -9.820 -1.855 145 HE2 TYR 24 HE2 TYR 24 -4.524 -7.160 1.197 146 HH TYR 24 HH TYR 24 -5.634 -9.210 0.414 147 H THR 25 H THR 25 -0.844 -5.338 -4.980 148 HA THR 25 HA THR 25 -3.300 -6.426 -6.159 149 HB THR 25 HB THR 25 -2.153 -4.899 -7.631 150 HG1 THR 25 HG1 THR 25 -3.009 -6.908 -8.563 151 1HG2 THR 25 1HG2 THR 25 0.079 -4.989 -6.678 152 2HG2 THR 25 2HG2 THR 25 0.152 -5.310 -8.411 153 3HG2 THR 25 3HG2 THR 25 0.284 -6.641 -7.259 154 H THR 26 H THR 26 -3.539 -8.535 -6.586 155 HA THR 26 HA THR 26 -1.283 -10.326 -6.701 156 HB THR 26 HB THR 26 -3.486 -10.907 -4.698 157 HG1 THR 26 HG1 THR 26 -1.265 -9.388 -4.455 158 1HG2 THR 26 1HG2 THR 26 -2.457 -12.893 -5.708 159 2HG2 THR 26 2HG2 THR 26 -2.015 -12.743 -4.006 160 3HG2 THR 26 3HG2 THR 26 -0.862 -12.295 -5.263 161 H ASP 27 H ASP 27 -2.474 -9.749 -8.795 162 HA ASP 27 HA ASP 27 -4.526 -11.761 -9.336 163 1HB ASP 27 1HB ASP 27 -5.717 -9.985 -10.745 164 2HB ASP 27 1HB ASP 27 -5.875 -9.844 -8.997 165 H VAL 28 H VAL 28 -4.647 -12.440 -11.504 166 HA VAL 28 HA VAL 28 -2.259 -12.451 -12.988 167 HB VAL 28 HB VAL 28 -4.035 -14.180 -13.190 168 1HG1 VAL 28 1HG1 VAL 28 -5.982 -12.719 -13.215 169 2HG1 VAL 28 2HG1 VAL 28 -5.967 -13.768 -14.632 170 3HG1 VAL 28 3HG1 VAL 28 -5.493 -12.077 -14.783 171 1HG2 VAL 28 1HG2 VAL 28 -3.209 -12.847 -15.764 172 2HG2 VAL 28 2HG2 VAL 28 -3.852 -14.483 -15.633 173 3HG2 VAL 28 3HG2 VAL 28 -2.312 -14.077 -14.876 174 H ASP 29 H ASP 29 -4.800 -10.177 -12.776 175 HA ASP 29 HA ASP 29 -4.504 -8.966 -15.327 176 1HB ASP 29 1HB ASP 29 -5.654 -7.803 -12.785 177 2HB ASP 29 1HB ASP 29 -5.890 -7.183 -14.414 178 H ARG 30 H ARG 30 -2.541 -9.003 -12.613 179 HA ARG 30 HA ARG 30 -1.501 -6.442 -12.418 180 1HB ARG 30 1HB ARG 30 -0.883 -8.326 -10.934 181 2HB ARG 30 1HB ARG 30 0.036 -9.045 -12.252 182 1HG ARG 30 1HG ARG 30 1.385 -6.894 -12.283 183 2HG ARG 30 1HG ARG 30 0.607 -6.510 -10.746 184 1HD ARG 30 1HD ARG 30 2.618 -7.531 -10.150 185 2HD ARG 30 1HD ARG 30 1.415 -8.801 -9.968 186 HE ARG 30 HE ARG 30 3.021 -8.615 -12.430 187 1HH1 ARG 30 1HH1 ARG 30 1.959 -10.433 -9.624 188 2HH1 ARG 30 2HH1 ARG 30 2.852 -11.859 -10.053 189 1HH2 ARG 30 1HH2 ARG 30 4.199 -10.472 -12.981 190 2HH2 ARG 30 2HH2 ARG 30 4.139 -11.882 -11.961 191 H ARG 31 H ARG 31 -0.497 -9.084 -14.561 192 HA ARG 31 HA ARG 31 1.637 -7.618 -15.718 193 1HB ARG 31 1HB ARG 31 0.229 -10.040 -16.854 194 2HB ARG 31 1HB ARG 31 1.819 -9.452 -17.308 195 1HG ARG 31 1HG ARG 31 2.512 -9.877 -14.908 196 2HG ARG 31 1HG ARG 31 0.988 -10.752 -14.731 197 1HD ARG 31 1HD ARG 31 2.715 -12.331 -15.257 198 2HD ARG 31 1HD ARG 31 1.657 -12.177 -16.662 199 HE ARG 31 HE ARG 31 4.307 -10.880 -16.416 200 1HH1 ARG 31 1HH1 ARG 31 1.814 -12.401 -18.359 201 2HH1 ARG 31 2HH1 ARG 31 2.710 -12.258 -19.835 202 1HH2 ARG 31 1HH2 ARG 31 5.479 -10.703 -18.342 203 2HH2 ARG 31 2HH2 ARG 31 4.810 -11.326 -19.827 204 H ILE 32 H ILE 32 -1.624 -8.468 -16.864 205 HA ILE 32 HA ILE 32 -1.403 -7.232 -19.368 206 HB ILE 32 HB ILE 32 -3.132 -8.828 -19.040 207 1HG1 ILE 32 1HG1 ILE 32 -4.417 -6.108 -19.362 208 2HG1 ILE 32 1HG1 ILE 32 -3.622 -7.018 -20.643 209 1HG2 ILE 32 1HG2 ILE 32 -3.542 -8.598 -16.689 210 2HG2 ILE 32 2HG2 ILE 32 -5.064 -8.424 -17.565 211 3HG2 ILE 32 3HG2 ILE 32 -4.245 -6.998 -16.932 212 1HD1 ILE 32 1HD1 ILE 32 -5.294 -8.763 -20.472 213 2HD1 ILE 32 2HD1 ILE 32 -6.059 -7.197 -20.743 214 3HD1 ILE 32 3HD1 ILE 32 -6.066 -7.916 -19.132 215 H LYS 33 H LYS 33 -2.369 -5.908 -16.224 216 HA LYS 33 HA LYS 33 -3.167 -3.369 -17.120 217 1HB LYS 33 1HB LYS 33 -1.988 -4.344 -14.535 218 2HB LYS 33 1HB LYS 33 -2.211 -2.621 -14.805 219 1HG LYS 33 1HG LYS 33 -4.627 -3.086 -15.251 220 2HG LYS 33 1HG LYS 33 -4.336 -4.754 -14.747 221 1HD LYS 33 1HD LYS 33 -3.607 -2.432 -12.986 222 2HD LYS 33 1HD LYS 33 -5.239 -3.099 -13.000 223 1HE LYS 33 1HE LYS 33 -2.795 -4.792 -12.531 224 2HE LYS 33 1HE LYS 33 -3.663 -3.989 -11.220 225 1HZ LYS 33 1HZ LYS 33 -4.393 -6.292 -11.533 226 2HZ LYS 33 2HZ LYS 33 -4.858 -5.929 -13.120 227 3HZ LYS 33 3HZ LYS 33 -5.655 -5.190 -11.822 228 H LYS 34 H LYS 34 0.032 -4.563 -16.156 229 HA LYS 34 HA LYS 34 1.464 -2.206 -16.684 230 1HB LYS 34 1HB LYS 34 2.429 -4.046 -15.409 231 2HB LYS 34 1HB LYS 34 2.363 -5.089 -16.821 232 1HG LYS 34 1HG LYS 34 4.620 -4.287 -16.435 233 2HG LYS 34 1HG LYS 34 3.985 -3.669 -17.963 234 1HD LYS 34 1HD LYS 34 3.460 -1.534 -16.861 235 2HD LYS 34 1HD LYS 34 4.124 -2.157 -15.349 236 1HE LYS 34 1HE LYS 34 5.647 -1.793 -17.929 237 2HE LYS 34 1HE LYS 34 5.728 -0.724 -16.529 238 1HZ LYS 34 1HZ LYS 34 6.542 -3.582 -16.598 239 2HZ LYS 34 2HZ LYS 34 6.571 -2.587 -15.223 240 3HZ LYS 34 3HZ LYS 34 7.585 -2.244 -16.540 241 H HIS 35 H HIS 35 0.499 -4.884 -18.757 242 HA HIS 35 HA HIS 35 1.987 -4.201 -21.036 243 1HB HIS 35 1HB HIS 35 0.777 -6.368 -20.664 244 2HB HIS 35 1HB HIS 35 -0.735 -5.526 -20.978 245 HD1 HIS 35 HD1 HIS 35 -1.532 -5.773 -23.305 246 HD2 HIS 35 HD2 HIS 35 2.617 -6.047 -23.044 247 HE1 HIS 35 HE1 HIS 35 -0.728 -6.269 -25.639 248 HE2 HIS 35 HE2 HIS 35 1.784 -6.337 -25.480 249 H ALA 36 H ALA 36 -1.339 -3.328 -20.102 250 HA ALA 36 HA ALA 36 -1.892 -1.656 -22.294 251 1HB ALA 36 1HB ALA 36 -3.671 -0.727 -20.919 252 2HB ALA 36 2HB ALA 36 -2.960 -1.456 -19.480 253 3HB ALA 36 3HB ALA 36 -3.612 -2.482 -20.759 254 H SER 37 H SER 37 -0.320 -1.043 -19.216 255 HA SER 37 HA SER 37 -0.123 1.797 -19.550 256 1HB SER 37 1HB SER 37 1.447 -0.026 -17.721 257 2HB SER 37 1HB SER 37 1.249 1.717 -17.549 258 HG SER 37 HG SER 37 -0.708 -0.312 -17.243 259 H GLY 38 H GLY 38 1.479 -0.788 -20.917 260 1HA GLY 38 2HA GLY 38 4.157 0.162 -20.890 261 2HA GLY 38 1HA GLY 38 3.526 -1.143 -21.879 262 H LYS 39 H LYS 39 1.695 1.605 -22.298 263 HA LYS 39 HA LYS 39 1.504 3.233 -23.861 264 1HB LYS 39 1HB LYS 39 4.103 3.444 -23.286 265 2HB LYS 39 1HB LYS 39 4.273 2.832 -24.921 266 1HG LYS 39 1HG LYS 39 2.671 5.277 -24.211 267 2HG LYS 39 1HG LYS 39 4.363 5.313 -24.704 268 1HD LYS 39 1HD LYS 39 3.715 4.205 -26.824 269 2HD LYS 39 1HD LYS 39 2.025 4.321 -26.330 270 1HE LYS 39 1HE LYS 39 2.563 6.143 -27.826 271 2HE LYS 39 1HE LYS 39 2.258 6.773 -26.207 272 1HZ LYS 39 1HZ LYS 39 4.183 7.826 -27.194 273 2HZ LYS 39 2HZ LYS 39 4.934 6.323 -27.432 274 3HZ LYS 39 3HZ LYS 39 4.658 6.897 -25.858 275 H GLY 40 H GLY 40 0.079 1.642 -24.749 276 1HA GLY 40 2HA GLY 40 -0.066 1.359 -27.382 277 2HA GLY 40 1HA GLY 40 1.045 0.051 -26.984 278 H ALA 41 H ALA 41 -0.243 -1.651 -27.454 279 HA ALA 41 HA ALA 41 -1.766 -3.291 -27.143 280 1HB ALA 41 1HB ALA 41 -2.696 -3.618 -24.907 281 2HB ALA 41 2HB ALA 41 -2.181 -1.995 -24.449 282 3HB ALA 41 3HB ALA 41 -0.978 -3.227 -24.834 283 H LYS 42 H LYS 42 -3.673 -1.167 -25.114 284 HA LYS 42 HA LYS 42 -5.642 -0.993 -27.288 285 1HB LYS 42 1HB LYS 42 -6.337 -2.637 -25.574 286 2HB LYS 42 1HB LYS 42 -6.244 -1.378 -24.351 287 1HG LYS 42 1HG LYS 42 -8.046 -0.167 -25.369 288 2HG LYS 42 1HG LYS 42 -8.066 -1.270 -26.745 289 1HD LYS 42 1HD LYS 42 -8.658 -3.114 -25.202 290 2HD LYS 42 1HD LYS 42 -8.748 -1.939 -23.887 291 1HE LYS 42 1HE LYS 42 -10.550 -0.778 -24.970 292 2HE LYS 42 1HE LYS 42 -10.388 -1.781 -26.412 293 1HZ LYS 42 1HZ LYS 42 -11.232 -2.717 -23.720 294 2HZ LYS 42 2HZ LYS 42 -11.015 -3.709 -25.075 295 3HZ LYS 42 3HZ LYS 42 -12.230 -2.528 -25.080 296 H TYR 43 H TYR 43 -5.833 1.017 -27.907 297 HA TYR 43 HA TYR 43 -5.153 3.203 -26.143 298 1HB TYR 43 1HB TYR 43 -4.447 3.294 -28.465 299 2HB TYR 43 1HB TYR 43 -6.115 3.148 -29.008 300 HD1 TYR 43 HD1 TYR 43 -4.004 5.349 -26.851 301 HD2 TYR 43 HD2 TYR 43 -7.244 5.072 -29.592 302 HE1 TYR 43 HE1 TYR 43 -4.204 7.799 -26.851 303 HE2 TYR 43 HE2 TYR 43 -7.454 7.522 -29.600 304 HH TYR 43 HH TYR 43 -6.887 9.428 -28.133 305 H THR 44 H THR 44 -6.546 4.130 -24.844 306 HA THR 44 HA THR 44 -9.208 4.795 -25.722 307 HB THR 44 HB THR 44 -9.542 2.503 -24.884 308 HG1 THR 44 HG1 THR 44 -10.613 4.650 -23.370 309 1HG2 THR 44 1HG2 THR 44 -9.188 1.965 -22.529 310 2HG2 THR 44 2HG2 THR 44 -8.502 3.566 -22.259 311 3HG2 THR 44 3HG2 THR 44 -7.672 2.415 -23.307 312 H ARG 45 H ARG 45 -6.556 5.850 -24.638 313 HA ARG 45 HA ARG 45 -5.635 7.162 -23.029 314 1HB ARG 45 1HB ARG 45 -6.875 9.321 -22.719 315 2HB ARG 45 1HB ARG 45 -6.563 8.859 -24.379 316 1HG ARG 45 1HG ARG 45 -8.870 8.128 -24.624 317 2HG ARG 45 1HG ARG 45 -9.188 8.551 -22.941 318 1HD ARG 45 1HD ARG 45 -8.759 10.874 -23.381 319 2HD ARG 45 1HD ARG 45 -8.230 10.504 -25.023 320 HE ARG 45 HE ARG 45 -10.662 9.634 -25.243 321 1HH1 ARG 45 1HH1 ARG 45 -9.645 12.426 -23.376 322 2HH1 ARG 45 2HH1 ARG 45 -11.138 13.285 -23.615 323 1HH2 ARG 45 1HH2 ARG 45 -12.622 10.759 -25.547 324 2HH2 ARG 45 2HH2 ARG 45 -12.837 12.325 -24.836 325 H GLY 46 H GLY 46 -7.046 8.886 -21.136 326 1HA GLY 46 2HA GLY 46 -7.785 8.834 -18.960 327 2HA GLY 46 1HA GLY 46 -8.552 7.296 -19.330 328 H ARG 47 H ARG 47 -5.120 7.928 -19.665 329 HA ARG 47 HA ARG 47 -4.603 5.773 -17.763 330 1HB ARG 47 1HB ARG 47 -2.828 7.036 -19.865 331 2HB ARG 47 1HB ARG 47 -2.308 5.773 -18.758 332 1HG ARG 47 1HG ARG 47 -3.912 4.230 -19.708 333 2HG ARG 47 1HG ARG 47 -4.543 5.498 -20.759 334 1HD ARG 47 1HD ARG 47 -2.367 5.671 -21.862 335 2HD ARG 47 1HD ARG 47 -1.728 4.411 -20.805 336 HE ARG 47 HE ARG 47 -3.794 3.151 -21.930 337 1HH1 ARG 47 1HH1 ARG 47 -1.316 5.160 -23.366 338 2HH1 ARG 47 2HH1 ARG 47 -1.290 4.293 -24.873 339 1HH2 ARG 47 1HH2 ARG 47 -3.775 2.001 -23.927 340 2HH2 ARG 47 2HH2 ARG 47 -2.676 2.492 -25.175 341 H GLY 48 H GLY 48 -5.179 7.319 -16.083 342 1HA GLY 48 2HA GLY 48 -2.914 8.195 -14.674 343 2HA GLY 48 1HA GLY 48 -3.660 9.590 -15.452 344 HA PRO 49 HA PRO 49 -3.231 10.768 -13.983 345 1HB PRO 49 1HB PRO 49 -3.970 12.636 -12.194 346 2HB PRO 49 1HB PRO 49 -4.860 12.393 -13.697 347 1HG PRO 49 1HG PRO 49 -5.680 11.794 -10.954 348 2HG PRO 49 1HG PRO 49 -6.667 11.893 -12.420 349 1HD PRO 49 1HD PRO 49 -5.537 9.533 -11.108 350 2HD PRO 49 1HD PRO 49 -6.785 9.628 -12.368 351 H PHE 50 H PHE 50 -3.020 8.462 -12.075 352 HA PHE 50 HA PHE 50 -2.078 9.522 -9.579 353 1HB PHE 50 1HB PHE 50 -1.704 7.147 -8.986 354 2HB PHE 50 1HB PHE 50 -3.332 7.455 -9.575 355 HD1 PHE 50 HD1 PHE 50 -4.090 6.542 -11.677 356 HD2 PHE 50 HD2 PHE 50 -0.127 5.841 -10.290 357 HE1 PHE 50 HE1 PHE 50 -3.832 4.751 -13.338 358 HE2 PHE 50 HE2 PHE 50 0.140 4.043 -11.953 359 HZ PHE 50 HZ PHE 50 -1.714 3.501 -13.481 360 H ARG 51 H ARG 51 -0.067 9.520 -8.741 361 HA ARG 51 HA ARG 51 2.197 8.810 -10.485 362 1HB ARG 51 1HB ARG 51 1.839 10.654 -8.164 363 2HB ARG 51 1HB ARG 51 3.395 9.860 -8.324 364 1HG ARG 51 1HG ARG 51 3.545 12.004 -9.331 365 2HG ARG 51 1HG ARG 51 3.573 10.804 -10.616 366 1HD ARG 51 1HD ARG 51 1.005 12.111 -9.807 367 2HD ARG 51 1HD ARG 51 2.130 12.936 -10.884 368 HE ARG 51 HE ARG 51 1.038 10.269 -11.504 369 1HH1 ARG 51 1HH1 ARG 51 1.784 13.576 -12.415 370 2HH1 ARG 51 2HH1 ARG 51 1.221 13.381 -14.050 371 1HH2 ARG 51 1HH2 ARG 51 0.349 9.999 -13.651 372 2HH2 ARG 51 2HH2 ARG 51 0.445 11.333 -14.769 373 H LEU 52 H LEU 52 4.110 7.933 -8.904 374 HA LEU 52 HA LEU 52 2.877 5.917 -7.140 375 1HB LEU 52 1HB LEU 52 3.629 4.903 -9.261 376 2HB LEU 52 1HB LEU 52 5.252 5.496 -8.968 377 HG LEU 52 HG LEU 52 3.981 3.670 -6.963 378 1HD1 LEU 52 1HD1 LEU 52 5.251 2.824 -9.565 379 2HD1 LEU 52 2HD1 LEU 52 3.584 2.542 -9.062 380 3HD1 LEU 52 3HD1 LEU 52 4.908 1.747 -8.210 381 1HD2 LEU 52 1HD2 LEU 52 6.143 4.711 -6.459 382 2HD2 LEU 52 2HD2 LEU 52 6.817 4.020 -7.934 383 3HD2 LEU 52 3HD2 LEU 52 6.289 2.961 -6.626 384 H VAL 53 H VAL 53 3.636 5.892 -5.126 385 HA VAL 53 HA VAL 53 5.914 7.629 -4.512 386 HB VAL 53 HB VAL 53 3.957 6.336 -2.603 387 1HG1 VAL 53 1HG1 VAL 53 5.972 8.540 -2.191 388 2HG1 VAL 53 2HG1 VAL 53 6.063 6.904 -1.540 389 3HG1 VAL 53 3HG1 VAL 53 4.789 8.000 -0.999 390 1HG2 VAL 53 1HG2 VAL 53 2.909 8.554 -2.457 391 2HG2 VAL 53 2HG2 VAL 53 2.794 7.877 -4.080 392 3HG2 VAL 53 3HG2 VAL 53 3.982 9.136 -3.730 393 H ALA 54 H ALA 54 4.699 4.395 -3.615 394 HA ALA 54 HA ALA 54 7.381 3.327 -3.721 395 1HB ALA 54 1HB ALA 54 5.875 3.351 -1.112 396 2HB ALA 54 2HB ALA 54 7.347 4.257 -1.469 397 3HB ALA 54 3HB ALA 54 7.382 2.492 -1.420 398 H THR 55 H THR 55 7.392 0.960 -3.260 399 HA THR 55 HA THR 55 4.781 -0.344 -3.444 400 HB THR 55 HB THR 55 7.039 -1.036 -5.334 401 HG1 THR 55 HG1 THR 55 5.106 0.902 -5.480 402 1HG2 THR 55 1HG2 THR 55 5.503 -2.877 -4.789 403 2HG2 THR 55 2HG2 THR 55 5.337 -2.370 -6.469 404 3HG2 THR 55 3HG2 THR 55 4.137 -1.874 -5.275 405 H TRP 56 H TRP 56 4.699 -2.099 -2.180 406 HA TRP 56 HA TRP 56 7.225 -3.179 -1.110 407 1HB TRP 56 1HB TRP 56 4.424 -3.127 0.038 408 2HB TRP 56 1HB TRP 56 5.729 -4.084 0.729 409 HD1 TRP 56 HD TRP 56 7.509 -2.854 2.186 410 HE1 TRP 56 HE1 TRP 56 7.695 -0.469 3.128 411 HE3 TRP 56 HE3 TRP 56 3.840 -0.616 -0.578 412 HZ2 TRP 56 HZ2 TRP 56 6.442 2.042 2.746 413 HZ3 TRP 56 HZ3 TRP 56 3.393 1.780 -0.229 414 HH2 TRP 56 HH TRP 56 4.669 3.077 1.400 415 H ALA 57 H ALA 57 7.423 -5.475 -0.902 416 HA ALA 57 HA ALA 57 5.471 -7.037 -2.453 417 1HB ALA 57 1HB ALA 57 7.335 -6.539 -3.939 418 2HB ALA 57 2HB ALA 57 7.291 -8.257 -3.548 419 3HB ALA 57 3HB ALA 57 8.466 -7.203 -2.761 420 H PHE 58 H PHE 58 4.670 -8.542 -1.131 421 HA PHE 58 HA PHE 58 6.544 -9.933 0.671 422 1HB PHE 58 1HB PHE 58 3.636 -9.394 1.298 423 2HB PHE 58 1HB PHE 58 4.830 -10.126 2.358 424 HD1 PHE 58 HD1 PHE 58 6.843 -8.685 3.033 425 HD2 PHE 58 HD2 PHE 58 3.259 -7.106 1.373 426 HE1 PHE 58 HE1 PHE 58 7.397 -6.473 3.957 427 HE2 PHE 58 HE2 PHE 58 3.800 -4.894 2.297 428 HZ PHE 58 HZ PHE 58 5.873 -4.574 3.587 429 HA PRO 59 HA PRO 59 4.955 -13.458 -1.514 430 1HB PRO 59 1HB PRO 59 6.231 -15.380 -0.146 431 2HB PRO 59 1HB PRO 59 7.094 -14.287 -1.233 432 1HG PRO 59 1HG PRO 59 6.860 -14.196 1.751 433 2HG PRO 59 1HG PRO 59 8.285 -13.924 0.732 434 1HD PRO 59 1HD PRO 59 6.773 -11.911 1.810 435 2HD PRO 59 1HD PRO 59 7.720 -11.746 0.316 436 H SER 60 H SER 60 4.504 -12.833 1.855 437 HA SER 60 HA SER 60 2.876 -15.198 2.279 438 1HB SER 60 1HB SER 60 3.614 -12.943 4.157 439 2HB SER 60 1HB SER 60 2.765 -14.421 4.615 440 HG SER 60 HG SER 60 4.580 -15.612 4.086 441 H LYS 61 H LYS 61 0.764 -15.274 2.144 442 HA LYS 61 HA LYS 61 -0.827 -13.143 1.212 443 1HB LYS 61 1HB LYS 61 -1.389 -15.519 0.869 444 2HB LYS 61 1HB LYS 61 -1.666 -15.706 2.594 445 1HG LYS 61 1HG LYS 61 -3.556 -14.218 2.503 446 2HG LYS 61 1HG LYS 61 -3.235 -13.857 0.807 447 1HD LYS 61 1HD LYS 61 -4.928 -15.432 0.669 448 2HD LYS 61 1HD LYS 61 -3.484 -16.418 0.470 449 1HE LYS 61 1HE LYS 61 -4.998 -16.049 3.052 450 2HE LYS 61 1HE LYS 61 -5.144 -17.437 1.982 451 1HZ LYS 61 1HZ LYS 61 -2.555 -17.497 2.373 452 2HZ LYS 61 2HZ LYS 61 -3.632 -18.239 3.441 453 3HZ LYS 61 3HZ LYS 61 -2.985 -16.713 3.817 454 H GLU 62 H GLU 62 -0.357 -14.549 4.410 455 HA GLU 62 HA GLU 62 -2.283 -12.992 5.762 456 1HB GLU 62 1HB GLU 62 0.113 -14.584 6.630 457 2HB GLU 62 1HB GLU 62 -0.776 -13.611 7.791 458 1HG GLU 62 1HG GLU 62 -1.442 -15.996 7.737 459 2HG GLU 62 1HG GLU 62 -2.768 -14.873 7.442 460 H GLU 63 H GLU 63 1.125 -12.511 5.074 461 HA GLU 63 HA GLU 63 1.545 -10.242 6.685 462 1HB GLU 63 1HB GLU 63 3.300 -11.670 5.530 463 2HB GLU 63 1HB GLU 63 2.897 -10.816 4.048 464 1HG GLU 63 1HG GLU 63 4.816 -9.777 4.940 465 2HG GLU 63 1HG GLU 63 3.462 -8.686 5.237 466 H ALA 64 H ALA 64 0.617 -10.606 3.288 467 HA ALA 64 HA ALA 64 0.547 -7.888 2.614 468 1HB ALA 64 1HB ALA 64 -0.783 -8.565 0.694 469 2HB ALA 64 2HB ALA 64 -1.073 -10.139 1.436 470 3HB ALA 64 3HB ALA 64 0.559 -9.677 0.954 471 H MET 65 H MET 65 -2.050 -10.042 3.745 472 HA MET 65 HA MET 65 -4.095 -8.092 3.628 473 1HB MET 65 1HB MET 65 -3.875 -10.600 5.297 474 2HB MET 65 1HB MET 65 -5.324 -9.609 5.204 475 1HG MET 65 1HG MET 65 -5.370 -10.013 2.755 476 2HG MET 65 1HG MET 65 -4.015 -11.120 2.957 477 1HE MET 65 1HE MET 65 -4.160 -13.363 4.441 478 2HE MET 65 2HE MET 65 -5.628 -13.879 5.269 479 3HE MET 65 3HE MET 65 -4.778 -12.428 5.802 480 H ARG 66 H ARG 66 -1.947 -9.150 6.227 481 HA ARG 66 HA ARG 66 -2.976 -7.555 8.293 482 1HB ARG 66 1HB ARG 66 -1.462 -9.270 8.893 483 2HB ARG 66 1HB ARG 66 -0.244 -8.706 7.755 484 1HG ARG 66 1HG ARG 66 -0.069 -6.619 9.165 485 2HG ARG 66 1HG ARG 66 -1.061 -7.456 10.360 486 1HD ARG 66 1HD ARG 66 0.570 -9.120 10.705 487 2HD ARG 66 1HD ARG 66 1.473 -8.640 9.266 488 HE ARG 66 HE ARG 66 1.322 -6.500 11.132 489 1HH1 ARG 66 1HH1 ARG 66 2.941 -9.542 10.509 490 2HH1 ARG 66 2HH1 ARG 66 4.379 -9.107 11.387 491 1HH2 ARG 66 1HH2 ARG 66 3.204 -5.928 12.303 492 2HH2 ARG 66 2HH2 ARG 66 4.511 -7.068 12.423 493 H TRP 67 H TRP 67 -0.332 -6.930 6.013 494 HA TRP 67 HA TRP 67 0.551 -4.514 7.060 495 1HB TRP 67 1HB TRP 67 1.592 -5.992 5.237 496 2HB TRP 67 1HB TRP 67 0.536 -5.146 4.112 497 HD1 TRP 67 HD TRP 67 3.756 -4.774 6.036 498 HE1 TRP 67 HE1 TRP 67 4.883 -2.552 5.398 499 HE3 TRP 67 HE3 TRP 67 -0.074 -2.641 3.398 500 HZ2 TRP 67 HZ2 TRP 67 4.235 -0.206 3.970 501 HZ3 TRP 67 HZ3 TRP 67 0.262 -0.406 2.431 502 HH2 TRP 67 HH TRP 67 2.369 0.785 2.711 503 H GLU 68 H GLU 68 -1.696 -5.030 4.346 504 HA GLU 68 HA GLU 68 -2.318 -2.333 3.883 505 1HB GLU 68 1HB GLU 68 -2.802 -4.347 2.414 506 2HB GLU 68 1HB GLU 68 -4.184 -4.664 3.435 507 1HG GLU 68 1HG GLU 68 -4.980 -2.338 2.888 508 2HG GLU 68 1HG GLU 68 -3.707 -2.282 1.673 509 H TYR 69 H TYR 69 -3.841 -4.774 5.886 510 HA TYR 69 HA TYR 69 -6.066 -3.398 6.832 511 1HB TYR 69 1HB TYR 69 -5.751 -5.768 7.221 512 2HB TYR 69 1HB TYR 69 -4.326 -5.459 8.199 513 HD1 TYR 69 HD1 TYR 69 -8.002 -4.844 8.104 514 HD2 TYR 69 HD2 TYR 69 -4.513 -5.267 10.506 515 HE1 TYR 69 HE1 TYR 69 -9.400 -4.864 10.124 516 HE2 TYR 69 HE2 TYR 69 -5.903 -5.283 12.533 517 HH TYR 69 HH TYR 69 -8.082 -4.591 13.290 518 H GLU 70 H GLU 70 -2.807 -3.557 8.281 519 HA GLU 70 HA GLU 70 -3.394 -1.951 10.514 520 1HB GLU 70 1HB GLU 70 -0.758 -2.431 9.122 521 2HB GLU 70 1HB GLU 70 -0.927 -1.628 10.674 522 1HG GLU 70 1HG GLU 70 -1.971 -3.686 11.571 523 2HG GLU 70 1HG GLU 70 -1.635 -4.481 10.033 524 H VAL 71 H VAL 71 -1.831 -1.072 7.428 525 HA VAL 71 HA VAL 71 -1.356 1.604 8.014 526 HB VAL 71 HB VAL 71 -1.889 0.335 5.329 527 1HG1 VAL 71 1HG1 VAL 71 -2.182 2.748 5.177 528 2HG1 VAL 71 2HG1 VAL 71 -0.688 2.257 4.377 529 3HG1 VAL 71 3HG1 VAL 71 -0.629 3.002 5.975 530 1HG2 VAL 71 1HG2 VAL 71 -0.021 -0.659 6.519 531 2HG2 VAL 71 2HG2 VAL 71 0.675 0.939 6.797 532 3HG2 VAL 71 3HG2 VAL 71 0.561 0.297 5.157 533 H LYS 72 H LYS 72 -4.304 0.079 6.812 534 HA LYS 72 HA LYS 72 -5.572 2.523 6.092 535 1HB LYS 72 1HB LYS 72 -6.671 -0.227 6.628 536 2HB LYS 72 1HB LYS 72 -7.684 1.127 6.142 537 1HG LYS 72 1HG LYS 72 -6.365 1.359 4.088 538 2HG LYS 72 1HG LYS 72 -5.390 -0.029 4.573 539 1HD LYS 72 1HD LYS 72 -7.366 -1.447 4.528 540 2HD LYS 72 1HD LYS 72 -8.367 -0.062 4.088 541 1HE LYS 72 1HE LYS 72 -7.051 0.204 2.024 542 2HE LYS 72 1HE LYS 72 -6.108 -1.224 2.460 543 1HZ LYS 72 1HZ LYS 72 -7.832 -1.803 0.905 544 2HZ LYS 72 2HZ LYS 72 -9.028 -1.142 1.905 545 3HZ LYS 72 3HZ LYS 72 -8.170 -2.521 2.397 546 H HIS 73 H HIS 73 -5.777 0.488 9.006 547 HA HIS 73 HA HIS 73 -7.729 2.244 10.218 548 1HB HIS 73 1HB HIS 73 -6.205 -0.126 11.323 549 2HB HIS 73 1HB HIS 73 -7.419 0.767 12.230 550 HD1 HIS 73 HD1 HIS 73 -9.664 -0.283 12.172 551 HD2 HIS 73 HD2 HIS 73 -7.455 -1.173 8.753 552 HE1 HIS 73 HE1 HIS 73 -11.099 -1.837 10.814 553 HE2 HIS 73 HE2 HIS 73 -9.799 -2.279 8.707 554 H LEU 74 H LEU 74 -4.431 2.272 9.864 555 HA LEU 74 HA LEU 74 -3.531 3.410 12.277 556 1HB LEU 74 1HB LEU 74 -2.536 2.913 9.567 557 2HB LEU 74 1HB LEU 74 -1.851 4.357 10.281 558 HG LEU 74 HG LEU 74 -1.784 1.666 11.651 559 1HD1 LEU 74 1HD1 LEU 74 -0.569 1.379 9.615 560 2HD1 LEU 74 2HD1 LEU 74 0.616 1.649 10.889 561 3HD1 LEU 74 3HD1 LEU 74 0.204 2.954 9.774 562 1HD2 LEU 74 1HD2 LEU 74 -1.511 3.548 13.131 563 2HD2 LEU 74 2HD2 LEU 74 -0.327 4.277 12.042 564 3HD2 LEU 74 3HD2 LEU 74 0.060 2.777 12.893 565 H SER 75 H SER 75 -3.274 5.574 12.918 566 HA SER 75 HA SER 75 -5.091 7.484 11.760 567 1HB SER 75 1HB SER 75 -3.080 7.849 13.999 568 2HB SER 75 1HB SER 75 -4.442 8.909 13.630 569 HG SER 75 HG SER 75 -5.255 6.346 13.925 570 H ARG 76 H ARG 76 -4.430 9.647 11.067 571 HA ARG 76 HA ARG 76 -3.137 9.767 8.776 572 1HB ARG 76 1HB ARG 76 -3.317 11.824 10.919 573 2HB ARG 76 1HB ARG 76 -2.403 12.184 9.464 574 1HG ARG 76 1HG ARG 76 -4.401 11.722 8.113 575 2HG ARG 76 1HG ARG 76 -5.311 11.413 9.594 576 1HD ARG 76 1HD ARG 76 -5.081 13.656 10.317 577 2HD ARG 76 1HD ARG 76 -3.858 13.998 9.097 578 HE ARG 76 HE ARG 76 -5.947 13.412 7.556 579 1HH1 ARG 76 1HH1 ARG 76 -5.769 15.429 10.420 580 2HH1 ARG 76 2HH1 ARG 76 -7.018 16.507 9.886 581 1HH2 ARG 76 1HH2 ARG 76 -7.581 14.837 6.862 582 2HH2 ARG 76 2HH2 ARG 76 -8.041 16.181 7.875 583 H ARG 77 H ARG 77 -1.290 10.203 11.811 584 HA ARG 77 HA ARG 77 1.097 11.018 10.539 585 1HB ARG 77 1HB ARG 77 0.713 11.442 12.908 586 2HB ARG 77 1HB ARG 77 0.717 9.716 13.243 587 1HG ARG 77 1HG ARG 77 3.035 9.544 12.726 588 2HG ARG 77 1HG ARG 77 3.074 11.194 12.104 589 1HD ARG 77 1HD ARG 77 2.421 10.483 14.956 590 2HD ARG 77 1HD ARG 77 4.039 10.906 14.394 591 HE ARG 77 HE ARG 77 2.260 12.934 13.607 592 1HH1 ARG 77 1HH1 ARG 77 3.726 11.605 16.503 593 2HH1 ARG 77 2HH1 ARG 77 3.646 13.100 17.392 594 1HH2 ARG 77 1HH2 ARG 77 2.143 14.894 14.761 595 2HH2 ARG 77 2HH2 ARG 77 2.718 14.980 16.398 596 H LYS 78 H LYS 78 -0.390 8.000 10.773 597 HA LYS 78 HA LYS 78 1.812 6.257 10.587 598 1HB LYS 78 1HB LYS 78 0.280 4.615 10.222 599 2HB LYS 78 1HB LYS 78 -0.806 5.836 10.851 600 1HG LYS 78 1HG LYS 78 -0.351 5.469 7.894 601 2HG LYS 78 1HG LYS 78 -1.567 4.556 8.782 602 1HD LYS 78 1HD LYS 78 -2.611 6.677 9.477 603 2HD LYS 78 1HD LYS 78 -1.418 7.556 8.521 604 1HE LYS 78 1HE LYS 78 -3.276 7.458 7.131 605 2HE LYS 78 1HE LYS 78 -2.250 6.150 6.555 606 1HZ LYS 78 1HZ LYS 78 -4.470 5.726 8.475 607 2HZ LYS 78 2HZ LYS 78 -3.622 4.554 7.593 608 3HZ LYS 78 3HZ LYS 78 -4.672 5.619 6.796 609 H LYS 79 H LYS 79 -0.004 8.097 8.240 610 HA LYS 79 HA LYS 79 1.092 6.681 6.020 611 1HB LYS 79 1HB LYS 79 -1.146 8.211 6.386 612 2HB LYS 79 1HB LYS 79 -0.104 9.333 5.519 613 1HG LYS 79 1HG LYS 79 0.016 7.949 3.638 614 2HG LYS 79 1HG LYS 79 -0.572 6.541 4.528 615 1HD LYS 79 1HD LYS 79 -2.763 7.608 4.759 616 2HD LYS 79 1HD LYS 79 -2.176 9.017 3.872 617 1HE LYS 79 1HE LYS 79 -3.472 7.533 2.426 618 2HE LYS 79 1HE LYS 79 -1.793 7.621 1.905 619 1HZ LYS 79 1HZ LYS 79 -1.383 5.505 3.003 620 2HZ LYS 79 2HZ LYS 79 -2.609 5.350 1.853 621 3HZ LYS 79 3HZ LYS 79 -3.001 5.421 3.498 622 H GLU 80 H GLU 80 1.605 9.659 7.737 623 HA GLU 80 HA GLU 80 3.688 10.728 6.157 624 1HB GLU 80 1HB GLU 80 3.010 11.004 9.091 625 2HB GLU 80 1HB GLU 80 4.289 11.927 8.307 626 1HG GLU 80 1HG GLU 80 2.757 13.077 6.938 627 2HG GLU 80 1HG GLU 80 1.449 11.962 7.327 628 H GLN 81 H GLN 81 3.692 8.495 8.908 629 HA GLN 81 HA GLN 81 6.537 8.298 9.063 630 1HB GLN 81 1HB GLN 81 5.075 7.884 11.003 631 2HB GLN 81 1HB GLN 81 4.406 6.475 10.195 632 1HG GLN 81 1HG GLN 81 6.010 5.739 11.800 633 2HG GLN 81 1HG GLN 81 6.669 5.461 10.189 634 1HE2 GLN 81 1HE2 GLN 81 8.784 5.446 10.893 635 2HE2 GLN 81 2HE2 GLN 81 9.599 6.871 11.429 636 H LEU 82 H LEU 82 3.990 6.317 7.634 637 HA LEU 82 HA LEU 82 5.398 4.022 7.006 638 1HB LEU 82 1HB LEU 82 2.932 4.380 6.784 639 2HB LEU 82 1HB LEU 82 3.239 5.314 5.330 640 HG LEU 82 HG LEU 82 4.365 3.198 4.416 641 1HD1 LEU 82 1HD1 LEU 82 4.546 2.029 6.565 642 2HD1 LEU 82 2HD1 LEU 82 3.617 1.098 5.390 643 3HD1 LEU 82 3HD1 LEU 82 2.786 1.970 6.677 644 1HD2 LEU 82 1HD2 LEU 82 2.205 2.292 3.697 645 2HD2 LEU 82 2HD2 LEU 82 2.222 4.054 3.633 646 3HD2 LEU 82 3HD2 LEU 82 1.396 3.229 4.954 647 H VAL 83 H VAL 83 5.009 6.961 5.047 648 HA VAL 83 HA VAL 83 6.566 6.016 2.863 649 HB VAL 83 HB VAL 83 5.802 8.831 3.651 650 1HG1 VAL 83 1HG1 VAL 83 7.751 8.849 2.178 651 2HG1 VAL 83 2HG1 VAL 83 6.321 9.442 1.335 652 3HG1 VAL 83 3HG1 VAL 83 6.908 7.807 1.034 653 1HG2 VAL 83 1HG2 VAL 83 3.884 7.429 3.209 654 2HG2 VAL 83 2HG2 VAL 83 4.591 6.891 1.686 655 3HG2 VAL 83 3HG2 VAL 83 4.099 8.575 1.884 656 H SER 84 H SER 84 7.306 7.858 5.771 657 HA SER 84 HA SER 84 9.946 8.582 5.009 658 1HB SER 84 1HB SER 84 8.747 8.330 7.779 659 2HB SER 84 1HB SER 84 10.240 9.176 7.372 660 HG SER 84 HG SER 84 7.573 9.876 6.826 661 H LEU 85 H LEU 85 8.526 5.685 6.109 662 HA LEU 85 HA LEU 85 11.017 4.537 7.052 663 1HB LEU 85 1HB LEU 85 8.877 4.018 8.169 664 2HB LEU 85 1HB LEU 85 8.286 3.294 6.687 665 HG LEU 85 HG LEU 85 10.797 2.167 7.810 666 1HD1 LEU 85 1HD1 LEU 85 9.478 2.465 9.822 667 2HD1 LEU 85 2HD1 LEU 85 9.509 0.760 9.372 668 3HD1 LEU 85 3HD1 LEU 85 8.077 1.737 9.039 669 1HD2 LEU 85 1HD2 LEU 85 9.803 0.087 7.032 670 2HD2 LEU 85 2HD2 LEU 85 9.759 1.297 5.748 671 3HD2 LEU 85 3HD2 LEU 85 8.297 0.922 6.661 672 H LYS 86 H LYS 86 9.335 4.902 4.121 673 HA LYS 86 HA LYS 86 11.220 3.304 2.659 674 1HB LYS 86 1HB LYS 86 9.436 1.701 3.614 675 2HB LYS 86 1HB LYS 86 8.333 2.451 2.476 676 1HG LYS 86 1HG LYS 86 10.904 1.152 1.627 677 2HG LYS 86 1HG LYS 86 9.387 0.270 1.773 678 1HD LYS 86 1HD LYS 86 8.421 2.067 0.214 679 2HD LYS 86 1HD LYS 86 10.102 2.476 -0.129 680 1HE LYS 86 1HE LYS 86 8.848 -0.239 -0.483 681 2HE LYS 86 1HE LYS 86 9.176 0.912 -1.774 682 1HZ LYS 86 1HZ LYS 86 10.846 -0.913 -1.457 683 2HZ LYS 86 2HZ LYS 86 11.309 -0.157 -0.014 684 3HZ LYS 86 3HZ LYS 86 11.482 0.657 -1.493 685 H GLY 87 H GLY 87 11.658 4.984 1.375 686 1HA GLY 87 2HA GLY 87 10.624 5.884 -0.825 687 2HA GLY 87 1HA GLY 87 9.448 6.587 0.283 688 H GLY 88 H GLY 88 11.677 6.807 2.288 689 1HA GLY 88 2HA GLY 88 13.171 8.363 3.044 690 2HA GLY 88 1HA GLY 88 13.633 8.623 1.373 691 HA PRO 89 HA PRO 89 10.889 12.126 3.030 692 1HB PRO 89 1HB PRO 89 12.361 13.520 4.784 693 2HB PRO 89 1HB PRO 89 11.430 12.099 5.269 694 1HG PRO 89 1HG PRO 89 14.357 12.389 4.814 695 2HG PRO 89 1HG PRO 89 13.497 11.379 5.988 696 1HD PRO 89 1HD PRO 89 14.567 10.532 3.539 697 2HD PRO 89 1HD PRO 89 13.418 9.632 4.544 698 H TYR 90 H TYR 90 11.206 12.839 0.882 699 HA TYR 90 HA TYR 90 13.544 14.360 0.177 700 1HB TYR 90 1HB TYR 90 10.935 13.806 -1.224 701 2HB TYR 90 1HB TYR 90 12.152 14.879 -1.897 702 HD1 TYR 90 HD1 TYR 90 11.344 11.398 -1.058 703 HD2 TYR 90 HD2 TYR 90 14.203 14.007 -2.824 704 HE1 TYR 90 HE1 TYR 90 12.475 9.466 -2.070 705 HE2 TYR 90 HE2 TYR 90 15.343 12.078 -3.840 706 HH TYR 90 HH TYR 90 15.571 9.724 -3.583 707 H GLU 91 H GLU 91 10.446 15.012 1.545 708 HA GLU 91 HA GLU 91 10.714 17.879 0.994 709 1HB GLU 91 1HB GLU 91 8.366 18.020 1.786 710 2HB GLU 91 1HB GLU 91 8.566 16.963 0.395 711 1HG GLU 91 1HG GLU 91 8.593 15.031 1.937 712 2HG GLU 91 1HG GLU 91 8.236 16.137 3.263 713 H ASN 92 H ASN 92 11.221 15.593 3.454 714 HA ASN 92 HA ASN 92 10.811 17.478 5.630 715 1HB ASN 92 1HB ASN 92 10.388 14.894 5.665 716 2HB ASN 92 1HB ASN 92 12.120 14.786 5.938 717 1HD2 ASN 92 1HD2 ASN 92 12.329 17.157 7.570 718 2HD2 ASN 92 2HD2 ASN 92 11.575 16.788 9.082 719 H THR 93 H THR 93 12.695 18.133 3.594 720 HA THR 93 HA THR 93 15.372 17.798 4.441 721 HB THR 93 HB THR 93 15.752 19.852 2.996 722 HG1 THR 93 HG1 THR 93 14.024 20.860 2.118 723 1HG2 THR 93 1HG2 THR 93 15.117 18.721 0.893 724 2HG2 THR 93 2HG2 THR 93 14.112 17.599 1.814 725 3HG2 THR 93 3HG2 THR 93 15.864 17.607 2.037 726 H THR 94 H THR 94 12.822 20.059 5.148 727 HA THR 94 HA THR 94 14.191 20.778 7.619 728 HB THR 94 HB THR 94 14.653 22.705 6.234 729 HG1 THR 94 HG1 THR 94 13.965 24.122 7.688 730 1HG2 THR 94 1HG2 THR 94 11.693 22.789 5.643 731 2HG2 THR 94 2HG2 THR 94 12.974 22.384 4.500 732 3HG2 THR 94 3HG2 THR 94 12.871 24.013 5.168 733 H LYS 95 H LYS 95 12.765 21.049 9.343 734 HA LYS 95 HA LYS 95 10.077 20.037 8.846 735 1HB LYS 95 1HB LYS 95 11.440 19.096 10.691 736 2HB LYS 95 1HB LYS 95 11.467 20.675 11.459 737 1HG LYS 95 1HG LYS 95 8.978 20.581 11.578 738 2HG LYS 95 1HG LYS 95 9.073 18.922 10.992 739 1HD LYS 95 1HD LYS 95 10.333 18.247 12.926 740 2HD LYS 95 1HD LYS 95 10.438 19.919 13.487 741 1HE LYS 95 1HE LYS 95 8.720 18.665 14.702 742 2HE LYS 95 1HE LYS 95 8.019 19.991 13.773 743 1HZ LYS 95 1HZ LYS 95 6.666 18.058 13.482 744 2HZ LYS 95 2HZ LYS 95 8.009 17.109 13.063 745 3HZ LYS 95 3HZ LYS 95 7.488 18.337 12.028 746 H LEU 96 H LEU 96 11.471 22.954 8.682 747 HA LEU 96 HA LEU 96 10.760 25.112 8.760 748 1HB LEU 96 1HB LEU 96 8.101 23.787 9.279 749 2HB LEU 96 1HB LEU 96 8.280 25.526 9.271 750 HG LEU 96 HG LEU 96 8.926 25.483 6.916 751 1HD1 LEU 96 1HD1 LEU 96 10.053 23.334 6.806 752 2HD1 LEU 96 2HD1 LEU 96 8.766 23.418 5.603 753 3HD1 LEU 96 3HD1 LEU 96 8.525 22.499 7.088 754 1HD2 LEU 96 1HD2 LEU 96 6.781 24.712 5.985 755 2HD2 LEU 96 2HD2 LEU 96 6.582 25.685 7.443 756 3HD2 LEU 96 3HD2 LEU 96 6.421 23.929 7.524 757 H SER 97 H SER 97 8.513 23.937 11.203 758 HA SER 97 HA SER 97 10.322 24.353 13.393 759 1HB SER 97 1HB SER 97 7.933 26.201 13.063 760 2HB SER 97 1HB SER 97 8.882 26.047 14.541 761 HG SER 97 HG SER 97 10.404 26.510 12.305 762 H THR 98 H THR 98 6.793 24.616 13.120 763 HA THR 98 HA THR 98 6.243 21.893 13.589 764 HB THR 98 HB THR 98 7.068 22.491 15.879 765 HG1 THR 98 HG1 THR 98 5.223 20.943 15.307 766 1HG2 THR 98 1HG2 THR 98 4.632 24.279 15.939 767 2HG2 THR 98 2HG2 THR 98 6.315 24.808 15.982 768 3HG2 THR 98 3HG2 THR 98 5.645 23.879 17.323 769 H THR 99 H THR 99 3.976 21.478 13.435 770 HA THR 99 HA THR 99 2.485 23.755 12.399 771 HB THR 99 HB THR 99 0.755 21.982 11.835 772 HG1 THR 99 HG1 THR 99 1.986 19.802 11.760 773 1HG2 THR 99 1HG2 THR 99 2.016 21.143 9.913 774 2HG2 THR 99 2HG2 THR 99 3.525 21.642 10.676 775 3HG2 THR 99 3HG2 THR 99 2.345 22.854 10.180 Start of MODEL 8 1 H MET 6 H MET 6 -2.253 -16.485 -4.697 2 HA MET 6 HA MET 6 0.096 -17.004 -6.371 3 1HB MET 6 1HB MET 6 -1.921 -14.746 -6.474 4 2HB MET 6 1HB MET 6 -0.614 -14.997 -7.621 5 1HG MET 6 1HG MET 6 -2.874 -16.920 -7.151 6 2HG MET 6 1HG MET 6 -2.820 -15.723 -8.441 7 1HE MET 6 1HE MET 6 -3.134 -17.375 -10.392 8 2HE MET 6 2HE MET 6 -3.404 -18.645 -9.200 9 3HE MET 6 3HE MET 6 -2.284 -18.913 -10.536 10 H ASN 7 H ASN 7 0.865 -14.328 -6.820 11 HA ASN 7 HA ASN 7 2.232 -13.755 -4.298 12 1HB ASN 7 1HB ASN 7 2.572 -12.443 -7.009 13 2HB ASN 7 1HB ASN 7 3.635 -12.258 -5.618 14 1HD2 ASN 7 1HD2 ASN 7 2.554 -14.403 -8.145 15 2HD2 ASN 7 2HD2 ASN 7 3.868 -15.532 -8.021 16 H HIS 8 H HIS 8 2.152 -11.639 -3.331 17 HA HIS 8 HA HIS 8 -0.283 -10.165 -4.082 18 1HB HIS 8 1HB HIS 8 0.631 -10.728 -1.250 19 2HB HIS 8 1HB HIS 8 -0.829 -9.866 -1.722 20 HD1 HIS 8 HD1 HIS 8 -2.894 -11.276 -2.248 21 HD2 HIS 8 HD2 HIS 8 0.546 -13.554 -1.712 22 HE1 HIS 8 HE1 HIS 8 -3.665 -13.661 -2.173 23 HE2 HIS 8 HE2 HIS 8 -1.551 -15.016 -2.123 24 H TYR 9 H TYR 9 -0.026 -8.052 -4.342 25 HA TYR 9 HA TYR 9 2.367 -6.765 -3.179 26 1HB TYR 9 1HB TYR 9 0.854 -6.115 -5.713 27 2HB TYR 9 1HB TYR 9 2.053 -5.050 -4.998 28 HD1 TYR 9 HD1 TYR 9 4.437 -5.707 -4.986 29 HD2 TYR 9 HD2 TYR 9 1.483 -8.025 -6.972 30 HE1 TYR 9 HE1 TYR 9 6.203 -6.828 -6.288 31 HE2 TYR 9 HE2 TYR 9 3.227 -9.157 -8.262 32 HH TYR 9 HH TYR 9 5.504 -8.781 -9.020 33 H VAL 10 H VAL 10 2.076 -4.983 -1.932 34 HA VAL 10 HA VAL 10 -0.613 -3.767 -1.873 35 HB VAL 10 HB VAL 10 1.594 -3.085 0.060 36 1HG1 VAL 10 1HG1 VAL 10 -1.412 -2.914 0.190 37 2HG1 VAL 10 2HG1 VAL 10 -0.287 -1.576 -0.048 38 3HG1 VAL 10 3HG1 VAL 10 -0.307 -2.449 1.485 39 1HG2 VAL 10 1HG2 VAL 10 -0.450 -5.267 0.475 40 2HG2 VAL 10 2HG2 VAL 10 0.716 -4.684 1.666 41 3HG2 VAL 10 3HG2 VAL 10 1.275 -5.518 0.212 42 H TYR 11 H TYR 11 -0.775 -1.999 -3.171 43 HA TYR 11 HA TYR 11 1.694 -0.451 -3.594 44 1HB TYR 11 1HB TYR 11 1.005 0.121 -5.769 45 2HB TYR 11 1HB TYR 11 0.595 -1.580 -5.621 46 HD1 TYR 11 HD1 TYR 11 -0.666 1.782 -6.086 47 HD2 TYR 11 HD2 TYR 11 -1.794 -2.258 -5.370 48 HE1 TYR 11 HE1 TYR 11 -2.964 2.313 -6.765 49 HE2 TYR 11 HE2 TYR 11 -4.100 -1.737 -6.053 50 HH TYR 11 HH TYR 11 -4.934 1.301 -7.529 51 H ILE 12 H ILE 12 1.669 1.741 -3.316 52 HA ILE 12 HA ILE 12 -0.899 2.884 -2.471 53 HB ILE 12 HB ILE 12 0.742 2.698 -0.604 54 1HG1 ILE 12 1HG1 ILE 12 0.096 5.542 -1.390 55 2HG1 ILE 12 1HG1 ILE 12 -1.030 4.425 -0.628 56 1HG2 ILE 12 1HG2 ILE 12 2.336 4.663 -2.227 57 2HG2 ILE 12 2HG2 ILE 12 2.812 3.023 -1.781 58 3HG2 ILE 12 3HG2 ILE 12 2.643 4.264 -0.536 59 1HD1 ILE 12 1HD1 ILE 12 0.417 4.308 1.331 60 2HD1 ILE 12 2HD1 ILE 12 -0.086 5.962 0.989 61 3HD1 ILE 12 3HD1 ILE 12 1.542 5.431 0.566 62 H LEU 13 H LEU 13 -1.670 4.245 -3.911 63 HA LEU 13 HA LEU 13 0.190 5.321 -5.915 64 1HB LEU 13 1HB LEU 13 -2.024 3.870 -6.314 65 2HB LEU 13 1HB LEU 13 -2.752 5.465 -6.294 66 HG LEU 13 HG LEU 13 -1.171 6.149 -8.104 67 1HD1 LEU 13 1HD1 LEU 13 -0.501 3.205 -8.101 68 2HD1 LEU 13 2HD1 LEU 13 0.591 4.534 -7.703 69 3HD1 LEU 13 3HD1 LEU 13 -0.023 4.361 -9.347 70 1HD2 LEU 13 1HD2 LEU 13 -3.456 5.451 -8.596 71 2HD2 LEU 13 2HD2 LEU 13 -2.923 3.772 -8.705 72 3HD2 LEU 13 3HD2 LEU 13 -2.345 4.959 -9.875 73 H GLU 14 H GLU 14 0.477 7.435 -6.193 74 HA GLU 14 HA GLU 14 -0.778 9.236 -4.279 75 1HB GLU 14 1HB GLU 14 1.674 9.243 -4.548 76 2HB GLU 14 1HB GLU 14 1.482 9.696 -6.235 77 1HG GLU 14 1HG GLU 14 0.565 11.822 -5.622 78 2HG GLU 14 1HG GLU 14 0.526 11.362 -3.919 79 H CYS 15 H CYS 15 -2.499 10.324 -4.806 80 HA CYS 15 HA CYS 15 -3.082 10.887 -7.602 81 1HB CYS 15 1HB CYS 15 -4.820 10.010 -5.954 82 2HB CYS 15 1HB CYS 15 -4.776 11.602 -5.206 83 HG CYS 15 HG CYS 15 -6.129 10.654 -8.152 84 H LYS 16 H LYS 16 -4.062 13.152 -7.948 85 HA LYS 16 HA LYS 16 -2.060 14.992 -8.023 86 1HB LYS 16 1HB LYS 16 -4.008 15.264 -9.368 87 2HB LYS 16 1HB LYS 16 -5.043 15.402 -7.955 88 1HG LYS 16 1HG LYS 16 -3.988 17.537 -7.390 89 2HG LYS 16 1HG LYS 16 -2.964 17.403 -8.823 90 1HD LYS 16 1HD LYS 16 -4.861 17.534 -10.273 91 2HD LYS 16 1HD LYS 16 -5.978 17.393 -8.913 92 1HE LYS 16 1HE LYS 16 -4.049 19.672 -9.314 93 2HE LYS 16 1HE LYS 16 -5.746 19.708 -9.789 94 1HZ LYS 16 1HZ LYS 16 -5.360 20.754 -7.627 95 2HZ LYS 16 2HZ LYS 16 -4.770 19.290 -7.014 96 3HZ LYS 16 3HZ LYS 16 -6.387 19.412 -7.495 97 H ASP 17 H ASP 17 -4.638 14.935 -5.544 98 HA ASP 17 HA ASP 17 -3.435 17.259 -4.286 99 1HB ASP 17 1HB ASP 17 -5.966 15.746 -3.613 100 2HB ASP 17 1HB ASP 17 -5.450 17.255 -2.863 101 H GLY 18 H GLY 18 -2.331 14.382 -4.179 102 1HA GLY 18 2HA GLY 18 -0.797 13.545 -2.636 103 2HA GLY 18 1HA GLY 18 -1.436 14.652 -1.431 104 H SER 19 H SER 19 -3.850 12.892 -3.028 105 HA SER 19 HA SER 19 -4.447 11.403 -0.656 106 1HB SER 19 1HB SER 19 -5.742 11.195 -3.383 107 2HB SER 19 1HB SER 19 -6.414 10.646 -1.847 108 HG SER 19 HG SER 19 -7.177 12.739 -2.644 109 H TRP 20 H TRP 20 -2.795 9.947 -0.319 110 HA TRP 20 HA TRP 20 -1.940 8.144 -2.374 111 1HB TRP 20 1HB TRP 20 -1.463 8.169 0.609 112 2HB TRP 20 1HB TRP 20 -0.754 6.988 -0.483 113 HD1 TRP 20 HD TRP 20 0.123 8.916 -2.823 114 HE1 TRP 20 HE1 TRP 20 2.080 10.558 -2.475 115 HE3 TRP 20 HE3 TRP 20 0.092 9.116 2.284 116 HZ2 TRP 20 HZ2 TRP 20 3.432 11.751 -0.313 117 HZ3 TRP 20 HZ3 TRP 20 1.763 10.525 3.411 118 HH2 TRP 20 HH TRP 20 3.400 11.807 2.131 119 H TYR 21 H TYR 21 -2.923 6.359 -2.998 120 HA TYR 21 HA TYR 21 -5.054 5.277 -1.294 121 1HB TYR 21 1HB TYR 21 -5.790 5.849 -3.536 122 2HB TYR 21 1HB TYR 21 -4.494 4.889 -4.244 123 HD1 TYR 21 HD1 TYR 21 -7.333 4.453 -1.848 124 HD2 TYR 21 HD2 TYR 21 -5.045 2.791 -5.024 125 HE1 TYR 21 HE1 TYR 21 -8.802 2.482 -1.866 126 HE2 TYR 21 HE2 TYR 21 -6.512 0.817 -5.055 127 HH TYR 21 HH TYR 21 -9.486 0.697 -3.393 128 H THR 22 H THR 22 -4.357 3.731 0.008 129 HA THR 22 HA THR 22 -2.247 1.913 -0.814 130 HB THR 22 HB THR 22 -3.879 1.801 1.732 131 HG1 THR 22 HG1 THR 22 -1.531 3.300 1.114 132 1HG2 THR 22 1HG2 THR 22 -1.096 0.847 1.044 133 2HG2 THR 22 2HG2 THR 22 -2.518 -0.177 1.246 134 3HG2 THR 22 3HG2 THR 22 -1.866 0.712 2.623 135 H GLY 23 H GLY 23 -3.013 0.569 -2.381 136 1HA GLY 23 2HA GLY 23 -5.607 -0.755 -1.876 137 2HA GLY 23 1HA GLY 23 -4.997 -0.364 -3.475 138 H TYR 24 H TYR 24 -5.801 -2.805 -3.240 139 HA TYR 24 HA TYR 24 -3.451 -4.468 -2.614 140 1HB TYR 24 1HB TYR 24 -5.292 -5.075 -1.200 141 2HB TYR 24 1HB TYR 24 -6.409 -5.085 -2.560 142 HD1 TYR 24 HD1 TYR 24 -3.355 -6.821 -1.294 143 HD2 TYR 24 HD2 TYR 24 -6.920 -7.085 -3.601 144 HE1 TYR 24 HE1 TYR 24 -2.980 -9.230 -1.584 145 HE2 TYR 24 HE2 TYR 24 -6.560 -9.498 -3.891 146 HH TYR 24 HH TYR 24 -4.850 -11.127 -3.790 147 H THR 25 H THR 25 -2.659 -5.846 -4.144 148 HA THR 25 HA THR 25 -4.192 -6.404 -6.552 149 HB THR 25 HB THR 25 -1.439 -5.142 -6.716 150 HG1 THR 25 HG1 THR 25 -3.859 -4.031 -6.521 151 1HG2 THR 25 1HG2 THR 25 -1.880 -5.117 -9.154 152 2HG2 THR 25 2HG2 THR 25 -3.359 -6.037 -8.878 153 3HG2 THR 25 3HG2 THR 25 -1.791 -6.753 -8.503 154 H THR 26 H THR 26 -3.645 -8.355 -7.465 155 HA THR 26 HA THR 26 -1.838 -10.124 -6.123 156 HB THR 26 HB THR 26 -2.809 -10.602 -8.926 157 HG1 THR 26 HG1 THR 26 -4.361 -10.323 -6.606 158 1HG2 THR 26 1HG2 THR 26 -1.394 -12.285 -7.816 159 2HG2 THR 26 2HG2 THR 26 -3.019 -12.903 -8.116 160 3HG2 THR 26 3HG2 THR 26 -2.558 -12.384 -6.494 161 H ASP 27 H ASP 27 -0.258 -11.340 -7.936 162 HA ASP 27 HA ASP 27 1.781 -9.426 -8.319 163 1HB ASP 27 1HB ASP 27 2.964 -11.262 -9.557 164 2HB ASP 27 1HB ASP 27 2.449 -11.676 -7.928 165 H VAL 28 H VAL 28 2.679 -8.582 -10.155 166 HA VAL 28 HA VAL 28 0.917 -7.673 -12.130 167 HB VAL 28 HB VAL 28 3.930 -7.771 -12.340 168 1HG1 VAL 28 1HG1 VAL 28 2.841 -7.172 -14.419 169 2HG1 VAL 28 2HG1 VAL 28 3.634 -5.758 -13.724 170 3HG1 VAL 28 3HG1 VAL 28 1.885 -5.943 -13.589 171 1HG2 VAL 28 1HG2 VAL 28 3.263 -6.785 -10.209 172 2HG2 VAL 28 2HG2 VAL 28 2.188 -5.672 -11.056 173 3HG2 VAL 28 3HG2 VAL 28 3.932 -5.565 -11.292 174 H ASP 29 H ASP 29 2.755 -10.552 -11.862 175 HA ASP 29 HA ASP 29 3.092 -11.198 -14.586 176 1HB ASP 29 1HB ASP 29 4.276 -12.242 -12.611 177 2HB ASP 29 1HB ASP 29 2.797 -13.144 -12.293 178 H ARG 30 H ARG 30 0.553 -11.957 -12.234 179 HA ARG 30 HA ARG 30 -1.188 -13.369 -13.891 180 1HB ARG 30 1HB ARG 30 -1.863 -13.389 -11.685 181 2HB ARG 30 1HB ARG 30 -1.491 -11.692 -11.442 182 1HG ARG 30 1HG ARG 30 -3.498 -11.024 -12.562 183 2HG ARG 30 1HG ARG 30 -3.840 -12.689 -13.038 184 1HD ARG 30 1HD ARG 30 -3.646 -11.772 -10.175 185 2HD ARG 30 1HD ARG 30 -5.159 -11.818 -11.078 186 HE ARG 30 HE ARG 30 -4.060 -14.341 -11.299 187 1HH1 ARG 30 1HH1 ARG 30 -5.140 -12.263 -8.699 188 2HH1 ARG 30 2HH1 ARG 30 -5.590 -13.577 -7.664 189 1HH2 ARG 30 1HH2 ARG 30 -4.692 -16.079 -9.940 190 2HH2 ARG 30 2HH2 ARG 30 -5.322 -15.740 -8.351 191 H ARG 31 H ARG 31 -0.721 -9.891 -13.534 192 HA ARG 31 HA ARG 31 -2.987 -9.170 -15.123 193 1HB ARG 31 1HB ARG 31 -0.592 -7.538 -14.256 194 2HB ARG 31 1HB ARG 31 -2.028 -6.881 -15.030 195 1HG ARG 31 1HG ARG 31 -2.156 -8.408 -12.446 196 2HG ARG 31 1HG ARG 31 -1.874 -6.669 -12.506 197 1HD ARG 31 1HD ARG 31 -4.217 -7.900 -13.913 198 2HD ARG 31 1HD ARG 31 -4.291 -7.532 -12.191 199 HE ARG 31 HE ARG 31 -3.477 -5.364 -13.964 200 1HH1 ARG 31 1HH1 ARG 31 -6.081 -6.912 -12.201 201 2HH1 ARG 31 2HH1 ARG 31 -7.034 -5.462 -12.081 202 1HH2 ARG 31 1HH2 ARG 31 -4.727 -3.458 -13.812 203 2HH2 ARG 31 2HH2 ARG 31 -6.273 -3.495 -13.026 204 H ILE 32 H ILE 32 0.533 -9.196 -15.725 205 HA ILE 32 HA ILE 32 0.370 -8.183 -18.341 206 HB ILE 32 HB ILE 32 2.472 -8.144 -17.157 207 1HG1 ILE 32 1HG1 ILE 32 2.680 -9.919 -19.593 208 2HG1 ILE 32 1HG1 ILE 32 2.493 -8.169 -19.628 209 1HG2 ILE 32 1HG2 ILE 32 2.421 -11.148 -17.340 210 2HG2 ILE 32 2HG2 ILE 32 2.350 -10.169 -15.874 211 3HG2 ILE 32 3HG2 ILE 32 3.820 -10.191 -16.849 212 1HD1 ILE 32 1HD1 ILE 32 4.798 -8.809 -20.003 213 2HD1 ILE 32 2HD1 ILE 32 4.824 -9.674 -18.467 214 3HD1 ILE 32 3HD1 ILE 32 4.636 -7.922 -18.487 215 H LYS 33 H LYS 33 0.543 -11.582 -17.220 216 HA LYS 33 HA LYS 33 0.438 -12.730 -19.780 217 1HB LYS 33 1HB LYS 33 1.027 -14.012 -17.748 218 2HB LYS 33 1HB LYS 33 -0.653 -13.915 -17.221 219 1HG LYS 33 1HG LYS 33 -1.334 -15.108 -19.267 220 2HG LYS 33 1HG LYS 33 0.363 -15.256 -19.717 221 1HD LYS 33 1HD LYS 33 0.797 -16.575 -17.720 222 2HD LYS 33 1HD LYS 33 -0.885 -16.394 -17.216 223 1HE LYS 33 1HE LYS 33 -1.607 -17.552 -19.254 224 2HE LYS 33 1HE LYS 33 0.075 -17.754 -19.733 225 1HZ LYS 33 1HZ LYS 33 -1.154 -18.881 -17.276 226 2HZ LYS 33 2HZ LYS 33 0.446 -19.113 -17.785 227 3HZ LYS 33 3HZ LYS 33 -0.832 -19.750 -18.695 228 H LYS 34 H LYS 34 -2.110 -11.648 -17.604 229 HA LYS 34 HA LYS 34 -4.320 -12.753 -18.899 230 1HB LYS 34 1HB LYS 34 -4.403 -11.640 -16.688 231 2HB LYS 34 1HB LYS 34 -4.163 -10.087 -17.476 232 1HG LYS 34 1HG LYS 34 -6.274 -10.329 -18.641 233 2HG LYS 34 1HG LYS 34 -6.512 -11.918 -17.909 234 1HD LYS 34 1HD LYS 34 -6.527 -10.882 -15.689 235 2HD LYS 34 1HD LYS 34 -6.304 -9.295 -16.430 236 1HE LYS 34 1HE LYS 34 -8.643 -9.675 -15.857 237 2HE LYS 34 1HE LYS 34 -8.430 -9.540 -17.602 238 1HZ LYS 34 1HZ LYS 34 -9.921 -11.356 -16.958 239 2HZ LYS 34 2HZ LYS 34 -8.653 -12.103 -16.116 240 3HZ LYS 34 3HZ LYS 34 -8.561 -11.923 -17.800 241 H HIS 35 H HIS 35 -2.499 -9.822 -19.554 242 HA HIS 35 HA HIS 35 -4.223 -8.833 -21.589 243 1HB HIS 35 1HB HIS 35 -1.271 -8.315 -21.140 244 2HB HIS 35 1HB HIS 35 -2.313 -7.390 -22.217 245 HD1 HIS 35 HD1 HIS 35 -0.873 -5.913 -19.997 246 HD2 HIS 35 HD2 HIS 35 -4.678 -7.546 -19.577 247 HE1 HIS 35 HE1 HIS 35 -1.939 -4.677 -18.081 248 HE2 HIS 35 HE2 HIS 35 -4.190 -5.776 -17.755 249 H ALA 36 H ALA 36 -1.287 -10.806 -21.612 250 HA ALA 36 HA ALA 36 -1.060 -11.154 -24.387 251 1HB ALA 36 1HB ALA 36 0.726 -11.719 -22.813 252 2HB ALA 36 2HB ALA 36 0.334 -13.082 -23.859 253 3HB ALA 36 3HB ALA 36 -0.243 -13.055 -22.192 254 H SER 37 H SER 37 -2.991 -12.832 -21.969 255 HA SER 37 HA SER 37 -3.898 -14.928 -23.644 256 1HB SER 37 1HB SER 37 -5.314 -13.696 -21.272 257 2HB SER 37 1HB SER 37 -5.582 -15.303 -21.940 258 HG SER 37 HG SER 37 -3.364 -15.775 -21.385 259 H GLY 38 H GLY 38 -4.929 -11.632 -23.108 260 1HA GLY 38 2HA GLY 38 -7.444 -11.974 -24.468 261 2HA GLY 38 1HA GLY 38 -6.755 -10.455 -23.913 262 H LYS 39 H LYS 39 -4.216 -11.211 -25.360 263 HA LYS 39 HA LYS 39 -3.185 -10.934 -27.350 264 1HB LYS 39 1HB LYS 39 -5.901 -11.567 -28.510 265 2HB LYS 39 1HB LYS 39 -4.436 -11.373 -29.464 266 1HG LYS 39 1HG LYS 39 -3.415 -13.249 -28.259 267 2HG LYS 39 1HG LYS 39 -4.903 -13.451 -27.333 268 1HD LYS 39 1HD LYS 39 -6.127 -13.959 -29.362 269 2HD LYS 39 1HD LYS 39 -4.684 -13.664 -30.336 270 1HE LYS 39 1HE LYS 39 -4.986 -15.804 -28.231 271 2HE LYS 39 1HE LYS 39 -5.077 -16.061 -29.974 272 1HZ LYS 39 1HZ LYS 39 -2.794 -15.413 -30.195 273 2HZ LYS 39 2HZ LYS 39 -2.895 -16.611 -29.003 274 3HZ LYS 39 3HZ LYS 39 -2.688 -14.990 -28.554 275 H GLY 40 H GLY 40 -6.416 -9.518 -27.945 276 1HA GLY 40 2HA GLY 40 -5.331 -7.185 -29.173 277 2HA GLY 40 1HA GLY 40 -6.999 -7.405 -28.658 278 H ALA 41 H ALA 41 -7.289 -7.369 -26.226 279 HA ALA 41 HA ALA 41 -7.310 -6.166 -24.301 280 1HB ALA 41 1HB ALA 41 -5.229 -5.949 -23.128 281 2HB ALA 41 2HB ALA 41 -4.316 -6.144 -24.623 282 3HB ALA 41 3HB ALA 41 -5.252 -7.494 -23.979 283 H LYS 42 H LYS 42 -8.354 -4.305 -24.990 284 HA LYS 42 HA LYS 42 -6.921 -2.176 -26.269 285 1HB LYS 42 1HB LYS 42 -9.678 -2.227 -25.037 286 2HB LYS 42 1HB LYS 42 -9.024 -0.894 -25.983 287 1HG LYS 42 1HG LYS 42 -8.764 -2.458 -27.892 288 2HG LYS 42 1HG LYS 42 -9.593 -3.692 -26.938 289 1HD LYS 42 1HD LYS 42 -11.566 -2.256 -26.792 290 2HD LYS 42 1HD LYS 42 -10.729 -1.003 -27.713 291 1HE LYS 42 1HE LYS 42 -10.521 -2.577 -29.598 292 2HE LYS 42 1HE LYS 42 -11.447 -3.764 -28.676 293 1HZ LYS 42 1HZ LYS 42 -13.283 -2.137 -28.599 294 2HZ LYS 42 2HZ LYS 42 -12.897 -2.632 -30.174 295 3HZ LYS 42 3HZ LYS 42 -12.389 -1.112 -29.617 296 H TYR 43 H TYR 43 -6.252 -0.244 -25.430 297 HA TYR 43 HA TYR 43 -5.397 -0.340 -22.725 298 1HB TYR 43 1HB TYR 43 -4.432 1.925 -23.209 299 2HB TYR 43 1HB TYR 43 -3.913 0.658 -24.309 300 HD1 TYR 43 HD1 TYR 43 -5.028 0.542 -26.608 301 HD2 TYR 43 HD2 TYR 43 -5.417 3.895 -24.015 302 HE1 TYR 43 HE1 TYR 43 -5.700 1.936 -28.520 303 HE2 TYR 43 HE2 TYR 43 -6.099 5.293 -25.916 304 HH TYR 43 HH TYR 43 -6.960 3.999 -28.944 305 H THR 44 H THR 44 -7.051 -0.287 -21.307 306 HA THR 44 HA THR 44 -8.705 2.145 -21.305 307 HB THR 44 HB THR 44 -10.211 0.829 -19.753 308 HG1 THR 44 HG1 THR 44 -8.507 -0.801 -19.344 309 1HG2 THR 44 1HG2 THR 44 -9.816 -0.261 -22.544 310 2HG2 THR 44 2HG2 THR 44 -10.772 1.158 -22.109 311 3HG2 THR 44 3HG2 THR 44 -11.272 -0.444 -21.564 312 H ARG 45 H ARG 45 -7.526 3.569 -20.145 313 HA ARG 45 HA ARG 45 -6.244 2.774 -17.660 314 1HB ARG 45 1HB ARG 45 -6.367 5.320 -19.251 315 2HB ARG 45 1HB ARG 45 -5.784 5.332 -17.592 316 1HG ARG 45 1HG ARG 45 -3.992 3.856 -18.131 317 2HG ARG 45 1HG ARG 45 -4.646 3.571 -19.745 318 1HD ARG 45 1HD ARG 45 -2.708 5.147 -19.669 319 2HD ARG 45 1HD ARG 45 -4.157 5.799 -20.423 320 HE ARG 45 HE ARG 45 -4.532 7.080 -18.394 321 1HH1 ARG 45 1HH1 ARG 45 -1.406 5.549 -18.624 322 2HH1 ARG 45 2HH1 ARG 45 -0.574 6.781 -17.721 323 1HH2 ARG 45 1HH2 ARG 45 -3.460 8.726 -17.184 324 2HH2 ARG 45 2HH2 ARG 45 -1.747 8.602 -16.916 325 H GLY 46 H GLY 46 -6.637 4.054 -15.666 326 1HA GLY 46 2HA GLY 46 -9.458 4.238 -15.115 327 2HA GLY 46 1HA GLY 46 -8.152 4.558 -13.984 328 H ARG 47 H ARG 47 -8.413 6.553 -13.196 329 HA ARG 47 HA ARG 47 -9.178 8.679 -15.084 330 1HB ARG 47 1HB ARG 47 -10.653 8.337 -13.102 331 2HB ARG 47 1HB ARG 47 -9.296 8.744 -12.065 332 1HG ARG 47 1HG ARG 47 -10.811 10.631 -12.353 333 2HG ARG 47 1HG ARG 47 -9.210 10.980 -13.015 334 1HD ARG 47 1HD ARG 47 -10.006 10.515 -15.256 335 2HD ARG 47 1HD ARG 47 -11.587 10.061 -14.626 336 HE ARG 47 HE ARG 47 -11.727 12.448 -13.841 337 1HH1 ARG 47 1HH1 ARG 47 -9.750 11.535 -16.588 338 2HH1 ARG 47 2HH1 ARG 47 -9.894 13.079 -17.376 339 1HH2 ARG 47 1HH2 ARG 47 -11.932 14.477 -14.884 340 2HH2 ARG 47 2HH2 ARG 47 -11.137 14.742 -16.403 341 H GLY 48 H GLY 48 -7.358 8.663 -12.018 342 1HA GLY 48 2HA GLY 48 -4.908 8.908 -12.116 343 2HA GLY 48 1HA GLY 48 -5.160 10.010 -13.463 344 HA PRO 49 HA PRO 49 -3.237 11.042 -12.950 345 1HB PRO 49 1HB PRO 49 -1.633 12.119 -10.738 346 2HB PRO 49 1HB PRO 49 -1.748 12.675 -12.408 347 1HG PRO 49 1HG PRO 49 -2.785 14.092 -10.376 348 2HG PRO 49 1HG PRO 49 -3.564 14.036 -11.970 349 1HD PRO 49 1HD PRO 49 -4.248 12.519 -9.476 350 2HD PRO 49 1HD PRO 49 -5.329 13.339 -10.622 351 H PHE 50 H PHE 50 -1.326 9.682 -12.744 352 HA PHE 50 HA PHE 50 -1.598 7.758 -10.531 353 1HB PHE 50 1HB PHE 50 -0.668 7.222 -13.360 354 2HB PHE 50 1HB PHE 50 -0.789 6.030 -12.076 355 HD1 PHE 50 HD1 PHE 50 -2.486 7.678 -14.745 356 HD2 PHE 50 HD2 PHE 50 -3.092 5.548 -11.112 357 HE1 PHE 50 HE1 PHE 50 -4.803 7.194 -15.418 358 HE2 PHE 50 HE2 PHE 50 -5.413 5.068 -11.777 359 HZ PHE 50 HZ PHE 50 -6.268 5.893 -13.934 360 H ARG 51 H ARG 51 -0.010 8.521 -9.153 361 HA ARG 51 HA ARG 51 2.725 8.257 -10.226 362 1HB ARG 51 1HB ARG 51 1.615 10.127 -8.161 363 2HB ARG 51 1HB ARG 51 3.298 9.630 -8.066 364 1HG ARG 51 1HG ARG 51 3.671 10.486 -10.332 365 2HG ARG 51 1HG ARG 51 1.987 11.007 -10.402 366 1HD ARG 51 1HD ARG 51 2.316 12.596 -8.665 367 2HD ARG 51 1HD ARG 51 3.909 11.941 -8.283 368 HE ARG 51 HE ARG 51 4.529 12.740 -10.610 369 1HH1 ARG 51 1HH1 ARG 51 2.110 14.338 -8.635 370 2HH1 ARG 51 2HH1 ARG 51 2.315 15.882 -9.410 371 1HH2 ARG 51 1HH2 ARG 51 4.838 14.749 -11.592 372 2HH2 ARG 51 2HH2 ARG 51 3.888 16.120 -11.097 373 H LEU 52 H LEU 52 3.658 6.432 -9.601 374 HA LEU 52 HA LEU 52 2.571 4.952 -7.371 375 1HB LEU 52 1HB LEU 52 3.272 3.814 -9.433 376 2HB LEU 52 1HB LEU 52 4.925 4.339 -9.160 377 HG LEU 52 HG LEU 52 4.970 3.002 -7.070 378 1HD1 LEU 52 1HD1 LEU 52 2.286 1.997 -8.012 379 2HD1 LEU 52 2HD1 LEU 52 2.561 3.028 -6.607 380 3HD1 LEU 52 3HD1 LEU 52 3.205 1.385 -6.637 381 1HD2 LEU 52 1HD2 LEU 52 4.222 1.465 -9.556 382 2HD2 LEU 52 2HD2 LEU 52 5.104 0.825 -8.167 383 3HD2 LEU 52 3HD2 LEU 52 5.825 2.086 -9.168 384 H VAL 53 H VAL 53 3.119 5.483 -5.366 385 HA VAL 53 HA VAL 53 5.570 6.885 -4.792 386 HB VAL 53 HB VAL 53 3.614 5.765 -2.790 387 1HG1 VAL 53 1HG1 VAL 53 5.606 8.021 -2.632 388 2HG1 VAL 53 2HG1 VAL 53 5.698 6.467 -1.803 389 3HG1 VAL 53 3HG1 VAL 53 4.433 7.618 -1.377 390 1HG2 VAL 53 1HG2 VAL 53 3.550 8.442 -4.162 391 2HG2 VAL 53 2HG2 VAL 53 2.505 7.941 -2.832 392 3HG2 VAL 53 3HG2 VAL 53 2.403 7.125 -4.393 393 H ALA 54 H ALA 54 4.175 3.735 -3.891 394 HA ALA 54 HA ALA 54 6.749 2.479 -4.019 395 1HB ALA 54 1HB ALA 54 6.890 3.511 -1.798 396 2HB ALA 54 2HB ALA 54 6.874 1.750 -1.710 397 3HB ALA 54 3HB ALA 54 5.417 2.664 -1.320 398 H THR 55 H THR 55 6.614 0.154 -3.509 399 HA THR 55 HA THR 55 3.922 -0.971 -3.435 400 HB THR 55 HB THR 55 5.913 -1.779 -5.572 401 HG1 THR 55 HG1 THR 55 4.244 0.276 -5.538 402 1HG2 THR 55 1HG2 THR 55 3.050 -2.609 -5.077 403 2HG2 THR 55 2HG2 THR 55 4.479 -3.608 -4.807 404 3HG2 THR 55 3HG2 THR 55 4.043 -3.115 -6.444 405 H TRP 56 H TRP 56 3.902 -2.577 -1.996 406 HA TRP 56 HA TRP 56 6.480 -3.772 -1.226 407 1HB TRP 56 1HB TRP 56 3.891 -3.535 0.322 408 2HB TRP 56 1HB TRP 56 5.331 -4.362 0.905 409 HD1 TRP 56 HD TRP 56 7.343 -2.870 1.770 410 HE1 TRP 56 HE1 TRP 56 7.541 -0.369 2.344 411 HE3 TRP 56 HE3 TRP 56 3.023 -1.186 -0.390 412 HZ2 TRP 56 HZ2 TRP 56 6.063 1.993 1.951 413 HZ3 TRP 56 HZ3 TRP 56 2.489 1.211 -0.237 414 HH2 TRP 56 HH TRP 56 3.983 2.767 0.911 415 H ALA 57 H ALA 57 6.860 -5.822 -1.678 416 HA ALA 57 HA ALA 57 4.654 -7.459 -2.714 417 1HB ALA 57 1HB ALA 57 6.620 -7.149 -4.154 418 2HB ALA 57 2HB ALA 57 6.378 -8.842 -3.721 419 3HB ALA 57 3HB ALA 57 7.632 -7.896 -2.918 420 H PHE 58 H PHE 58 3.803 -8.997 -1.501 421 HA PHE 58 HA PHE 58 5.513 -10.345 0.484 422 1HB PHE 58 1HB PHE 58 2.588 -9.651 0.845 423 2HB PHE 58 1HB PHE 58 3.569 -10.578 1.973 424 HD1 PHE 58 HD1 PHE 58 2.518 -7.316 0.958 425 HD2 PHE 58 HD2 PHE 58 5.553 -9.441 3.049 426 HE1 PHE 58 HE1 PHE 58 3.192 -5.237 2.083 427 HE2 PHE 58 HE2 PHE 58 6.237 -7.363 4.176 428 HZ PHE 58 HZ PHE 58 5.053 -5.259 3.695 429 HA PRO 59 HA PRO 59 4.125 -13.808 -2.019 430 1HB PRO 59 1HB PRO 59 5.805 -15.367 -0.183 431 2HB PRO 59 1HB PRO 59 5.947 -15.162 -1.932 432 1HG PRO 59 1HG PRO 59 7.711 -14.050 -0.236 433 2HG PRO 59 1HG PRO 59 7.219 -13.243 -1.739 434 1HD PRO 59 1HD PRO 59 6.272 -12.758 1.072 435 2HD PRO 59 1HD PRO 59 6.714 -11.580 -0.185 436 H SER 60 H SER 60 3.498 -13.068 1.195 437 HA SER 60 HA SER 60 1.934 -15.529 1.573 438 1HB SER 60 1HB SER 60 3.628 -15.240 3.310 439 2HB SER 60 1HB SER 60 3.017 -13.623 3.662 440 HG SER 60 HG SER 60 2.207 -15.219 5.118 441 H LYS 61 H LYS 61 -0.212 -15.389 1.684 442 HA LYS 61 HA LYS 61 -1.599 -12.981 1.200 443 1HB LYS 61 1HB LYS 61 -3.632 -14.240 1.658 444 2HB LYS 61 1HB LYS 61 -2.541 -15.193 0.664 445 1HG LYS 61 1HG LYS 61 -1.854 -16.464 2.627 446 2HG LYS 61 1HG LYS 61 -2.940 -15.500 3.631 447 1HD LYS 61 1HD LYS 61 -4.853 -16.310 2.338 448 2HD LYS 61 1HD LYS 61 -3.770 -17.265 1.323 449 1HE LYS 61 1HE LYS 61 -4.730 -18.726 2.951 450 2HE LYS 61 1HE LYS 61 -3.041 -18.478 3.380 451 1HZ LYS 61 1HZ LYS 61 -5.462 -17.473 4.716 452 2HZ LYS 61 2HZ LYS 61 -4.011 -16.612 4.871 453 3HZ LYS 61 3HZ LYS 61 -4.097 -18.222 5.391 454 H GLU 62 H GLU 62 -0.577 -14.586 4.117 455 HA GLU 62 HA GLU 62 -2.315 -13.343 5.953 456 1HB GLU 62 1HB GLU 62 -0.820 -15.364 6.342 457 2HB GLU 62 1HB GLU 62 0.510 -14.231 6.529 458 1HG GLU 62 1HG GLU 62 -0.376 -14.939 8.676 459 2HG GLU 62 1HG GLU 62 -0.584 -13.206 8.425 460 H GLU 63 H GLU 63 1.019 -12.582 5.014 461 HA GLU 63 HA GLU 63 1.249 -10.230 6.531 462 1HB GLU 63 1HB GLU 63 2.696 -11.136 4.040 463 2HB GLU 63 1HB GLU 63 3.127 -9.684 4.931 464 1HG GLU 63 1HG GLU 63 3.430 -11.145 6.953 465 2HG GLU 63 1HG GLU 63 3.254 -12.530 5.875 466 H ALA 64 H ALA 64 0.191 -10.799 3.208 467 HA ALA 64 HA ALA 64 -0.017 -8.139 2.372 468 1HB ALA 64 1HB ALA 64 -1.583 -8.976 0.683 469 2HB ALA 64 2HB ALA 64 -1.672 -10.512 1.544 470 3HB ALA 64 3HB ALA 64 -0.150 -9.994 0.821 471 H MET 65 H MET 65 -2.473 -10.245 3.861 472 HA MET 65 HA MET 65 -4.535 -8.299 3.851 473 1HB MET 65 1HB MET 65 -4.175 -10.710 5.641 474 2HB MET 65 1HB MET 65 -5.659 -9.782 5.473 475 1HG MET 65 1HG MET 65 -5.885 -10.453 3.185 476 2HG MET 65 1HG MET 65 -4.307 -11.242 3.220 477 1HE MET 65 1HE MET 65 -6.669 -14.315 2.938 478 2HE MET 65 2HE MET 65 -5.230 -13.515 2.305 479 3HE MET 65 3HE MET 65 -6.812 -12.755 2.130 480 H ARG 66 H ARG 66 -2.125 -9.245 6.232 481 HA ARG 66 HA ARG 66 -3.222 -7.731 8.370 482 1HB ARG 66 1HB ARG 66 -1.794 -9.707 8.698 483 2HB ARG 66 1HB ARG 66 -0.436 -8.841 7.998 484 1HG ARG 66 1HG ARG 66 -0.404 -7.298 9.830 485 2HG ARG 66 1HG ARG 66 -1.881 -7.998 10.498 486 1HD ARG 66 1HD ARG 66 -0.734 -10.113 10.871 487 2HD ARG 66 1HD ARG 66 0.736 -9.459 10.145 488 HE ARG 66 HE ARG 66 0.732 -7.823 12.026 489 1HH1 ARG 66 1HH1 ARG 66 -0.914 -10.904 12.369 490 2HH1 ARG 66 2HH1 ARG 66 -0.778 -10.911 14.099 491 1HH2 ARG 66 1HH2 ARG 66 0.907 -7.837 14.277 492 2HH2 ARG 66 2HH2 ARG 66 0.251 -9.167 15.194 493 H TRP 67 H TRP 67 -0.530 -7.181 6.131 494 HA TRP 67 HA TRP 67 0.437 -4.815 7.265 495 1HB TRP 67 1HB TRP 67 1.497 -6.279 5.450 496 2HB TRP 67 1HB TRP 67 0.459 -5.430 4.307 497 HD1 TRP 67 HD TRP 67 3.632 -5.058 6.304 498 HE1 TRP 67 HE1 TRP 67 4.793 -2.839 5.694 499 HE3 TRP 67 HE3 TRP 67 -0.087 -2.969 3.506 500 HZ2 TRP 67 HZ2 TRP 67 4.199 -0.521 4.196 501 HZ3 TRP 67 HZ3 TRP 67 0.291 -0.756 2.511 502 HH2 TRP 67 HH TRP 67 2.384 0.438 2.846 503 H GLU 68 H GLU 68 -1.817 -5.271 4.551 504 HA GLU 68 HA GLU 68 -2.329 -2.573 4.032 505 1HB GLU 68 1HB GLU 68 -2.979 -4.628 2.662 506 2HB GLU 68 1HB GLU 68 -4.359 -4.778 3.738 507 1HG GLU 68 1HG GLU 68 -4.851 -2.340 3.106 508 2HG GLU 68 1HG GLU 68 -3.741 -2.620 1.765 509 H TYR 69 H TYR 69 -4.070 -4.897 6.043 510 HA TYR 69 HA TYR 69 -6.149 -3.328 6.958 511 1HB TYR 69 1HB TYR 69 -5.981 -5.730 7.406 512 2HB TYR 69 1HB TYR 69 -4.606 -5.453 8.466 513 HD1 TYR 69 HD1 TYR 69 -8.243 -5.075 8.103 514 HD2 TYR 69 HD2 TYR 69 -4.914 -4.672 10.721 515 HE1 TYR 69 HE1 TYR 69 -9.775 -4.854 10.011 516 HE2 TYR 69 HE2 TYR 69 -6.439 -4.452 12.635 517 HH TYR 69 HH TYR 69 -9.754 -5.169 12.440 518 H GLU 70 H GLU 70 -2.937 -3.733 8.417 519 HA GLU 70 HA GLU 70 -3.381 -2.096 10.639 520 1HB GLU 70 1HB GLU 70 -1.485 -3.709 10.321 521 2HB GLU 70 1HB GLU 70 -0.738 -2.540 9.244 522 1HG GLU 70 1HG GLU 70 -0.600 -0.931 11.056 523 2HG GLU 70 1HG GLU 70 -1.394 -2.068 12.142 524 H VAL 71 H VAL 71 -1.817 -1.306 7.537 525 HA VAL 71 HA VAL 71 -1.297 1.391 8.127 526 HB VAL 71 HB VAL 71 -1.722 0.110 5.420 527 1HG1 VAL 71 1HG1 VAL 71 -1.922 2.530 5.273 528 2HG1 VAL 71 2HG1 VAL 71 -0.401 2.001 4.553 529 3HG1 VAL 71 3HG1 VAL 71 -0.411 2.728 6.160 530 1HG2 VAL 71 1HG2 VAL 71 0.055 -0.976 6.644 531 2HG2 VAL 71 2HG2 VAL 71 0.772 0.582 7.052 532 3HG2 VAL 71 3HG2 VAL 71 0.755 0.032 5.377 533 H LYS 72 H LYS 72 -4.115 -0.159 6.639 534 HA LYS 72 HA LYS 72 -5.484 2.187 5.911 535 1HB LYS 72 1HB LYS 72 -6.244 -0.640 6.361 536 2HB LYS 72 1HB LYS 72 -7.543 0.542 6.437 537 1HG LYS 72 1HG LYS 72 -6.870 1.348 4.187 538 2HG LYS 72 1HG LYS 72 -5.689 0.037 4.113 539 1HD LYS 72 1HD LYS 72 -7.378 -1.613 4.151 540 2HD LYS 72 1HD LYS 72 -8.610 -0.449 4.637 541 1HE LYS 72 1HE LYS 72 -8.930 -0.974 2.322 542 2HE LYS 72 1HE LYS 72 -8.327 0.679 2.437 543 1HZ LYS 72 1HZ LYS 72 -6.123 -0.129 1.865 544 2HZ LYS 72 2HZ LYS 72 -7.237 -0.557 0.666 545 3HZ LYS 72 3HZ LYS 72 -6.699 -1.722 1.777 546 H HIS 73 H HIS 73 -5.132 0.583 8.992 547 HA HIS 73 HA HIS 73 -7.261 2.223 10.156 548 1HB HIS 73 1HB HIS 73 -5.716 -0.145 11.211 549 2HB HIS 73 1HB HIS 73 -6.804 0.802 12.219 550 HD1 HIS 73 HD1 HIS 73 -8.984 -0.355 12.458 551 HD2 HIS 73 HD2 HIS 73 -7.325 -0.933 8.682 552 HE1 HIS 73 HE1 HIS 73 -10.639 -1.767 11.189 553 HE2 HIS 73 HE2 HIS 73 -9.635 -2.074 8.892 554 H LEU 74 H LEU 74 -4.155 2.712 9.480 555 HA LEU 74 HA LEU 74 -3.304 3.872 11.988 556 1HB LEU 74 1HB LEU 74 -2.111 3.878 9.217 557 2HB LEU 74 1HB LEU 74 -1.397 4.749 10.560 558 HG LEU 74 HG LEU 74 -1.796 1.762 10.411 559 1HD1 LEU 74 1HD1 LEU 74 -0.044 2.550 8.927 560 2HD1 LEU 74 2HD1 LEU 74 0.646 1.694 10.308 561 3HD1 LEU 74 3HD1 LEU 74 0.690 3.457 10.250 562 1HD2 LEU 74 1HD2 LEU 74 -2.001 2.486 12.692 563 2HD2 LEU 74 2HD2 LEU 74 -0.580 3.519 12.537 564 3HD2 LEU 74 3HD2 LEU 74 -0.407 1.763 12.475 565 H SER 75 H SER 75 -2.860 6.108 12.277 566 HA SER 75 HA SER 75 -4.817 7.861 11.139 567 1HB SER 75 1HB SER 75 -3.844 7.972 13.498 568 2HB SER 75 1HB SER 75 -2.391 8.650 12.765 569 HG SER 75 HG SER 75 -4.660 9.884 13.424 570 H ARG 76 H ARG 76 -4.210 9.911 9.985 571 HA ARG 76 HA ARG 76 -2.774 9.319 7.667 572 1HB ARG 76 1HB ARG 76 -4.380 11.160 7.702 573 2HB ARG 76 1HB ARG 76 -3.350 12.058 8.816 574 1HG ARG 76 1HG ARG 76 -1.549 11.792 6.972 575 2HG ARG 76 1HG ARG 76 -2.922 11.457 5.920 576 1HD ARG 76 1HD ARG 76 -3.807 13.602 6.202 577 2HD ARG 76 1HD ARG 76 -2.846 13.901 7.655 578 HE ARG 76 HE ARG 76 -0.909 13.644 5.891 579 1HH1 ARG 76 1HH1 ARG 76 -3.920 15.410 5.556 580 2HH1 ARG 76 2HH1 ARG 76 -3.258 16.551 4.419 581 1HH2 ARG 76 1HH2 ARG 76 -0.043 15.111 4.419 582 2HH2 ARG 76 2HH2 ARG 76 -1.051 16.375 3.758 583 H ARG 77 H ARG 77 -1.709 10.774 10.684 584 HA ARG 77 HA ARG 77 0.693 11.874 9.736 585 1HB ARG 77 1HB ARG 77 -0.499 12.194 12.030 586 2HB ARG 77 1HB ARG 77 0.464 10.806 12.526 587 1HG ARG 77 1HG ARG 77 2.486 12.061 11.713 588 2HG ARG 77 1HG ARG 77 1.443 13.474 11.555 589 1HD ARG 77 1HD ARG 77 2.473 13.679 13.665 590 2HD ARG 77 1HD ARG 77 0.832 13.114 13.989 591 HE ARG 77 HE ARG 77 1.816 10.850 14.234 592 1HH1 ARG 77 1HH1 ARG 77 3.851 13.677 14.602 593 2HH1 ARG 77 2HH1 ARG 77 5.030 12.863 15.588 594 1HH2 ARG 77 1HH2 ARG 77 3.341 9.777 15.543 595 2HH2 ARG 77 2HH2 ARG 77 4.734 10.633 16.129 596 H LYS 78 H LYS 78 -0.055 8.645 11.005 597 HA LYS 78 HA LYS 78 2.720 7.870 10.841 598 1HB LYS 78 1HB LYS 78 1.211 6.988 12.622 599 2HB LYS 78 1HB LYS 78 0.326 6.110 11.379 600 1HG LYS 78 1HG LYS 78 2.151 4.717 10.910 601 2HG LYS 78 1HG LYS 78 3.277 5.759 11.782 602 1HD LYS 78 1HD LYS 78 2.094 5.194 13.881 603 2HD LYS 78 1HD LYS 78 1.074 4.080 12.971 604 1HE LYS 78 1HE LYS 78 2.873 2.867 14.038 605 2HE LYS 78 1HE LYS 78 3.069 2.829 12.285 606 1HZ LYS 78 1HZ LYS 78 4.664 4.706 12.541 607 2HZ LYS 78 2HZ LYS 78 5.174 3.266 13.267 608 3HZ LYS 78 3HZ LYS 78 4.561 4.519 14.223 609 H LYS 79 H LYS 79 -0.187 7.539 8.928 610 HA LYS 79 HA LYS 79 0.805 5.675 7.047 611 1HB LYS 79 1HB LYS 79 -1.580 6.353 7.203 612 2HB LYS 79 1HB LYS 79 -1.148 7.945 6.599 613 1HG LYS 79 1HG LYS 79 -0.353 6.894 4.505 614 2HG LYS 79 1HG LYS 79 -0.922 5.337 5.112 615 1HD LYS 79 1HD LYS 79 -3.198 6.257 5.279 616 2HD LYS 79 1HD LYS 79 -2.616 7.786 4.622 617 1HE LYS 79 1HE LYS 79 -1.890 6.570 2.581 618 2HE LYS 79 1HE LYS 79 -2.631 5.108 3.233 619 1HZ LYS 79 1HZ LYS 79 -4.764 6.311 3.290 620 2HZ LYS 79 2HZ LYS 79 -4.143 6.168 1.718 621 3HZ LYS 79 3HZ LYS 79 -4.022 7.642 2.545 622 H GLU 80 H GLU 80 0.861 9.207 7.174 623 HA GLU 80 HA GLU 80 2.367 9.594 4.803 624 1HB GLU 80 1HB GLU 80 0.966 11.318 5.965 625 2HB GLU 80 1HB GLU 80 2.185 11.394 7.227 626 1HG GLU 80 1HG GLU 80 3.801 12.268 5.707 627 2HG GLU 80 1HG GLU 80 2.727 12.002 4.333 628 H GLN 81 H GLN 81 3.201 9.288 8.212 629 HA GLN 81 HA GLN 81 5.939 9.636 8.186 630 1HB GLN 81 1HB GLN 81 4.688 9.261 10.238 631 2HB GLN 81 1HB GLN 81 4.270 7.632 9.721 632 1HG GLN 81 1HG GLN 81 6.687 7.060 9.799 633 2HG GLN 81 1HG GLN 81 6.993 8.656 10.488 634 1HE2 GLN 81 1HE2 GLN 81 6.305 9.106 12.570 635 2HE2 GLN 81 2HE2 GLN 81 5.848 7.863 13.681 636 H LEU 82 H LEU 82 4.092 6.703 7.534 637 HA LEU 82 HA LEU 82 6.222 4.943 7.182 638 1HB LEU 82 1HB LEU 82 3.716 4.498 7.447 639 2HB LEU 82 1HB LEU 82 3.593 4.780 5.724 640 HG LEU 82 HG LEU 82 5.507 2.713 6.728 641 1HD1 LEU 82 1HD1 LEU 82 3.719 1.043 6.651 642 2HD1 LEU 82 2HD1 LEU 82 2.536 2.321 6.363 643 3HD1 LEU 82 3HD1 LEU 82 3.411 2.255 7.895 644 1HD2 LEU 82 1HD2 LEU 82 4.970 1.657 4.600 645 2HD2 LEU 82 2HD2 LEU 82 5.493 3.323 4.347 646 3HD2 LEU 82 3HD2 LEU 82 3.782 2.912 4.258 647 H VAL 83 H VAL 83 4.700 7.174 4.949 648 HA VAL 83 HA VAL 83 6.110 6.184 2.647 649 HB VAL 83 HB VAL 83 4.511 8.718 3.038 650 1HG1 VAL 83 1HG1 VAL 83 5.577 7.486 0.502 651 2HG1 VAL 83 2HG1 VAL 83 6.124 8.993 1.234 652 3HG1 VAL 83 3HG1 VAL 83 4.485 8.869 0.595 653 1HG2 VAL 83 1HG2 VAL 83 3.188 6.695 3.263 654 2HG2 VAL 83 2HG2 VAL 83 3.826 6.088 1.735 655 3HG2 VAL 83 3HG2 VAL 83 2.796 7.520 1.754 656 H SER 84 H SER 84 6.480 8.877 4.914 657 HA SER 84 HA SER 84 8.630 10.153 3.614 658 1HB SER 84 1HB SER 84 8.027 10.034 6.581 659 2HB SER 84 1HB SER 84 9.060 11.218 5.780 660 HG SER 84 HG SER 84 7.024 12.113 6.057 661 H LEU 85 H LEU 85 8.416 7.303 5.578 662 HA LEU 85 HA LEU 85 11.161 7.037 6.222 663 1HB LEU 85 1HB LEU 85 9.031 4.919 5.922 664 2HB LEU 85 1HB LEU 85 10.607 4.668 6.646 665 HG LEU 85 HG LEU 85 8.469 6.515 7.708 666 1HD1 LEU 85 1HD1 LEU 85 8.311 4.890 9.538 667 2HD1 LEU 85 2HD1 LEU 85 9.436 3.834 8.684 668 3HD1 LEU 85 3HD1 LEU 85 7.857 4.188 7.985 669 1HD2 LEU 85 1HD2 LEU 85 11.157 5.748 8.836 670 2HD2 LEU 85 2HD2 LEU 85 9.932 6.710 9.664 671 3HD2 LEU 85 3HD2 LEU 85 10.703 7.331 8.204 672 H LYS 86 H LYS 86 9.355 6.468 3.318 673 HA LYS 86 HA LYS 86 11.343 4.791 2.106 674 1HB LYS 86 1HB LYS 86 8.938 4.814 1.374 675 2HB LYS 86 1HB LYS 86 9.216 6.414 0.698 676 1HG LYS 86 1HG LYS 86 11.193 5.185 -0.538 677 2HG LYS 86 1HG LYS 86 10.195 3.766 -0.233 678 1HD LYS 86 1HD LYS 86 9.706 4.696 -2.426 679 2HD LYS 86 1HD LYS 86 8.308 4.866 -1.360 680 1HE LYS 86 1HE LYS 86 8.734 7.175 -1.029 681 2HE LYS 86 1HE LYS 86 10.328 7.061 -1.774 682 1HZ LYS 86 1HZ LYS 86 7.903 6.424 -3.331 683 2HZ LYS 86 2HZ LYS 86 9.421 6.938 -3.883 684 3HZ LYS 86 3HZ LYS 86 8.382 8.034 -3.115 685 H GLY 87 H GLY 87 13.006 6.441 2.961 686 1HA GLY 87 2HA GLY 87 13.477 8.574 1.018 687 2HA GLY 87 1HA GLY 87 14.448 8.231 2.448 688 H GLY 88 H GLY 88 13.778 5.374 1.041 689 1HA GLY 88 2HA GLY 88 15.026 3.829 -0.093 690 2HA GLY 88 1HA GLY 88 15.588 5.159 -1.093 691 HA PRO 89 HA PRO 89 19.095 3.604 1.644 692 1HB PRO 89 1HB PRO 89 20.548 2.305 -0.251 693 2HB PRO 89 1HB PRO 89 19.340 1.505 0.759 694 1HG PRO 89 1HG PRO 89 19.137 2.436 -2.070 695 2HG PRO 89 1HG PRO 89 18.465 0.980 -1.314 696 1HD PRO 89 1HD PRO 89 17.010 3.241 -1.858 697 2HD PRO 89 1HD PRO 89 16.599 2.080 -0.581 698 H TYR 90 H TYR 90 18.865 4.888 -1.602 699 HA TYR 90 HA TYR 90 20.650 7.052 -0.991 700 1HB TYR 90 1HB TYR 90 22.232 6.596 -2.844 701 2HB TYR 90 1HB TYR 90 22.309 5.359 -1.596 702 HD1 TYR 90 HD1 TYR 90 21.094 3.157 -2.021 703 HD2 TYR 90 HD2 TYR 90 21.811 6.016 -5.087 704 HE1 TYR 90 HE1 TYR 90 20.750 1.413 -3.718 705 HE2 TYR 90 HE2 TYR 90 21.458 4.280 -6.790 706 HH TYR 90 HH TYR 90 21.688 1.666 -6.846 707 H GLU 91 H GLU 91 17.884 6.438 -1.874 708 HA GLU 91 HA GLU 91 16.272 7.025 -3.327 709 1HB GLU 91 1HB GLU 91 18.280 9.087 -4.247 710 2HB GLU 91 1HB GLU 91 16.585 9.064 -4.698 711 1HG GLU 91 1HG GLU 91 16.517 10.576 -3.005 712 2HG GLU 91 1HG GLU 91 16.227 9.096 -2.092 713 H ASN 92 H ASN 92 18.966 7.788 -5.476 714 HA ASN 92 HA ASN 92 18.966 5.342 -6.861 715 1HB ASN 92 1HB ASN 92 18.051 6.223 -9.062 716 2HB ASN 92 1HB ASN 92 16.869 5.853 -7.819 717 1HD2 ASN 92 1HD2 ASN 92 15.313 7.157 -8.663 718 2HD2 ASN 92 2HD2 ASN 92 15.399 8.888 -8.652 719 H THR 93 H THR 93 19.453 8.822 -7.228 720 HA THR 93 HA THR 93 21.210 10.078 -7.889 721 HB THR 93 HB THR 93 23.475 9.317 -7.197 722 HG1 THR 93 HG1 THR 93 22.282 6.908 -7.195 723 1HG2 THR 93 1HG2 THR 93 22.994 9.312 -4.792 724 2HG2 THR 93 2HG2 THR 93 21.289 9.017 -5.137 725 3HG2 THR 93 3HG2 THR 93 22.045 10.528 -5.649 726 H THR 94 H THR 94 20.196 8.004 -9.857 727 HA THR 94 HA THR 94 22.617 7.821 -11.522 728 HB THR 94 HB THR 94 20.027 6.347 -12.017 729 HG1 THR 94 HG1 THR 94 21.277 5.974 -9.891 730 1HG2 THR 94 1HG2 THR 94 21.603 6.460 -13.903 731 2HG2 THR 94 2HG2 THR 94 21.482 4.818 -13.274 732 3HG2 THR 94 3HG2 THR 94 22.881 5.812 -12.872 733 H LYS 95 H LYS 95 19.965 9.693 -11.011 734 HA LYS 95 HA LYS 95 19.112 11.495 -12.081 735 1HB LYS 95 1HB LYS 95 21.414 11.968 -12.707 736 2HB LYS 95 1HB LYS 95 21.294 10.879 -14.080 737 1HG LYS 95 1HG LYS 95 19.800 12.341 -15.207 738 2HG LYS 95 1HG LYS 95 19.622 13.356 -13.773 739 1HD LYS 95 1HD LYS 95 21.152 14.301 -15.505 740 2HD LYS 95 1HD LYS 95 21.900 14.083 -13.923 741 1HE LYS 95 1HE LYS 95 22.743 11.850 -14.809 742 2HE LYS 95 1HE LYS 95 22.253 12.419 -16.402 743 1HZ LYS 95 1HZ LYS 95 24.220 13.727 -14.600 744 2HZ LYS 95 2HZ LYS 95 23.729 14.342 -16.101 745 3HZ LYS 95 3HZ LYS 95 24.578 12.876 -16.020 746 H LEU 96 H LEU 96 18.716 8.472 -12.999 747 HA LEU 96 HA LEU 96 17.172 7.332 -14.195 748 1HB LEU 96 1HB LEU 96 16.071 9.969 -15.152 749 2HB LEU 96 1HB LEU 96 15.246 8.423 -15.113 750 HG LEU 96 HG LEU 96 15.980 10.174 -12.771 751 1HD1 LEU 96 1HD1 LEU 96 13.328 9.164 -13.787 752 2HD1 LEU 96 2HD1 LEU 96 13.956 10.801 -13.985 753 3HD1 LEU 96 3HD1 LEU 96 13.581 10.190 -12.372 754 1HD2 LEU 96 1HD2 LEU 96 14.991 8.455 -11.344 755 2HD2 LEU 96 2HD2 LEU 96 16.436 7.870 -12.172 756 3HD2 LEU 96 3HD2 LEU 96 14.834 7.388 -12.740 757 H SER 97 H SER 97 17.870 10.218 -16.150 758 HA SER 97 HA SER 97 18.670 10.522 -18.234 759 1HB SER 97 1HB SER 97 19.888 7.785 -17.802 760 2HB SER 97 1HB SER 97 20.312 8.884 -19.116 761 HG SER 97 HG SER 97 21.190 8.869 -16.571 762 H THR 98 H THR 98 16.134 8.926 -17.638 763 HA THR 98 HA THR 98 15.749 7.864 -20.349 764 HB THR 98 HB THR 98 15.455 6.059 -18.806 765 HG1 THR 98 HG1 THR 98 12.871 6.092 -18.934 766 1HG2 THR 98 1HG2 THR 98 13.903 6.126 -16.926 767 2HG2 THR 98 2HG2 THR 98 13.522 7.809 -17.286 768 3HG2 THR 98 3HG2 THR 98 15.143 7.365 -16.756 769 H THR 99 H THR 99 14.312 8.866 -21.599 770 HA THR 99 HA THR 99 11.993 10.164 -20.549 771 HB THR 99 HB THR 99 13.514 11.970 -20.058 772 HG1 THR 99 HG1 THR 99 11.918 12.382 -22.379 773 1HG2 THR 99 1HG2 THR 99 14.868 13.055 -21.803 774 2HG2 THR 99 2HG2 THR 99 14.384 11.803 -22.947 775 3HG2 THR 99 3HG2 THR 99 15.357 11.383 -21.539 Start of MODEL 9 1 H MET 6 H MET 6 2.436 -18.259 -6.009 2 HA MET 6 HA MET 6 2.257 -16.306 -7.089 3 1HB MET 6 1HB MET 6 0.195 -15.147 -7.089 4 2HB MET 6 1HB MET 6 -0.170 -16.844 -6.823 5 1HG MET 6 1HG MET 6 -0.092 -16.109 -4.293 6 2HG MET 6 1HG MET 6 -0.446 -14.530 -4.987 7 1HE MET 6 1HE MET 6 -3.137 -18.236 -5.549 8 2HE MET 6 2HE MET 6 -1.658 -18.245 -4.588 9 3HE MET 6 3HE MET 6 -1.571 -18.042 -6.339 10 H ASN 7 H ASN 7 2.788 -14.127 -7.067 11 HA ASN 7 HA ASN 7 3.941 -13.206 -4.574 12 1HB ASN 7 1HB ASN 7 3.897 -11.880 -7.296 13 2HB ASN 7 1HB ASN 7 4.826 -11.331 -5.905 14 1HD2 ASN 7 1HD2 ASN 7 4.684 -13.484 -8.563 15 2HD2 ASN 7 2HD2 ASN 7 6.208 -14.269 -8.295 16 H HIS 8 H HIS 8 3.439 -11.120 -3.650 17 HA HIS 8 HA HIS 8 0.706 -10.206 -4.263 18 1HB HIS 8 1HB HIS 8 1.839 -10.553 -1.478 19 2HB HIS 8 1HB HIS 8 0.209 -10.052 -1.894 20 HD1 HIS 8 HD1 HIS 8 -1.502 -11.893 -2.374 21 HD2 HIS 8 HD2 HIS 8 2.379 -13.318 -1.896 22 HE1 HIS 8 HE1 HIS 8 -1.701 -14.397 -2.270 23 HE2 HIS 8 HE2 HIS 8 0.680 -15.231 -2.254 24 H TYR 9 H TYR 9 0.866 -8.129 -4.893 25 HA TYR 9 HA TYR 9 3.229 -6.612 -4.047 26 1HB TYR 9 1HB TYR 9 1.254 -5.743 -6.141 27 2HB TYR 9 1HB TYR 9 2.930 -5.257 -5.953 28 HD1 TYR 9 HD1 TYR 9 0.842 -6.963 -8.013 29 HD2 TYR 9 HD2 TYR 9 4.554 -7.538 -6.010 30 HE1 TYR 9 HE1 TYR 9 1.484 -8.631 -9.695 31 HE2 TYR 9 HE2 TYR 9 5.204 -9.211 -7.695 32 HH TYR 9 HH TYR 9 3.849 -10.818 -9.336 33 H VAL 10 H VAL 10 3.134 -4.649 -3.061 34 HA VAL 10 HA VAL 10 0.466 -3.502 -2.523 35 HB VAL 10 HB VAL 10 2.916 -3.015 -0.805 36 1HG1 VAL 10 1HG1 VAL 10 1.300 -1.223 -0.789 37 2HG1 VAL 10 2HG1 VAL 10 1.282 -2.070 0.758 38 3HG1 VAL 10 3HG1 VAL 10 0.002 -2.360 -0.421 39 1HG2 VAL 10 1HG2 VAL 10 1.912 -4.441 0.890 40 2HG2 VAL 10 2HG2 VAL 10 2.241 -5.360 -0.582 41 3HG2 VAL 10 3HG2 VAL 10 0.593 -4.851 -0.208 42 H TYR 11 H TYR 11 0.219 -1.824 -3.874 43 HA TYR 11 HA TYR 11 2.577 -0.148 -4.416 44 1HB TYR 11 1HB TYR 11 1.413 0.646 -6.426 45 2HB TYR 11 1HB TYR 11 1.582 -1.103 -6.446 46 HD1 TYR 11 HD1 TYR 11 -0.776 1.692 -6.192 47 HD2 TYR 11 HD2 TYR 11 -0.362 -2.543 -6.256 48 HE1 TYR 11 HE1 TYR 11 -3.194 1.468 -6.572 49 HE2 TYR 11 HE2 TYR 11 -2.779 -2.780 -6.639 50 HH TYR 11 HH TYR 11 -4.793 -0.121 -7.460 51 H ILE 12 H ILE 12 2.459 2.074 -4.154 52 HA ILE 12 HA ILE 12 -0.049 3.091 -3.033 53 HB ILE 12 HB ILE 12 1.678 2.708 -1.238 54 1HG1 ILE 12 1HG1 ILE 12 0.896 5.595 -1.623 55 2HG1 ILE 12 1HG1 ILE 12 -0.198 4.336 -1.056 56 1HG2 ILE 12 1HG2 ILE 12 3.505 4.298 -1.010 57 2HG2 ILE 12 2HG2 ILE 12 3.079 5.011 -2.566 58 3HG2 ILE 12 3HG2 ILE 12 3.670 3.351 -2.492 59 1HD1 ILE 12 1HD1 ILE 12 0.681 5.665 0.790 60 2HD1 ILE 12 2HD1 ILE 12 2.327 5.228 0.324 61 3HD1 ILE 12 3HD1 ILE 12 1.214 3.988 0.901 62 H LEU 13 H LEU 13 -0.847 4.586 -4.286 63 HA LEU 13 HA LEU 13 0.992 6.076 -6.035 64 1HB LEU 13 1HB LEU 13 -1.831 5.135 -6.486 65 2HB LEU 13 1HB LEU 13 -1.056 6.327 -7.513 66 HG LEU 13 HG LEU 13 0.065 3.562 -7.060 67 1HD1 LEU 13 1HD1 LEU 13 -2.124 3.393 -8.126 68 2HD1 LEU 13 2HD1 LEU 13 -0.829 3.008 -9.262 69 3HD1 LEU 13 3HD1 LEU 13 -1.629 4.578 -9.337 70 1HD2 LEU 13 1HD2 LEU 13 1.662 5.286 -7.770 71 2HD2 LEU 13 2HD2 LEU 13 0.639 5.637 -9.164 72 3HD2 LEU 13 3HD2 LEU 13 1.406 4.057 -9.008 73 H GLU 14 H GLU 14 1.094 8.157 -5.887 74 HA GLU 14 HA GLU 14 -0.520 9.595 -3.980 75 1HB GLU 14 1HB GLU 14 1.948 9.928 -4.309 76 2HB GLU 14 1HB GLU 14 1.594 10.625 -5.883 77 1HG GLU 14 1HG GLU 14 0.435 12.460 -4.872 78 2HG GLU 14 1HG GLU 14 0.562 11.716 -3.277 79 H CYS 15 H CYS 15 -2.472 10.287 -4.532 80 HA CYS 15 HA CYS 15 -3.042 10.830 -7.345 81 1HB CYS 15 1HB CYS 15 -4.953 10.702 -5.006 82 2HB CYS 15 1HB CYS 15 -5.379 10.718 -6.715 83 HG CYS 15 HG CYS 15 -3.459 8.192 -5.467 84 H LYS 16 H LYS 16 -4.147 12.755 -7.983 85 HA LYS 16 HA LYS 16 -3.097 15.152 -6.974 86 1HB LYS 16 1HB LYS 16 -3.978 14.843 -9.271 87 2HB LYS 16 1HB LYS 16 -5.606 14.739 -8.617 88 1HG LYS 16 1HG LYS 16 -5.106 17.089 -7.650 89 2HG LYS 16 1HG LYS 16 -3.810 17.118 -8.849 90 1HD LYS 16 1HD LYS 16 -6.761 16.759 -9.349 91 2HD LYS 16 1HD LYS 16 -5.762 18.137 -9.807 92 1HE LYS 16 1HE LYS 16 -4.536 16.789 -11.381 93 2HE LYS 16 1HE LYS 16 -5.365 15.332 -10.836 94 1HZ LYS 16 1HZ LYS 16 -6.593 17.644 -12.240 95 2HZ LYS 16 2HZ LYS 16 -7.459 16.324 -11.617 96 3HZ LYS 16 3HZ LYS 16 -6.342 16.087 -12.874 97 H ASP 17 H ASP 17 -5.721 13.240 -5.942 98 HA ASP 17 HA ASP 17 -7.282 15.281 -4.706 99 1HB ASP 17 1HB ASP 17 -7.284 12.289 -4.266 100 2HB ASP 17 1HB ASP 17 -8.529 13.410 -3.717 101 H GLY 18 H GLY 18 -4.296 14.082 -3.929 102 1HA GLY 18 2HA GLY 18 -3.018 14.937 -2.164 103 2HA GLY 18 1HA GLY 18 -4.497 15.382 -1.337 104 H SER 19 H SER 19 -4.674 12.208 -2.403 105 HA SER 19 HA SER 19 -3.777 11.247 0.228 106 1HB SER 19 1HB SER 19 -6.087 10.216 -1.440 107 2HB SER 19 1HB SER 19 -5.566 9.559 0.111 108 HG SER 19 HG SER 19 -5.930 12.210 0.316 109 H TRP 20 H TRP 20 -2.734 9.265 0.330 110 HA TRP 20 HA TRP 20 -1.599 8.334 -2.193 111 1HB TRP 20 1HB TRP 20 -0.925 7.703 0.684 112 2HB TRP 20 1HB TRP 20 -0.196 6.869 -0.680 113 HD1 TRP 20 HD TRP 20 0.494 9.196 -2.591 114 HE1 TRP 20 HE1 TRP 20 2.292 10.937 -1.971 115 HE3 TRP 20 HE3 TRP 20 0.465 8.601 2.482 116 HZ2 TRP 20 HZ2 TRP 20 3.536 11.906 0.360 117 HZ3 TRP 20 HZ3 TRP 20 2.000 9.970 3.836 118 HH2 TRP 20 HH TRP 20 3.505 11.579 2.789 119 H TYR 21 H TYR 21 -2.257 6.547 -3.184 120 HA TYR 21 HA TYR 21 -4.471 5.113 -1.949 121 1HB TYR 21 1HB TYR 21 -4.715 6.000 -4.260 122 2HB TYR 21 1HB TYR 21 -3.411 4.937 -4.778 123 HD1 TYR 21 HD1 TYR 21 -6.854 4.975 -3.402 124 HD2 TYR 21 HD2 TYR 21 -3.830 2.681 -5.321 125 HE1 TYR 21 HE1 TYR 21 -8.485 3.183 -3.813 126 HE2 TYR 21 HE2 TYR 21 -5.452 0.879 -5.736 127 HH TYR 21 HH TYR 21 -7.591 0.061 -4.796 128 H THR 22 H THR 22 -3.746 3.629 -0.612 129 HA THR 22 HA THR 22 -1.509 1.907 -1.339 130 HB THR 22 HB THR 22 -3.141 1.859 1.208 131 HG1 THR 22 HG1 THR 22 -0.988 3.506 0.396 132 1HG2 THR 22 1HG2 THR 22 -1.092 0.872 2.152 133 2HG2 THR 22 2HG2 THR 22 -0.340 0.930 0.557 134 3HG2 THR 22 3HG2 THR 22 -1.742 -0.105 0.832 135 H GLY 23 H GLY 23 -2.040 0.210 -2.615 136 1HA GLY 23 2HA GLY 23 -4.562 -1.191 -1.997 137 2HA GLY 23 1HA GLY 23 -4.136 -0.785 -3.651 138 H TYR 24 H TYR 24 -4.450 -3.297 -1.810 139 HA TYR 24 HA TYR 24 -2.029 -4.737 -2.429 140 1HB TYR 24 1HB TYR 24 -3.128 -5.484 -0.479 141 2HB TYR 24 1HB TYR 24 -4.707 -5.470 -1.253 142 HD1 TYR 24 HD1 TYR 24 -1.589 -7.348 -0.802 143 HD2 TYR 24 HD2 TYR 24 -5.427 -7.334 -2.649 144 HE1 TYR 24 HE1 TYR 24 -1.367 -9.746 -1.293 145 HE2 TYR 24 HE2 TYR 24 -5.205 -9.731 -3.143 146 HH TYR 24 HH TYR 24 -3.517 -11.398 -3.414 147 H THR 25 H THR 25 -1.631 -5.933 -4.196 148 HA THR 25 HA THR 25 -3.867 -6.891 -5.808 149 HB THR 25 HB THR 25 -1.556 -5.332 -6.988 150 HG1 THR 25 HG1 THR 25 -3.719 -4.421 -5.989 151 1HG2 THR 25 1HG2 THR 25 -2.182 -7.220 -8.421 152 2HG2 THR 25 2HG2 THR 25 -2.666 -5.684 -9.146 153 3HG2 THR 25 3HG2 THR 25 -3.867 -6.709 -8.360 154 H THR 26 H THR 26 -3.573 -8.920 -6.443 155 HA THR 26 HA THR 26 -1.226 -10.331 -5.616 156 HB THR 26 HB THR 26 -3.282 -11.616 -7.358 157 HG1 THR 26 HG1 THR 26 -4.732 -11.698 -5.621 158 1HG2 THR 26 1HG2 THR 26 -1.882 -12.416 -4.803 159 2HG2 THR 26 2HG2 THR 26 -1.448 -12.936 -6.432 160 3HG2 THR 26 3HG2 THR 26 -2.986 -13.437 -5.727 161 H ASP 27 H ASP 27 -0.576 -12.147 -7.377 162 HA ASP 27 HA ASP 27 0.903 -10.764 -9.364 163 1HB ASP 27 1HB ASP 27 1.370 -13.032 -8.103 164 2HB ASP 27 1HB ASP 27 0.474 -13.731 -9.446 165 H VAL 28 H VAL 28 0.826 -12.145 -11.644 166 HA VAL 28 HA VAL 28 -1.307 -10.991 -13.027 167 HB VAL 28 HB VAL 28 0.872 -11.678 -14.027 168 1HG1 VAL 28 1HG1 VAL 28 1.150 -13.979 -14.821 169 2HG1 VAL 28 2HG1 VAL 28 -0.331 -14.439 -13.981 170 3HG1 VAL 28 3HG1 VAL 28 1.069 -13.896 -13.062 171 1HG2 VAL 28 1HG2 VAL 28 -1.016 -11.047 -15.438 172 2HG2 VAL 28 2HG2 VAL 28 -1.568 -12.721 -15.455 173 3HG2 VAL 28 3HG2 VAL 28 -0.033 -12.290 -16.208 174 H ASP 29 H ASP 29 -1.251 -13.887 -11.192 175 HA ASP 29 HA ASP 29 -3.096 -15.507 -12.479 176 1HB ASP 29 1HB ASP 29 -3.505 -16.524 -10.318 177 2HB ASP 29 1HB ASP 29 -1.793 -16.165 -10.468 178 H ARG 30 H ARG 30 -3.665 -12.845 -10.197 179 HA ARG 30 HA ARG 30 -6.505 -13.128 -10.244 180 1HB ARG 30 1HB ARG 30 -5.354 -12.081 -8.349 181 2HB ARG 30 1HB ARG 30 -4.786 -10.785 -9.394 182 1HG ARG 30 1HG ARG 30 -7.176 -10.196 -9.824 183 2HG ARG 30 1HG ARG 30 -7.624 -11.371 -8.586 184 1HD ARG 30 1HD ARG 30 -6.355 -10.142 -6.923 185 2HD ARG 30 1HD ARG 30 -5.805 -9.005 -8.154 186 HE ARG 30 HE ARG 30 -8.542 -9.229 -7.088 187 1HH1 ARG 30 1HH1 ARG 30 -6.147 -7.512 -8.973 188 2HH1 ARG 30 2HH1 ARG 30 -7.096 -6.065 -9.121 189 1HH2 ARG 30 1HH2 ARG 30 -9.817 -7.348 -7.288 190 2HH2 ARG 30 2HH2 ARG 30 -9.202 -5.980 -8.177 191 H ARG 31 H ARG 31 -4.163 -11.219 -11.996 192 HA ARG 31 HA ARG 31 -5.883 -9.346 -13.173 193 1HB ARG 31 1HB ARG 31 -3.513 -8.991 -13.194 194 2HB ARG 31 1HB ARG 31 -3.237 -10.485 -14.077 195 1HG ARG 31 1HG ARG 31 -4.358 -9.533 -16.034 196 2HG ARG 31 1HG ARG 31 -4.629 -8.035 -15.141 197 1HD ARG 31 1HD ARG 31 -2.300 -7.604 -14.999 198 2HD ARG 31 1HD ARG 31 -1.901 -9.212 -15.595 199 HE ARG 31 HE ARG 31 -3.417 -7.905 -17.553 200 1HH1 ARG 31 1HH1 ARG 31 -0.307 -7.566 -15.978 201 2HH1 ARG 31 2HH1 ARG 31 0.493 -6.987 -17.408 202 1HH2 ARG 31 1HH2 ARG 31 -2.388 -7.074 -19.410 203 2HH2 ARG 31 2HH2 ARG 31 -0.704 -6.641 -19.344 204 H ILE 32 H ILE 32 -4.505 -12.300 -14.656 205 HA ILE 32 HA ILE 32 -6.098 -12.141 -16.972 206 HB ILE 32 HB ILE 32 -4.057 -13.467 -16.960 207 1HG1 ILE 32 1HG1 ILE 32 -6.480 -15.211 -17.420 208 2HG1 ILE 32 1HG1 ILE 32 -5.859 -14.021 -18.557 209 1HG2 ILE 32 1HG2 ILE 32 -3.938 -15.643 -15.840 210 2HG2 ILE 32 2HG2 ILE 32 -5.498 -15.332 -15.081 211 3HG2 ILE 32 3HG2 ILE 32 -4.109 -14.318 -14.688 212 1HD1 ILE 32 1HD1 ILE 32 -4.420 -16.488 -17.609 213 2HD1 ILE 32 2HD1 ILE 32 -3.780 -15.295 -18.739 214 3HD1 ILE 32 3HD1 ILE 32 -5.187 -16.262 -19.180 215 H LYS 33 H LYS 33 -6.579 -13.772 -13.892 216 HA LYS 33 HA LYS 33 -8.770 -15.378 -14.577 217 1HB LYS 33 1HB LYS 33 -7.239 -15.218 -12.426 218 2HB LYS 33 1HB LYS 33 -8.543 -14.192 -11.850 219 1HG LYS 33 1HG LYS 33 -10.127 -15.981 -12.111 220 2HG LYS 33 1HG LYS 33 -8.889 -17.015 -12.834 221 1HD LYS 33 1HD LYS 33 -7.583 -16.742 -10.691 222 2HD LYS 33 1HD LYS 33 -9.019 -15.977 -10.005 223 1HE LYS 33 1HE LYS 33 -8.845 -18.772 -11.119 224 2HE LYS 33 1HE LYS 33 -8.901 -18.336 -9.411 225 1HZ LYS 33 1HZ LYS 33 -11.099 -17.300 -9.872 226 2HZ LYS 33 2HZ LYS 33 -11.065 -18.983 -10.074 227 3HZ LYS 33 3HZ LYS 33 -11.041 -17.971 -11.429 228 H LYS 34 H LYS 34 -8.705 -12.202 -12.965 229 HA LYS 34 HA LYS 34 -11.484 -11.930 -12.695 230 1HB LYS 34 1HB LYS 34 -9.643 -10.588 -11.544 231 2HB LYS 34 1HB LYS 34 -9.562 -9.624 -13.011 232 1HG LYS 34 1HG LYS 34 -10.927 -8.499 -11.384 233 2HG LYS 34 1HG LYS 34 -11.945 -9.038 -12.722 234 1HD LYS 34 1HD LYS 34 -12.658 -10.968 -11.415 235 2HD LYS 34 1HD LYS 34 -11.606 -10.469 -10.089 236 1HE LYS 34 1HE LYS 34 -13.917 -9.830 -9.658 237 2HE LYS 34 1HE LYS 34 -12.888 -8.409 -9.836 238 1HZ LYS 34 1HZ LYS 34 -14.583 -9.525 -12.007 239 2HZ LYS 34 2HZ LYS 34 -13.721 -8.062 -12.030 240 3HZ LYS 34 3HZ LYS 34 -15.050 -8.244 -10.997 241 H HIS 35 H HIS 35 -9.281 -10.934 -15.264 242 HA HIS 35 HA HIS 35 -11.193 -9.507 -16.791 243 1HB HIS 35 1HB HIS 35 -8.680 -9.370 -17.024 244 2HB HIS 35 1HB HIS 35 -8.736 -10.927 -17.840 245 HD1 HIS 35 HD1 HIS 35 -8.877 -7.370 -18.477 246 HD2 HIS 35 HD2 HIS 35 -10.339 -10.788 -20.333 247 HE1 HIS 35 HE1 HIS 35 -9.390 -6.684 -20.835 248 HE2 HIS 35 HE2 HIS 35 -10.170 -8.797 -21.978 249 H ALA 36 H ALA 36 -10.046 -12.854 -16.875 250 HA ALA 36 HA ALA 36 -11.572 -13.735 -19.062 251 1HB ALA 36 1HB ALA 36 -9.700 -15.017 -18.156 252 2HB ALA 36 2HB ALA 36 -11.173 -15.991 -18.213 253 3HB ALA 36 3HB ALA 36 -10.616 -15.321 -16.678 254 H SER 37 H SER 37 -12.299 -13.612 -15.597 255 HA SER 37 HA SER 37 -14.821 -14.896 -15.786 256 1HB SER 37 1HB SER 37 -13.760 -12.970 -13.706 257 2HB SER 37 1HB SER 37 -15.206 -13.963 -13.526 258 HG SER 37 HG SER 37 -13.706 -15.787 -13.988 259 H GLY 38 H GLY 38 -13.819 -11.502 -15.813 260 1HA GLY 38 2HA GLY 38 -16.352 -10.326 -15.775 261 2HA GLY 38 1HA GLY 38 -14.916 -9.607 -16.492 262 H LYS 39 H LYS 39 -14.354 -11.287 -18.538 263 HA LYS 39 HA LYS 39 -14.794 -11.514 -20.759 264 1HB LYS 39 1HB LYS 39 -15.884 -13.511 -19.727 265 2HB LYS 39 1HB LYS 39 -17.410 -12.635 -19.755 266 1HG LYS 39 1HG LYS 39 -17.342 -12.525 -22.170 267 2HG LYS 39 1HG LYS 39 -15.759 -13.306 -22.183 268 1HD LYS 39 1HD LYS 39 -16.748 -15.306 -21.162 269 2HD LYS 39 1HD LYS 39 -18.330 -14.523 -21.171 270 1HE LYS 39 1HE LYS 39 -18.082 -16.062 -23.053 271 2HE LYS 39 1HE LYS 39 -18.272 -14.397 -23.600 272 1HZ LYS 39 1HZ LYS 39 -15.915 -14.255 -23.985 273 2HZ LYS 39 2HZ LYS 39 -16.533 -15.601 -24.810 274 3HZ LYS 39 3HZ LYS 39 -15.671 -15.814 -23.364 275 H GLY 40 H GLY 40 -14.883 -9.354 -21.351 276 1HA GLY 40 2HA GLY 40 -16.236 -7.814 -22.666 277 2HA GLY 40 1HA GLY 40 -17.592 -8.202 -21.608 278 H ALA 41 H ALA 41 -16.251 -8.144 -19.163 279 HA ALA 41 HA ALA 41 -15.855 -5.324 -18.716 280 1HB ALA 41 1HB ALA 41 -15.545 -7.643 -16.806 281 2HB ALA 41 2HB ALA 41 -17.016 -6.701 -17.043 282 3HB ALA 41 3HB ALA 41 -15.576 -5.933 -16.371 283 H LYS 42 H LYS 42 -14.037 -4.705 -19.768 284 HA LYS 42 HA LYS 42 -11.612 -6.310 -19.539 285 1HB LYS 42 1HB LYS 42 -12.138 -3.786 -21.118 286 2HB LYS 42 1HB LYS 42 -10.716 -4.813 -21.248 287 1HG LYS 42 1HG LYS 42 -12.010 -6.598 -22.169 288 2HG LYS 42 1HG LYS 42 -13.516 -5.725 -21.865 289 1HD LYS 42 1HD LYS 42 -11.319 -4.890 -23.757 290 2HD LYS 42 1HD LYS 42 -12.886 -5.560 -24.212 291 1HE LYS 42 1HE LYS 42 -13.978 -3.621 -23.106 292 2HE LYS 42 1HE LYS 42 -12.380 -2.941 -22.800 293 1HZ LYS 42 1HZ LYS 42 -13.323 -1.956 -24.753 294 2HZ LYS 42 2HZ LYS 42 -13.593 -3.477 -25.456 295 3HZ LYS 42 3HZ LYS 42 -12.009 -2.920 -25.216 296 H TYR 43 H TYR 43 -13.069 -3.559 -18.182 297 HA TYR 43 HA TYR 43 -12.429 -1.958 -16.718 298 1HB TYR 43 1HB TYR 43 -9.900 -3.606 -16.500 299 2HB TYR 43 1HB TYR 43 -10.235 -2.188 -15.517 300 HD1 TYR 43 HD1 TYR 43 -11.209 -5.680 -16.188 301 HD2 TYR 43 HD2 TYR 43 -11.788 -2.291 -13.680 302 HE1 TYR 43 HE1 TYR 43 -12.397 -7.092 -14.562 303 HE2 TYR 43 HE2 TYR 43 -12.975 -3.695 -12.049 304 HH TYR 43 HH TYR 43 -14.099 -5.736 -11.846 305 H THR 44 H THR 44 -12.111 -0.000 -17.452 306 HA THR 44 HA THR 44 -10.646 0.372 -19.886 307 HB THR 44 HB THR 44 -12.816 1.433 -19.587 308 HG1 THR 44 HG1 THR 44 -10.618 3.225 -19.796 309 1HG2 THR 44 1HG2 THR 44 -11.515 3.072 -17.416 310 2HG2 THR 44 2HG2 THR 44 -12.714 1.801 -17.168 311 3HG2 THR 44 3HG2 THR 44 -13.152 3.277 -18.035 312 H ARG 45 H ARG 45 -8.953 -0.295 -17.703 313 HA ARG 45 HA ARG 45 -6.802 0.143 -17.123 314 1HB ARG 45 1HB ARG 45 -7.024 2.742 -18.643 315 2HB ARG 45 1HB ARG 45 -5.551 1.914 -18.164 316 1HG ARG 45 1HG ARG 45 -5.911 0.185 -19.745 317 2HG ARG 45 1HG ARG 45 -7.550 0.752 -20.086 318 1HD ARG 45 1HD ARG 45 -4.941 2.086 -20.766 319 2HD ARG 45 1HD ARG 45 -6.192 1.517 -21.873 320 HE ARG 45 HE ARG 45 -6.709 3.726 -19.990 321 1HH1 ARG 45 1HH1 ARG 45 -6.672 2.472 -23.262 322 2HH1 ARG 45 2HH1 ARG 45 -7.458 3.865 -23.934 323 1HH2 ARG 45 1HH2 ARG 45 -7.716 5.550 -20.857 324 2HH2 ARG 45 2HH2 ARG 45 -8.037 5.636 -22.572 325 H GLY 46 H GLY 46 -8.626 3.203 -17.082 326 1HA GLY 46 2HA GLY 46 -8.963 4.571 -15.161 327 2HA GLY 46 1HA GLY 46 -7.657 3.702 -14.352 328 H ARG 47 H ARG 47 -5.525 4.211 -14.804 329 HA ARG 47 HA ARG 47 -3.716 5.390 -15.480 330 1HB ARG 47 1HB ARG 47 -4.378 4.400 -17.630 331 2HB ARG 47 1HB ARG 47 -5.394 5.792 -17.962 332 1HG ARG 47 1HG ARG 47 -3.347 7.213 -17.918 333 2HG ARG 47 1HG ARG 47 -2.391 5.733 -17.769 334 1HD ARG 47 1HD ARG 47 -3.212 4.922 -19.869 335 2HD ARG 47 1HD ARG 47 -4.350 6.261 -19.995 336 HE ARG 47 HE ARG 47 -1.420 6.464 -20.275 337 1HH1 ARG 47 1HH1 ARG 47 -4.629 7.807 -20.679 338 2HH1 ARG 47 2HH1 ARG 47 -4.120 9.048 -21.783 339 1HH2 ARG 47 1HH2 ARG 47 -0.734 8.116 -21.726 340 2HH2 ARG 47 2HH2 ARG 47 -1.913 9.209 -22.399 341 H GLY 48 H GLY 48 -4.418 6.948 -13.741 342 1HA GLY 48 2HA GLY 48 -3.598 9.273 -13.674 343 2HA GLY 48 1HA GLY 48 -4.674 9.597 -15.023 344 HA PRO 49 HA PRO 49 -3.429 10.839 -12.843 345 1HB PRO 49 1HB PRO 49 -3.712 12.397 -10.528 346 2HB PRO 49 1HB PRO 49 -3.978 12.940 -12.184 347 1HG PRO 49 1HG PRO 49 -5.925 12.695 -10.168 348 2HG PRO 49 1HG PRO 49 -6.220 12.970 -11.890 349 1HD PRO 49 1HD PRO 49 -6.339 10.435 -10.329 350 2HD PRO 49 1HD PRO 49 -7.307 10.950 -11.729 351 H PHE 50 H PHE 50 -1.674 9.800 -12.048 352 HA PHE 50 HA PHE 50 -1.665 8.967 -9.263 353 1HB PHE 50 1HB PHE 50 -1.077 6.670 -9.735 354 2HB PHE 50 1HB PHE 50 -2.598 7.044 -10.534 355 HD1 PHE 50 HD1 PHE 50 0.709 5.779 -10.926 356 HD2 PHE 50 HD2 PHE 50 -2.512 7.590 -13.033 357 HE1 PHE 50 HE1 PHE 50 1.646 4.967 -13.047 358 HE2 PHE 50 HE2 PHE 50 -1.581 6.771 -15.159 359 HZ PHE 50 HZ PHE 50 0.502 5.463 -15.166 360 H ARG 51 H ARG 51 0.208 9.352 -8.347 361 HA ARG 51 HA ARG 51 2.640 9.437 -10.017 362 1HB ARG 51 1HB ARG 51 2.084 11.619 -9.013 363 2HB ARG 51 1HB ARG 51 2.060 10.883 -7.416 364 1HG ARG 51 1HG ARG 51 4.455 10.333 -7.673 365 2HG ARG 51 1HG ARG 51 4.451 11.172 -9.226 366 1HD ARG 51 1HD ARG 51 3.839 13.250 -8.133 367 2HD ARG 51 1HD ARG 51 3.734 12.427 -6.577 368 HE ARG 51 HE ARG 51 6.281 12.479 -8.049 369 1HH1 ARG 51 1HH1 ARG 51 4.376 13.393 -5.234 370 2HH1 ARG 51 2HH1 ARG 51 5.774 13.842 -4.301 371 1HH2 ARG 51 1HH2 ARG 51 8.099 13.043 -6.791 372 2HH2 ARG 51 2HH2 ARG 51 7.870 13.652 -5.178 373 H LEU 52 H LEU 52 4.207 7.964 -9.506 374 HA LEU 52 HA LEU 52 3.431 5.983 -7.552 375 1HB LEU 52 1HB LEU 52 4.258 5.279 -9.730 376 2HB LEU 52 1HB LEU 52 5.794 6.070 -9.426 377 HG LEU 52 HG LEU 52 6.221 4.497 -7.571 378 1HD1 LEU 52 1HD1 LEU 52 3.915 4.044 -6.939 379 2HD1 LEU 52 2HD1 LEU 52 4.768 2.540 -7.300 380 3HD1 LEU 52 3HD1 LEU 52 3.641 3.221 -8.476 381 1HD2 LEU 52 1HD2 LEU 52 7.013 4.006 -9.857 382 2HD2 LEU 52 2HD2 LEU 52 5.522 3.115 -10.165 383 3HD2 LEU 52 3HD2 LEU 52 6.656 2.541 -8.941 384 H VAL 53 H VAL 53 3.873 6.313 -5.493 385 HA VAL 53 HA VAL 53 6.218 7.801 -4.669 386 HB VAL 53 HB VAL 53 4.188 6.389 -2.929 387 1HG1 VAL 53 1HG1 VAL 53 4.924 7.985 -1.198 388 2HG1 VAL 53 2HG1 VAL 53 6.154 8.591 -2.310 389 3HG1 VAL 53 3HG1 VAL 53 6.230 6.925 -1.736 390 1HG2 VAL 53 1HG2 VAL 53 3.074 8.001 -4.379 391 2HG2 VAL 53 2HG2 VAL 53 4.207 9.253 -3.868 392 3HG2 VAL 53 3HG2 VAL 53 3.079 8.558 -2.703 393 H ALA 54 H ALA 54 4.932 4.510 -4.366 394 HA ALA 54 HA ALA 54 7.501 3.325 -4.565 395 1HB ALA 54 1HB ALA 54 7.655 2.321 -2.348 396 2HB ALA 54 2HB ALA 54 6.213 3.200 -1.837 397 3HB ALA 54 3HB ALA 54 7.689 4.081 -2.239 398 H THR 55 H THR 55 7.401 1.008 -4.586 399 HA THR 55 HA THR 55 4.855 -0.300 -4.170 400 HB THR 55 HB THR 55 6.182 -0.353 -6.895 401 HG1 THR 55 HG1 THR 55 4.323 1.232 -5.874 402 1HG2 THR 55 1HG2 THR 55 3.795 -1.885 -5.851 403 2HG2 THR 55 2HG2 THR 55 5.363 -2.568 -6.280 404 3HG2 THR 55 3HG2 THR 55 4.339 -1.858 -7.528 405 H TRP 56 H TRP 56 5.177 -2.220 -3.285 406 HA TRP 56 HA TRP 56 7.651 -3.669 -3.778 407 1HB TRP 56 1HB TRP 56 8.009 -4.001 -1.325 408 2HB TRP 56 1HB TRP 56 8.284 -2.357 -1.874 409 HD1 TRP 56 HD TRP 56 6.568 -4.278 0.737 410 HE1 TRP 56 HE1 TRP 56 4.986 -2.772 2.095 411 HE3 TRP 56 HE3 TRP 56 6.439 -0.184 -2.344 412 HZ2 TRP 56 HZ2 TRP 56 3.849 -0.217 1.893 413 HZ3 TRP 56 HZ3 TRP 56 5.060 1.750 -1.673 414 HH2 TRP 56 HH TRP 56 3.796 1.721 0.405 415 H ALA 57 H ALA 57 7.394 -5.774 -2.084 416 HA ALA 57 HA ALA 57 4.694 -6.788 -2.467 417 1HB ALA 57 1HB ALA 57 5.791 -7.142 -4.629 418 2HB ALA 57 2HB ALA 57 5.384 -8.663 -3.836 419 3HB ALA 57 3HB ALA 57 7.048 -8.084 -3.828 420 H PHE 58 H PHE 58 4.251 -8.756 -1.451 421 HA PHE 58 HA PHE 58 6.324 -9.818 0.351 422 1HB PHE 58 1HB PHE 58 3.395 -9.432 1.036 423 2HB PHE 58 1HB PHE 58 4.584 -10.231 2.054 424 HD1 PHE 58 HD1 PHE 58 6.255 -8.973 3.248 425 HD2 PHE 58 HD2 PHE 58 3.382 -7.018 0.789 426 HE1 PHE 58 HE1 PHE 58 6.821 -6.824 4.301 427 HE2 PHE 58 HE2 PHE 58 3.952 -4.865 1.832 428 HZ PHE 58 HZ PHE 58 5.668 -4.764 3.595 429 HA PRO 59 HA PRO 59 5.151 -13.611 -1.610 430 1HB PRO 59 1HB PRO 59 6.301 -15.079 0.625 431 2HB PRO 59 1HB PRO 59 6.898 -14.921 -1.029 432 1HG PRO 59 1HG PRO 59 8.145 -13.793 1.106 433 2HG PRO 59 1HG PRO 59 8.200 -13.104 -0.525 434 1HD PRO 59 1HD PRO 59 6.516 -12.299 1.814 435 2HD PRO 59 1HD PRO 59 7.350 -11.279 0.621 436 H SER 60 H SER 60 4.233 -12.828 1.644 437 HA SER 60 HA SER 60 2.512 -15.183 1.837 438 1HB SER 60 1HB SER 60 2.212 -14.174 4.237 439 2HB SER 60 1HB SER 60 3.720 -14.990 3.816 440 HG SER 60 HG SER 60 4.755 -13.166 4.017 441 H LYS 61 H LYS 61 0.382 -15.082 1.539 442 HA LYS 61 HA LYS 61 -0.932 -12.772 0.632 443 1HB LYS 61 1HB LYS 61 -1.693 -15.055 0.113 444 2HB LYS 61 1HB LYS 61 -2.118 -15.304 1.797 445 1HG LYS 61 1HG LYS 61 -3.374 -13.071 0.253 446 2HG LYS 61 1HG LYS 61 -3.963 -14.723 0.068 447 1HD LYS 61 1HD LYS 61 -3.792 -13.164 2.648 448 2HD LYS 61 1HD LYS 61 -5.262 -13.503 1.738 449 1HE LYS 61 1HE LYS 61 -3.461 -15.590 2.960 450 2HE LYS 61 1HE LYS 61 -4.952 -14.995 3.686 451 1HZ LYS 61 1HZ LYS 61 -4.815 -16.300 1.023 452 2HZ LYS 61 2HZ LYS 61 -6.211 -15.897 1.897 453 3HZ LYS 61 3HZ LYS 61 -5.177 -17.116 2.462 454 H GLU 62 H GLU 62 -0.944 -14.381 3.775 455 HA GLU 62 HA GLU 62 -2.851 -12.844 5.074 456 1HB GLU 62 1HB GLU 62 -0.366 -14.167 6.162 457 2HB GLU 62 1HB GLU 62 -1.680 -13.550 7.155 458 1HG GLU 62 1HG GLU 62 -3.166 -15.182 6.411 459 2HG GLU 62 1HG GLU 62 -2.172 -15.571 5.007 460 H GLU 63 H GLU 63 0.675 -12.387 5.039 461 HA GLU 63 HA GLU 63 0.656 -10.030 6.567 462 1HB GLU 63 1HB GLU 63 2.666 -11.327 4.769 463 2HB GLU 63 1HB GLU 63 2.983 -9.733 5.438 464 1HG GLU 63 1HG GLU 63 2.399 -12.236 7.006 465 2HG GLU 63 1HG GLU 63 3.977 -11.468 6.811 466 H ALA 64 H ALA 64 0.692 -10.529 3.053 467 HA ALA 64 HA ALA 64 0.950 -7.819 2.339 468 1HB ALA 64 1HB ALA 64 -0.389 -10.054 0.821 469 2HB ALA 64 2HB ALA 64 1.321 -9.636 0.757 470 3HB ALA 64 3HB ALA 64 0.113 -8.506 0.143 471 H MET 65 H MET 65 -1.905 -9.842 2.865 472 HA MET 65 HA MET 65 -3.805 -7.837 2.219 473 1HB MET 65 1HB MET 65 -4.373 -10.227 2.190 474 2HB MET 65 1HB MET 65 -4.113 -10.315 3.929 475 1HG MET 65 1HG MET 65 -5.955 -8.731 4.266 476 2HG MET 65 1HG MET 65 -6.221 -8.692 2.526 477 1HE MET 65 1HE MET 65 -7.239 -10.631 1.124 478 2HE MET 65 2HE MET 65 -7.511 -12.259 1.741 479 3HE MET 65 3HE MET 65 -5.867 -11.640 1.585 480 H ARG 66 H ARG 66 -2.523 -9.046 5.310 481 HA ARG 66 HA ARG 66 -3.961 -7.369 7.024 482 1HB ARG 66 1HB ARG 66 -2.610 -9.257 7.834 483 2HB ARG 66 1HB ARG 66 -1.140 -8.417 7.356 484 1HG ARG 66 1HG ARG 66 -1.696 -6.616 8.955 485 2HG ARG 66 1HG ARG 66 -3.087 -7.561 9.484 486 1HD ARG 66 1HD ARG 66 -1.286 -7.905 11.029 487 2HD ARG 66 1HD ARG 66 -1.540 -9.390 10.114 488 HE ARG 66 HE ARG 66 0.557 -9.163 9.184 489 1HH1 ARG 66 1HH1 ARG 66 -0.316 -6.162 10.803 490 2HH1 ARG 66 2HH1 ARG 66 1.286 -5.510 10.731 491 1HH2 ARG 66 1HH2 ARG 66 2.682 -8.319 9.129 492 2HH2 ARG 66 2HH2 ARG 66 2.995 -6.746 9.824 493 H TRP 67 H TRP 67 -0.852 -6.897 5.423 494 HA TRP 67 HA TRP 67 -0.082 -4.515 6.612 495 1HB TRP 67 1HB TRP 67 1.251 -6.037 5.066 496 2HB TRP 67 1HB TRP 67 0.445 -5.232 3.727 497 HD1 TRP 67 HD TRP 67 3.332 -4.884 6.067 498 HE1 TRP 67 HE1 TRP 67 4.542 -2.654 5.642 499 HE3 TRP 67 HE3 TRP 67 -0.087 -2.695 2.986 500 HZ2 TRP 67 HZ2 TRP 67 4.101 -0.284 4.174 501 HZ3 TRP 67 HZ3 TRP 67 0.381 -0.458 2.100 502 HH2 TRP 67 HH TRP 67 2.432 0.712 2.671 503 H GLU 68 H GLU 68 -1.843 -4.954 3.529 504 HA GLU 68 HA GLU 68 -2.163 -2.307 2.803 505 1HB GLU 68 1HB GLU 68 -2.870 -4.160 1.362 506 2HB GLU 68 1HB GLU 68 -4.169 -4.553 2.474 507 1HG GLU 68 1HG GLU 68 -4.940 -2.116 2.061 508 2HG GLU 68 1HG GLU 68 -3.914 -2.212 0.630 509 H TYR 69 H TYR 69 -4.454 -4.296 4.618 510 HA TYR 69 HA TYR 69 -6.277 -2.230 5.134 511 1HB TYR 69 1HB TYR 69 -6.805 -4.657 5.322 512 2HB TYR 69 1HB TYR 69 -5.860 -4.712 6.809 513 HD1 TYR 69 HD1 TYR 69 -8.811 -3.093 5.237 514 HD2 TYR 69 HD2 TYR 69 -6.855 -4.116 8.879 515 HE1 TYR 69 HE1 TYR 69 -10.807 -2.410 6.502 516 HE2 TYR 69 HE2 TYR 69 -8.846 -3.438 10.144 517 HH TYR 69 HH TYR 69 -11.835 -2.988 8.771 518 H GLU 70 H GLU 70 -3.573 -3.464 7.076 519 HA GLU 70 HA GLU 70 -4.155 -2.035 9.419 520 1HB GLU 70 1HB GLU 70 -2.531 -3.913 9.272 521 2HB GLU 70 1HB GLU 70 -1.425 -2.856 8.404 522 1HG GLU 70 1HG GLU 70 -1.152 -1.451 10.307 523 2HG GLU 70 1HG GLU 70 -2.448 -2.279 11.168 524 H VAL 71 H VAL 71 -2.180 -1.163 6.608 525 HA VAL 71 HA VAL 71 -1.314 1.316 7.700 526 HB VAL 71 HB VAL 71 -1.340 0.346 4.839 527 1HG1 VAL 71 1HG1 VAL 71 0.228 2.164 4.368 528 2HG1 VAL 71 2HG1 VAL 71 0.047 2.755 6.020 529 3HG1 VAL 71 3HG1 VAL 71 -1.324 2.799 4.914 530 1HG2 VAL 71 1HG2 VAL 71 1.055 -0.008 5.244 531 2HG2 VAL 71 2HG2 VAL 71 0.056 -0.960 6.340 532 3HG2 VAL 71 3HG2 VAL 71 0.841 0.510 6.915 533 H LYS 72 H LYS 72 -3.974 0.457 5.478 534 HA LYS 72 HA LYS 72 -4.813 3.174 5.161 535 1HB LYS 72 1HB LYS 72 -6.782 2.298 4.073 536 2HB LYS 72 1HB LYS 72 -5.387 1.382 3.531 537 1HG LYS 72 1HG LYS 72 -6.021 -0.369 5.220 538 2HG LYS 72 1HG LYS 72 -7.527 0.525 5.456 539 1HD LYS 72 1HD LYS 72 -6.535 -0.622 2.842 540 2HD LYS 72 1HD LYS 72 -7.808 -1.309 3.852 541 1HE LYS 72 1HE LYS 72 -7.914 1.441 2.618 542 2HE LYS 72 1HE LYS 72 -8.632 0.005 1.895 543 1HZ LYS 72 1HZ LYS 72 -10.032 -0.235 3.856 544 2HZ LYS 72 2HZ LYS 72 -10.276 1.271 3.119 545 3HZ LYS 72 3HZ LYS 72 -9.355 1.165 4.538 546 H HIS 73 H HIS 73 -5.017 0.973 7.667 547 HA HIS 73 HA HIS 73 -7.452 2.076 8.852 548 1HB HIS 73 1HB HIS 73 -6.798 -0.422 8.742 549 2HB HIS 73 1HB HIS 73 -5.654 -0.044 10.021 550 HD1 HIS 73 HD1 HIS 73 -7.017 -1.781 11.457 551 HD2 HIS 73 HD2 HIS 73 -9.091 1.664 10.391 552 HE1 HIS 73 HE1 HIS 73 -9.063 -1.751 12.900 553 HE2 HIS 73 HE2 HIS 73 -10.193 0.445 12.398 554 H LEU 74 H LEU 74 -4.123 2.555 8.852 555 HA LEU 74 HA LEU 74 -3.702 3.312 11.563 556 1HB LEU 74 1HB LEU 74 -2.147 3.825 9.032 557 2HB LEU 74 1HB LEU 74 -1.628 4.426 10.594 558 HG LEU 74 HG LEU 74 -2.003 1.508 9.911 559 1HD1 LEU 74 1HD1 LEU 74 0.443 1.409 9.960 560 2HD1 LEU 74 2HD1 LEU 74 0.507 3.159 10.168 561 3HD1 LEU 74 3HD1 LEU 74 -0.142 2.471 8.677 562 1HD2 LEU 74 1HD2 LEU 74 -2.353 1.983 12.271 563 2HD2 LEU 74 2HD2 LEU 74 -0.831 2.872 12.334 564 3HD2 LEU 74 3HD2 LEU 74 -0.827 1.134 12.031 565 H SER 75 H SER 75 -3.102 5.468 12.252 566 HA SER 75 HA SER 75 -4.945 7.477 11.453 567 1HB SER 75 1HB SER 75 -3.816 7.114 13.764 568 2HB SER 75 1HB SER 75 -2.432 7.955 13.066 569 HG SER 75 HG SER 75 -4.619 9.001 14.133 570 H ARG 76 H ARG 76 -4.275 9.613 10.574 571 HA ARG 76 HA ARG 76 -2.955 9.244 8.134 572 1HB ARG 76 1HB ARG 76 -4.605 11.148 9.099 573 2HB ARG 76 1HB ARG 76 -3.075 12.010 9.197 574 1HG ARG 76 1HG ARG 76 -4.086 10.674 6.696 575 2HG ARG 76 1HG ARG 76 -4.367 12.368 7.088 576 1HD ARG 76 1HD ARG 76 -1.579 11.301 7.091 577 2HD ARG 76 1HD ARG 76 -2.365 11.674 5.559 578 HE ARG 76 HE ARG 76 -2.668 13.964 6.430 579 1HH1 ARG 76 1HH1 ARG 76 -0.242 11.936 7.931 580 2HH1 ARG 76 2HH1 ARG 76 0.798 13.265 8.357 581 1HH2 ARG 76 1HH2 ARG 76 -1.306 15.716 6.985 582 2HH2 ARG 76 2HH2 ARG 76 0.190 15.419 7.823 583 H ARG 77 H ARG 77 -1.757 10.274 11.248 584 HA ARG 77 HA ARG 77 0.719 11.333 10.337 585 1HB ARG 77 1HB ARG 77 -0.104 11.885 12.546 586 2HB ARG 77 1HB ARG 77 -0.065 10.192 13.023 587 1HG ARG 77 1HG ARG 77 2.362 10.177 12.858 588 2HG ARG 77 1HG ARG 77 2.345 11.853 12.306 589 1HD ARG 77 1HD ARG 77 1.303 10.910 14.974 590 2HD ARG 77 1HD ARG 77 2.895 11.620 14.710 591 HE ARG 77 HE ARG 77 0.899 13.344 13.703 592 1HH1 ARG 77 1HH1 ARG 77 2.201 12.174 16.738 593 2HH1 ARG 77 2HH1 ARG 77 1.854 13.643 17.591 594 1HH2 ARG 77 1HH2 ARG 77 0.424 15.247 14.814 595 2HH2 ARG 77 2HH2 ARG 77 0.815 15.392 16.503 596 H LYS 78 H LYS 78 -0.310 8.113 11.345 597 HA LYS 78 HA LYS 78 2.305 6.982 11.293 598 1HB LYS 78 1HB LYS 78 -0.449 5.965 11.653 599 2HB LYS 78 1HB LYS 78 0.720 4.812 11.030 600 1HG LYS 78 1HG LYS 78 0.520 4.693 13.462 601 2HG LYS 78 1HG LYS 78 2.144 5.162 12.957 602 1HD LYS 78 1HD LYS 78 1.678 7.482 13.469 603 2HD LYS 78 1HD LYS 78 0.002 7.089 13.864 604 1HE LYS 78 1HE LYS 78 0.750 5.721 15.736 605 2HE LYS 78 1HE LYS 78 2.433 6.054 15.326 606 1HZ LYS 78 1HZ LYS 78 2.189 8.306 15.919 607 2HZ LYS 78 2HZ LYS 78 1.439 7.431 17.166 608 3HZ LYS 78 3HZ LYS 78 0.499 8.199 15.983 609 H LYS 79 H LYS 79 -0.363 7.144 8.985 610 HA LYS 79 HA LYS 79 0.786 5.537 6.985 611 1HB LYS 79 1HB LYS 79 -1.581 6.391 7.044 612 2HB LYS 79 1HB LYS 79 -0.966 7.965 6.548 613 1HG LYS 79 1HG LYS 79 -0.030 6.856 4.508 614 2HG LYS 79 1HG LYS 79 -0.883 5.388 4.993 615 1HD LYS 79 1HD LYS 79 -3.004 6.710 4.973 616 2HD LYS 79 1HD LYS 79 -2.097 8.065 4.299 617 1HE LYS 79 1HE LYS 79 -3.123 6.938 2.475 618 2HE LYS 79 1HE LYS 79 -1.406 6.544 2.430 619 1HZ LYS 79 1HZ LYS 79 -3.641 4.829 3.347 620 2HZ LYS 79 2HZ LYS 79 -2.017 4.461 3.660 621 3HZ LYS 79 3HZ LYS 79 -2.568 4.542 2.063 622 H GLU 80 H GLU 80 1.007 9.001 7.617 623 HA GLU 80 HA GLU 80 2.695 9.671 5.456 624 1HB GLU 80 1HB GLU 80 1.441 11.367 6.603 625 2HB GLU 80 1HB GLU 80 2.207 10.973 8.133 626 1HG GLU 80 1HG GLU 80 4.349 11.765 7.248 627 2HG GLU 80 1HG GLU 80 3.549 12.203 5.736 628 H GLN 81 H GLN 81 3.344 8.790 8.819 629 HA GLN 81 HA GLN 81 6.119 9.157 8.809 630 1HB GLN 81 1HB GLN 81 4.602 8.737 10.807 631 2HB GLN 81 1HB GLN 81 4.639 7.035 10.368 632 1HG GLN 81 1HG GLN 81 6.226 7.467 12.120 633 2HG GLN 81 1HG GLN 81 7.080 7.030 10.640 634 1HE2 GLN 81 1HE2 GLN 81 5.632 10.167 11.160 635 2HE2 GLN 81 2HE2 GLN 81 7.112 11.058 11.265 636 H LEU 82 H LEU 82 4.118 6.406 7.932 637 HA LEU 82 HA LEU 82 6.199 4.534 7.600 638 1HB LEU 82 1HB LEU 82 3.685 4.146 7.834 639 2HB LEU 82 1HB LEU 82 3.573 4.518 6.128 640 HG LEU 82 HG LEU 82 5.440 2.355 7.004 641 1HD1 LEU 82 1HD1 LEU 82 3.648 0.735 6.953 642 2HD1 LEU 82 2HD1 LEU 82 2.470 2.007 6.623 643 3HD1 LEU 82 3HD1 LEU 82 3.303 1.960 8.179 644 1HD2 LEU 82 1HD2 LEU 82 3.694 2.771 4.573 645 2HD2 LEU 82 2HD2 LEU 82 4.786 1.410 4.830 646 3HD2 LEU 82 3HD2 LEU 82 5.436 3.041 4.661 647 H VAL 83 H VAL 83 4.596 6.739 5.332 648 HA VAL 83 HA VAL 83 6.050 5.866 3.049 649 HB VAL 83 HB VAL 83 4.593 8.459 3.579 650 1HG1 VAL 83 1HG1 VAL 83 6.290 8.813 1.860 651 2HG1 VAL 83 2HG1 VAL 83 4.675 8.816 1.150 652 3HG1 VAL 83 3HG1 VAL 83 5.712 7.398 0.983 653 1HG2 VAL 83 1HG2 VAL 83 3.870 5.975 2.039 654 2HG2 VAL 83 2HG2 VAL 83 2.893 7.445 2.118 655 3HG2 VAL 83 3HG2 VAL 83 3.183 6.496 3.577 656 H SER 84 H SER 84 6.610 8.336 5.492 657 HA SER 84 HA SER 84 8.940 9.420 4.302 658 1HB SER 84 1HB SER 84 8.130 9.305 7.218 659 2HB SER 84 1HB SER 84 9.380 10.350 6.541 660 HG SER 84 HG SER 84 6.583 10.449 6.165 661 H LEU 85 H LEU 85 8.255 6.573 6.102 662 HA LEU 85 HA LEU 85 11.073 5.960 6.526 663 1HB LEU 85 1HB LEU 85 8.511 5.014 7.642 664 2HB LEU 85 1HB LEU 85 9.731 3.773 7.428 665 HG LEU 85 HG LEU 85 9.747 4.712 9.701 666 1HD1 LEU 85 1HD1 LEU 85 12.205 5.401 8.097 667 2HD1 LEU 85 2HD1 LEU 85 11.807 3.811 8.752 668 3HD1 LEU 85 3HD1 LEU 85 12.137 5.158 9.842 669 1HD2 LEU 85 1HD2 LEU 85 10.523 7.001 10.080 670 2HD2 LEU 85 2HD2 LEU 85 9.001 6.974 9.190 671 3HD2 LEU 85 3HD2 LEU 85 10.512 7.292 8.343 672 H LYS 86 H LYS 86 9.366 5.882 3.875 673 HA LYS 86 HA LYS 86 9.480 3.310 2.837 674 1HB LYS 86 1HB LYS 86 9.640 4.309 0.642 675 2HB LYS 86 1HB LYS 86 8.552 5.278 1.627 676 1HG LYS 86 1HG LYS 86 10.312 6.917 1.993 677 2HG LYS 86 1HG LYS 86 11.439 5.932 1.057 678 1HD LYS 86 1HD LYS 86 9.979 6.178 -0.912 679 2HD LYS 86 1HD LYS 86 8.907 7.216 0.030 680 1HE LYS 86 1HE LYS 86 10.723 8.817 0.347 681 2HE LYS 86 1HE LYS 86 11.813 7.775 -0.564 682 1HZ LYS 86 1HZ LYS 86 11.021 9.499 -1.991 683 2HZ LYS 86 2HZ LYS 86 9.405 9.165 -1.603 684 3HZ LYS 86 3HZ LYS 86 10.313 8.042 -2.492 685 H GLY 87 H GLY 87 11.087 2.320 1.433 686 1HA GLY 87 2HA GLY 87 13.630 2.314 2.755 687 2HA GLY 87 1HA GLY 87 13.137 1.267 1.439 688 H GLY 88 H GLY 88 12.934 4.707 1.157 689 1HA GLY 88 2HA GLY 88 14.033 5.451 -1.078 690 2HA GLY 88 1HA GLY 88 14.441 6.314 0.389 691 HA PRO 89 HA PRO 89 18.612 5.069 -0.651 692 1HB PRO 89 1HB PRO 89 19.880 6.746 0.987 693 2HB PRO 89 1HB PRO 89 19.012 7.351 -0.430 694 1HG PRO 89 1HG PRO 89 18.214 7.385 2.446 695 2HG PRO 89 1HG PRO 89 17.944 8.604 1.190 696 1HD PRO 89 1HD PRO 89 16.084 6.699 2.057 697 2HD PRO 89 1HD PRO 89 15.979 7.655 0.568 698 H TYR 90 H TYR 90 16.842 3.883 1.659 699 HA TYR 90 HA TYR 90 19.014 2.447 2.882 700 1HB TYR 90 1HB TYR 90 18.233 2.800 5.200 701 2HB TYR 90 1HB TYR 90 18.826 4.275 4.458 702 HD1 TYR 90 HD1 TYR 90 16.194 2.778 6.288 703 HD2 TYR 90 HD2 TYR 90 17.007 5.887 3.497 704 HE1 TYR 90 HE1 TYR 90 14.133 3.928 6.971 705 HE2 TYR 90 HE2 TYR 90 14.942 7.039 4.171 706 HH TYR 90 HH TYR 90 12.745 6.422 5.224 707 H GLU 91 H GLU 91 18.365 0.632 2.000 708 HA GLU 91 HA GLU 91 15.659 -0.234 1.851 709 1HB GLU 91 1HB GLU 91 17.485 -0.858 0.265 710 2HB GLU 91 1HB GLU 91 18.187 -1.856 1.528 711 1HG GLU 91 1HG GLU 91 16.212 -3.262 1.544 712 2HG GLU 91 1HG GLU 91 15.451 -2.233 0.330 713 H ASN 92 H ASN 92 14.866 -2.261 2.783 714 HA ASN 92 HA ASN 92 14.430 -3.767 4.420 715 1HB ASN 92 1HB ASN 92 17.169 -2.992 5.383 716 2HB ASN 92 1HB ASN 92 16.130 -4.039 6.338 717 1HD2 ASN 92 1HD2 ASN 92 16.307 -4.012 2.827 718 2HD2 ASN 92 2HD2 ASN 92 17.000 -5.589 2.665 719 H THR 93 H THR 93 15.632 -0.641 5.469 720 HA THR 93 HA THR 93 14.915 0.870 6.989 721 HB THR 93 HB THR 93 12.457 1.112 7.273 722 HG1 THR 93 HG1 THR 93 12.425 -1.454 6.560 723 1HG2 THR 93 1HG2 THR 93 11.984 1.582 4.903 724 2HG2 THR 93 2HG2 THR 93 13.428 0.674 4.453 725 3HG2 THR 93 3HG2 THR 93 13.576 2.157 5.394 726 H THR 94 H THR 94 15.642 -1.882 8.007 727 HA THR 94 HA THR 94 14.044 -2.290 10.326 728 HB THR 94 HB THR 94 15.208 -4.192 9.453 729 HG1 THR 94 HG1 THR 94 16.001 -4.952 11.347 730 1HG2 THR 94 1HG2 THR 94 17.649 -4.380 9.415 731 2HG2 THR 94 2HG2 THR 94 17.789 -2.708 9.959 732 3HG2 THR 94 3HG2 THR 94 17.094 -3.065 8.376 733 H LYS 95 H LYS 95 13.907 -0.650 11.678 734 HA LYS 95 HA LYS 95 16.357 0.400 12.908 735 1HB LYS 95 1HB LYS 95 15.557 2.684 12.723 736 2HB LYS 95 1HB LYS 95 15.613 1.970 11.118 737 1HG LYS 95 1HG LYS 95 13.553 2.846 10.917 738 2HG LYS 95 1HG LYS 95 13.052 1.415 11.828 739 1HD LYS 95 1HD LYS 95 13.022 2.624 13.878 740 2HD LYS 95 1HD LYS 95 13.850 4.003 13.154 741 1HE LYS 95 1HE LYS 95 11.871 4.363 11.698 742 2HE LYS 95 1HE LYS 95 11.049 3.061 12.558 743 1HZ LYS 95 1HZ LYS 95 10.984 4.309 14.520 744 2HZ LYS 95 2HZ LYS 95 10.595 5.436 13.313 745 3HZ LYS 95 3HZ LYS 95 12.152 5.409 13.980 746 H LEU 96 H LEU 96 14.060 -1.437 13.558 747 HA LEU 96 HA LEU 96 11.952 -0.291 14.848 748 1HB LEU 96 1HB LEU 96 13.269 -2.943 15.349 749 2HB LEU 96 1HB LEU 96 11.703 -2.490 16.003 750 HG LEU 96 HG LEU 96 12.196 -2.340 13.052 751 1HD1 LEU 96 1HD1 LEU 96 11.350 -4.607 12.825 752 2HD1 LEU 96 2HD1 LEU 96 11.363 -4.796 14.580 753 3HD1 LEU 96 3HD1 LEU 96 12.880 -4.573 13.703 754 1HD2 LEU 96 1HD2 LEU 96 9.784 -2.733 12.977 755 2HD2 LEU 96 2HD2 LEU 96 10.180 -1.314 13.948 756 3HD2 LEU 96 3HD2 LEU 96 9.741 -2.831 14.737 757 H SER 97 H SER 97 12.547 1.405 16.079 758 HA SER 97 HA SER 97 12.845 0.806 18.860 759 1HB SER 97 1HB SER 97 14.874 2.583 17.474 760 2HB SER 97 1HB SER 97 14.692 2.435 19.221 761 HG SER 97 HG SER 97 14.995 0.042 17.870 762 H THR 98 H THR 98 10.757 1.595 18.927 763 HA THR 98 HA THR 98 10.501 4.475 18.854 764 HB THR 98 HB THR 98 8.739 2.737 17.105 765 HG1 THR 98 HG1 THR 98 11.057 4.187 16.658 766 1HG2 THR 98 1HG2 THR 98 8.766 5.737 17.492 767 2HG2 THR 98 2HG2 THR 98 7.524 4.635 18.087 768 3HG2 THR 98 3HG2 THR 98 7.753 4.852 16.349 769 H THR 99 H THR 99 8.991 1.317 19.395 770 HA THR 99 HA THR 99 7.803 2.461 21.813 771 HB THR 99 HB THR 99 6.298 0.493 20.086 772 HG1 THR 99 HG1 THR 99 6.471 3.270 19.993 773 1HG2 THR 99 1HG2 THR 99 5.528 2.185 22.467 774 2HG2 THR 99 2HG2 THR 99 5.734 0.431 22.451 775 3HG2 THR 99 3HG2 THR 99 4.415 1.174 21.541 Start of MODEL 10 1 H MET 6 H MET 6 2.121 -16.788 -3.953 2 HA MET 6 HA MET 6 0.284 -15.011 -5.334 3 1HB MET 6 1HB MET 6 0.891 -15.417 -2.399 4 2HB MET 6 1HB MET 6 -0.298 -14.277 -3.017 5 1HG MET 6 1HG MET 6 -1.679 -15.992 -3.833 6 2HG MET 6 1HG MET 6 -0.409 -17.202 -3.666 7 1HE MET 6 1HE MET 6 -0.202 -17.767 0.158 8 2HE MET 6 2HE MET 6 0.798 -16.681 -0.809 9 3HE MET 6 3HE MET 6 0.354 -18.268 -1.441 10 H ASN 7 H ASN 7 1.727 -13.691 -6.477 11 HA ASN 7 HA ASN 7 3.628 -12.092 -5.023 12 1HB ASN 7 1HB ASN 7 3.736 -10.814 -7.269 13 2HB ASN 7 1HB ASN 7 4.342 -12.465 -7.220 14 1HD2 ASN 7 1HD2 ASN 7 1.791 -10.378 -8.343 15 2HD2 ASN 7 2HD2 ASN 7 1.121 -11.484 -9.493 16 H HIS 8 H HIS 8 2.334 -11.157 -3.452 17 HA HIS 8 HA HIS 8 0.147 -9.443 -4.254 18 1HB HIS 8 1HB HIS 8 -0.172 -10.623 -2.197 19 2HB HIS 8 1HB HIS 8 1.382 -10.077 -1.573 20 HD1 HIS 8 HD1 HIS 8 -1.985 -8.626 -2.559 21 HD2 HIS 8 HD2 HIS 8 1.252 -7.814 -0.078 22 HE1 HIS 8 HE1 HIS 8 -2.642 -6.599 -1.225 23 HE2 HIS 8 HE2 HIS 8 -0.742 -6.235 0.384 24 H TYR 9 H TYR 9 0.234 -7.340 -4.585 25 HA TYR 9 HA TYR 9 2.711 -5.927 -3.849 26 1HB TYR 9 1HB TYR 9 0.791 -5.265 -6.093 27 2HB TYR 9 1HB TYR 9 2.280 -4.408 -5.716 28 HD1 TYR 9 HD1 TYR 9 4.473 -5.496 -6.140 29 HD2 TYR 9 HD2 TYR 9 0.808 -7.294 -7.346 30 HE1 TYR 9 HE1 TYR 9 5.709 -6.978 -7.663 31 HE2 TYR 9 HE2 TYR 9 2.033 -8.778 -8.874 32 HH TYR 9 HH TYR 9 5.497 -9.017 -8.836 33 H VAL 10 H VAL 10 2.457 -4.574 -2.227 34 HA VAL 10 HA VAL 10 -0.089 -3.158 -1.872 35 HB VAL 10 HB VAL 10 2.431 -2.911 -0.200 36 1HG1 VAL 10 1HG1 VAL 10 0.952 -1.836 1.432 37 2HG1 VAL 10 2HG1 VAL 10 -0.397 -1.992 0.306 38 3HG1 VAL 10 3HG1 VAL 10 0.976 -0.962 -0.100 39 1HG2 VAL 10 1HG2 VAL 10 1.317 -4.276 1.477 40 2HG2 VAL 10 2HG2 VAL 10 1.504 -5.176 -0.031 41 3HG2 VAL 10 3HG2 VAL 10 -0.065 -4.498 0.400 42 H TYR 11 H TYR 11 -0.157 -1.712 -3.546 43 HA TYR 11 HA TYR 11 2.219 -0.014 -3.897 44 1HB TYR 11 1HB TYR 11 1.430 0.428 -6.174 45 2HB TYR 11 1HB TYR 11 1.635 -1.296 -5.902 46 HD1 TYR 11 HD1 TYR 11 -0.781 1.389 -6.398 47 HD2 TYR 11 HD2 TYR 11 -0.276 -2.798 -5.971 48 HE1 TYR 11 HE1 TYR 11 -3.062 1.066 -7.222 49 HE2 TYR 11 HE2 TYR 11 -2.569 -3.160 -6.791 50 HH TYR 11 HH TYR 11 -4.689 -1.912 -6.972 51 H ILE 12 H ILE 12 2.029 2.187 -3.728 52 HA ILE 12 HA ILE 12 -0.670 3.142 -3.058 53 HB ILE 12 HB ILE 12 0.881 2.935 -1.080 54 1HG1 ILE 12 1HG1 ILE 12 -0.092 5.734 -1.664 55 2HG1 ILE 12 1HG1 ILE 12 -1.118 4.408 -1.129 56 1HG2 ILE 12 1HG2 ILE 12 2.566 4.654 -0.734 57 2HG2 ILE 12 2HG2 ILE 12 2.264 5.284 -2.354 58 3HG2 ILE 12 3HG2 ILE 12 2.940 3.667 -2.150 59 1HD1 ILE 12 1HD1 ILE 12 0.143 4.256 0.944 60 2HD1 ILE 12 2HD1 ILE 12 -0.525 5.873 0.717 61 3HD1 ILE 12 3HD1 ILE 12 1.188 5.575 0.418 62 H LEU 13 H LEU 13 -1.420 4.672 -4.283 63 HA LEU 13 HA LEU 13 0.426 6.127 -6.052 64 1HB LEU 13 1HB LEU 13 -2.430 5.260 -6.339 65 2HB LEU 13 1HB LEU 13 -1.843 6.629 -7.255 66 HG LEU 13 HG LEU 13 -0.166 5.189 -8.330 67 1HD1 LEU 13 1HD1 LEU 13 -0.314 2.773 -8.088 68 2HD1 LEU 13 2HD1 LEU 13 -1.490 2.987 -6.791 69 3HD1 LEU 13 3HD1 LEU 13 0.167 3.559 -6.583 70 1HD2 LEU 13 1HD2 LEU 13 -2.969 4.123 -8.506 71 2HD2 LEU 13 2HD2 LEU 13 -1.699 3.918 -9.712 72 3HD2 LEU 13 3HD2 LEU 13 -2.344 5.526 -9.371 73 H GLU 14 H GLU 14 0.770 8.206 -5.553 74 HA GLU 14 HA GLU 14 -1.112 9.684 -3.941 75 1HB GLU 14 1HB GLU 14 1.296 10.165 -3.768 76 2HB GLU 14 1HB GLU 14 1.332 10.630 -5.463 77 1HG GLU 14 1HG GLU 14 -0.201 12.473 -4.989 78 2HG GLU 14 1HG GLU 14 -0.228 12.010 -3.289 79 H CYS 15 H CYS 15 -2.968 10.328 -4.824 80 HA CYS 15 HA CYS 15 -3.276 10.710 -7.646 81 1HB CYS 15 1HB CYS 15 -5.142 9.985 -6.151 82 2HB CYS 15 1HB CYS 15 -5.106 11.567 -5.382 83 HG CYS 15 HG CYS 15 -6.873 12.562 -6.951 84 H LYS 16 H LYS 16 -3.927 12.803 -8.598 85 HA LYS 16 HA LYS 16 -2.066 14.810 -8.213 86 1HB LYS 16 1HB LYS 16 -3.352 14.687 -10.250 87 2HB LYS 16 1HB LYS 16 -4.853 14.970 -9.376 88 1HG LYS 16 1HG LYS 16 -3.996 17.222 -8.763 89 2HG LYS 16 1HG LYS 16 -2.607 16.924 -9.814 90 1HD LYS 16 1HD LYS 16 -3.970 16.825 -11.740 91 2HD LYS 16 1HD LYS 16 -5.449 16.731 -10.779 92 1HE LYS 16 1HE LYS 16 -3.589 19.098 -11.002 93 2HE LYS 16 1HE LYS 16 -5.199 18.955 -11.708 94 1HZ LYS 16 1HZ LYS 16 -5.960 18.606 -9.304 95 2HZ LYS 16 2HZ LYS 16 -5.541 20.177 -9.782 96 3HZ LYS 16 3HZ LYS 16 -4.453 19.258 -8.865 97 H ASP 17 H ASP 17 -5.113 14.289 -6.614 98 HA ASP 17 HA ASP 17 -5.430 16.868 -5.489 99 1HB ASP 17 1HB ASP 17 -6.477 14.265 -4.366 100 2HB ASP 17 1HB ASP 17 -7.130 15.877 -4.100 101 H GLY 18 H GLY 18 -3.468 14.149 -4.625 102 1HA GLY 18 2HA GLY 18 -1.603 14.544 -3.123 103 2HA GLY 18 1HA GLY 18 -2.664 15.562 -2.161 104 H SER 19 H SER 19 -4.535 13.043 -3.021 105 HA SER 19 HA SER 19 -4.246 11.800 -0.433 106 1HB SER 19 1HB SER 19 -6.482 12.252 -1.367 107 2HB SER 19 1HB SER 19 -6.140 11.161 -2.709 108 HG SER 19 HG SER 19 -6.971 9.716 -1.433 109 H TRP 20 H TRP 20 -3.129 10.005 -0.006 110 HA TRP 20 HA TRP 20 -1.888 8.535 -2.191 111 1HB TRP 20 1HB TRP 20 -1.598 8.293 0.806 112 2HB TRP 20 1HB TRP 20 -0.717 7.311 -0.355 113 HD1 TRP 20 HD TRP 20 -0.332 10.089 -2.266 114 HE1 TRP 20 HE1 TRP 20 1.645 11.616 -1.624 115 HE3 TRP 20 HE3 TRP 20 0.416 8.441 2.520 116 HZ2 TRP 20 HZ2 TRP 20 3.298 12.049 0.630 117 HZ3 TRP 20 HZ3 TRP 20 2.221 9.461 3.846 118 HH2 TRP 20 HH TRP 20 3.631 11.224 2.917 119 H TYR 21 H TYR 21 -2.982 6.931 -3.109 120 HA TYR 21 HA TYR 21 -4.997 5.505 -1.538 121 1HB TYR 21 1HB TYR 21 -5.718 6.328 -3.741 122 2HB TYR 21 1HB TYR 21 -4.438 5.390 -4.512 123 HD1 TYR 21 HD1 TYR 21 -4.913 3.259 -5.288 124 HD2 TYR 21 HD2 TYR 21 -7.384 4.939 -2.258 125 HE1 TYR 21 HE1 TYR 21 -6.377 1.284 -5.392 126 HE2 TYR 21 HE2 TYR 21 -8.854 2.972 -2.360 127 HH TYR 21 HH TYR 21 -9.441 1.167 -3.859 128 H THR 22 H THR 22 -4.408 3.731 -0.538 129 HA THR 22 HA THR 22 -2.129 2.187 -1.425 130 HB THR 22 HB THR 22 -4.006 1.561 0.860 131 HG1 THR 22 HG1 THR 22 -1.547 2.804 1.329 132 1HG2 THR 22 1HG2 THR 22 -2.050 0.372 1.760 133 2HG2 THR 22 2HG2 THR 22 -1.135 0.796 0.313 134 3HG2 THR 22 3HG2 THR 22 -2.534 -0.271 0.191 135 H GLY 23 H GLY 23 -2.394 0.785 -3.026 136 1HA GLY 23 2HA GLY 23 -5.049 -0.373 -3.489 137 2HA GLY 23 1HA GLY 23 -3.738 -0.290 -4.655 138 H TYR 24 H TYR 24 -5.490 -2.458 -3.435 139 HA TYR 24 HA TYR 24 -3.403 -4.304 -2.515 140 1HB TYR 24 1HB TYR 24 -5.360 -4.089 -1.049 141 2HB TYR 24 1HB TYR 24 -6.432 -4.455 -2.390 142 HD1 TYR 24 HD1 TYR 24 -6.432 -6.783 -3.350 143 HD2 TYR 24 HD2 TYR 24 -4.373 -5.806 0.239 144 HE1 TYR 24 HE1 TYR 24 -6.377 -9.164 -2.737 145 HE2 TYR 24 HE2 TYR 24 -4.306 -8.182 0.857 146 HH TYR 24 HH TYR 24 -5.563 -10.248 0.362 147 H THR 25 H THR 25 -2.525 -5.502 -4.151 148 HA THR 25 HA THR 25 -4.469 -6.867 -5.860 149 HB THR 25 HB THR 25 -3.469 -4.950 -7.152 150 HG1 THR 25 HG1 THR 25 -4.300 -6.634 -8.334 151 1HG2 THR 25 1HG2 THR 25 -1.181 -5.061 -6.265 152 2HG2 THR 25 2HG2 THR 25 -1.200 -5.202 -8.024 153 3HG2 THR 25 3HG2 THR 25 -0.966 -6.637 -7.028 154 H THR 26 H THR 26 -4.039 -8.947 -6.300 155 HA THR 26 HA THR 26 -1.433 -10.092 -5.720 156 HB THR 26 HB THR 26 -3.863 -11.371 -4.465 157 HG1 THR 26 HG1 THR 26 -3.622 -10.202 -2.683 158 1HG2 THR 26 1HG2 THR 26 -1.885 -12.780 -4.800 159 2HG2 THR 26 2HG2 THR 26 -2.193 -12.509 -3.086 160 3HG2 THR 26 3HG2 THR 26 -0.906 -11.622 -3.900 161 H ASP 27 H ASP 27 -1.609 -10.266 -8.082 162 HA ASP 27 HA ASP 27 -3.175 -12.614 -8.871 163 1HB ASP 27 1HB ASP 27 -4.481 -10.670 -9.566 164 2HB ASP 27 1HB ASP 27 -3.088 -10.018 -10.420 165 H VAL 28 H VAL 28 -1.745 -14.065 -9.448 166 HA VAL 28 HA VAL 28 0.869 -13.499 -10.337 167 HB VAL 28 HB VAL 28 0.303 -15.636 -9.291 168 1HG1 VAL 28 1HG1 VAL 28 -0.872 -17.387 -10.526 169 2HG1 VAL 28 2HG1 VAL 28 -1.199 -16.248 -11.829 170 3HG1 VAL 28 3HG1 VAL 28 -1.907 -15.988 -10.237 171 1HG2 VAL 28 1HG2 VAL 28 1.554 -17.114 -10.794 172 2HG2 VAL 28 2HG2 VAL 28 2.295 -15.517 -10.680 173 3HG2 VAL 28 3HG2 VAL 28 1.348 -15.949 -12.104 174 H ASP 29 H ASP 29 -2.154 -14.012 -12.044 175 HA ASP 29 HA ASP 29 -1.080 -14.520 -14.609 176 1HB ASP 29 1HB ASP 29 -3.403 -15.060 -14.039 177 2HB ASP 29 1HB ASP 29 -3.768 -13.346 -13.859 178 H ARG 30 H ARG 30 -2.221 -11.557 -13.078 179 HA ARG 30 HA ARG 30 -1.871 -9.744 -15.140 180 1HB ARG 30 1HB ARG 30 -2.907 -9.268 -12.940 181 2HB ARG 30 1HB ARG 30 -1.316 -9.318 -12.199 182 1HG ARG 30 1HG ARG 30 -0.641 -7.375 -13.506 183 2HG ARG 30 1HG ARG 30 -2.235 -7.330 -14.270 184 1HD ARG 30 1HD ARG 30 -3.217 -7.123 -11.974 185 2HD ARG 30 1HD ARG 30 -1.579 -6.941 -11.355 186 HE ARG 30 HE ARG 30 -1.593 -4.973 -13.102 187 1HH1 ARG 30 1HH1 ARG 30 -4.179 -5.970 -10.976 188 2HH1 ARG 30 2HH1 ARG 30 -4.835 -4.373 -10.790 189 1HH2 ARG 30 1HH2 ARG 30 -2.426 -2.867 -12.883 190 2HH2 ARG 30 2HH2 ARG 30 -3.821 -2.588 -11.877 191 H ARG 31 H ARG 31 0.477 -10.893 -12.768 192 HA ARG 31 HA ARG 31 2.577 -9.204 -13.662 193 1HB ARG 31 1HB ARG 31 2.532 -10.037 -11.389 194 2HB ARG 31 1HB ARG 31 2.602 -11.696 -11.958 195 1HG ARG 31 1HG ARG 31 4.819 -10.040 -12.886 196 2HG ARG 31 1HG ARG 31 4.733 -10.217 -11.132 197 1HD ARG 31 1HD ARG 31 4.731 -12.473 -13.138 198 2HD ARG 31 1HD ARG 31 6.111 -11.965 -12.165 199 HE ARG 31 HE ARG 31 3.911 -12.562 -10.494 200 1HH1 ARG 31 1HH1 ARG 31 6.266 -14.157 -12.531 201 2HH1 ARG 31 2HH1 ARG 31 6.298 -15.612 -11.580 202 1HH2 ARG 31 1HH2 ARG 31 3.928 -14.475 -9.247 203 2HH2 ARG 31 2HH2 ARG 31 4.990 -15.783 -9.687 204 H ILE 32 H ILE 32 1.947 -12.699 -14.115 205 HA ILE 32 HA ILE 32 4.218 -13.149 -15.713 206 HB ILE 32 HB ILE 32 3.000 -14.984 -14.611 207 1HG1 ILE 32 1HG1 ILE 32 3.157 -15.305 -17.614 208 2HG1 ILE 32 1HG1 ILE 32 4.524 -15.419 -16.512 209 1HG2 ILE 32 1HG2 ILE 32 0.911 -14.561 -16.741 210 2HG2 ILE 32 2HG2 ILE 32 0.717 -14.238 -15.019 211 3HG2 ILE 32 3HG2 ILE 32 0.957 -15.890 -15.583 212 1HD1 ILE 32 1HD1 ILE 32 3.503 -17.356 -15.442 213 2HD1 ILE 32 2HD1 ILE 32 3.737 -17.614 -17.172 214 3HD1 ILE 32 3HD1 ILE 32 2.130 -17.243 -16.545 215 H LYS 33 H LYS 33 0.956 -12.095 -16.548 216 HA LYS 33 HA LYS 33 1.125 -12.419 -19.336 217 1HB LYS 33 1HB LYS 33 -0.997 -11.949 -18.259 218 2HB LYS 33 1HB LYS 33 -0.412 -10.384 -17.715 219 1HG LYS 33 1HG LYS 33 -1.888 -10.099 -19.595 220 2HG LYS 33 1HG LYS 33 -0.245 -9.655 -20.055 221 1HD LYS 33 1HD LYS 33 -1.136 -10.909 -21.855 222 2HD LYS 33 1HD LYS 33 -0.010 -11.975 -21.016 223 1HE LYS 33 1HE LYS 33 -2.019 -13.195 -21.577 224 2HE LYS 33 1HE LYS 33 -1.910 -13.003 -19.828 225 1HZ LYS 33 1HZ LYS 33 -3.573 -11.356 -19.848 226 2HZ LYS 33 2HZ LYS 33 -4.153 -12.589 -20.857 227 3HZ LYS 33 3HZ LYS 33 -3.506 -11.176 -21.535 228 H LYS 34 H LYS 34 1.861 -9.566 -17.319 229 HA LYS 34 HA LYS 34 2.753 -7.960 -19.439 230 1HB LYS 34 1HB LYS 34 3.361 -7.882 -16.495 231 2HB LYS 34 1HB LYS 34 4.011 -6.699 -17.623 232 1HG LYS 34 1HG LYS 34 1.104 -7.233 -17.044 233 2HG LYS 34 1HG LYS 34 2.035 -5.804 -16.587 234 1HD LYS 34 1HD LYS 34 2.346 -5.232 -18.931 235 2HD LYS 34 1HD LYS 34 1.490 -6.693 -19.424 236 1HE LYS 34 1HE LYS 34 -0.040 -4.886 -19.613 237 2HE LYS 34 1HE LYS 34 -0.513 -5.817 -18.196 238 1HZ LYS 34 1HZ LYS 34 -0.611 -3.486 -17.708 239 2HZ LYS 34 2HZ LYS 34 0.992 -3.262 -18.202 240 3HZ LYS 34 3HZ LYS 34 0.660 -4.174 -16.815 241 H HIS 35 H HIS 35 4.390 -10.453 -17.610 242 HA HIS 35 HA HIS 35 6.998 -9.915 -18.623 243 1HB HIS 35 1HB HIS 35 5.680 -12.216 -17.256 244 2HB HIS 35 1HB HIS 35 7.171 -12.530 -18.131 245 HD1 HIS 35 HD1 HIS 35 9.214 -12.269 -16.813 246 HD2 HIS 35 HD2 HIS 35 6.087 -10.009 -15.253 247 HE1 HIS 35 HE1 HIS 35 10.105 -11.245 -14.692 248 HE2 HIS 35 HE2 HIS 35 8.145 -10.025 -13.679 249 H ALA 36 H ALA 36 4.385 -12.072 -19.617 250 HA ALA 36 HA ALA 36 5.692 -13.312 -21.759 251 1HB ALA 36 1HB ALA 36 2.737 -12.801 -21.459 252 2HB ALA 36 2HB ALA 36 3.618 -14.135 -20.716 253 3HB ALA 36 3HB ALA 36 3.497 -14.028 -22.472 254 H SER 37 H SER 37 3.335 -10.616 -21.855 255 HA SER 37 HA SER 37 3.862 -10.260 -24.688 256 1HB SER 37 1HB SER 37 2.026 -8.712 -22.845 257 2HB SER 37 1HB SER 37 2.049 -8.616 -24.607 258 HG SER 37 HG SER 37 1.762 -11.095 -24.272 259 H GLY 38 H GLY 38 4.261 -8.315 -21.732 260 1HA GLY 38 2HA GLY 38 5.268 -6.060 -23.213 261 2HA GLY 38 1HA GLY 38 5.149 -6.195 -21.466 262 H LYS 39 H LYS 39 6.664 -8.416 -20.971 263 HA LYS 39 HA LYS 39 8.770 -9.189 -20.661 264 1HB LYS 39 1HB LYS 39 9.367 -7.708 -23.223 265 2HB LYS 39 1HB LYS 39 10.521 -8.735 -22.385 266 1HG LYS 39 1HG LYS 39 9.125 -10.666 -22.739 267 2HG LYS 39 1HG LYS 39 7.865 -9.662 -23.456 268 1HD LYS 39 1HD LYS 39 10.647 -10.046 -24.554 269 2HD LYS 39 1HD LYS 39 9.183 -10.821 -25.163 270 1HE LYS 39 1HE LYS 39 8.247 -8.644 -25.725 271 2HE LYS 39 1HE LYS 39 9.673 -7.846 -25.064 272 1HZ LYS 39 1HZ LYS 39 9.659 -8.077 -27.518 273 2HZ LYS 39 2HZ LYS 39 9.761 -9.759 -27.332 274 3HZ LYS 39 3HZ LYS 39 11.016 -8.769 -26.774 275 H GLY 40 H GLY 40 9.253 -5.904 -21.976 276 1HA GLY 40 2HA GLY 40 10.422 -5.156 -19.378 277 2HA GLY 40 1HA GLY 40 11.316 -4.840 -20.858 278 H ALA 41 H ALA 41 8.101 -4.514 -21.558 279 HA ALA 41 HA ALA 41 8.256 -1.705 -21.882 280 1HB ALA 41 1HB ALA 41 5.907 -1.842 -22.528 281 2HB ALA 41 2HB ALA 41 5.815 -3.486 -21.893 282 3HB ALA 41 3HB ALA 41 6.835 -3.135 -23.289 283 H LYS 42 H LYS 42 8.304 -0.328 -20.240 284 HA LYS 42 HA LYS 42 6.860 -1.046 -17.782 285 1HB LYS 42 1HB LYS 42 8.482 0.433 -16.620 286 2HB LYS 42 1HB LYS 42 9.235 -0.938 -17.418 287 1HG LYS 42 1HG LYS 42 9.798 0.579 -19.319 288 2HG LYS 42 1HG LYS 42 9.209 1.924 -18.342 289 1HD LYS 42 1HD LYS 42 11.613 1.762 -18.144 290 2HD LYS 42 1HD LYS 42 10.859 1.349 -16.601 291 1HE LYS 42 1HE LYS 42 12.624 -0.221 -17.037 292 2HE LYS 42 1HE LYS 42 11.081 -1.051 -17.199 293 1HZ LYS 42 1HZ LYS 42 11.265 -0.765 -19.629 294 2HZ LYS 42 2HZ LYS 42 12.533 -1.687 -18.983 295 3HZ LYS 42 3HZ LYS 42 12.801 -0.071 -19.416 296 H TYR 43 H TYR 43 6.965 1.343 -16.483 297 HA TYR 43 HA TYR 43 4.632 2.618 -17.536 298 1HB TYR 43 1HB TYR 43 4.978 4.056 -15.426 299 2HB TYR 43 1HB TYR 43 4.658 2.340 -15.199 300 HD1 TYR 43 HD1 TYR 43 7.538 4.713 -15.528 301 HD2 TYR 43 HD2 TYR 43 6.041 1.128 -13.789 302 HE1 TYR 43 HE1 TYR 43 9.604 4.492 -14.218 303 HE2 TYR 43 HE2 TYR 43 8.106 0.898 -12.480 304 HH TYR 43 HH TYR 43 10.484 3.431 -12.340 305 H THR 44 H THR 44 6.760 3.039 -19.321 306 HA THR 44 HA THR 44 8.067 5.521 -18.879 307 HB THR 44 HB THR 44 7.568 4.283 -21.581 308 HG1 THR 44 HG1 THR 44 9.900 3.634 -20.191 309 1HG2 THR 44 1HG2 THR 44 9.841 5.918 -20.446 310 2HG2 THR 44 2HG2 THR 44 8.617 6.489 -21.580 311 3HG2 THR 44 3HG2 THR 44 9.776 5.257 -22.080 312 H ARG 45 H ARG 45 6.588 7.095 -18.377 313 HA ARG 45 HA ARG 45 5.237 8.865 -18.755 314 1HB ARG 45 1HB ARG 45 6.016 8.157 -21.543 315 2HB ARG 45 1HB ARG 45 4.686 9.283 -21.315 316 1HG ARG 45 1HG ARG 45 6.726 10.505 -21.626 317 2HG ARG 45 1HG ARG 45 6.169 10.720 -19.970 318 1HD ARG 45 1HD ARG 45 7.778 9.054 -19.198 319 2HD ARG 45 1HD ARG 45 8.319 8.805 -20.857 320 HE ARG 45 HE ARG 45 8.583 11.521 -20.325 321 1HH1 ARG 45 1HH1 ARG 45 9.895 8.526 -19.075 322 2HH1 ARG 45 2HH1 ARG 45 11.430 9.214 -18.661 323 1HH2 ARG 45 1HH2 ARG 45 10.613 12.430 -19.809 324 2HH2 ARG 45 2HH2 ARG 45 11.836 11.444 -19.055 325 H GLY 46 H GLY 46 3.477 7.976 -17.715 326 1HA GLY 46 2HA GLY 46 1.460 6.621 -19.347 327 2HA GLY 46 1HA GLY 46 1.435 6.789 -17.595 328 H ARG 47 H ARG 47 -0.807 7.474 -17.894 329 HA ARG 47 HA ARG 47 -1.065 10.198 -18.980 330 1HB ARG 47 1HB ARG 47 -2.675 8.115 -19.449 331 2HB ARG 47 1HB ARG 47 -3.429 8.684 -17.966 332 1HG ARG 47 1HG ARG 47 -3.020 10.297 -20.480 333 2HG ARG 47 1HG ARG 47 -4.539 9.600 -19.921 334 1HD ARG 47 1HD ARG 47 -2.948 11.629 -18.359 335 2HD ARG 47 1HD ARG 47 -4.247 12.053 -19.472 336 HE ARG 47 HE ARG 47 -5.411 10.258 -17.786 337 1HH1 ARG 47 1HH1 ARG 47 -3.550 13.180 -17.254 338 2HH1 ARG 47 2HH1 ARG 47 -4.468 13.672 -15.864 339 1HH2 ARG 47 1HH2 ARG 47 -6.626 10.905 -15.939 340 2HH2 ARG 47 2HH2 ARG 47 -6.207 12.382 -15.125 341 H GLY 48 H GLY 48 -2.314 8.352 -16.188 342 1HA GLY 48 2HA GLY 48 -1.693 9.159 -13.939 343 2HA GLY 48 1HA GLY 48 -1.904 10.786 -14.565 344 HA PRO 49 HA PRO 49 -2.332 11.643 -13.001 345 1HB PRO 49 1HB PRO 49 -3.747 12.821 -10.991 346 2HB PRO 49 1HB PRO 49 -3.852 13.322 -12.681 347 1HG PRO 49 1HG PRO 49 -5.855 12.001 -11.042 348 2HG PRO 49 1HG PRO 49 -6.031 12.712 -12.652 349 1HD PRO 49 1HD PRO 49 -5.662 9.907 -11.890 350 2HD PRO 49 1HD PRO 49 -6.180 10.590 -13.446 351 H PHE 50 H PHE 50 -0.948 10.094 -12.106 352 HA PHE 50 HA PHE 50 -1.435 9.469 -9.296 353 1HB PHE 50 1HB PHE 50 -0.925 7.126 -9.561 354 2HB PHE 50 1HB PHE 50 -2.240 7.538 -10.652 355 HD1 PHE 50 HD1 PHE 50 -1.772 7.784 -13.092 356 HD2 PHE 50 HD2 PHE 50 1.116 6.258 -10.364 357 HE1 PHE 50 HE1 PHE 50 -0.513 6.814 -14.971 358 HE2 PHE 50 HE2 PHE 50 2.378 5.288 -12.237 359 HZ PHE 50 HZ PHE 50 1.568 5.564 -14.545 360 H ARG 51 H ARG 51 0.301 9.632 -8.058 361 HA ARG 51 HA ARG 51 2.947 9.604 -9.349 362 1HB ARG 51 1HB ARG 51 2.256 11.675 -8.042 363 2HB ARG 51 1HB ARG 51 2.289 10.673 -6.596 364 1HG ARG 51 1HG ARG 51 4.358 11.840 -6.715 365 2HG ARG 51 1HG ARG 51 4.682 10.150 -7.114 366 1HD ARG 51 1HD ARG 51 5.894 11.437 -8.690 367 2HD ARG 51 1HD ARG 51 4.482 10.819 -9.547 368 HE ARG 51 HE ARG 51 4.886 13.591 -8.644 369 1HH1 ARG 51 1HH1 ARG 51 3.118 11.268 -10.582 370 2HH1 ARG 51 2HH1 ARG 51 2.238 12.474 -11.467 371 1HH2 ARG 51 1HH2 ARG 51 3.759 15.185 -9.828 372 2HH2 ARG 51 2HH2 ARG 51 2.610 14.701 -11.037 373 H LEU 52 H LEU 52 3.689 7.565 -9.249 374 HA LEU 52 HA LEU 52 2.874 5.713 -7.246 375 1HB LEU 52 1HB LEU 52 3.552 5.031 -9.522 376 2HB LEU 52 1HB LEU 52 5.193 5.540 -9.178 377 HG LEU 52 HG LEU 52 5.333 3.820 -7.398 378 1HD1 LEU 52 1HD1 LEU 52 2.946 3.695 -6.874 379 2HD1 LEU 52 2HD1 LEU 52 3.620 2.106 -7.234 380 3HD1 LEU 52 3HD1 LEU 52 2.645 2.947 -8.440 381 1HD2 LEU 52 1HD2 LEU 52 5.470 1.893 -8.891 382 2HD2 LEU 52 2HD2 LEU 52 6.146 3.334 -9.649 383 3HD2 LEU 52 3HD2 LEU 52 4.541 2.766 -10.111 384 H VAL 53 H VAL 53 3.432 6.058 -5.206 385 HA VAL 53 HA VAL 53 5.924 7.328 -4.511 386 HB VAL 53 HB VAL 53 3.870 6.092 -2.667 387 1HG1 VAL 53 1HG1 VAL 53 4.835 7.581 -0.976 388 2HG1 VAL 53 2HG1 VAL 53 6.038 8.120 -2.145 389 3HG1 VAL 53 3HG1 VAL 53 6.029 6.443 -1.602 390 1HG2 VAL 53 1HG2 VAL 53 2.974 8.350 -2.404 391 2HG2 VAL 53 2HG2 VAL 53 2.852 7.806 -4.077 392 3HG2 VAL 53 3HG2 VAL 53 4.114 8.946 -3.611 393 H ALA 54 H ALA 54 4.428 4.186 -3.691 394 HA ALA 54 HA ALA 54 6.990 2.880 -3.959 395 1HB ALA 54 1HB ALA 54 7.160 3.769 -1.691 396 2HB ALA 54 2HB ALA 54 7.069 2.005 -1.685 397 3HB ALA 54 3HB ALA 54 5.651 2.963 -1.261 398 H THR 55 H THR 55 6.835 0.551 -3.628 399 HA THR 55 HA THR 55 4.173 -0.607 -3.520 400 HB THR 55 HB THR 55 6.026 -1.118 -5.864 401 HG1 THR 55 HG1 THR 55 4.167 0.775 -5.467 402 1HG2 THR 55 1HG2 THR 55 3.255 -2.165 -5.278 403 2HG2 THR 55 2HG2 THR 55 4.750 -3.099 -5.186 404 3HG2 THR 55 3HG2 THR 55 4.190 -2.477 -6.739 405 H TRP 56 H TRP 56 4.316 -2.216 -2.117 406 HA TRP 56 HA TRP 56 6.913 -3.539 -1.732 407 1HB TRP 56 1HB TRP 56 4.503 -3.339 0.081 408 2HB TRP 56 1HB TRP 56 5.966 -4.236 0.464 409 HD1 TRP 56 HD TRP 56 8.150 -2.810 1.094 410 HE1 TRP 56 HE1 TRP 56 8.432 -0.387 1.911 411 HE3 TRP 56 HE3 TRP 56 3.540 -0.982 -0.160 412 HZ2 TRP 56 HZ2 TRP 56 6.910 1.979 2.008 413 HZ3 TRP 56 HZ3 TRP 56 3.036 1.375 0.330 414 HH2 TRP 56 HH TRP 56 4.688 2.824 1.391 415 H ALA 57 H ALA 57 7.153 -5.634 -2.237 416 HA ALA 57 HA ALA 57 4.752 -7.119 -3.074 417 1HB ALA 57 1HB ALA 57 7.623 -7.505 -3.905 418 2HB ALA 57 2HB ALA 57 6.360 -6.732 -4.862 419 3HB ALA 57 3HB ALA 57 6.251 -8.450 -4.480 420 H PHE 58 H PHE 58 4.150 -8.801 -1.895 421 HA PHE 58 HA PHE 58 6.153 -10.202 -0.264 422 1HB PHE 58 1HB PHE 58 3.409 -9.358 0.698 423 2HB PHE 58 1HB PHE 58 4.536 -10.373 1.592 424 HD1 PHE 58 HD1 PHE 58 3.455 -7.061 0.971 425 HD2 PHE 58 HD2 PHE 58 6.847 -9.356 2.125 426 HE1 PHE 58 HE1 PHE 58 4.478 -5.053 1.955 427 HE2 PHE 58 HE2 PHE 58 7.878 -7.350 3.108 428 HZ PHE 58 HZ PHE 58 6.692 -5.196 3.023 429 HA PRO 59 HA PRO 59 3.993 -13.613 -2.148 430 1HB PRO 59 1HB PRO 59 5.868 -15.451 -1.723 431 2HB PRO 59 1HB PRO 59 6.153 -14.108 -2.836 432 1HG PRO 59 1HG PRO 59 7.175 -14.531 -0.073 433 2HG PRO 59 1HG PRO 59 7.962 -13.745 -1.453 434 1HD PRO 59 1HD PRO 59 6.607 -12.477 0.683 435 2HD PRO 59 1HD PRO 59 7.179 -11.717 -0.816 436 H SER 60 H SER 60 3.681 -12.863 0.840 437 HA SER 60 HA SER 60 3.054 -15.566 1.823 438 1HB SER 60 1HB SER 60 3.852 -13.163 3.485 439 2HB SER 60 1HB SER 60 3.541 -14.797 4.079 440 HG SER 60 HG SER 60 5.772 -14.445 3.833 441 H LYS 61 H LYS 61 1.098 -15.924 2.705 442 HA LYS 61 HA LYS 61 -1.069 -14.329 1.928 443 1HB LYS 61 1HB LYS 61 -1.304 -16.708 2.311 444 2HB LYS 61 1HB LYS 61 -0.895 -16.512 4.010 445 1HG LYS 61 1HG LYS 61 -2.942 -15.142 4.288 446 2HG LYS 61 1HG LYS 61 -3.376 -15.522 2.621 447 1HD LYS 61 1HD LYS 61 -2.928 -17.540 4.818 448 2HD LYS 61 1HD LYS 61 -4.503 -17.002 4.234 449 1HE LYS 61 1HE LYS 61 -2.439 -18.269 2.456 450 2HE LYS 61 1HE LYS 61 -3.662 -19.202 3.314 451 1HZ LYS 61 1HZ LYS 61 -4.276 -18.646 1.008 452 2HZ LYS 61 2HZ LYS 61 -4.267 -17.001 1.414 453 3HZ LYS 61 3HZ LYS 61 -5.378 -18.051 2.151 454 H GLU 62 H GLU 62 0.176 -14.905 5.239 455 HA GLU 62 HA GLU 62 -1.606 -13.166 6.521 456 1HB GLU 62 1HB GLU 62 -0.154 -14.859 7.673 457 2HB GLU 62 1HB GLU 62 1.212 -13.771 7.428 458 1HG GLU 62 1HG GLU 62 -0.277 -12.030 8.621 459 2HG GLU 62 1HG GLU 62 -1.171 -13.437 9.190 460 H GLU 63 H GLU 63 1.693 -12.597 5.370 461 HA GLU 63 HA GLU 63 2.000 -9.980 6.254 462 1HB GLU 63 1HB GLU 63 3.741 -11.532 5.228 463 2HB GLU 63 1HB GLU 63 3.108 -11.049 3.659 464 1HG GLU 63 1HG GLU 63 5.037 -9.738 4.125 465 2HG GLU 63 1HG GLU 63 3.620 -8.697 4.243 466 H ALA 64 H ALA 64 0.716 -11.215 3.191 467 HA ALA 64 HA ALA 64 0.226 -8.746 1.957 468 1HB ALA 64 1HB ALA 64 -1.235 -9.999 0.459 469 2HB ALA 64 2HB ALA 64 -1.231 -11.364 1.577 470 3HB ALA 64 3HB ALA 64 0.259 -10.885 0.763 471 H MET 65 H MET 65 -1.930 -10.882 3.772 472 HA MET 65 HA MET 65 -4.258 -9.320 3.533 473 1HB MET 65 1HB MET 65 -4.176 -11.733 4.138 474 2HB MET 65 1HB MET 65 -3.517 -11.295 5.706 475 1HG MET 65 1HG MET 65 -5.585 -10.013 6.161 476 2HG MET 65 1HG MET 65 -6.242 -10.611 4.638 477 1HE MET 65 1HE MET 65 -6.304 -14.505 5.333 478 2HE MET 65 2HE MET 65 -4.939 -13.610 4.667 479 3HE MET 65 3HE MET 65 -6.581 -13.242 4.131 480 H ARG 66 H ARG 66 -1.874 -9.602 6.131 481 HA ARG 66 HA ARG 66 -3.120 -7.811 7.915 482 1HB ARG 66 1HB ARG 66 -1.561 -9.312 8.847 483 2HB ARG 66 1HB ARG 66 -0.320 -8.885 7.679 484 1HG ARG 66 1HG ARG 66 -0.135 -6.665 8.712 485 2HG ARG 66 1HG ARG 66 -1.344 -7.137 9.907 486 1HD ARG 66 1HD ARG 66 1.155 -8.739 9.494 487 2HD ARG 66 1HD ARG 66 1.145 -7.314 10.533 488 HE ARG 66 HE ARG 66 -0.528 -9.707 10.979 489 1HH1 ARG 66 1HH1 ARG 66 1.310 -6.965 12.149 490 2HH1 ARG 66 2HH1 ARG 66 1.089 -7.373 13.826 491 1HH2 ARG 66 1HH2 ARG 66 -0.802 -10.255 13.192 492 2HH2 ARG 66 2HH2 ARG 66 -0.107 -9.234 14.420 493 H TRP 67 H TRP 67 -0.581 -7.352 5.485 494 HA TRP 67 HA TRP 67 0.204 -4.778 6.178 495 1HB TRP 67 1HB TRP 67 0.666 -6.573 4.035 496 2HB TRP 67 1HB TRP 67 0.227 -5.021 3.327 497 HD1 TRP 67 HD TRP 67 2.943 -6.715 5.391 498 HE1 TRP 67 HE1 TRP 67 5.009 -5.180 5.469 499 HE3 TRP 67 HE3 TRP 67 0.921 -2.562 3.219 500 HZ2 TRP 67 HZ2 TRP 67 5.681 -2.537 4.693 501 HZ3 TRP 67 HZ3 TRP 67 2.335 -0.574 2.915 502 HH2 TRP 67 HH TRP 67 4.661 -0.566 3.635 503 H GLU 68 H GLU 68 -2.268 -5.748 3.795 504 HA GLU 68 HA GLU 68 -3.031 -3.146 3.064 505 1HB GLU 68 1HB GLU 68 -3.649 -5.198 1.825 506 2HB GLU 68 1HB GLU 68 -4.741 -5.631 3.125 507 1HG GLU 68 1HG GLU 68 -5.445 -3.027 2.414 508 2HG GLU 68 1HG GLU 68 -5.159 -3.868 0.893 509 H TYR 69 H TYR 69 -4.509 -5.398 5.336 510 HA TYR 69 HA TYR 69 -6.615 -3.785 6.190 511 1HB TYR 69 1HB TYR 69 -6.453 -6.219 6.548 512 2HB TYR 69 1HB TYR 69 -5.184 -5.951 7.733 513 HD1 TYR 69 HD1 TYR 69 -8.702 -4.931 7.027 514 HD2 TYR 69 HD2 TYR 69 -5.771 -5.860 9.967 515 HE1 TYR 69 HE1 TYR 69 -10.417 -4.777 8.780 516 HE2 TYR 69 HE2 TYR 69 -7.479 -5.705 11.728 517 HH TYR 69 HH TYR 69 -10.814 -5.612 11.043 518 H GLU 70 H GLU 70 -3.338 -4.105 7.475 519 HA GLU 70 HA GLU 70 -3.749 -2.541 9.786 520 1HB GLU 70 1HB GLU 70 -1.789 -4.084 9.275 521 2HB GLU 70 1HB GLU 70 -1.148 -2.784 8.280 522 1HG GLU 70 1HG GLU 70 -1.042 -1.322 10.209 523 2HG GLU 70 1HG GLU 70 -1.764 -2.578 11.219 524 H VAL 71 H VAL 71 -2.421 -1.697 6.579 525 HA VAL 71 HA VAL 71 -2.119 1.053 7.054 526 HB VAL 71 HB VAL 71 -2.706 -0.327 4.424 527 1HG1 VAL 71 1HG1 VAL 71 -3.145 2.067 4.295 528 2HG1 VAL 71 2HG1 VAL 71 -1.690 1.647 3.387 529 3HG1 VAL 71 3HG1 VAL 71 -1.552 2.407 4.974 530 1HG2 VAL 71 1HG2 VAL 71 -0.701 -1.183 5.522 531 2HG2 VAL 71 2HG2 VAL 71 -0.085 0.463 5.689 532 3HG2 VAL 71 3HG2 VAL 71 -0.289 -0.242 4.086 533 H LYS 72 H LYS 72 -4.913 -0.833 6.024 534 HA LYS 72 HA LYS 72 -6.711 1.153 5.344 535 1HB LYS 72 1HB LYS 72 -7.145 -1.411 6.876 536 2HB LYS 72 1HB LYS 72 -8.468 -0.376 6.361 537 1HG LYS 72 1HG LYS 72 -6.464 -1.523 4.441 538 2HG LYS 72 1HG LYS 72 -7.950 -2.360 4.897 539 1HD LYS 72 1HD LYS 72 -9.242 -0.391 4.138 540 2HD LYS 72 1HD LYS 72 -7.738 0.349 3.586 541 1HE LYS 72 1HE LYS 72 -8.952 -0.724 1.748 542 2HE LYS 72 1HE LYS 72 -7.388 -1.488 2.029 543 1HZ LYS 72 1HZ LYS 72 -9.910 -2.537 3.183 544 2HZ LYS 72 2HZ LYS 72 -8.407 -3.325 3.073 545 3HZ LYS 72 3HZ LYS 72 -9.318 -3.030 1.673 546 H HIS 73 H HIS 73 -5.791 0.012 8.566 547 HA HIS 73 HA HIS 73 -7.636 1.894 9.811 548 1HB HIS 73 1HB HIS 73 -5.892 -0.304 10.891 549 2HB HIS 73 1HB HIS 73 -6.708 0.838 11.951 550 HD1 HIS 73 HD1 HIS 73 -7.718 -1.658 12.674 551 HD2 HIS 73 HD2 HIS 73 -9.112 0.089 9.160 552 HE1 HIS 73 HE1 HIS 73 -9.902 -2.795 12.160 553 HE2 HIS 73 HE2 HIS 73 -10.669 -1.811 9.980 554 H LEU 74 H LEU 74 -4.553 2.129 8.650 555 HA LEU 74 HA LEU 74 -3.319 3.531 10.812 556 1HB LEU 74 1HB LEU 74 -2.620 3.410 7.878 557 2HB LEU 74 1HB LEU 74 -1.650 4.229 9.087 558 HG LEU 74 HG LEU 74 -2.184 1.270 8.876 559 1HD1 LEU 74 1HD1 LEU 74 0.361 2.882 8.711 560 2HD1 LEU 74 2HD1 LEU 74 -0.491 2.150 7.352 561 3HD1 LEU 74 3HD1 LEU 74 0.232 1.128 8.593 562 1HD2 LEU 74 1HD2 LEU 74 -0.776 1.025 10.862 563 2HD2 LEU 74 2HD2 LEU 74 -2.248 1.931 11.217 564 3HD2 LEU 74 3HD2 LEU 74 -0.714 2.781 11.033 565 H SER 75 H SER 75 -3.349 5.625 11.294 566 HA SER 75 HA SER 75 -5.208 7.359 9.979 567 1HB SER 75 1HB SER 75 -4.817 7.456 12.425 568 2HB SER 75 1HB SER 75 -3.157 7.970 12.128 569 HG SER 75 HG SER 75 -5.333 9.476 12.294 570 H ARG 76 H ARG 76 -4.486 9.582 9.283 571 HA ARG 76 HA ARG 76 -2.806 9.535 7.113 572 1HB ARG 76 1HB ARG 76 -2.596 12.055 7.478 573 2HB ARG 76 1HB ARG 76 -4.220 11.400 7.294 574 1HG ARG 76 1HG ARG 76 -4.591 11.513 9.668 575 2HG ARG 76 1HG ARG 76 -2.918 12.004 9.943 576 1HD ARG 76 1HD ARG 76 -3.280 14.104 8.886 577 2HD ARG 76 1HD ARG 76 -4.860 13.600 8.285 578 HE ARG 76 HE ARG 76 -5.396 13.431 10.804 579 1HH1 ARG 76 1HH1 ARG 76 -3.218 15.795 9.404 580 2HH1 ARG 76 2HH1 ARG 76 -3.636 17.031 10.543 581 1HH2 ARG 76 1HH2 ARG 76 -5.928 15.027 12.299 582 2HH2 ARG 76 2HH2 ARG 76 -5.186 16.596 12.212 583 H ARG 77 H ARG 77 -1.931 10.393 10.452 584 HA ARG 77 HA ARG 77 0.691 11.236 9.727 585 1HB ARG 77 1HB ARG 77 -0.594 11.952 11.801 586 2HB ARG 77 1HB ARG 77 -0.174 10.386 12.488 587 1HG ARG 77 1HG ARG 77 1.384 12.066 13.257 588 2HG ARG 77 1HG ARG 77 2.217 10.925 12.192 589 1HD ARG 77 1HD ARG 77 1.639 12.624 10.331 590 2HD ARG 77 1HD ARG 77 1.377 13.751 11.657 591 HE ARG 77 HE ARG 77 3.832 12.802 12.202 592 1HH1 ARG 77 1HH1 ARG 77 2.384 14.000 9.262 593 2HH1 ARG 77 2HH1 ARG 77 3.870 14.653 8.631 594 1HH2 ARG 77 1HH2 ARG 77 5.826 13.629 11.366 595 2HH2 ARG 77 2HH2 ARG 77 5.814 14.445 9.835 596 H LYS 78 H LYS 78 -0.714 8.167 10.597 597 HA LYS 78 HA LYS 78 1.834 6.953 11.148 598 1HB LYS 78 1HB LYS 78 -0.422 6.222 12.110 599 2HB LYS 78 1HB LYS 78 -0.724 5.477 10.546 600 1HG LYS 78 1HG LYS 78 0.129 3.882 12.208 601 2HG LYS 78 1HG LYS 78 1.199 4.039 10.812 602 1HD LYS 78 1HD LYS 78 2.628 5.571 12.088 603 2HD LYS 78 1HD LYS 78 1.563 5.399 13.484 604 1HE LYS 78 1HE LYS 78 2.961 3.076 12.176 605 2HE LYS 78 1HE LYS 78 3.665 3.994 13.504 606 1HZ LYS 78 1HZ LYS 78 2.510 1.950 14.211 607 2HZ LYS 78 2HZ LYS 78 1.046 2.589 13.640 608 3HZ LYS 78 3HZ LYS 78 1.862 3.347 14.919 609 H LYS 79 H LYS 79 -0.258 7.388 8.397 610 HA LYS 79 HA LYS 79 1.153 5.611 6.661 611 1HB LYS 79 1HB LYS 79 -0.563 8.014 5.988 612 2HB LYS 79 1HB LYS 79 -0.014 6.802 4.841 613 1HG LYS 79 1HG LYS 79 -1.272 5.088 6.092 614 2HG LYS 79 1HG LYS 79 -1.872 6.351 7.165 615 1HD LYS 79 1HD LYS 79 -3.559 5.915 5.538 616 2HD LYS 79 1HD LYS 79 -2.844 7.481 5.158 617 1HE LYS 79 1HE LYS 79 -1.479 6.461 3.421 618 2HE LYS 79 1HE LYS 79 -2.127 4.872 3.822 619 1HZ LYS 79 1HZ LYS 79 -4.345 5.695 3.205 620 2HZ LYS 79 2HZ LYS 79 -3.256 5.753 1.909 621 3HZ LYS 79 3HZ LYS 79 -3.662 7.174 2.733 622 H GLU 80 H GLU 80 1.352 9.048 7.457 623 HA GLU 80 HA GLU 80 3.496 9.693 5.730 624 1HB GLU 80 1HB GLU 80 2.730 10.916 8.394 625 2HB GLU 80 1HB GLU 80 3.847 11.627 7.236 626 1HG GLU 80 1HG GLU 80 2.045 11.791 5.599 627 2HG GLU 80 1HG GLU 80 0.924 11.082 6.761 628 H GLN 81 H GLN 81 3.347 8.453 9.033 629 HA GLN 81 HA GLN 81 6.086 8.401 9.620 630 1HB GLN 81 1HB GLN 81 4.328 7.978 11.294 631 2HB GLN 81 1HB GLN 81 3.921 6.471 10.483 632 1HG GLN 81 1HG GLN 81 5.254 6.064 12.468 633 2HG GLN 81 1HG GLN 81 6.121 5.574 11.015 634 1HE2 GLN 81 1HE2 GLN 81 8.109 5.700 12.003 635 2HE2 GLN 81 2HE2 GLN 81 8.863 7.205 12.415 636 H LEU 82 H LEU 82 4.023 6.096 7.942 637 HA LEU 82 HA LEU 82 5.924 4.030 7.699 638 1HB LEU 82 1HB LEU 82 3.289 4.263 7.189 639 2HB LEU 82 1HB LEU 82 3.907 4.389 5.557 640 HG LEU 82 HG LEU 82 4.604 2.090 7.380 641 1HD1 LEU 82 1HD1 LEU 82 2.183 2.192 7.100 642 2HD1 LEU 82 2HD1 LEU 82 2.875 0.813 6.243 643 3HD1 LEU 82 3HD1 LEU 82 2.386 2.251 5.348 644 1HD2 LEU 82 1HD2 LEU 82 4.727 2.412 4.380 645 2HD2 LEU 82 2HD2 LEU 82 5.149 0.961 5.284 646 3HD2 LEU 82 3HD2 LEU 82 6.104 2.428 5.479 647 H VAL 83 H VAL 83 5.118 6.797 5.653 648 HA VAL 83 HA VAL 83 6.939 6.128 3.571 649 HB VAL 83 HB VAL 83 5.543 8.706 4.275 650 1HG1 VAL 83 1HG1 VAL 83 7.282 8.160 1.864 651 2HG1 VAL 83 2HG1 VAL 83 7.655 9.285 3.167 652 3HG1 VAL 83 3HG1 VAL 83 6.278 9.589 2.109 653 1HG2 VAL 83 1HG2 VAL 83 5.216 6.660 2.100 654 2HG2 VAL 83 2HG2 VAL 83 4.322 8.179 2.187 655 3HG2 VAL 83 3HG2 VAL 83 4.119 6.961 3.445 656 H SER 84 H SER 84 7.353 7.491 6.689 657 HA SER 84 HA SER 84 9.786 8.873 6.187 658 1HB SER 84 1HB SER 84 8.825 7.614 8.772 659 2HB SER 84 1HB SER 84 10.092 8.831 8.616 660 HG SER 84 HG SER 84 7.469 9.300 7.654 661 H LEU 85 H LEU 85 8.998 5.645 6.006 662 HA LEU 85 HA LEU 85 11.760 4.762 6.454 663 1HB LEU 85 1HB LEU 85 9.194 3.217 6.081 664 2HB LEU 85 1HB LEU 85 10.769 2.458 6.085 665 HG LEU 85 HG LEU 85 9.937 2.098 8.234 666 1HD1 LEU 85 1HD1 LEU 85 12.229 2.900 8.252 667 2HD1 LEU 85 2HD1 LEU 85 11.370 3.378 9.717 668 3HD1 LEU 85 3HD1 LEU 85 11.656 4.558 8.436 669 1HD2 LEU 85 1HD2 LEU 85 8.925 3.798 9.647 670 2HD2 LEU 85 2HD2 LEU 85 8.045 3.637 8.129 671 3HD2 LEU 85 3HD2 LEU 85 9.137 4.999 8.374 672 H LYS 86 H LYS 86 10.607 6.365 4.113 673 HA LYS 86 HA LYS 86 12.037 4.925 2.053 674 1HB LYS 86 1HB LYS 86 9.876 3.841 1.867 675 2HB LYS 86 1HB LYS 86 9.049 5.384 1.883 676 1HG LYS 86 1HG LYS 86 10.958 4.689 -0.321 677 2HG LYS 86 1HG LYS 86 9.291 4.118 -0.342 678 1HD LYS 86 1HD LYS 86 8.593 6.528 -0.034 679 2HD LYS 86 1HD LYS 86 10.272 6.965 -0.334 680 1HE LYS 86 1HE LYS 86 8.412 5.529 -2.214 681 2HE LYS 86 1HE LYS 86 8.996 7.183 -2.367 682 1HZ LYS 86 1HZ LYS 86 10.290 5.912 -3.817 683 2HZ LYS 86 2HZ LYS 86 10.517 4.666 -2.690 684 3HZ LYS 86 3HZ LYS 86 11.294 6.158 -2.469 685 H GLY 87 H GLY 87 12.840 6.299 0.511 686 1HA GLY 87 2HA GLY 87 12.523 8.310 -0.849 687 2HA GLY 87 1HA GLY 87 11.845 9.083 0.580 688 H GLY 88 H GLY 88 13.816 8.041 2.389 689 1HA GLY 88 2HA GLY 88 15.859 8.586 3.265 690 2HA GLY 88 1HA GLY 88 16.452 8.618 1.613 691 HA PRO 89 HA PRO 89 16.957 12.915 2.652 692 1HB PRO 89 1HB PRO 89 18.661 13.550 0.682 693 2HB PRO 89 1HB PRO 89 19.139 12.536 2.046 694 1HG PRO 89 1HG PRO 89 18.539 11.771 -0.757 695 2HG PRO 89 1HG PRO 89 19.663 11.036 0.395 696 1HD PRO 89 1HD PRO 89 17.069 10.123 -0.251 697 2HD PRO 89 1HD PRO 89 18.097 9.554 1.075 698 H TYR 90 H TYR 90 14.996 13.879 2.283 699 HA TYR 90 HA TYR 90 14.755 15.180 -0.343 700 1HB TYR 90 1HB TYR 90 12.626 13.953 1.394 701 2HB TYR 90 1HB TYR 90 12.245 15.255 0.284 702 HD1 TYR 90 HD1 TYR 90 11.812 11.965 0.574 703 HD2 TYR 90 HD2 TYR 90 13.686 14.669 -2.119 704 HE1 TYR 90 HE1 TYR 90 11.555 10.327 -1.240 705 HE2 TYR 90 HE2 TYR 90 13.431 13.040 -3.943 706 HH TYR 90 HH TYR 90 11.428 10.340 -3.732 707 H GLU 91 H GLU 91 16.207 16.051 1.910 708 HA GLU 91 HA GLU 91 14.562 17.562 3.704 709 1HB GLU 91 1HB GLU 91 17.550 17.787 3.459 710 2HB GLU 91 1HB GLU 91 16.548 18.002 4.891 711 1HG GLU 91 1HG GLU 91 17.112 15.417 3.460 712 2HG GLU 91 1HG GLU 91 17.764 15.922 5.020 713 H ASN 92 H ASN 92 14.469 19.769 3.972 714 HA ASN 92 HA ASN 92 14.434 21.977 3.456 715 1HB ASN 92 1HB ASN 92 16.898 21.738 3.078 716 2HB ASN 92 1HB ASN 92 16.564 21.401 1.382 717 1HD2 ASN 92 1HD2 ASN 92 17.646 23.174 0.616 718 2HD2 ASN 92 2HD2 ASN 92 17.076 24.796 0.838 719 H THR 93 H THR 93 14.782 20.011 0.529 720 HA THR 93 HA THR 93 12.906 21.701 -0.909 721 HB THR 93 HB THR 93 14.966 20.839 -2.001 722 HG1 THR 93 HG1 THR 93 13.925 20.815 -3.842 723 1HG2 THR 93 1HG2 THR 93 15.058 18.646 -0.890 724 2HG2 THR 93 2HG2 THR 93 15.134 18.493 -2.645 725 3HG2 THR 93 3HG2 THR 93 13.632 18.135 -1.794 726 H THR 94 H THR 94 12.242 19.810 1.423 727 HA THR 94 HA THR 94 10.741 17.624 0.554 728 HB THR 94 HB THR 94 9.952 19.264 2.954 729 HG1 THR 94 HG1 THR 94 12.291 17.699 2.556 730 1HG2 THR 94 1HG2 THR 94 9.526 17.051 3.926 731 2HG2 THR 94 2HG2 THR 94 10.078 16.290 2.433 732 3HG2 THR 94 3HG2 THR 94 8.618 17.282 2.432 733 H LYS 95 H LYS 95 9.355 20.631 1.833 734 HA LYS 95 HA LYS 95 7.633 21.031 -0.426 735 1HB LYS 95 1HB LYS 95 6.470 19.186 0.784 736 2HB LYS 95 1HB LYS 95 6.377 20.213 2.206 737 1HG LYS 95 1HG LYS 95 5.028 21.822 0.900 738 2HG LYS 95 1HG LYS 95 5.046 20.689 -0.451 739 1HD LYS 95 1HD LYS 95 3.839 19.053 0.806 740 2HD LYS 95 1HD LYS 95 4.006 19.993 2.292 741 1HE LYS 95 1HE LYS 95 2.485 20.880 -0.157 742 2HE LYS 95 1HE LYS 95 1.755 20.163 1.278 743 1HZ LYS 95 1HZ LYS 95 2.695 22.031 2.573 744 2HZ LYS 95 2HZ LYS 95 1.557 22.523 1.417 745 3HZ LYS 95 3HZ LYS 95 3.214 22.749 1.126 746 H LEU 96 H LEU 96 9.618 22.338 1.433 747 HA LEU 96 HA LEU 96 9.991 24.288 2.554 748 1HB LEU 96 1HB LEU 96 7.445 25.323 1.328 749 2HB LEU 96 1HB LEU 96 8.884 26.224 1.760 750 HG LEU 96 HG LEU 96 8.579 24.316 -0.554 751 1HD1 LEU 96 1HD1 LEU 96 8.959 26.310 -1.906 752 2HD1 LEU 96 2HD1 LEU 96 9.014 27.292 -0.441 753 3HD1 LEU 96 3HD1 LEU 96 7.521 26.469 -0.897 754 1HD2 LEU 96 1HD2 LEU 96 10.861 24.965 -1.158 755 2HD2 LEU 96 2HD2 LEU 96 10.798 24.101 0.378 756 3HD2 LEU 96 3HD2 LEU 96 11.003 25.854 0.359 757 H SER 97 H SER 97 8.531 22.269 3.913 758 HA SER 97 HA SER 97 6.288 23.605 5.210 759 1HB SER 97 1HB SER 97 6.167 21.199 4.349 760 2HB SER 97 1HB SER 97 7.236 20.774 5.682 761 HG SER 97 HG SER 97 5.645 21.032 7.065 762 H THR 98 H THR 98 8.787 21.404 6.450 763 HA THR 98 HA THR 98 10.129 21.474 8.285 764 HB THR 98 HB THR 98 10.321 24.453 8.062 765 HG1 THR 98 HG1 THR 98 11.203 24.374 6.074 766 1HG2 THR 98 1HG2 THR 98 12.380 22.250 8.197 767 2HG2 THR 98 2HG2 THR 98 11.778 23.166 9.581 768 3HG2 THR 98 3HG2 THR 98 12.695 23.980 8.312 769 H THR 99 H THR 99 7.571 21.306 9.009 770 HA THR 99 HA THR 99 6.494 23.492 10.433 771 HB THR 99 HB THR 99 5.649 20.658 10.923 772 HG1 THR 99 HG1 THR 99 4.658 22.053 8.691 773 1HG2 THR 99 1HG2 THR 99 4.149 23.260 10.565 774 2HG2 THR 99 2HG2 THR 99 4.458 22.439 12.094 775 3HG2 THR 99 3HG2 THR 99 3.411 21.692 10.886
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