NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13698 | 1vfc | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 2H5* G 1 H5' GUA 1 8.926 -15.169 10.842 2 H4* G 1 H4' GUA 1 10.577 -13.283 11.271 3 H3* G 1 H3' GUA 1 8.200 -13.127 10.046 4 H1* G 1 H1' GUA 1 11.367 -11.814 8.175 5 H8 G 1 8H GUA 1 9.950 -15.141 6.825 6 H1 G 1 1H GUA 1 15.125 -12.867 3.792 7 1H2 G 1 1H2 GUA 1 15.112 -10.415 6.234 8 2H2 G 1 2H2 GUA 1 15.876 -11.072 4.805 9 2H2* G 1 H2' GUA 1 9.016 -11.786 7.838 10 H5T G 1 H5T GUA 1 10.408 -16.574 9.236 11 2H5* T 2 H5' THY 2 10.801 -8.843 10.412 12 H4* T 2 H4' THY 2 12.168 -7.689 9.043 13 H3* T 2 H3' THY 2 9.641 -6.826 8.701 14 2H2* T 2 H2' THY 2 9.718 -6.657 5.992 15 H1* T 2 H1' THY 2 11.839 -7.658 5.592 16 H3 T 2 3H THY 2 11.437 -10.741 2.405 17 1H5M T 2 1H7 THY 2 8.878 -13.289 5.705 18 2H5M T 2 2H7 THY 2 7.705 -12.569 4.576 19 3H5M T 2 3H7 THY 2 7.842 -11.943 6.237 20 H6 T 2 6H THY 2 9.347 -10.191 6.657 21 2H5* T 3 H5' THY 3 13.202 -4.033 6.107 22 H4* T 3 H4' THY 3 14.217 -4.309 4.043 23 H3* T 3 H3' THY 3 12.093 -2.658 4.057 24 2H2* T 3 H2' THY 3 10.970 -3.524 1.754 25 H1* T 3 H1' THY 3 12.420 -5.367 1.301 26 H3 T 3 3H THY 3 10.120 -9.073 0.373 27 1H5M T 3 1H7 THY 3 8.325 -8.519 4.962 28 2H5M T 3 2H7 THY 3 7.071 -8.151 3.754 29 3H5M T 3 3H7 THY 3 7.827 -6.834 4.682 30 H6 T 3 6H THY 3 9.944 -5.963 3.984 31 2H5* A 4 H5' ADE 4 14.564 -2.399 -0.657 32 H4* A 4 H4' ADE 4 14.417 -3.693 -2.570 33 H3* A 4 H3' ADE 4 12.720 -1.592 -2.469 34 H1* A 4 H1' ADE 4 11.497 -5.076 -3.623 35 H8 A 4 8H ADE 4 10.310 -4.222 -0.020 36 1H6 A 4 1H6 ADE 4 7.190 -7.917 0.460 37 2H6 A 4 2H6 ADE 4 6.742 -9.251 -0.579 38 H2 A 4 2H ADE 4 9.162 -8.836 -4.333 39 2H2* A 4 H2' ADE 4 10.584 -2.864 -3.539 40 2H5* G 5 H5' GUA 5 13.102 -3.906 -6.929 41 H4* G 5 H4' GUA 5 12.015 -5.440 -8.165 42 H3* G 5 H3' GUA 5 10.862 -3.037 -8.560 43 H1* G 5 H1' GUA 5 8.668 -6.156 -7.859 44 H8 G 5 8H GUA 5 9.016 -3.834 -4.771 45 H1 G 5 1H GUA 5 4.695 -8.552 -4.302 46 1H2 G 5 1H2 GUA 5 5.778 -9.452 -7.462 47 2H2 G 5 2H2 GUA 5 4.708 -9.783 -6.118 48 2H2* G 5 H2' GUA 5 8.292 -3.877 -8.484 49 2H5* G 6 H5' GUA 6 9.150 -6.663 -11.660 50 H4* G 6 H4' GUA 6 7.377 -8.049 -11.904 51 H3* G 6 H3' GUA 6 6.806 -5.623 -12.921 52 H1* G 6 H1' GUA 6 4.255 -7.392 -10.592 53 H8 G 6 8H GUA 6 6.187 -4.526 -8.836 54 H1 G 6 1H GUA 6 1.348 -7.126 -5.524 55 1H2 G 6 1H2 GUA 6 1.033 -9.255 -8.234 56 2H2 G 6 2H2 GUA 6 0.450 -8.779 -6.654 57 2H2* G 6 H2' GUA 6 4.290 -5.421 -11.944 58 2H5* G 7 H5' GUA 7 3.217 -9.137 -14.221 59 H4* G 7 H4' GUA 7 1.217 -9.903 -13.392 60 H3* G 7 H3' GUA 7 0.943 -7.819 -15.060 61 H1* G 7 H1' GUA 7 -0.927 -7.774 -11.643 62 H8 G 7 8H GUA 7 2.256 -5.560 -11.711 63 H1 G 7 1H GUA 7 -1.476 -5.001 -6.524 64 1H2 G 7 1H2 GUA 7 -3.397 -7.465 -8.010 65 2H2 G 7 2H2 GUA 7 -3.171 -6.391 -6.647 66 2H2* G 7 H2' GUA 7 -0.889 -6.442 -13.617 67 2H5* T 8 H5' THY 8 -3.368 -9.864 -13.442 68 H4* T 8 H4' THY 8 -4.912 -9.498 -11.796 69 H3* T 8 H3' THY 8 -5.548 -8.251 -14.106 70 2H2* T 8 H2' THY 8 -6.431 -5.947 -12.990 71 H1* T 8 H1' THY 8 -5.822 -6.388 -10.720 72 H3 T 8 3H THY 8 -3.837 -2.734 -9.134 73 1H5M T 8 1H7 THY 8 -0.167 -4.379 -12.241 74 2H5M T 8 2H7 THY 8 -1.211 -3.881 -13.596 75 3H5M T 8 3H7 THY 8 -0.646 -2.673 -12.418 76 H6 T 8 6H THY 8 -2.785 -5.682 -12.733 77 2H5* T 9 H5' THY 9 -9.146 -8.449 -10.614 78 H4* T 9 H4' THY 9 -10.089 -7.200 -8.999 79 H3* T 9 H3' THY 9 -11.247 -6.581 -11.347 80 2H2* T 9 H2' THY 9 -11.306 -3.896 -11.004 81 H1* T 9 H1' THY 9 -10.061 -3.747 -8.971 82 H3 T 9 3H THY 9 -6.936 -0.594 -9.365 83 1H5M T 9 1H7 THY 9 -4.825 -3.484 -12.644 84 2H5M T 9 2H7 THY 9 -6.296 -4.022 -13.486 85 3H5M T 9 3H7 THY 9 -5.776 -2.324 -13.602 86 H6 T 9 6H THY 9 -7.893 -4.538 -11.872 87 2H5* A 10 H5' ADE 10 -13.612 -4.356 -7.316 88 H4* A 10 H4' ADE 10 -13.361 -2.309 -6.367 89 H3* A 10 H3' ADE 10 -15.168 -2.237 -8.384 90 H1* A 10 H1' ADE 10 -12.467 0.502 -8.016 91 H8 A 10 8H ADE 10 -11.777 -1.856 -11.022 92 1H6 A 10 1H6 ADE 10 -8.013 0.613 -12.859 93 2H6 A 10 2H6 ADE 10 -7.150 2.043 -12.338 94 H2 A 10 2H ADE 10 -9.074 3.404 -8.525 95 2H2* A 10 H2' ADE 10 -14.400 0.157 -9.390 96 2H5* G 11 H5' GUA 11 -15.766 2.173 -5.330 97 H4* G 11 H4' GUA 11 -14.297 4.010 -5.276 98 H3* G 11 H3' GUA 11 -16.582 4.244 -6.718 99 H1* G 11 H1' GUA 11 -13.191 5.473 -8.090 100 H8 G 11 8H GUA 11 -14.259 2.108 -9.710 101 H1 G 11 1H GUA 11 -9.412 5.215 -12.539 102 1H2 G 11 1H2 GUA 11 -9.836 7.551 -10.022 103 2H2 G 11 2H2 GUA 11 -8.953 7.066 -11.453 104 2H2* G 11 H2' GUA 11 -15.485 5.620 -8.779 105 2H5* G 12 H5' GUA 12 -14.545 8.925 -5.434 106 H4* G 12 H4' GUA 12 -12.765 10.058 -6.404 107 H3* G 12 H3' GUA 12 -15.216 10.917 -7.119 108 H1* G 12 H1' GUA 12 -12.490 10.352 -9.813 109 H8 G 12 8H GUA 12 -14.959 7.362 -9.610 110 H1 G 12 1H GUA 12 -11.298 7.677 -14.868 111 1H2 G 12 1H2 GUA 12 -10.000 10.544 -13.430 112 2H2 G 12 2H2 GUA 12 -9.985 9.434 -14.782 113 2H2* G 12 H2' GUA 12 -14.704 11.262 -9.752 114 2H5* G 13 H5' GUA 13 -11.585 14.403 -8.680 115 H4* G 13 H4' GUA 13 -10.214 14.591 -10.587 116 H3* G 13 H3' GUA 13 -12.469 16.046 -10.514 117 H1* G 13 H1' GUA 13 -11.622 13.997 -13.705 118 H8 G 13 8H GUA 13 -14.207 12.218 -11.420 119 H1 G 13 1H GUA 13 -13.580 9.882 -17.360 120 1H2 G 13 1H2 GUA 13 -11.189 12.351 -17.758 121 2H2 G 13 2H2 GUA 13 -12.059 11.011 -18.470 122 H3T G 13 H3T GUA 13 -10.416 16.647 -11.378 123 2H2* G 13 H2' GUA 13 -13.268 15.602 -13.059 124 2H5* C 14 H5' CYT 14 -12.075 6.665 -25.651 125 H4* C 14 H4' CYT 14 -10.866 8.655 -24.822 126 H3* C 14 H3' CYT 14 -10.220 6.115 -24.224 127 H1* C 14 H1' CYT 14 -10.605 8.716 -21.361 128 1H4 C 14 1H4 CYT 14 -16.144 6.950 -18.177 129 2H4 C 14 2H4 CYT 14 -15.384 8.225 -17.253 130 H5 C 14 5H CYT 14 -15.238 6.119 -20.264 131 H6 C 14 6H CYT 14 -13.422 6.343 -21.878 132 2H2* C 14 H2' CYT 14 -9.873 6.453 -21.562 133 H5T C 14 H5T CYT 14 -14.200 6.682 -24.174 134 2H5* C 15 H5' CYT 15 -6.474 9.372 -22.516 135 H4* C 15 H4' CYT 15 -6.180 10.500 -20.535 136 H3* C 15 H3' CYT 15 -5.011 8.075 -20.578 137 H1* C 15 H1' CYT 15 -7.135 9.149 -17.507 138 1H4 C 15 1H4 CYT 15 -12.575 5.366 -17.759 139 2H4 C 15 2H4 CYT 15 -12.562 6.179 -16.211 140 H5 C 15 5H CYT 15 -10.848 5.692 -19.430 141 H6 C 15 6H CYT 15 -8.770 6.861 -19.948 142 2H2* C 15 H2' CYT 15 -5.706 7.321 -18.071 143 2H5* C 16 H5' CYT 16 -3.829 11.073 -16.717 144 H4* C 16 H4' CYT 16 -4.502 11.331 -14.581 145 H3* C 16 H3' CYT 16 -2.455 9.593 -14.655 146 H1* C 16 H1' CYT 16 -5.653 8.689 -12.625 147 1H4 C 16 1H4 CYT 16 -8.581 3.886 -16.133 148 2H4 C 16 2H4 CYT 16 -9.325 3.918 -14.551 149 H5 C 16 5H CYT 16 -6.805 5.400 -16.785 150 H6 C 16 6H CYT 16 -5.389 7.248 -16.048 151 2H2* C 16 H2' CYT 16 -3.476 7.775 -12.926 152 2H5* T 17 H5' THY 17 -3.666 11.345 -9.931 153 H4* T 17 H4' THY 17 -5.205 10.579 -8.443 154 H3* T 17 H3' THY 17 -2.753 9.551 -7.952 155 2H2* T 17 H2' THY 17 -3.569 7.038 -7.368 156 H1* T 17 H1' THY 17 -5.891 7.290 -7.916 157 H3 T 17 3H THY 17 -7.173 3.808 -10.379 158 1H5M T 17 1H7 THY 17 -4.178 5.739 -13.807 159 2H5M T 17 2H7 THY 17 -2.775 5.827 -12.717 160 3H5M T 17 3H7 THY 17 -3.464 4.245 -13.154 161 H6 T 17 6H THY 17 -3.747 7.080 -10.938 162 2H5* A 18 H5' ADE 18 -5.854 8.327 -3.950 163 H4* A 18 H4' ADE 18 -6.813 6.507 -2.986 164 H3* A 18 H3' ADE 18 -4.160 6.481 -2.638 165 H1* A 18 H1' ADE 18 -5.876 3.231 -4.047 166 H8 A 18 8H ADE 18 -3.765 5.266 -6.556 167 1H6 A 18 1H6 ADE 18 -4.406 2.368 -10.405 168 2H6 A 18 2H6 ADE 18 -5.375 0.937 -10.681 169 H2 A 18 2H ADE 18 -7.557 0.095 -6.854 170 2H2* A 18 H2' ADE 18 -3.761 3.852 -3.227 171 2H5* A 19 H5' ADE 19 -6.919 2.960 -0.723 172 H4* A 19 H4' ADE 19 -7.649 0.869 -1.083 173 H3* A 19 H3' ADE 19 -5.324 0.713 0.249 174 H1* A 19 H1' ADE 19 -5.837 -1.474 -2.945 175 H8 A 19 8H ADE 19 -3.510 1.587 -3.466 176 1H6 A 19 1H6 ADE 19 -2.092 0.495 -7.986 177 2H6 A 19 2H6 ADE 19 -2.522 -0.785 -9.101 178 H2 A 19 2H ADE 19 -5.544 -3.360 -7.016 179 2H2* A 19 H2' ADE 19 -4.222 -1.291 -1.208 180 2H5* C 20 H5' CYT 20 -7.745 -3.815 -0.032 181 H4* C 20 H4' CYT 20 -7.702 -5.645 -1.381 182 H3* C 20 H3' CYT 20 -5.890 -5.856 0.583 183 H1* C 20 H1' CYT 20 -4.802 -6.607 -3.081 184 1H4 C 20 1H4 CYT 20 -0.936 -1.493 -4.773 185 2H4 C 20 2H4 CYT 20 -0.772 -2.718 -6.012 186 H5 C 20 5H CYT 20 -2.385 -1.755 -2.848 187 H6 C 20 6H CYT 20 -3.963 -3.241 -1.727 188 2H2* C 20 H2' CYT 20 -3.835 -6.789 -0.909 189 2H5* C 21 H5' CYT 21 -6.454 -10.383 -1.913 190 H4* C 21 H4' CYT 21 -5.345 -11.379 -3.624 191 H3* C 21 H3' CYT 21 -4.158 -11.930 -1.276 192 H1* C 21 H1' CYT 21 -2.000 -10.779 -4.293 193 1H4 C 21 1H4 CYT 21 0.065 -4.680 -2.710 194 2H4 C 21 2H4 CYT 21 0.891 -5.158 -4.176 195 H5 C 21 5H CYT 21 -1.560 -6.092 -1.598 196 H6 C 21 6H CYT 21 -2.717 -8.239 -1.670 197 2H2* C 21 H2' CYT 21 -1.599 -11.600 -2.087 198 2H5* C 22 H5' CYT 22 -2.145 -14.526 -5.131 199 H4* C 22 H4' CYT 22 -0.291 -14.576 -6.427 200 H3* C 22 H3' CYT 22 0.209 -15.760 -4.068 201 H1* C 22 H1' CYT 22 2.717 -13.130 -5.451 202 1H4 C 22 1H4 CYT 22 2.037 -7.864 -1.485 203 2H4 C 22 2H4 CYT 22 3.389 -7.556 -2.550 204 H5 C 22 5H CYT 22 0.708 -9.886 -1.598 205 H6 C 22 6H CYT 22 0.411 -12.015 -2.754 206 2H2* C 22 H2' CYT 22 2.638 -14.655 -3.619 207 2H5* T 23 H5' THY 23 3.844 -16.006 -7.496 208 H4* T 23 H4' THY 23 5.762 -14.943 -8.026 209 H3* T 23 H3' THY 23 6.277 -16.910 -6.243 210 2H2* T 23 H2' THY 23 8.064 -15.519 -4.755 211 H1* T 23 H1' THY 23 7.815 -13.384 -5.807 212 H3 T 23 3H THY 23 7.451 -10.290 -2.626 213 1H5M T 23 1H7 THY 23 3.245 -13.593 -2.049 214 2H5M T 23 2H7 THY 23 3.380 -12.041 -1.189 215 3H5M T 23 3H7 THY 23 4.266 -13.465 -0.596 216 H6 T 23 6H THY 23 4.891 -14.179 -3.664 217 2H5* A 24 H5' ADE 24 10.474 -15.060 -8.651 218 H4* A 24 H4' ADE 24 11.884 -13.343 -8.196 219 H3* A 24 H3' ADE 24 12.764 -15.619 -7.064 220 H1* A 24 H1' ADE 24 12.671 -12.343 -4.989 221 H8 A 24 8H ADE 24 9.807 -14.795 -4.059 222 1H6 A 24 1H6 ADE 24 8.190 -12.369 -0.170 223 2H6 A 24 2H6 ADE 24 8.650 -10.853 0.574 224 H2 A 24 2H ADE 24 12.016 -9.179 -1.871 225 2H2* A 24 H2' ADE 24 13.491 -14.568 -4.682 226 2H5* A 25 H5' ADE 25 16.666 -11.957 -7.010 227 H4* A 25 H4' ADE 25 16.824 -10.114 -5.568 228 H3* A 25 H3' ADE 25 18.366 -12.262 -5.013 229 H1* A 25 H1' ADE 25 16.387 -10.471 -2.216 230 H8 A 25 8H ADE 25 14.652 -13.776 -3.314 231 1H6 A 25 1H6 ADE 25 11.551 -14.074 0.418 232 2H6 A 25 2H6 ADE 25 11.249 -13.058 1.808 233 H2 A 25 2H ADE 25 14.086 -9.597 1.526 234 2H2* A 25 H2' ADE 25 18.031 -12.211 -2.328 235 2H5* C 26 H5' CYT 26 19.752 -8.028 -2.317 236 H4* C 26 H4' CYT 26 18.967 -7.148 -0.315 237 H3* C 26 H3' CYT 26 21.240 -8.562 -0.137 238 H1* C 26 H1' CYT 26 18.362 -9.271 2.386 239 1H4 C 26 1H4 CYT 26 15.968 -15.189 0.594 240 2H4 C 26 2H4 CYT 26 15.320 -14.808 2.173 241 H5 C 26 5H CYT 26 17.459 -13.705 -0.609 242 H6 C 26 6H CYT 26 18.624 -11.563 -0.538 243 H3T C 26 H3T CYT 26 19.707 -7.188 1.779 244 2H2* C 26 H2' CYT 26 20.629 -9.953 2.100 245 1H GLU 438 H GLU 438 -16.667 -16.358 4.975 246 HA GLU 438 HA GLU 438 -18.578 -18.522 4.382 247 1HB GLU 438 2HB GLU 438 -16.606 -18.190 6.523 248 2HB GLU 438 1HB GLU 438 -18.208 -18.608 7.109 249 1HG GLU 438 2HG GLU 438 -17.884 -20.354 5.035 250 2HG GLU 438 1HG GLU 438 -16.249 -20.226 5.681 251 H ASP 439 H ASP 439 -20.669 -18.229 4.906 252 HA ASP 439 HA ASP 439 -22.592 -17.185 5.527 253 1HB ASP 439 2HB ASP 439 -20.765 -16.884 7.768 254 2HB ASP 439 1HB ASP 439 -21.921 -15.557 7.691 255 H SER 440 H SER 440 -23.265 -15.741 4.080 256 HA SER 440 HA SER 440 -22.170 -13.016 4.234 257 1HB SER 440 2HB SER 440 -22.530 -12.879 1.729 258 2HB SER 440 1HB SER 440 -21.207 -13.925 2.243 259 HG SER 440 HG SER 440 -22.399 -15.036 0.732 260 H THR 441 H THR 441 -23.624 -11.331 3.675 261 HA THR 441 HA THR 441 -26.434 -12.071 3.345 262 HB THR 441 HB THR 441 -26.772 -10.081 5.114 263 HG1 THR 441 1HG THR 441 -25.246 -10.111 6.677 264 1HG2 THR 441 1HG2 THR 441 -27.551 -11.611 6.596 265 2HG2 THR 441 2HG2 THR 441 -26.176 -12.692 6.378 266 3HG2 THR 441 3HG2 THR 441 -27.450 -12.628 5.161 267 H THR 442 H THR 442 -24.859 -9.003 4.193 268 HA THR 442 HA THR 442 -26.150 -7.726 1.934 269 HB THR 442 HB THR 442 -24.611 -5.780 3.088 270 HG1 THR 442 1HG THR 442 -24.125 -6.288 5.055 271 1HG2 THR 442 1HG2 THR 442 -26.689 -5.410 4.598 272 2HG2 THR 442 2HG2 THR 442 -27.388 -6.706 3.628 273 3HG2 THR 442 3HG2 THR 442 -26.822 -5.228 2.849 274 H ASN 443 H ASN 443 -22.993 -8.841 2.864 275 HA ASN 443 HA ASN 443 -21.017 -8.987 1.738 276 1HB ASN 443 2HB ASN 443 -23.067 -8.912 -0.356 277 2HB ASN 443 1HB ASN 443 -21.489 -8.340 -0.901 278 1HD2 ASN 443 1HD2 ASN 443 -22.120 -10.453 -2.191 279 2HD2 ASN 443 2HD2 ASN 443 -21.399 -11.895 -1.570 280 H ILE 444 H ILE 444 -19.626 -7.447 2.293 281 HA ILE 444 HA ILE 444 -19.759 -4.878 0.882 282 HB ILE 444 HB ILE 444 -18.954 -3.795 3.054 283 1HG1 ILE 444 2HG1 ILE 444 -20.392 -6.092 4.364 284 2HG1 ILE 444 1HG1 ILE 444 -18.649 -6.123 4.125 285 1HG2 ILE 444 1HG2 ILE 444 -21.206 -3.535 1.981 286 2HG2 ILE 444 2HG2 ILE 444 -21.177 -3.280 3.727 287 3HG2 ILE 444 3HG2 ILE 444 -21.793 -4.794 3.068 288 1HD1 ILE 444 1HD1 ILE 444 -19.509 -5.331 6.376 289 2HD1 ILE 444 2HD1 ILE 444 -20.012 -3.862 5.539 290 3HD1 ILE 444 3HD1 ILE 444 -18.309 -4.318 5.573 291 H THR 445 H THR 445 -18.039 -5.555 -0.420 292 HA THR 445 HA THR 445 -15.439 -5.165 0.753 293 HB THR 445 HB THR 445 -15.519 -7.473 1.230 294 HG1 THR 445 1HG THR 445 -13.634 -6.862 0.079 295 1HG2 THR 445 1HG2 THR 445 -17.414 -8.260 0.076 296 2HG2 THR 445 2HG2 THR 445 -16.037 -9.164 -0.556 297 3HG2 THR 445 3HG2 THR 445 -16.728 -7.838 -1.492 298 H LYS 446 H LYS 446 -15.551 -3.377 -0.704 299 HA LYS 446 HA LYS 446 -15.149 -4.128 -3.526 300 1HB LYS 446 2HB LYS 446 -16.837 -2.115 -2.295 301 2HB LYS 446 1HB LYS 446 -15.728 -1.393 -3.454 302 1HG LYS 446 2HG LYS 446 -17.048 -2.038 -5.107 303 2HG LYS 446 1HG LYS 446 -16.791 -3.723 -4.651 304 1HD LYS 446 2HD LYS 446 -18.793 -3.882 -3.614 305 2HD LYS 446 1HD LYS 446 -18.715 -2.234 -2.986 306 1HE LYS 446 2HE LYS 446 -19.990 -1.471 -4.644 307 2HE LYS 446 1HE LYS 446 -18.958 -2.224 -5.859 308 1HZ LYS 446 1HZ LYS 446 -20.311 -3.997 -6.037 309 2HZ LYS 446 2HZ LYS 446 -21.481 -2.930 -5.446 310 3HZ LYS 446 3HZ LYS 446 -20.718 -4.013 -4.396 311 H LYS 447 H LYS 447 -14.433 -1.306 -1.464 312 HA LYS 447 HA LYS 447 -11.592 -1.621 -1.984 313 1HB LYS 447 2HB LYS 447 -12.620 -0.237 -3.864 314 2HB LYS 447 1HB LYS 447 -12.917 1.003 -2.653 315 1HG LYS 447 2HG LYS 447 -10.874 1.442 -3.903 316 2HG LYS 447 1HG LYS 447 -10.535 1.156 -2.195 317 1HD LYS 447 2HD LYS 447 -9.311 -0.670 -2.630 318 2HD LYS 447 1HD LYS 447 -10.469 -1.274 -3.818 319 1HE LYS 447 2HE LYS 447 -8.540 0.973 -4.371 320 2HE LYS 447 1HE LYS 447 -8.179 -0.719 -4.710 321 1HZ LYS 447 1HZ LYS 447 -9.528 -0.738 -6.486 322 2HZ LYS 447 2HZ LYS 447 -9.324 0.940 -6.458 323 3HZ LYS 447 3HZ LYS 447 -10.702 0.244 -5.764 324 H GLN 448 H GLN 448 -10.366 -0.926 -0.331 325 HA GLN 448 HA GLN 448 -11.685 0.662 1.775 326 1HB GLN 448 2HB GLN 448 -10.314 -1.910 1.901 327 2HB GLN 448 1HB GLN 448 -9.650 -0.744 3.035 328 1HG GLN 448 2HG GLN 448 -12.505 -0.646 3.134 329 2HG GLN 448 1HG GLN 448 -11.964 -2.314 3.309 330 1HE2 GLN 448 1HE2 GLN 448 -12.128 0.803 4.744 331 2HE2 GLN 448 2HE2 GLN 448 -11.438 0.381 6.271 332 H LYS 449 H LYS 449 -10.835 2.622 0.986 333 HA LYS 449 HA LYS 449 -8.043 2.936 0.484 334 1HB LYS 449 2HB LYS 449 -10.018 4.328 -0.460 335 2HB LYS 449 1HB LYS 449 -9.895 5.233 1.042 336 1HG LYS 449 2HG LYS 449 -7.305 4.927 -0.174 337 2HG LYS 449 1HG LYS 449 -8.454 5.628 -1.311 338 1HD LYS 449 2HD LYS 449 -8.915 6.927 1.131 339 2HD LYS 449 1HD LYS 449 -7.162 6.835 0.961 340 1HE LYS 449 2HE LYS 449 -7.584 7.672 -1.447 341 2HE LYS 449 1HE LYS 449 -9.167 8.148 -0.835 342 1HZ LYS 449 1HZ LYS 449 -7.952 10.035 -0.474 343 2HZ LYS 449 2HZ LYS 449 -6.517 9.203 -0.147 344 3HZ LYS 449 3HZ LYS 449 -7.743 9.263 1.017 345 H TRP 450 H TRP 450 -6.476 3.958 1.740 346 HA TRP 450 HA TRP 450 -6.559 3.511 4.497 347 1HB TRP 450 2HB TRP 450 -4.743 5.108 2.714 348 2HB TRP 450 1HB TRP 450 -4.512 5.102 4.458 349 HD1 TRP 450 HD TRP 450 -5.556 1.925 2.581 350 HE1 TRP 450 1HE TRP 450 -3.640 0.215 2.751 351 HE3 TRP 450 3HE TRP 450 -2.022 4.886 4.784 352 HZ2 TRP 450 2HZ TRP 450 -0.978 0.134 3.697 353 HZ3 TRP 450 3HZ TRP 450 0.180 3.919 5.286 354 HH2 TRP 450 HH TRP 450 0.691 1.594 4.755 355 H THR 451 H THR 451 -6.049 5.262 6.141 356 HA THR 451 HA THR 451 -7.942 7.486 5.773 357 HB THR 451 HB THR 451 -7.484 7.368 8.474 358 HG1 THR 451 1HG THR 451 -6.962 5.428 9.044 359 1HG2 THR 451 1HG2 THR 451 -9.653 6.973 6.790 360 2HG2 THR 451 2HG2 THR 451 -9.679 7.125 8.546 361 3HG2 THR 451 3HG2 THR 451 -9.590 5.529 7.803 362 H VAL 452 H VAL 452 -7.350 9.374 7.357 363 HA VAL 452 HA VAL 452 -4.828 10.379 6.476 364 HB VAL 452 HB VAL 452 -5.354 12.381 7.770 365 1HG1 VAL 452 1HG1 VAL 452 -6.401 12.762 5.825 366 2HG1 VAL 452 2HG1 VAL 452 -7.875 12.507 6.755 367 3HG1 VAL 452 3HG1 VAL 452 -7.182 11.183 5.821 368 1HG2 VAL 452 1HG2 VAL 452 -6.695 10.732 9.478 369 2HG2 VAL 452 2HG2 VAL 452 -8.022 11.500 8.605 370 3HG2 VAL 452 3HG2 VAL 452 -6.835 12.489 9.454 371 H GLU 453 H GLU 453 -5.822 8.586 9.224 372 HA GLU 453 HA GLU 453 -3.776 9.521 11.005 373 1HB GLU 453 2HB GLU 453 -5.798 7.318 11.044 374 2HB GLU 453 1HB GLU 453 -4.458 7.263 12.180 375 1HG GLU 453 2HG GLU 453 -5.380 9.849 12.409 376 2HG GLU 453 1HG GLU 453 -6.852 8.902 12.197 377 H GLU 454 H GLU 454 -4.240 6.603 9.032 378 HA GLU 454 HA GLU 454 -1.829 5.347 9.764 379 1HB GLU 454 2HB GLU 454 -3.648 5.064 7.382 380 2HB GLU 454 1HB GLU 454 -2.183 4.104 7.546 381 1HG GLU 454 2HG GLU 454 -3.928 4.094 9.901 382 2HG GLU 454 1HG GLU 454 -4.628 3.373 8.453 383 H SER 455 H SER 455 -2.626 7.614 7.183 384 HA SER 455 HA SER 455 -0.137 7.404 5.829 385 1HB SER 455 2HB SER 455 -2.351 9.448 5.783 386 2HB SER 455 1HB SER 455 -0.876 9.657 4.837 387 HG SER 455 HG SER 455 -2.430 7.298 4.701 388 H GLU 456 H GLU 456 -1.176 9.158 8.627 389 HA GLU 456 HA GLU 456 0.934 11.107 8.544 390 1HB GLU 456 2HB GLU 456 -1.301 11.418 9.693 391 2HB GLU 456 1HB GLU 456 -0.723 10.325 10.944 392 1HG GLU 456 2HG GLU 456 1.295 12.218 10.662 393 2HG GLU 456 1HG GLU 456 -0.209 13.133 10.568 394 H TRP 457 H TRP 457 0.386 8.014 10.131 395 HA TRP 457 HA TRP 457 2.637 8.097 11.840 396 1HB TRP 457 2HB TRP 457 1.293 5.631 10.720 397 2HB TRP 457 1HB TRP 457 2.237 5.748 12.202 398 HD1 TRP 457 HD TRP 457 0.699 8.567 13.067 399 HE1 TRP 457 1HE TRP 457 -1.637 8.334 14.125 400 HE3 TRP 457 3HE TRP 457 -0.468 3.871 11.420 401 HZ2 TRP 457 2HZ TRP 457 -3.701 6.411 14.243 402 HZ3 TRP 457 3HZ TRP 457 -2.647 2.913 12.043 403 HH2 TRP 457 HH TRP 457 -4.226 4.155 13.427 404 H VAL 458 H VAL 458 2.168 7.012 8.533 405 HA VAL 458 HA VAL 458 4.761 5.803 8.310 406 HB VAL 458 HB VAL 458 2.823 6.620 6.138 407 1HG1 VAL 458 1HG1 VAL 458 4.883 6.406 5.059 408 2HG1 VAL 458 2HG1 VAL 458 4.141 4.818 4.866 409 3HG1 VAL 458 3HG1 VAL 458 5.389 5.067 6.087 410 1HG2 VAL 458 1HG2 VAL 458 1.709 4.997 7.384 411 2HG2 VAL 458 2HG2 VAL 458 3.191 4.102 7.719 412 3HG2 VAL 458 3HG2 VAL 458 2.488 4.068 6.103 413 H LYS 459 H LYS 459 3.382 8.952 7.616 414 HA LYS 459 HA LYS 459 5.505 9.942 6.034 415 1HB LYS 459 2HB LYS 459 3.188 10.954 6.271 416 2HB LYS 459 1HB LYS 459 3.727 11.612 7.814 417 1HG LYS 459 2HG LYS 459 5.716 12.394 6.093 418 2HG LYS 459 1HG LYS 459 4.261 12.515 5.100 419 1HD LYS 459 2HD LYS 459 3.397 14.208 6.337 420 2HD LYS 459 1HD LYS 459 4.075 13.594 7.846 421 1HE LYS 459 2HE LYS 459 5.462 15.357 7.637 422 2HE LYS 459 1HE LYS 459 6.333 14.280 6.544 423 1HZ LYS 459 1HZ LYS 459 5.901 16.535 5.637 424 2HZ LYS 459 2HZ LYS 459 4.245 16.191 5.656 425 3HZ LYS 459 3HZ LYS 459 5.285 15.285 4.676 426 H ALA 460 H ALA 460 4.892 10.006 9.514 427 HA ALA 460 HA ALA 460 7.291 11.522 10.053 428 1HB ALA 460 1HB ALA 460 6.676 11.382 12.362 429 2HB ALA 460 2HB ALA 460 5.519 10.093 12.029 430 3HB ALA 460 3HB ALA 460 5.219 11.724 11.427 431 H GLY 461 H GLY 461 6.308 8.173 10.011 432 1HA GLY 461 2HA GLY 461 8.377 7.067 11.554 433 2HA GLY 461 1HA GLY 461 7.485 6.224 10.299 434 H VAL 462 H VAL 462 8.197 7.670 8.059 435 HA VAL 462 HA VAL 462 10.853 6.661 7.607 436 HB VAL 462 HB VAL 462 9.161 8.312 5.726 437 1HG1 VAL 462 1HG1 VAL 462 11.207 6.267 4.950 438 2HG1 VAL 462 2HG1 VAL 462 11.686 7.921 5.337 439 3HG1 VAL 462 3HG1 VAL 462 10.562 7.614 4.012 440 1HG2 VAL 462 1HG2 VAL 462 8.924 5.522 6.601 441 2HG2 VAL 462 2HG2 VAL 462 8.938 5.745 4.853 442 3HG2 VAL 462 3HG2 VAL 462 7.736 6.578 5.837 443 H GLN 463 H GLU 463 9.378 9.772 8.178 444 HA GLN 463 HA GLU 463 11.582 11.352 7.309 445 1HB GLN 463 2HB GLU 463 9.246 12.200 7.537 446 2HB GLN 463 1HB GLU 463 9.420 12.103 9.283 447 1HG GLN 463 2HG GLU 463 10.074 14.224 9.157 448 2HG GLN 463 1HG GLU 463 11.604 13.575 8.571 449 H LYS 464 H LYS 464 10.962 9.532 10.159 450 HA LYS 464 HA LYS 464 13.133 10.927 11.570 451 1HB LYS 464 2HB LYS 464 10.731 9.416 12.511 452 2HB LYS 464 1HB LYS 464 12.156 9.478 13.537 453 1HG LYS 464 2HG LYS 464 11.854 12.099 12.857 454 2HG LYS 464 1HG LYS 464 10.180 11.544 12.931 455 1HD LYS 464 2HD LYS 464 10.927 10.463 15.182 456 2HD LYS 464 1HD LYS 464 12.249 11.629 15.089 457 1HE LYS 464 2HE LYS 464 9.657 12.823 14.527 458 2HE LYS 464 1HE LYS 464 9.732 12.089 16.129 459 1HZ LYS 464 1HZ LYS 464 11.748 13.379 16.561 460 2HZ LYS 464 2HZ LYS 464 10.428 14.382 16.220 461 3HZ LYS 464 3HZ LYS 464 11.613 14.116 15.042 462 H TYR 465 H TYR 465 11.849 7.661 10.953 463 HA TYR 465 HA TYR 465 14.376 6.474 11.753 464 1HB TYR 465 2HB TYR 465 11.798 5.236 10.772 465 2HB TYR 465 1HB TYR 465 13.214 4.317 11.269 466 HD1 TYR 465 1HD TYR 465 10.250 6.036 12.362 467 HD2 TYR 465 2HD TYR 465 14.000 4.504 13.661 468 HE1 TYR 465 1HE TYR 465 9.456 6.087 14.688 469 HE2 TYR 465 2HE TYR 465 13.217 4.550 15.992 470 HH TYR 465 HH TYR 465 10.380 4.535 16.981 471 H GLY 466 H GLY 466 12.420 6.813 8.813 472 1HA GLY 466 2HA GLY 466 13.735 7.297 6.765 473 2HA GLY 466 1HA GLY 466 14.803 5.997 7.269 474 H GLU 467 H GLU 467 14.094 5.570 4.871 475 HA GLU 467 HA GLU 467 11.553 4.164 4.702 476 1HB GLU 467 2HB GLU 467 12.884 5.678 2.893 477 2HB GLU 467 1HB GLU 467 13.431 4.076 2.418 478 1HG GLU 467 2HG GLU 467 10.837 3.558 2.583 479 2HG GLU 467 1HG GLU 467 10.735 5.289 2.265 480 H GLY 468 H GLY 468 11.349 1.968 4.139 481 1HA GLY 468 2HA GLY 468 12.139 -0.214 3.749 482 2HA GLY 468 1HA GLY 468 13.759 0.319 4.165 483 H ASN 469 H ASN 469 12.361 1.649 6.613 484 HA ASN 469 HA ASN 469 12.517 -0.768 8.271 485 1HB ASN 469 2HB ASN 469 13.412 1.981 8.611 486 2HB ASN 469 1HB ASN 469 12.461 1.430 9.986 487 1HD2 ASN 469 1HD2 ASN 469 13.352 0.073 11.416 488 2HD2 ASN 469 2HD2 ASN 469 14.938 -0.597 11.279 489 H TRP 470 H TRP 470 10.279 -1.193 7.419 490 HA TRP 470 HA TRP 470 8.166 0.437 8.554 491 1HB TRP 470 2HB TRP 470 7.762 -2.208 7.182 492 2HB TRP 470 1HB TRP 470 6.666 -0.835 7.266 493 HD1 TRP 470 HD TRP 470 8.871 -2.483 4.904 494 HE1 TRP 470 1HE TRP 470 9.490 -0.933 2.944 495 HE3 TRP 470 3HE TRP 470 7.368 1.979 6.895 496 HZ2 TRP 470 2HZ TRP 470 9.357 1.818 2.326 497 HZ3 TRP 470 3HZ TRP 470 7.648 4.022 5.555 498 HH2 TRP 470 HH TRP 470 8.624 3.942 3.318 499 H ALA 471 H ALA 471 9.735 -2.624 9.128 500 HA ALA 471 HA ALA 471 7.979 -3.941 10.768 501 1HB ALA 471 1HB ALA 471 10.051 -4.965 10.100 502 2HB ALA 471 2HB ALA 471 9.965 -4.952 11.862 503 3HB ALA 471 3HB ALA 471 10.981 -3.782 11.021 504 H ALA 472 H ALA 472 10.479 -1.647 11.883 505 HA ALA 472 HA ALA 472 9.673 -1.642 14.579 506 1HB ALA 472 1HB ALA 472 11.013 0.388 14.809 507 2HB ALA 472 2HB ALA 472 11.109 0.533 13.055 508 3HB ALA 472 3HB ALA 472 11.868 -0.837 13.870 509 H ILE 473 H ILE 473 8.784 0.469 11.873 510 HA ILE 473 HA ILE 473 7.296 2.360 13.270 511 HB ILE 473 HB ILE 473 6.771 1.311 10.485 512 1HG1 ILE 473 2HG1 ILE 473 8.358 3.739 11.333 513 2HG1 ILE 473 1HG1 ILE 473 9.088 2.187 10.942 514 1HG2 ILE 473 1HG2 ILE 473 5.699 3.488 10.097 515 2HG2 ILE 473 2HG2 ILE 473 5.926 3.891 11.799 516 3HG2 ILE 473 3HG2 ILE 473 4.869 2.555 11.342 517 1HD1 ILE 473 1HD1 ILE 473 8.989 4.026 9.143 518 2HD1 ILE 473 2HD1 ILE 473 7.298 3.552 8.980 519 3HD1 ILE 473 3HD1 ILE 473 8.576 2.370 8.696 520 H SER 474 H SER 474 6.178 -0.658 11.742 521 HA SER 474 HA SER 474 3.498 -0.367 12.675 522 1HB SER 474 2HB SER 474 4.167 -1.703 10.657 523 2HB SER 474 1HB SER 474 4.848 -2.909 11.749 524 HG SER 474 HG SER 474 2.912 -3.608 12.167 525 H LYS 475 H LYS 475 6.333 -1.199 14.268 526 HA LYS 475 HA LYS 475 4.978 -2.935 16.196 527 1HB LYS 475 2HB LYS 475 7.408 -3.224 15.118 528 2HB LYS 475 1HB LYS 475 7.851 -2.234 16.504 529 1HG LYS 475 2HG LYS 475 6.772 -3.876 17.988 530 2HG LYS 475 1HG LYS 475 6.422 -4.881 16.581 531 1HD LYS 475 2HD LYS 475 8.652 -5.408 16.240 532 2HD LYS 475 1HD LYS 475 9.225 -3.993 17.125 533 1HE LYS 475 2HE LYS 475 7.742 -5.499 18.966 534 2HE LYS 475 1HE LYS 475 8.719 -6.662 18.073 535 1HZ LYS 475 1HZ LYS 475 9.617 -5.331 20.177 536 2HZ LYS 475 2HZ LYS 475 10.077 -4.247 18.962 537 3HZ LYS 475 3HZ LYS 475 10.627 -5.847 18.920 538 H ASN 476 H ASN 476 5.761 0.333 15.785 539 HA ASN 476 HA ASN 476 5.538 0.782 18.690 540 1HB ASN 476 2HB ASN 476 7.703 1.444 17.223 541 2HB ASN 476 1HB ASN 476 6.754 2.916 17.038 542 1HD2 ASN 476 1HD2 ASN 476 8.119 0.705 19.411 543 2HD2 ASN 476 2HD2 ASN 476 8.286 1.874 20.673 544 H TYR 477 H TYR 477 4.037 1.250 15.703 545 HA TYR 477 HA TYR 477 2.574 3.603 16.679 546 1HB TYR 477 2HB TYR 477 3.169 2.533 13.953 547 2HB TYR 477 1HB TYR 477 1.707 3.486 14.187 548 HD1 TYR 477 1HD TYR 477 5.360 3.548 14.118 549 HD2 TYR 477 2HD TYR 477 1.847 5.859 14.760 550 HE1 TYR 477 1HE TYR 477 6.688 5.609 13.931 551 HE2 TYR 477 2HE TYR 477 3.163 7.925 14.573 552 HH TYR 477 HH TYR 477 5.441 8.684 14.789 553 HA PRO 478 HA PRO 478 -1.159 1.346 17.271 554 1HB PRO 478 2HB PRO 478 -3.068 3.064 16.441 555 2HB PRO 478 1HB PRO 478 -2.101 3.355 17.890 556 1HG PRO 478 2HG PRO 478 -1.760 4.469 15.136 557 2HG PRO 478 1HG PRO 478 -1.681 5.310 16.695 558 1HD PRO 478 2HD PRO 478 0.531 4.541 15.333 559 2HD PRO 478 1HD PRO 478 0.473 4.598 17.106 560 H PHE 479 H PHE 479 0.011 0.343 14.977 561 HA PHE 479 HA PHE 479 -1.884 0.441 12.798 562 1HB PHE 479 2HB PHE 479 0.707 -1.010 13.269 563 2HB PHE 479 1HB PHE 479 -0.328 -1.433 11.910 564 HD1 PHE 479 1HD PHE 479 -0.476 -0.046 9.992 565 HD2 PHE 479 2HD PHE 479 1.703 1.242 13.413 566 HE1 PHE 479 1HE PHE 479 0.498 1.789 8.675 567 HE2 PHE 479 2HE PHE 479 2.680 3.080 12.101 568 HZ PHE 479 HZ PHE 479 2.077 3.356 9.731 569 H VAL 480 H VAL 480 -3.116 -1.338 12.043 570 HA VAL 480 HA VAL 480 -3.571 -3.442 14.056 571 HB VAL 480 HB VAL 480 -5.697 -2.270 12.262 572 1HG1 VAL 480 1HG1 VAL 480 -6.396 -3.690 14.743 573 2HG1 VAL 480 2HG1 VAL 480 -5.678 -4.685 13.474 574 3HG1 VAL 480 3HG1 VAL 480 -7.139 -3.757 13.145 575 1HG2 VAL 480 1HG2 VAL 480 -5.526 -0.491 13.639 576 2HG2 VAL 480 2HG2 VAL 480 -4.674 -1.401 14.885 577 3HG2 VAL 480 3HG2 VAL 480 -6.427 -1.522 14.751 578 H ASN 481 H ASN 481 -4.641 -2.822 10.708 579 HA ASN 481 HA ASN 481 -3.652 -5.509 10.010 580 1HB ASN 481 2HB ASN 481 -6.231 -4.163 9.464 581 2HB ASN 481 1HB ASN 481 -5.539 -5.065 8.120 582 1HD2 ASN 481 1HD2 ASN 481 -6.024 -7.130 8.016 583 2HD2 ASN 481 2HD2 ASN 481 -6.569 -8.116 9.326 584 H ARG 482 H ARG 482 -1.767 -3.744 9.763 585 HA ARG 482 HA ARG 482 -1.622 -3.222 6.880 586 1HB ARG 482 2HB ARG 482 -1.854 -1.214 8.837 587 2HB ARG 482 1HB ARG 482 -0.167 -1.203 8.343 588 1HG ARG 482 2HG ARG 482 -1.385 0.348 6.991 589 2HG ARG 482 1HG ARG 482 -0.903 -1.020 5.987 590 1HD ARG 482 2HD ARG 482 -3.156 -0.511 5.430 591 2HD ARG 482 1HD ARG 482 -3.184 -1.990 6.390 592 HE ARG 482 HE ARG 482 -3.527 0.225 8.085 593 1HH1 ARG 482 1HH1 ARG 482 -5.229 -1.559 5.617 594 2HH1 ARG 482 2HH1 ARG 482 -6.797 -1.163 6.236 595 1HH2 ARG 482 1HH2 ARG 482 -5.588 0.749 8.901 596 2HH2 ARG 482 2HH2 ARG 482 -7.002 0.148 8.099 597 H THR 483 H THR 483 -0.269 -4.973 6.574 598 HA THR 483 HA THR 483 2.047 -5.437 8.179 599 HB THR 483 HB THR 483 2.576 -6.858 5.955 600 HG1 THR 483 1HG THR 483 0.555 -7.524 5.090 601 1HG2 THR 483 1HG2 THR 483 0.957 -8.627 6.897 602 2HG2 THR 483 2HG2 THR 483 0.705 -7.466 8.200 603 3HG2 THR 483 3HG2 THR 483 2.320 -8.099 7.883 604 H ALA 484 H ALA 484 4.239 -5.679 7.010 605 HA ALA 484 HA ALA 484 5.111 -3.102 6.261 606 1HB ALA 484 1HB ALA 484 6.588 -4.727 7.343 607 2HB ALA 484 2HB ALA 484 7.276 -4.136 5.831 608 3HB ALA 484 3HB ALA 484 6.540 -5.737 5.897 609 H VAL 485 H VAL 485 3.891 -5.766 4.419 610 HA VAL 485 HA VAL 485 5.000 -5.013 1.904 611 HB VAL 485 HB VAL 485 2.527 -6.669 2.430 612 1HG1 VAL 485 1HG1 VAL 485 4.312 -6.413 0.014 613 2HG1 VAL 485 2HG1 VAL 485 2.614 -5.952 0.140 614 3HG1 VAL 485 3HG1 VAL 485 3.074 -7.654 0.212 615 1HG2 VAL 485 1HG2 VAL 485 3.960 -8.087 3.408 616 2HG2 VAL 485 2HG2 VAL 485 5.373 -7.239 2.778 617 3HG2 VAL 485 3HG2 VAL 485 4.529 -8.415 1.770 618 H MET 486 H MET 486 2.004 -4.277 3.604 619 HA MET 486 HA MET 486 0.763 -2.951 1.401 620 1HB MET 486 2HB MET 486 0.205 -2.955 4.366 621 2HB MET 486 1HB MET 486 -0.763 -2.044 3.216 622 1HG MET 486 2HG MET 486 -0.338 -4.928 2.683 623 2HG MET 486 1HG MET 486 -1.418 -4.480 4.002 624 1HE MET 486 1HE MET 486 -4.433 -4.902 1.881 625 2HE MET 486 2HE MET 486 -3.987 -4.335 3.490 626 3HE MET 486 3HE MET 486 -3.258 -5.801 2.839 627 H ILE 487 H ILE 487 2.597 -1.883 4.231 628 HA ILE 487 HA ILE 487 2.296 0.887 3.823 629 HB ILE 487 HB ILE 487 4.566 -0.585 5.172 630 1HG1 ILE 487 2HG1 ILE 487 2.410 0.800 6.687 631 2HG1 ILE 487 1HG1 ILE 487 2.004 -0.735 5.924 632 1HG2 ILE 487 1HG2 ILE 487 4.419 1.781 6.446 633 2HG2 ILE 487 2HG2 ILE 487 3.949 2.277 4.820 634 3HG2 ILE 487 3HG2 ILE 487 5.494 1.470 5.084 635 1HD1 ILE 487 1HD1 ILE 487 4.351 -0.378 7.765 636 2HD1 ILE 487 2HD1 ILE 487 3.649 -1.886 7.179 637 3HD1 ILE 487 3HD1 ILE 487 2.748 -0.873 8.307 638 H LYS 488 H LYS 488 4.489 -1.474 2.468 639 HA LYS 488 HA LYS 488 6.302 0.444 1.358 640 1HB LYS 488 2HB LYS 488 6.359 -2.284 1.798 641 2HB LYS 488 1HB LYS 488 6.252 -2.166 0.047 642 1HG LYS 488 2HG LYS 488 8.222 -0.415 1.383 643 2HG LYS 488 1HG LYS 488 8.563 -2.146 1.368 644 1HD LYS 488 2HD LYS 488 9.335 -1.915 -0.706 645 2HD LYS 488 1HD LYS 488 7.698 -1.515 -1.224 646 1HE LYS 488 2HE LYS 488 8.466 0.489 -1.807 647 2HE LYS 488 1HE LYS 488 8.679 0.832 -0.090 648 1HZ LYS 488 1HZ LYS 488 10.728 1.242 -1.199 649 2HZ LYS 488 2HZ LYS 488 10.705 -0.268 -1.959 650 3HZ LYS 488 3HZ LYS 488 10.926 -0.167 -0.285 651 H ASP 489 H ASP 489 3.354 -1.086 0.319 652 HA ASP 489 HA ASP 489 3.670 -0.485 -2.461 653 1HB ASP 489 2HB ASP 489 1.628 -1.718 -0.745 654 2HB ASP 489 1HB ASP 489 0.973 -0.823 -2.113 655 H ARG 490 H ARG 490 2.374 1.179 0.313 656 HA ARG 490 HA ARG 490 0.881 3.123 -1.146 657 1HB ARG 490 2HB ARG 490 0.929 2.378 1.449 658 2HB ARG 490 1HB ARG 490 1.914 3.833 1.537 659 1HG ARG 490 2HG ARG 490 -0.367 4.424 -0.039 660 2HG ARG 490 1HG ARG 490 -0.910 3.599 1.423 661 1HD ARG 490 2HD ARG 490 0.741 5.249 2.605 662 2HD ARG 490 1HD ARG 490 0.544 6.191 1.127 663 HE ARG 490 HE ARG 490 -1.338 5.926 3.240 664 1HH1 ARG 490 1HH1 ARG 490 -1.087 6.278 -0.223 665 2HH1 ARG 490 2HH1 ARG 490 -2.643 7.021 -0.385 666 1HH2 ARG 490 1HH2 ARG 490 -3.388 6.902 3.026 667 2HH2 ARG 490 2HH2 ARG 490 -3.947 7.376 1.459 668 H TRP 491 H TRP 491 3.993 3.306 0.588 669 HA TRP 491 HA TRP 491 4.645 5.913 -0.144 670 1HB TRP 491 2HB TRP 491 5.788 4.253 1.527 671 2HB TRP 491 1HB TRP 491 6.779 3.827 0.136 672 HD1 TRP 491 HD TRP 491 8.901 5.228 -0.131 673 HE1 TRP 491 1HE TRP 491 9.720 7.519 0.714 674 HE3 TRP 491 3HE TRP 491 4.651 6.783 2.251 675 HZ2 TRP 491 2HZ TRP 491 8.700 9.696 2.192 676 HZ3 TRP 491 3HZ TRP 491 4.657 8.981 3.357 677 HH2 TRP 491 HH TRP 491 6.638 10.406 3.326 678 H ARG 492 H ARG 492 5.176 2.870 -1.844 679 HA ARG 492 HA ARG 492 6.852 3.909 -3.871 680 1HB ARG 492 2HB ARG 492 5.842 1.398 -3.157 681 2HB ARG 492 1HB ARG 492 5.226 1.689 -4.777 682 1HG ARG 492 2HG ARG 492 8.064 2.328 -4.421 683 2HG ARG 492 1HG ARG 492 7.652 0.626 -4.209 684 1HD ARG 492 2HD ARG 492 6.424 1.955 -6.533 685 2HD ARG 492 1HD ARG 492 8.177 1.777 -6.597 686 HE ARG 492 HE ARG 492 7.343 -0.691 -5.884 687 1HH1 ARG 492 1HH1 ARG 492 6.431 1.469 -8.469 688 2HH1 ARG 492 2HH1 ARG 492 6.017 0.190 -9.560 689 1HH2 ARG 492 1HH2 ARG 492 6.801 -2.376 -7.320 690 2HH2 ARG 492 2HH2 ARG 492 6.228 -1.992 -8.908 691 H THR 493 H THR 493 3.353 3.305 -3.753 692 HA THR 493 HA THR 493 2.740 4.094 -6.359 693 HB THR 493 HB THR 493 1.031 4.364 -3.877 694 HG1 THR 493 1HG THR 493 0.559 2.308 -4.125 695 1HG2 THR 493 1HG2 THR 493 0.255 5.545 -6.012 696 2HG2 THR 493 2HG2 THR 493 -0.864 4.445 -5.207 697 3HG2 THR 493 3HG2 THR 493 0.006 3.920 -6.648 698 H MET 494 H MET 494 3.413 5.981 -3.510 699 HA MET 494 HA MET 494 2.373 8.440 -4.581 700 1HB MET 494 2HB MET 494 2.791 7.667 -2.076 701 2HB MET 494 1HB MET 494 4.357 8.418 -2.356 702 1HG MET 494 2HG MET 494 3.212 10.502 -2.997 703 2HG MET 494 1HG MET 494 1.667 9.740 -2.626 704 1HE MET 494 1HE MET 494 1.342 9.811 1.098 705 2HE MET 494 2HE MET 494 1.454 8.462 -0.034 706 3HE MET 494 3HE MET 494 0.544 9.907 -0.473 707 H LYS 495 H LYS 495 5.609 7.071 -4.058 708 HA LYS 495 HA LYS 495 6.955 9.305 -5.232 709 1HB LYS 495 2HB LYS 495 7.814 7.481 -3.544 710 2HB LYS 495 1HB LYS 495 8.220 6.603 -5.011 711 1HG LYS 495 2HG LYS 495 9.587 8.493 -5.759 712 2HG LYS 495 1HG LYS 495 9.196 9.351 -4.266 713 1HD LYS 495 2HD LYS 495 10.632 8.123 -3.035 714 2HD LYS 495 1HD LYS 495 10.258 6.633 -3.903 715 1HE LYS 495 2HE LYS 495 11.997 6.876 -5.288 716 2HE LYS 495 1HE LYS 495 11.670 8.591 -5.538 717 1HZ LYS 495 1HZ LYS 495 13.831 8.101 -4.451 718 2HZ LYS 495 2HZ LYS 495 12.988 7.503 -3.112 719 3HZ LYS 495 3HZ LYS 495 12.833 9.131 -3.552 720 H ARG 496 H ARG 496 5.457 6.461 -6.471 721 HA ARG 496 HA ARG 496 6.961 6.306 -8.900 722 1HB ARG 496 2HB ARG 496 5.619 4.424 -7.825 723 2HB ARG 496 1HB ARG 496 4.183 5.216 -8.465 724 1HG ARG 496 2HG ARG 496 4.756 3.519 -9.997 725 2HG ARG 496 1HG ARG 496 5.244 5.043 -10.742 726 1HD ARG 496 2HD ARG 496 7.534 4.664 -10.196 727 2HD ARG 496 1HD ARG 496 7.122 3.281 -9.183 728 HE ARG 496 HE ARG 496 6.188 2.587 -11.637 729 1HH1 ARG 496 1HH1 ARG 496 9.286 3.659 -10.440 730 2HH1 ARG 496 2HH1 ARG 496 10.190 2.780 -11.628 731 1HH2 ARG 496 1HH2 ARG 496 7.374 1.431 -13.201 732 2HH2 ARG 496 2HH2 ARG 496 9.104 1.515 -13.198 733 H LEU 497 H LEU 497 3.700 7.500 -8.107 734 HA LEU 497 HA LEU 497 3.884 9.273 -10.443 735 1HB LEU 497 2HB LEU 497 1.805 7.262 -9.806 736 2HB LEU 497 1HB LEU 497 1.234 8.812 -10.393 737 HG LEU 497 HG LEU 497 3.407 7.597 -11.974 738 1HD1 LEU 497 1HD1 LEU 497 1.360 6.295 -13.117 739 2HD1 LEU 497 2HD1 LEU 497 0.877 6.184 -11.424 740 3HD1 LEU 497 3HD1 LEU 497 2.443 5.557 -11.937 741 1HD2 LEU 497 1HD2 LEU 497 0.774 8.537 -13.013 742 2HD2 LEU 497 2HD2 LEU 497 2.382 8.672 -13.728 743 3HD2 LEU 497 3HD2 LEU 497 1.924 9.715 -12.381 744 H GLY 498 H GLY 498 4.435 10.956 -8.985 745 1HA GLY 498 2HA GLY 498 2.477 12.685 -8.228 746 2HA GLY 498 1HA GLY 498 2.661 11.646 -6.823 747 H MET 499 H MET 499 5.029 11.360 -6.126 748 HA MET 499 HA MET 499 6.093 13.997 -5.687 749 1HB MET 499 2HB MET 499 7.002 11.267 -4.772 750 2HB MET 499 1HB MET 499 7.792 12.767 -4.306 751 1HG MET 499 2HG MET 499 4.995 12.995 -3.798 752 2HG MET 499 1HG MET 499 5.591 11.494 -3.093 753 1HE MET 499 1HE MET 499 5.720 11.411 -1.070 754 2HE MET 499 2HE MET 499 5.649 12.773 0.047 755 3HE MET 499 3HE MET 499 7.187 11.968 -0.265 756 H ASN 500 H ASN 500 6.409 11.910 -8.211 757 HA ASN 500 HA ASN 500 9.176 12.760 -8.754 758 1HB ASN 500 2HB ASN 500 7.916 10.178 -8.935 759 2HB ASN 500 1HB ASN 500 8.489 10.671 -10.525 760 1HD2 ASN 500 1HD2 ASN 500 10.629 10.684 -10.945 761 2HD2 ASN 500 2HD2 ASN 500 11.842 10.191 -9.817 Start of MODEL 2 1 2H5* G 1 H5' GUA 1 8.284 -15.237 10.618 2 H4* G 1 H4' GUA 1 10.169 -13.520 11.169 3 H3* G 1 H3' GUA 1 7.742 -13.109 10.136 4 H1* G 1 H1' GUA 1 10.855 -12.006 8.024 5 H8 G 1 8H GUA 1 8.879 -14.957 6.601 6 H1 G 1 1H GUA 1 14.433 -13.700 3.651 7 1H2 G 1 1H2 GUA 1 14.941 -11.433 6.214 8 2H2 G 1 2H2 GUA 1 15.552 -12.166 4.746 9 2H2* G 1 H2' GUA 1 8.501 -11.767 7.907 10 H5T G 1 H5T GUA 1 10.201 -16.395 8.987 11 2H5* T 2 H5' THY 2 10.761 -9.092 10.331 12 H4* T 2 H4' THY 2 12.187 -8.032 8.926 13 H3* T 2 H3' THY 2 9.719 -6.972 8.739 14 2H2* T 2 H2' THY 2 9.650 -6.730 6.046 15 H1* T 2 H1' THY 2 11.711 -7.829 5.527 16 H3 T 2 3H THY 2 11.092 -10.773 2.242 17 1H5M T 2 1H7 THY 2 8.168 -13.237 5.073 18 2H5M T 2 2H7 THY 2 7.015 -12.027 4.466 19 3H5M T 2 3H7 THY 2 7.565 -11.964 6.159 20 H6 T 2 6H THY 2 9.009 -10.180 6.493 21 2H5* T 3 H5' THY 3 13.362 -4.559 6.057 22 H4* T 3 H4' THY 3 14.207 -4.717 3.943 23 H3* T 3 H3' THY 3 12.164 -2.962 4.097 24 2H2* T 3 H2' THY 3 10.961 -3.657 1.775 25 H1* T 3 H1' THY 3 12.324 -5.542 1.215 26 H3 T 3 3H THY 3 9.835 -9.070 0.103 27 1H5M T 3 1H7 THY 3 8.251 -8.257 4.945 28 2H5M T 3 2H7 THY 3 7.049 -8.629 3.688 29 3H5M T 3 3H7 THY 3 7.317 -6.943 4.188 30 H6 T 3 6H THY 3 9.827 -6.155 3.880 31 2H5* A 4 H5' ADE 4 14.610 -2.613 -0.599 32 H4* A 4 H4' ADE 4 14.367 -3.804 -2.554 33 H3* A 4 H3' ADE 4 12.752 -1.637 -2.370 34 H1* A 4 H1' ADE 4 11.414 -5.030 -3.646 35 H8 A 4 8H ADE 4 10.167 -4.222 -0.056 36 1H6 A 4 1H6 ADE 4 6.970 -7.868 0.289 37 2H6 A 4 2H6 ADE 4 6.529 -9.180 -0.780 38 H2 A 4 2H ADE 4 9.062 -8.763 -4.457 39 2H2* A 4 H2' ADE 4 10.572 -2.790 -3.488 40 2H5* G 5 H5' GUA 5 13.176 -3.615 -7.072 41 H4* G 5 H4' GUA 5 12.065 -5.134 -8.331 42 H3* G 5 H3' GUA 5 10.974 -2.691 -8.644 43 H1* G 5 H1' GUA 5 8.694 -5.768 -8.019 44 H8 G 5 8H GUA 5 9.123 -3.533 -4.878 45 H1 G 5 1H GUA 5 4.729 -8.187 -4.467 46 1H2 G 5 1H2 GUA 5 5.762 -9.032 -7.662 47 2H2 G 5 2H2 GUA 5 4.702 -9.376 -6.314 48 2H2* G 5 H2' GUA 5 8.383 -3.464 -8.575 49 2H5* G 6 H5' GUA 6 9.044 -6.263 -11.659 50 H4* G 6 H4' GUA 6 7.221 -7.615 -11.700 51 H3* G 6 H3' GUA 6 6.684 -5.216 -12.832 52 H1* G 6 H1' GUA 6 4.211 -6.858 -10.370 53 H8 G 6 8H GUA 6 6.042 -3.821 -8.809 54 H1 G 6 1H GUA 6 1.423 -6.478 -5.241 55 1H2 G 6 1H2 GUA 6 1.172 -8.779 -7.813 56 2H2 G 6 2H2 GUA 6 0.597 -8.241 -6.250 57 2H2* G 6 H2' GUA 6 4.199 -4.931 -11.801 58 2H5* G 7 H5' GUA 7 3.252 -8.876 -13.944 59 H4* G 7 H4' GUA 7 1.300 -9.616 -13.042 60 H3* G 7 H3' GUA 7 0.850 -7.698 -14.861 61 H1* G 7 H1' GUA 7 -0.891 -7.450 -11.382 62 H8 G 7 8H GUA 7 2.215 -5.154 -11.738 63 H1 G 7 1H GUA 7 -1.434 -4.208 -6.548 64 1H2 G 7 1H2 GUA 7 -3.316 -6.846 -7.759 65 2H2 G 7 2H2 GUA 7 -3.093 -5.644 -6.507 66 2H2* G 7 H2' GUA 7 -0.994 -6.295 -13.461 67 2H5* T 8 H5' THY 8 -3.253 -9.806 -12.912 68 H4* T 8 H4' THY 8 -4.836 -9.412 -11.332 69 H3* T 8 H3' THY 8 -5.546 -8.345 -13.701 70 2H2* T 8 H2' THY 8 -6.512 -6.005 -12.742 71 H1* T 8 H1' THY 8 -5.886 -6.258 -10.450 72 H3 T 8 3H THY 8 -3.986 -2.474 -9.081 73 1H5M T 8 1H7 THY 8 -0.347 -4.145 -12.232 74 2H5M T 8 2H7 THY 8 -1.451 -3.721 -13.561 75 3H5M T 8 3H7 THY 8 -0.880 -2.461 -12.443 76 H6 T 8 6H THY 8 -2.909 -5.562 -12.554 77 2H5* T 9 H5' THY 9 -9.301 -8.645 -10.234 78 H4* T 9 H4' THY 9 -10.155 -7.269 -8.670 79 H3* T 9 H3' THY 9 -11.375 -6.780 -11.029 80 2H2* T 9 H2' THY 9 -11.407 -4.083 -10.825 81 H1* T 9 H1' THY 9 -10.107 -3.863 -8.825 82 H3 T 9 3H THY 9 -6.987 -0.733 -9.393 83 1H5M T 9 1H7 THY 9 -5.061 -3.676 -12.759 84 2H5M T 9 2H7 THY 9 -6.586 -4.175 -13.530 85 3H5M T 9 3H7 THY 9 -6.036 -2.489 -13.661 86 H6 T 9 6H THY 9 -8.071 -4.701 -11.810 87 2H5* A 10 H5' ADE 10 -14.018 -4.232 -7.184 88 H4* A 10 H4' ADE 10 -13.632 -2.114 -6.305 89 H3* A 10 H3' ADE 10 -15.435 -2.259 -8.321 90 H1* A 10 H1' ADE 10 -12.754 0.521 -8.225 91 H8 A 10 8H ADE 10 -12.067 -2.102 -11.001 92 1H6 A 10 1H6 ADE 10 -8.302 0.182 -13.060 93 2H6 A 10 2H6 ADE 10 -7.432 1.650 -12.671 94 H2 A 10 2H ADE 10 -9.345 3.354 -8.990 95 2H2* A 10 H2' ADE 10 -14.683 0.029 -9.560 96 2H5* G 11 H5' GUA 11 -15.918 2.347 -5.685 97 H4* G 11 H4' GUA 11 -14.600 4.245 -5.850 98 H3* G 11 H3' GUA 11 -16.861 4.270 -7.343 99 H1* G 11 H1' GUA 11 -13.489 5.467 -8.792 100 H8 G 11 8H GUA 11 -14.453 1.940 -10.095 101 H1 G 11 1H GUA 11 -9.579 4.841 -13.089 102 1H2 G 11 1H2 GUA 11 -10.098 7.399 -10.818 103 2H2 G 11 2H2 GUA 11 -9.172 6.794 -12.172 104 2H2* G 11 H2' GUA 11 -15.777 5.466 -9.516 105 2H5* G 12 H5' GUA 12 -14.949 9.096 -6.543 106 H4* G 12 H4' GUA 12 -13.216 10.202 -7.613 107 H3* G 12 H3' GUA 12 -15.691 10.880 -8.434 108 H1* G 12 H1' GUA 12 -12.907 10.160 -11.033 109 H8 G 12 8H GUA 12 -15.271 7.118 -10.555 110 H1 G 12 1H GUA 12 -11.518 7.013 -15.756 111 1H2 G 12 1H2 GUA 12 -10.343 10.056 -14.604 112 2H2 G 12 2H2 GUA 12 -10.266 8.812 -15.831 113 2H2* G 12 H2' GUA 12 -15.155 10.979 -11.084 114 2H5* G 13 H5' GUA 13 -12.150 14.243 -10.356 115 H4* G 13 H4' GUA 13 -10.796 14.308 -12.278 116 H3* G 13 H3' GUA 13 -13.102 15.680 -12.338 117 H1* G 13 H1' GUA 13 -12.176 13.371 -15.324 118 H8 G 13 8H GUA 13 -14.693 11.717 -12.874 119 H1 G 13 1H GUA 13 -13.983 8.865 -18.574 120 1H2 G 13 1H2 GUA 13 -11.688 11.375 -19.209 121 2H2 G 13 2H2 GUA 13 -12.509 9.943 -19.792 122 H3T G 13 H3T GUA 13 -11.168 15.335 -14.383 123 2H2* G 13 H2' GUA 13 -13.883 14.967 -14.828 124 2H5* C 14 H5' CYT 14 -12.066 4.734 -26.295 125 H4* C 14 H4' CYT 14 -10.981 6.952 -25.731 126 H3* C 14 H3' CYT 14 -10.254 4.510 -24.869 127 H1* C 14 H1' CYT 14 -10.835 7.367 -22.311 128 1H4 C 14 1H4 CYT 14 -16.339 5.675 -19.029 129 2H4 C 14 2H4 CYT 14 -15.716 7.138 -18.298 130 H5 C 14 5H CYT 14 -15.302 4.619 -20.945 131 H6 C 14 6H CYT 14 -13.462 4.751 -22.543 132 2H2* C 14 H2' CYT 14 -10.007 5.125 -22.246 133 H5T C 14 H5T CYT 14 -12.930 4.426 -24.148 134 2H5* C 15 H5' CYT 15 -6.629 8.040 -23.444 135 H4* C 15 H4' CYT 15 -6.384 9.385 -21.591 136 H3* C 15 H3' CYT 15 -5.167 6.997 -21.369 137 H1* C 15 H1' CYT 15 -7.363 8.313 -18.444 138 1H4 C 15 1H4 CYT 15 -12.734 4.429 -18.448 139 2H4 C 15 2H4 CYT 15 -12.752 5.357 -16.967 140 H5 C 15 5H CYT 15 -10.997 4.648 -20.120 141 H6 C 15 6H CYT 15 -8.930 5.805 -20.708 142 2H2* C 15 H2' CYT 15 -5.885 6.476 -18.812 143 2H5* C 16 H5' CYT 16 -4.078 10.364 -17.802 144 H4* C 16 H4' CYT 16 -4.742 10.842 -15.698 145 H3* C 16 H3' CYT 16 -2.685 9.122 -15.612 146 H1* C 16 H1' CYT 16 -5.869 8.372 -13.488 147 1H4 C 16 1H4 CYT 16 -8.760 3.266 -16.576 148 2H4 C 16 2H4 CYT 16 -9.486 3.410 -14.992 149 H5 C 16 5H CYT 16 -7.014 4.749 -17.364 150 H6 C 16 6H CYT 16 -5.618 6.666 -16.792 151 2H2* C 16 H2' CYT 16 -3.682 7.464 -13.715 152 2H5* T 17 H5' THY 17 -4.034 11.153 -11.088 153 H4* T 17 H4' THY 17 -5.511 10.479 -9.507 154 H3* T 17 H3' THY 17 -3.041 9.513 -8.976 155 2H2* T 17 H2' THY 17 -3.836 7.055 -8.167 156 H1* T 17 H1' THY 17 -6.164 7.249 -8.707 157 H3 T 17 3H THY 17 -7.472 3.575 -10.858 158 1H5M T 17 1H7 THY 17 -4.401 5.364 -14.406 159 2H5M T 17 2H7 THY 17 -3.012 5.204 -13.305 160 3H5M T 17 3H7 THY 17 -3.929 3.760 -13.798 161 H6 T 17 6H THY 17 -4.040 6.776 -11.711 162 2H5* A 18 H5' ADE 18 -6.092 8.694 -5.003 163 H4* A 18 H4' ADE 18 -6.875 7.095 -3.645 164 H3* A 18 H3' ADE 18 -4.224 7.100 -3.377 165 H1* A 18 H1' ADE 18 -5.934 3.637 -4.266 166 H8 A 18 8H ADE 18 -3.830 5.321 -7.000 167 1H6 A 18 1H6 ADE 18 -4.707 2.132 -10.559 168 2H6 A 18 2H6 ADE 18 -5.766 0.745 -10.693 169 H2 A 18 2H ADE 18 -7.942 0.397 -6.785 170 2H2* A 18 H2' ADE 18 -3.830 4.408 -3.575 171 2H5* A 19 H5' ADE 19 -6.845 3.707 -0.898 172 H4* A 19 H4' ADE 19 -7.508 1.566 -1.157 173 H3* A 19 H3' ADE 19 -5.135 1.608 0.103 174 H1* A 19 H1' ADE 19 -5.649 -0.785 -2.921 175 H8 A 19 8H ADE 19 -3.396 2.264 -3.717 176 1H6 A 19 1H6 ADE 19 -2.202 0.964 -8.247 177 2H6 A 19 2H6 ADE 19 -2.682 -0.365 -9.276 178 H2 A 19 2H ADE 19 -5.593 -2.841 -6.931 179 2H2* A 19 H2' ADE 19 -3.965 -0.404 -1.275 180 2H5* C 20 H5' CYT 20 -7.423 -3.031 0.275 181 H4* C 20 H4' CYT 20 -7.411 -4.864 -1.087 182 H3* C 20 H3' CYT 20 -5.543 -5.022 0.839 183 H1* C 20 H1' CYT 20 -4.580 -5.835 -2.839 184 1H4 C 20 1H4 CYT 20 -0.714 -0.801 -4.758 185 2H4 C 20 2H4 CYT 20 -0.629 -2.038 -5.992 186 H5 C 20 5H CYT 20 -2.081 -1.019 -2.769 187 H6 C 20 6H CYT 20 -3.633 -2.465 -1.565 188 2H2* C 20 H2' CYT 20 -3.530 -5.975 -0.699 189 2H5* C 21 H5' CYT 21 -6.488 -9.637 -1.483 190 H4* C 21 H4' CYT 21 -5.580 -10.450 -3.409 191 H3* C 21 H3' CYT 21 -4.225 -11.285 -1.234 192 H1* C 21 H1' CYT 21 -2.305 -9.907 -4.312 193 1H4 C 21 1H4 CYT 21 0.240 -4.109 -2.350 194 2H4 C 21 2H4 CYT 21 0.907 -4.478 -3.924 195 H5 C 21 5H CYT 21 -1.362 -5.543 -1.233 196 H6 C 21 6H CYT 21 -2.641 -7.615 -1.401 197 2H2* C 21 H2' CYT 21 -1.734 -10.966 -2.243 198 2H5* C 22 H5' CYT 22 -2.566 -13.603 -5.440 199 H4* C 22 H4' CYT 22 -0.761 -13.709 -6.802 200 H3* C 22 H3' CYT 22 -0.284 -15.055 -4.531 201 H1* C 22 H1' CYT 22 2.377 -12.542 -5.848 202 1H4 C 22 1H4 CYT 22 2.178 -7.471 -1.582 203 2H4 C 22 2H4 CYT 22 3.520 -7.199 -2.667 204 H5 C 22 5H CYT 22 0.705 -9.387 -1.765 205 H6 C 22 6H CYT 22 0.227 -11.420 -3.026 206 2H2* C 22 H2' CYT 22 2.231 -14.160 -4.101 207 2H5* T 23 H5' THY 23 3.283 -15.390 -8.036 208 H4* T 23 H4' THY 23 5.289 -14.478 -8.532 209 H3* T 23 H3' THY 23 5.630 -16.566 -6.865 210 2H2* T 23 H2' THY 23 7.490 -15.425 -5.265 211 H1* T 23 H1' THY 23 7.459 -13.216 -6.185 212 H3 T 23 3H THY 23 7.230 -10.256 -2.869 213 1H5M T 23 1H7 THY 23 3.002 -13.584 -2.357 214 2H5M T 23 2H7 THY 23 2.824 -11.868 -1.913 215 3H5M T 23 3H7 THY 23 3.809 -12.953 -0.900 216 H6 T 23 6H THY 23 4.438 -13.905 -4.146 217 2H5* A 24 H5' ADE 24 9.942 -14.771 -8.922 218 H4* A 24 H4' ADE 24 11.584 -13.345 -8.343 219 H3* A 24 H3' ADE 24 12.132 -15.758 -7.300 220 H1* A 24 H1' ADE 24 12.379 -12.605 -5.040 221 H8 A 24 8H ADE 24 9.235 -14.764 -4.327 222 1H6 A 24 1H6 ADE 24 7.697 -12.302 -0.427 223 2H6 A 24 2H6 ADE 24 8.266 -10.860 0.382 224 H2 A 24 2H ADE 24 11.874 -9.449 -1.878 225 2H2* A 24 H2' ADE 24 12.902 -14.925 -4.845 226 2H5* A 25 H5' ADE 25 16.227 -12.528 -7.004 227 H4* A 25 H4' ADE 25 16.836 -10.961 -5.449 228 H3* A 25 H3' ADE 25 17.955 -13.362 -4.996 229 H1* A 25 H1' ADE 25 16.288 -11.437 -2.060 230 H8 A 25 8H ADE 25 14.131 -14.386 -3.376 231 1H6 A 25 1H6 ADE 25 10.766 -14.267 0.131 232 2H6 A 25 2H6 ADE 25 10.512 -13.224 1.513 233 H2 A 25 2H ADE 25 13.817 -10.192 1.476 234 2H2* A 25 H2' ADE 25 17.600 -13.416 -2.314 235 2H5* C 26 H5' CYT 26 20.196 -9.626 -2.090 236 H4* C 26 H4' CYT 26 19.586 -8.727 -0.043 237 H3* C 26 H3' CYT 26 21.492 -10.611 0.069 238 H1* C 26 H1' CYT 26 18.475 -10.812 2.516 239 1H4 C 26 1H4 CYT 26 14.891 -15.966 0.379 240 2H4 C 26 2H4 CYT 26 14.274 -15.502 1.950 241 H5 C 26 5H CYT 26 16.725 -14.810 -0.707 242 H6 C 26 6H CYT 26 18.330 -12.986 -0.506 243 H3T C 26 H3T CYT 26 21.326 -8.696 1.339 244 2H2* C 26 H2' CYT 26 20.542 -11.962 2.210 245 1H GLU 438 H GLU 438 -14.405 -18.866 -11.404 246 HA GLU 438 HA GLU 438 -16.944 -17.384 -11.617 247 1HB GLU 438 2HB GLU 438 -16.395 -20.113 -10.836 248 2HB GLU 438 1HB GLU 438 -17.191 -19.245 -9.529 249 1HG GLU 438 2HG GLU 438 -18.903 -18.518 -11.244 250 2HG GLU 438 1HG GLU 438 -18.178 -19.706 -12.326 251 H ASP 439 H ASP 439 -15.956 -15.480 -10.815 252 HA ASP 439 HA ASP 439 -15.824 -15.420 -7.914 253 1HB ASP 439 2HB ASP 439 -13.458 -15.333 -9.571 254 2HB ASP 439 1HB ASP 439 -13.638 -13.823 -8.682 255 H SER 440 H SER 440 -17.610 -14.396 -9.983 256 HA SER 440 HA SER 440 -17.815 -11.695 -9.011 257 1HB SER 440 2HB SER 440 -16.274 -11.942 -11.241 258 2HB SER 440 1HB SER 440 -17.868 -11.720 -11.964 259 HG SER 440 HG SER 440 -17.366 -9.684 -11.633 260 H THR 441 H THR 441 -19.884 -11.629 -8.466 261 HA THR 441 HA THR 441 -21.937 -12.037 -10.427 262 HB THR 441 HB THR 441 -21.742 -14.337 -9.861 263 HG1 THR 441 1HG THR 441 -23.809 -13.330 -8.209 264 1HG2 THR 441 1HG2 THR 441 -20.465 -13.921 -7.709 265 2HG2 THR 441 2HG2 THR 441 -21.607 -15.263 -7.721 266 3HG2 THR 441 3HG2 THR 441 -22.042 -13.744 -6.940 267 H THR 442 H THR 442 -21.340 -11.866 -6.923 268 HA THR 442 HA THR 442 -23.330 -9.701 -6.785 269 HB THR 442 HB THR 442 -24.292 -11.725 -5.806 270 HG1 THR 442 1HG THR 442 -25.018 -10.703 -4.081 271 1HG2 THR 442 1HG2 THR 442 -21.701 -11.864 -4.395 272 2HG2 THR 442 2HG2 THR 442 -22.752 -13.153 -4.979 273 3HG2 THR 442 3HG2 THR 442 -23.145 -12.305 -3.485 274 H ASN 443 H ASN 443 -20.328 -9.800 -6.984 275 HA ASN 443 HA ASN 443 -18.552 -8.626 -6.172 276 1HB ASN 443 2HB ASN 443 -20.909 -7.171 -5.202 277 2HB ASN 443 1HB ASN 443 -19.466 -6.913 -4.223 278 1HD2 ASN 443 1HD2 ASN 443 -17.478 -6.359 -5.459 279 2HD2 ASN 443 2HD2 ASN 443 -17.651 -5.301 -6.814 280 H ILE 444 H ILE 444 -17.031 -8.782 -4.554 281 HA ILE 444 HA ILE 444 -17.842 -10.360 -2.197 282 HB ILE 444 HB ILE 444 -15.086 -10.326 -3.416 283 1HG1 ILE 444 2HG1 ILE 444 -16.405 -12.827 -3.818 284 2HG1 ILE 444 1HG1 ILE 444 -17.444 -11.555 -4.451 285 1HG2 ILE 444 1HG2 ILE 444 -14.692 -12.270 -2.058 286 2HG2 ILE 444 2HG2 ILE 444 -16.374 -12.285 -1.524 287 3HG2 ILE 444 3HG2 ILE 444 -15.305 -10.970 -1.034 288 1HD1 ILE 444 1HD1 ILE 444 -15.731 -10.790 -5.916 289 2HD1 ILE 444 2HD1 ILE 444 -15.871 -12.538 -6.104 290 3HD1 ILE 444 3HD1 ILE 444 -14.542 -11.854 -5.168 291 H THR 445 H THR 445 -15.498 -7.948 -3.351 292 HA THR 445 HA THR 445 -15.552 -6.733 -0.679 293 HB THR 445 HB THR 445 -13.002 -6.208 -1.384 294 HG1 THR 445 1HG THR 445 -13.106 -7.531 -3.234 295 1HG2 THR 445 1HG2 THR 445 -12.826 -8.751 -0.203 296 2HG2 THR 445 2HG2 THR 445 -14.266 -7.975 0.455 297 3HG2 THR 445 3HG2 THR 445 -12.699 -7.174 0.575 298 H LYS 446 H LYS 446 -14.784 -4.475 -0.677 299 HA LYS 446 HA LYS 446 -15.354 -3.164 -3.248 300 1HB LYS 446 2HB LYS 446 -16.299 -1.305 -1.993 301 2HB LYS 446 1HB LYS 446 -17.096 -2.802 -1.538 302 1HG LYS 446 2HG LYS 446 -15.741 -2.914 0.491 303 2HG LYS 446 1HG LYS 446 -14.941 -1.408 0.038 304 1HD LYS 446 2HD LYS 446 -16.546 -0.551 1.403 305 2HD LYS 446 1HD LYS 446 -17.462 -0.571 -0.106 306 1HE LYS 446 2HE LYS 446 -18.657 -2.476 0.508 307 2HE LYS 446 1HE LYS 446 -17.486 -2.926 1.746 308 1HZ LYS 446 1HZ LYS 446 -18.344 -1.436 3.229 309 2HZ LYS 446 2HZ LYS 446 -19.754 -1.836 2.386 310 3HZ LYS 446 3HZ LYS 446 -18.941 -0.395 2.036 311 H LYS 447 H LYS 447 -14.587 -0.581 -1.744 312 HA LYS 447 HA LYS 447 -11.675 -0.943 -1.975 313 1HB LYS 447 2HB LYS 447 -13.180 0.585 -3.625 314 2HB LYS 447 1HB LYS 447 -12.793 1.763 -2.382 315 1HG LYS 447 2HG LYS 447 -11.162 1.935 -4.107 316 2HG LYS 447 1HG LYS 447 -10.391 1.219 -2.689 317 1HD LYS 447 2HD LYS 447 -11.063 -1.041 -3.848 318 2HD LYS 447 1HD LYS 447 -11.129 -0.045 -5.300 319 1HE LYS 447 2HE LYS 447 -8.784 0.699 -4.789 320 2HE LYS 447 1HE LYS 447 -8.753 -0.505 -3.496 321 1HZ LYS 447 1HZ LYS 447 -9.220 -1.095 -6.369 322 2HZ LYS 447 2HZ LYS 447 -9.119 -2.232 -5.120 323 3HZ LYS 447 3HZ LYS 447 -7.757 -1.325 -5.549 324 H GLN 448 H GLN 448 -10.459 -0.369 -0.290 325 HA GLN 448 HA GLN 448 -11.637 1.356 1.780 326 1HB GLN 448 2HB GLN 448 -10.914 -1.414 2.021 327 2HB GLN 448 1HB GLN 448 -9.882 -0.448 3.067 328 1HG GLN 448 2HG GLN 448 -11.945 0.596 4.005 329 2HG GLN 448 1HG GLN 448 -12.886 -0.566 3.070 330 1HE2 GLN 448 1HE2 GLN 448 -10.787 -0.092 5.783 331 2HE2 GLN 448 2HE2 GLN 448 -11.015 -1.648 6.498 332 H LYS 449 H LYS 449 -10.405 3.059 0.829 333 HA LYS 449 HA LYS 449 -7.621 2.964 0.447 334 1HB LYS 449 2HB LYS 449 -7.765 5.460 0.476 335 2HB LYS 449 1HB LYS 449 -8.900 4.686 -0.624 336 1HG LYS 449 2HG LYS 449 -10.255 4.938 1.817 337 2HG LYS 449 1HG LYS 449 -9.410 6.467 1.567 338 1HD LYS 449 2HD LYS 449 -10.512 6.880 -0.454 339 2HD LYS 449 1HD LYS 449 -11.002 5.194 -0.636 340 1HE LYS 449 2HE LYS 449 -12.106 6.072 1.792 341 2HE LYS 449 1HE LYS 449 -12.386 7.369 0.632 342 1HZ LYS 449 1HZ LYS 449 -13.127 4.518 0.247 343 2HZ LYS 449 2HZ LYS 449 -13.399 5.765 -0.863 344 3HZ LYS 449 3HZ LYS 449 -14.196 5.772 0.629 345 H TRP 450 H TRP 450 -6.053 4.372 1.667 346 HA TRP 450 HA TRP 450 -5.925 3.519 4.369 347 1HB TRP 450 2HB TRP 450 -4.269 5.317 2.637 348 2HB TRP 450 1HB TRP 450 -3.977 5.278 4.372 349 HD1 TRP 450 HD TRP 450 -4.581 2.416 1.811 350 HE1 TRP 450 1HE TRP 450 -2.700 0.685 2.112 351 HE3 TRP 450 3HE TRP 450 -1.899 4.757 5.481 352 HZ2 TRP 450 2HZ TRP 450 -0.387 0.355 3.694 353 HZ3 TRP 450 3HZ TRP 450 0.136 3.666 6.334 354 HH2 TRP 450 HH TRP 450 0.872 1.509 5.458 355 H THR 451 H THR 451 -5.406 5.152 6.158 356 HA THR 451 HA THR 451 -7.473 7.247 6.103 357 HB THR 451 HB THR 451 -6.735 6.921 8.754 358 HG1 THR 451 1HG THR 451 -7.008 4.337 7.636 359 1HG2 THR 451 1HG2 THR 451 -9.056 6.870 7.408 360 2HG2 THR 451 2HG2 THR 451 -8.890 6.405 9.101 361 3HG2 THR 451 3HG2 THR 451 -8.909 5.166 7.845 362 H VAL 452 H VAL 452 -6.927 9.064 7.761 363 HA VAL 452 HA VAL 452 -4.469 10.253 6.854 364 HB VAL 452 HB VAL 452 -5.148 12.234 8.101 365 1HG1 VAL 452 1HG1 VAL 452 -6.671 12.851 6.562 366 2HG1 VAL 452 2HG1 VAL 452 -7.729 11.481 6.899 367 3HG1 VAL 452 3HG1 VAL 452 -6.313 11.270 5.869 368 1HG2 VAL 452 1HG2 VAL 452 -6.404 10.538 9.821 369 2HG2 VAL 452 2HG2 VAL 452 -7.767 11.186 8.910 370 3HG2 VAL 452 3HG2 VAL 452 -6.669 12.280 9.753 371 H GLU 453 H GLU 453 -5.439 8.432 9.594 372 HA GLU 453 HA GLU 453 -3.449 9.482 11.387 373 1HB GLU 453 2HB GLU 453 -5.515 7.354 11.473 374 2HB GLU 453 1HB GLU 453 -4.127 7.146 12.532 375 1HG GLU 453 2HG GLU 453 -4.899 8.640 13.970 376 2HG GLU 453 1HG GLU 453 -5.129 9.837 12.694 377 H GLU 454 H GLU 454 -3.826 6.535 9.452 378 HA GLU 454 HA GLU 454 -1.375 5.361 10.245 379 1HB GLU 454 2HB GLU 454 -3.156 4.912 7.850 380 2HB GLU 454 1HB GLU 454 -1.708 3.963 8.157 381 1HG GLU 454 2HG GLU 454 -3.336 4.040 10.512 382 2HG GLU 454 1HG GLU 454 -4.299 3.524 9.127 383 H SER 455 H SER 455 -2.267 7.580 7.679 384 HA SER 455 HA SER 455 0.217 7.380 6.279 385 1HB SER 455 2HB SER 455 -2.098 9.301 6.150 386 2HB SER 455 1HB SER 455 -0.621 9.584 5.228 387 HG SER 455 HG SER 455 -2.053 7.146 5.110 388 H GLU 456 H GLU 456 -0.995 9.332 8.905 389 HA GLU 456 HA GLU 456 0.973 11.364 8.816 390 1HB GLU 456 2HB GLU 456 -1.151 11.536 10.102 391 2HB GLU 456 1HB GLU 456 -0.531 10.341 11.235 392 1HG GLU 456 2HG GLU 456 0.669 11.853 12.335 393 2HG GLU 456 1HG GLU 456 1.296 12.563 10.848 394 H TRP 457 H TRP 457 0.787 8.275 10.520 395 HA TRP 457 HA TRP 457 3.222 8.559 11.941 396 1HB TRP 457 2HB TRP 457 1.947 5.945 11.137 397 2HB TRP 457 1HB TRP 457 2.953 6.269 12.544 398 HD1 TRP 457 HD TRP 457 1.321 8.969 13.398 399 HE1 TRP 457 1HE TRP 457 -0.958 8.669 14.560 400 HE3 TRP 457 3HE TRP 457 0.258 4.207 11.876 401 HZ2 TRP 457 2HZ TRP 457 -2.946 6.676 14.793 402 HZ3 TRP 457 3HZ TRP 457 -1.854 3.179 12.606 403 HH2 TRP 457 HH TRP 457 -3.421 4.388 14.038 404 H VAL 458 H VAL 458 2.403 7.419 8.749 405 HA VAL 458 HA VAL 458 4.838 6.076 8.209 406 HB VAL 458 HB VAL 458 2.463 6.201 6.920 407 1HG1 VAL 458 1HG1 VAL 458 4.256 7.572 4.961 408 2HG1 VAL 458 2HG1 VAL 458 3.242 8.514 6.051 409 3HG1 VAL 458 3HG1 VAL 458 2.502 7.377 4.926 410 1HG2 VAL 458 1HG2 VAL 458 3.564 4.337 6.351 411 2HG2 VAL 458 2HG2 VAL 458 5.130 5.149 6.318 412 3HG2 VAL 458 3HG2 VAL 458 4.047 5.263 4.931 413 H LYS 459 H LYS 459 3.882 9.416 8.091 414 HA LYS 459 HA LYS 459 6.045 10.288 6.430 415 1HB LYS 459 2HB LYS 459 4.116 11.747 8.233 416 2HB LYS 459 1HB LYS 459 5.379 12.575 7.332 417 1HG LYS 459 2HG LYS 459 4.403 11.534 5.248 418 2HG LYS 459 1HG LYS 459 3.030 11.052 6.247 419 1HD LYS 459 2HD LYS 459 2.801 13.473 6.902 420 2HD LYS 459 1HD LYS 459 3.997 13.845 5.660 421 1HE LYS 459 2HE LYS 459 2.530 13.550 3.983 422 2HE LYS 459 1HE LYS 459 1.788 12.146 4.751 423 1HZ LYS 459 1HZ LYS 459 1.216 14.588 6.133 424 2HZ LYS 459 2HZ LYS 459 0.158 13.393 5.574 425 3HZ LYS 459 3HZ LYS 459 0.675 14.618 4.529 426 H ALA 460 H ALA 460 5.434 10.157 9.907 427 HA ALA 460 HA ALA 460 7.985 11.358 10.548 428 1HB ALA 460 1HB ALA 460 5.942 11.701 11.937 429 2HB ALA 460 2HB ALA 460 7.342 11.129 12.842 430 3HB ALA 460 3HB ALA 460 6.048 10.008 12.420 431 H GLY 461 H GLY 461 6.649 8.161 10.208 432 1HA GLY 461 2HA GLY 461 8.555 6.712 11.691 433 2HA GLY 461 1HA GLY 461 7.591 6.074 10.370 434 H VAL 462 H VAL 462 8.495 7.599 8.250 435 HA VAL 462 HA VAL 462 11.049 6.347 7.766 436 HB VAL 462 HB VAL 462 9.560 8.235 5.943 437 1HG1 VAL 462 1HG1 VAL 462 10.887 7.413 4.209 438 2HG1 VAL 462 2HG1 VAL 462 11.401 6.008 5.140 439 3HG1 VAL 462 3HG1 VAL 462 12.020 7.609 5.545 440 1HG2 VAL 462 1HG2 VAL 462 9.068 5.741 4.968 441 2HG2 VAL 462 2HG2 VAL 462 7.948 6.673 5.961 442 3HG2 VAL 462 3HG2 VAL 462 8.992 5.462 6.708 443 H GLN 463 H GLU 463 9.864 9.531 8.531 444 HA GLN 463 HA GLU 463 12.233 10.931 7.744 445 1HB GLN 463 2HB GLU 463 9.953 11.969 7.940 446 2HB GLN 463 1HB GLU 463 10.109 11.850 9.686 447 1HG GLN 463 2HG GLU 463 10.922 13.922 9.536 448 2HG GLN 463 1HG GLU 463 12.414 13.123 9.046 449 H LYS 464 H LYS 464 11.350 9.074 10.491 450 HA LYS 464 HA LYS 464 13.539 10.243 12.064 451 1HB LYS 464 2HB LYS 464 11.085 8.689 12.826 452 2HB LYS 464 1HB LYS 464 12.453 8.807 13.922 453 1HG LYS 464 2HG LYS 464 12.169 11.388 13.406 454 2HG LYS 464 1HG LYS 464 10.512 10.878 13.077 455 1HD LYS 464 2HD LYS 464 11.159 9.581 15.440 456 2HD LYS 464 1HD LYS 464 11.900 11.174 15.611 457 1HE LYS 464 2HE LYS 464 9.316 11.541 14.508 458 2HE LYS 464 1HE LYS 464 9.159 10.439 15.872 459 1HZ LYS 464 1HZ LYS 464 10.740 12.903 16.158 460 2HZ LYS 464 2HZ LYS 464 9.930 12.008 17.344 461 3HZ LYS 464 3HZ LYS 464 9.054 12.971 16.267 462 H TYR 465 H TYR 465 12.139 7.091 11.177 463 HA TYR 465 HA TYR 465 14.578 5.735 11.985 464 1HB TYR 465 2HB TYR 465 11.970 4.703 10.855 465 2HB TYR 465 1HB TYR 465 13.329 3.675 11.296 466 HD1 TYR 465 1HD TYR 465 14.086 3.644 13.710 467 HD2 TYR 465 2HD TYR 465 10.431 5.440 12.479 468 HE1 TYR 465 1HE TYR 465 13.266 3.549 16.025 469 HE2 TYR 465 2HE TYR 465 9.601 5.350 14.792 470 HH TYR 465 HH TYR 465 9.991 4.159 16.844 471 H GLY 466 H GLY 466 12.750 6.361 9.011 472 1HA GLY 466 2HA GLY 466 14.157 6.907 7.042 473 2HA GLY 466 1HA GLY 466 15.150 5.531 7.495 474 H GLU 467 H GLU 467 14.533 5.252 5.067 475 HA GLU 467 HA GLU 467 11.926 4.007 4.708 476 1HB GLU 467 2HB GLU 467 13.430 5.525 3.045 477 2HB GLU 467 1HB GLU 467 13.905 3.918 2.512 478 1HG GLU 467 2HG GLU 467 11.367 3.458 2.415 479 2HG GLU 467 1HG GLU 467 11.216 5.215 2.431 480 H GLY 468 H GLY 468 11.584 1.854 4.249 481 1HA GLY 468 2HA GLY 468 12.219 -0.371 3.784 482 2HA GLY 468 1HA GLY 468 13.887 0.057 4.134 483 H ASN 469 H ASN 469 12.718 1.432 6.659 484 HA ASN 469 HA ASN 469 12.825 -1.000 8.287 485 1HB ASN 469 2HB ASN 469 13.984 1.578 8.559 486 2HB ASN 469 1HB ASN 469 12.844 1.382 9.884 487 1HD2 ASN 469 1HD2 ASN 469 15.858 0.468 8.566 488 2HD2 ASN 469 2HD2 ASN 469 16.346 -0.600 9.832 489 H TRP 470 H TRP 470 10.554 -1.377 7.520 490 HA TRP 470 HA TRP 470 8.520 0.298 8.740 491 1HB TRP 470 2HB TRP 470 8.006 -2.312 7.336 492 2HB TRP 470 1HB TRP 470 6.944 -0.918 7.486 493 HD1 TRP 470 HD TRP 470 9.053 -2.563 5.025 494 HE1 TRP 470 1HE TRP 470 9.624 -0.989 3.070 495 HE3 TRP 470 3HE TRP 470 7.659 1.883 7.130 496 HZ2 TRP 470 2HZ TRP 470 9.502 1.773 2.498 497 HZ3 TRP 470 3HZ TRP 470 7.920 3.944 5.812 498 HH2 TRP 470 HH TRP 470 8.822 3.888 3.543 499 H ALA 471 H ALA 471 10.012 -2.829 9.215 500 HA ALA 471 HA ALA 471 8.252 -4.092 10.908 501 1HB ALA 471 1HB ALA 471 11.266 -4.087 11.065 502 2HB ALA 471 2HB ALA 471 10.259 -5.185 10.118 503 3HB ALA 471 3HB ALA 471 10.209 -5.238 11.881 504 H ALA 472 H ALA 472 10.517 -1.503 11.680 505 HA ALA 472 HA ALA 472 9.974 -1.633 14.510 506 1HB ALA 472 1HB ALA 472 12.167 -0.908 13.590 507 2HB ALA 472 2HB ALA 472 11.454 0.247 14.717 508 3HB ALA 472 3HB ALA 472 11.384 0.551 12.982 509 H ILE 473 H ILE 473 9.012 0.421 11.796 510 HA ILE 473 HA ILE 473 7.667 2.407 13.228 511 HB ILE 473 HB ILE 473 6.966 1.342 10.488 512 1HG1 ILE 473 2HG1 ILE 473 8.686 3.732 11.144 513 2HG1 ILE 473 1HG1 ILE 473 9.364 2.128 10.886 514 1HG2 ILE 473 1HG2 ILE 473 5.914 3.473 10.098 515 2HG2 ILE 473 2HG2 ILE 473 6.399 4.047 11.692 516 3HG2 ILE 473 3HG2 ILE 473 5.218 2.745 11.547 517 1HD1 ILE 473 1HD1 ILE 473 7.549 3.114 8.790 518 2HD1 ILE 473 2HD1 ILE 473 9.059 2.213 8.659 519 3HD1 ILE 473 3HD1 ILE 473 9.090 3.953 8.950 520 H SER 474 H SER 474 6.507 -0.697 11.969 521 HA SER 474 HA SER 474 3.826 -0.292 12.904 522 1HB SER 474 2HB SER 474 5.295 -2.679 11.788 523 2HB SER 474 1HB SER 474 3.630 -2.784 12.359 524 HG SER 474 HG SER 474 3.005 -1.861 10.586 525 H LYS 475 H LYS 475 6.753 -1.600 14.219 526 HA LYS 475 HA LYS 475 5.435 -3.016 16.364 527 1HB LYS 475 2HB LYS 475 7.642 -3.683 15.286 528 2HB LYS 475 1HB LYS 475 8.367 -2.349 16.172 529 1HG LYS 475 2HG LYS 475 7.203 -3.532 18.220 530 2HG LYS 475 1HG LYS 475 7.314 -4.940 17.163 531 1HD LYS 475 2HD LYS 475 9.569 -5.045 17.318 532 2HD LYS 475 1HD LYS 475 9.750 -3.291 17.376 533 1HE LYS 475 2HE LYS 475 9.642 -3.224 19.630 534 2HE LYS 475 1HE LYS 475 8.450 -4.522 19.716 535 1HZ LYS 475 1HZ LYS 475 11.384 -4.705 19.589 536 2HZ LYS 475 2HZ LYS 475 10.444 -5.986 19.010 537 3HZ LYS 475 3HZ LYS 475 10.304 -5.498 20.624 538 H ASN 476 H ASN 476 5.985 0.195 15.790 539 HA ASN 476 HA ASN 476 6.137 0.781 18.673 540 1HB ASN 476 2HB ASN 476 8.110 1.465 17.079 541 2HB ASN 476 1HB ASN 476 7.028 2.778 16.628 542 1HD2 ASN 476 1HD2 ASN 476 8.596 1.227 19.373 543 2HD2 ASN 476 2HD2 ASN 476 8.685 2.645 20.356 544 H TYR 477 H TYR 477 4.844 1.815 15.543 545 HA TYR 477 HA TYR 477 3.040 3.698 16.804 546 1HB TYR 477 2HB TYR 477 3.587 2.918 13.951 547 2HB TYR 477 1HB TYR 477 2.189 3.902 14.371 548 HD1 TYR 477 1HD TYR 477 2.476 6.175 15.221 549 HD2 TYR 477 2HD TYR 477 5.826 3.815 14.079 550 HE1 TYR 477 1HE TYR 477 3.880 8.194 15.194 551 HE2 TYR 477 2HE TYR 477 7.240 5.826 14.048 552 HH TYR 477 HH TYR 477 6.777 8.396 13.716 553 HA PRO 478 HA PRO 478 -0.522 1.133 17.103 554 1HB PRO 478 2HB PRO 478 -2.274 3.159 15.933 555 2HB PRO 478 1HB PRO 478 -2.165 2.611 17.606 556 1HG PRO 478 2HG PRO 478 -1.356 5.070 16.821 557 2HG PRO 478 1HG PRO 478 -0.592 4.192 18.159 558 1HD PRO 478 2HD PRO 478 0.333 4.508 15.327 559 2HD PRO 478 1HD PRO 478 1.274 4.580 16.836 560 H PHE 479 H PHE 479 0.754 0.263 14.910 561 HA PHE 479 HA PHE 479 -1.050 0.388 12.631 562 1HB PHE 479 2HB PHE 479 1.737 -0.541 13.086 563 2HB PHE 479 1HB PHE 479 0.824 -1.342 11.808 564 HD1 PHE 479 1HD PHE 479 0.023 -0.065 9.872 565 HD2 PHE 479 2HD PHE 479 2.471 1.714 12.863 566 HE1 PHE 479 1HE PHE 479 0.518 1.803 8.349 567 HE2 PHE 479 2HE PHE 479 2.970 3.587 11.349 568 HZ PHE 479 HZ PHE 479 1.993 3.634 9.087 569 H VAL 480 H VAL 480 -2.113 -1.413 11.745 570 HA VAL 480 HA VAL 480 -1.950 -3.992 13.002 571 HB VAL 480 HB VAL 480 -4.452 -4.015 13.511 572 1HG1 VAL 480 1HG1 VAL 480 -2.402 -3.782 15.126 573 2HG1 VAL 480 2HG1 VAL 480 -4.045 -3.573 15.729 574 3HG1 VAL 480 3HG1 VAL 480 -3.050 -2.162 15.379 575 1HG2 VAL 480 1HG2 VAL 480 -4.898 -1.854 12.339 576 2HG2 VAL 480 2HG2 VAL 480 -4.065 -1.030 13.656 577 3HG2 VAL 480 3HG2 VAL 480 -5.541 -1.938 13.979 578 H ASN 481 H ASN 481 -2.982 -5.627 11.800 579 HA ASN 481 HA ASN 481 -3.588 -6.640 9.846 580 1HB ASN 481 2HB ASN 481 -5.626 -4.781 10.592 581 2HB ASN 481 1HB ASN 481 -5.514 -4.802 8.836 582 1HD2 ASN 481 1HD2 ASN 481 -6.491 -6.481 11.643 583 2HD2 ASN 481 2HD2 ASN 481 -7.126 -7.884 10.861 584 H ARG 482 H ARG 482 -1.454 -4.577 9.727 585 HA ARG 482 HA ARG 482 -1.503 -4.202 6.824 586 1HB ARG 482 2HB ARG 482 -1.720 -2.096 8.739 587 2HB ARG 482 1HB ARG 482 -0.151 -1.965 7.959 588 1HG ARG 482 2HG ARG 482 -1.472 -0.683 6.588 589 2HG ARG 482 1HG ARG 482 -1.512 -2.242 5.764 590 1HD ARG 482 2HD ARG 482 -3.743 -1.477 5.803 591 2HD ARG 482 1HD ARG 482 -3.638 -2.715 7.056 592 HE ARG 482 HE ARG 482 -3.160 -0.139 8.138 593 1HH1 ARG 482 1HH1 ARG 482 -5.721 -2.204 6.978 594 2HH1 ARG 482 2HH1 ARG 482 -6.936 -1.463 7.965 595 1HH2 ARG 482 1HH2 ARG 482 -4.756 0.838 9.437 596 2HH2 ARG 482 2HH2 ARG 482 -6.389 0.264 9.360 597 H THR 483 H THR 483 0.113 -5.485 6.198 598 HA THR 483 HA THR 483 2.447 -5.916 7.823 599 HB THR 483 HB THR 483 3.128 -7.079 5.509 600 HG1 THR 483 1HG THR 483 1.538 -7.265 4.167 601 1HG2 THR 483 1HG2 THR 483 2.934 -8.506 7.313 602 2HG2 THR 483 2HG2 THR 483 1.660 -9.064 6.227 603 3HG2 THR 483 3HG2 THR 483 1.256 -8.056 7.617 604 H ALA 484 H ALA 484 4.651 -5.809 6.668 605 HA ALA 484 HA ALA 484 5.257 -3.106 6.178 606 1HB ALA 484 1HB ALA 484 6.915 -4.647 7.068 607 2HB ALA 484 2HB ALA 484 7.503 -3.894 5.586 608 3HB ALA 484 3HB ALA 484 6.910 -5.553 5.552 609 H VAL 485 H VAL 485 4.121 -5.575 4.087 610 HA VAL 485 HA VAL 485 5.176 -4.567 1.643 611 HB VAL 485 HB VAL 485 2.736 -6.300 2.065 612 1HG1 VAL 485 1HG1 VAL 485 2.773 -5.319 -0.148 613 2HG1 VAL 485 2HG1 VAL 485 3.172 -7.034 -0.252 614 3HG1 VAL 485 3HG1 VAL 485 4.448 -5.824 -0.373 615 1HG2 VAL 485 1HG2 VAL 485 4.226 -7.776 2.856 616 2HG2 VAL 485 2HG2 VAL 485 5.603 -6.855 2.252 617 3HG2 VAL 485 3HG2 VAL 485 4.727 -7.944 1.173 618 H MET 486 H MET 486 2.051 -4.212 3.300 619 HA MET 486 HA MET 486 0.846 -2.615 1.297 620 1HB MET 486 2HB MET 486 0.261 -3.092 4.207 621 2HB MET 486 1HB MET 486 -0.662 -1.918 3.282 622 1HG MET 486 2HG MET 486 -1.445 -3.604 1.788 623 2HG MET 486 1HG MET 486 -0.365 -4.804 2.497 624 1HE MET 486 1HE MET 486 -3.824 -4.876 2.153 625 2HE MET 486 2HE MET 486 -3.661 -3.141 2.419 626 3HE MET 486 3HE MET 486 -4.601 -4.122 3.545 627 H ILE 487 H ILE 487 2.676 -1.855 4.214 628 HA ILE 487 HA ILE 487 2.296 0.917 4.241 629 HB ILE 487 HB ILE 487 4.645 -0.720 5.204 630 1HG1 ILE 487 2HG1 ILE 487 2.766 0.561 7.092 631 2HG1 ILE 487 1HG1 ILE 487 2.091 -0.748 6.125 632 1HG2 ILE 487 1HG2 ILE 487 4.354 2.128 4.995 633 2HG2 ILE 487 2HG2 ILE 487 5.731 1.182 5.555 634 3HG2 ILE 487 3HG2 ILE 487 4.464 1.648 6.688 635 1HD1 ILE 487 1HD1 ILE 487 3.578 -0.955 8.473 636 2HD1 ILE 487 2HD1 ILE 487 4.646 -1.508 7.182 637 3HD1 ILE 487 3HD1 ILE 487 3.069 -2.263 7.404 638 H LYS 488 H LYS 488 5.062 -0.930 2.940 639 HA LYS 488 HA LYS 488 6.390 1.252 1.799 640 1HB LYS 488 2HB LYS 488 7.665 -0.373 0.537 641 2HB LYS 488 1HB LYS 488 7.415 -0.967 2.173 642 1HG LYS 488 2HG LYS 488 6.324 -2.773 1.462 643 2HG LYS 488 1HG LYS 488 5.334 -1.838 0.341 644 1HD LYS 488 2HD LYS 488 8.054 -1.965 -0.595 645 2HD LYS 488 1HD LYS 488 7.438 -3.588 -0.281 646 1HE LYS 488 2HE LYS 488 6.576 -3.420 -2.348 647 2HE LYS 488 1HE LYS 488 5.323 -2.464 -1.559 648 1HZ LYS 488 1HZ LYS 488 6.036 -1.182 -3.360 649 2HZ LYS 488 2HZ LYS 488 7.672 -1.505 -3.079 650 3HZ LYS 488 3HZ LYS 488 6.820 -0.489 -2.029 651 H ASP 489 H ASP 489 3.560 -0.405 0.773 652 HA ASP 489 HA ASP 489 3.736 0.082 -2.009 653 1HB ASP 489 2HB ASP 489 1.817 -1.028 -0.165 654 2HB ASP 489 1HB ASP 489 1.008 0.045 -1.302 655 H ARG 490 H ARG 490 1.688 1.718 0.425 656 HA ARG 490 HA ARG 490 0.894 3.810 -1.252 657 1HB ARG 490 2HB ARG 490 -0.048 4.818 0.648 658 2HB ARG 490 1HB ARG 490 -0.101 3.097 0.988 659 1HG ARG 490 2HG ARG 490 0.810 3.621 2.948 660 2HG ARG 490 1HG ARG 490 2.313 3.838 2.053 661 1HD ARG 490 2HD ARG 490 1.900 5.773 3.441 662 2HD ARG 490 1HD ARG 490 1.758 6.220 1.745 663 HE ARG 490 HE ARG 490 -0.421 6.008 3.689 664 1HH1 ARG 490 1HH1 ARG 490 0.625 6.766 0.437 665 2HH1 ARG 490 2HH1 ARG 490 -0.844 7.588 0.030 666 1HH2 ARG 490 1HH2 ARG 490 -2.346 7.083 3.140 667 2HH2 ARG 490 2HH2 ARG 490 -2.528 7.763 1.558 668 H TRP 491 H TRP 491 3.797 3.377 0.621 669 HA TRP 491 HA TRP 491 4.613 6.119 0.548 670 1HB TRP 491 2HB TRP 491 5.392 4.405 2.232 671 2HB TRP 491 1HB TRP 491 6.379 3.701 0.955 672 HD1 TRP 491 HD TRP 491 8.784 4.552 0.910 673 HE1 TRP 491 1HE TRP 491 10.021 6.653 1.740 674 HE3 TRP 491 3HE TRP 491 4.788 7.200 2.687 675 HZ2 TRP 491 2HZ TRP 491 9.385 9.105 2.985 676 HZ3 TRP 491 3HZ TRP 491 5.187 9.414 3.682 677 HH2 TRP 491 HH TRP 491 7.441 10.344 3.828 678 H ARG 492 H ARG 492 4.962 3.369 -1.559 679 HA ARG 492 HA ARG 492 7.075 4.505 -3.138 680 1HB ARG 492 2HB ARG 492 6.464 2.011 -2.834 681 2HB ARG 492 1HB ARG 492 5.239 2.311 -4.057 682 1HG ARG 492 2HG ARG 492 7.850 3.310 -4.841 683 2HG ARG 492 1HG ARG 492 7.856 1.578 -4.506 684 1HD ARG 492 2HD ARG 492 5.530 2.354 -6.042 685 2HD ARG 492 1HD ARG 492 7.024 2.827 -6.849 686 HE ARG 492 HE ARG 492 7.024 0.117 -5.883 687 1HH1 ARG 492 1HH1 ARG 492 6.186 2.215 -8.544 688 2HH1 ARG 492 2HH1 ARG 492 6.246 0.949 -9.723 689 1HH2 ARG 492 1HH2 ARG 492 7.103 -1.548 -7.433 690 2HH2 ARG 492 2HH2 ARG 492 6.766 -1.188 -9.093 691 H THR 493 H THR 493 3.594 4.556 -3.187 692 HA THR 493 HA THR 493 3.432 5.584 -5.881 693 HB THR 493 HB THR 493 1.297 5.420 -3.745 694 HG1 THR 493 1HG THR 493 1.472 3.373 -4.137 695 1HG2 THR 493 1HG2 THR 493 0.145 6.660 -5.209 696 2HG2 THR 493 2HG2 THR 493 0.008 5.142 -6.098 697 3HG2 THR 493 3HG2 THR 493 1.253 6.314 -6.535 698 H MET 494 H MET 494 3.549 6.865 -2.642 699 HA MET 494 HA MET 494 2.654 9.496 -3.371 700 1HB MET 494 2HB MET 494 3.660 8.174 -0.906 701 2HB MET 494 1HB MET 494 3.836 9.920 -1.007 702 1HG MET 494 2HG MET 494 1.225 9.420 -1.821 703 2HG MET 494 1HG MET 494 1.495 8.325 -0.468 704 1HE MET 494 1HE MET 494 1.224 10.417 2.552 705 2HE MET 494 2HE MET 494 2.454 9.286 1.987 706 3HE MET 494 3HE MET 494 0.747 8.951 1.696 707 H LYS 495 H LYS 495 5.726 7.850 -3.097 708 HA LYS 495 HA LYS 495 7.250 10.300 -3.340 709 1HB LYS 495 2HB LYS 495 7.826 7.930 -2.180 710 2HB LYS 495 1HB LYS 495 8.591 7.695 -3.744 711 1HG LYS 495 2HG LYS 495 10.320 8.932 -3.132 712 2HG LYS 495 1HG LYS 495 9.260 10.287 -2.743 713 1HD LYS 495 2HD LYS 495 9.232 9.799 -0.524 714 2HD LYS 495 1HD LYS 495 9.342 8.060 -0.796 715 1HE LYS 495 2HE LYS 495 11.517 8.127 -0.362 716 2HE LYS 495 1HE LYS 495 11.757 9.249 -1.702 717 1HZ LYS 495 1HZ LYS 495 10.841 10.917 0.130 718 2HZ LYS 495 2HZ LYS 495 12.484 10.557 -0.030 719 3HZ LYS 495 3HZ LYS 495 11.561 9.779 1.154 720 H ARG 496 H ARG 496 5.924 7.897 -5.426 721 HA ARG 496 HA ARG 496 7.698 8.500 -7.632 722 1HB ARG 496 2HB ARG 496 5.350 6.674 -7.260 723 2HB ARG 496 1HB ARG 496 5.875 7.088 -8.885 724 1HG ARG 496 2HG ARG 496 7.977 6.190 -7.017 725 2HG ARG 496 1HG ARG 496 6.803 4.978 -7.537 726 1HD ARG 496 2HD ARG 496 7.977 4.746 -9.411 727 2HD ARG 496 1HD ARG 496 7.498 6.384 -9.851 728 HE ARG 496 HE ARG 496 9.804 6.223 -8.120 729 1HH1 ARG 496 1HH1 ARG 496 8.661 6.317 -11.420 730 2HH1 ARG 496 2HH1 ARG 496 10.165 6.894 -12.053 731 1HH2 ARG 496 1HH2 ARG 496 11.780 6.979 -8.957 732 2HH2 ARG 496 2HH2 ARG 496 11.936 7.269 -10.658 733 H LEU 497 H LEU 497 4.369 9.227 -6.695 734 HA LEU 497 HA LEU 497 4.396 11.468 -8.567 735 1HB LEU 497 2HB LEU 497 2.755 9.070 -8.829 736 2HB LEU 497 1HB LEU 497 1.800 10.540 -8.793 737 HG LEU 497 HG LEU 497 3.977 10.976 -10.571 738 1HD1 LEU 497 1HD1 LEU 497 2.394 8.638 -11.529 739 2HD1 LEU 497 2HD1 LEU 497 3.822 8.370 -10.531 740 3HD1 LEU 497 3HD1 LEU 497 3.967 9.231 -12.063 741 1HD2 LEU 497 1HD2 LEU 497 1.303 10.441 -11.673 742 2HD2 LEU 497 2HD2 LEU 497 2.348 11.849 -11.857 743 3HD2 LEU 497 3HD2 LEU 497 1.370 11.658 -10.401 744 H GLY 498 H GLY 498 4.581 12.756 -6.680 745 1HA GLY 498 2HA GLY 498 2.339 13.962 -5.731 746 2HA GLY 498 1HA GLY 498 2.569 12.618 -4.623 747 H MET 499 H MET 499 4.825 12.459 -3.682 748 HA MET 499 HA MET 499 5.497 15.036 -2.572 749 1HB MET 499 2HB MET 499 6.651 12.284 -2.086 750 2HB MET 499 1HB MET 499 7.106 13.730 -1.193 751 1HG MET 499 2HG MET 499 4.386 13.735 -0.948 752 2HG MET 499 1HG MET 499 4.762 12.013 -0.927 753 1HE MET 499 1HE MET 499 5.481 15.437 1.558 754 2HE MET 499 2HE MET 499 4.302 14.444 2.417 755 3HE MET 499 3HE MET 499 4.040 14.859 0.723 756 H ASN 500 H ASN 500 6.330 13.612 -5.397 757 HA ASN 500 HA ASN 500 8.847 15.103 -5.507 758 1HB ASN 500 2HB ASN 500 8.586 12.212 -5.645 759 2HB ASN 500 1HB ASN 500 9.325 12.864 -7.104 760 1HD2 ASN 500 1HD2 ASN 500 11.329 13.808 -6.997 761 2HD2 ASN 500 2HD2 ASN 500 12.343 13.706 -5.602 Start of MODEL 3 1 2H5* G 1 H5' GUA 1 8.185 -14.456 11.917 2 H4* G 1 H4' GUA 1 10.020 -12.736 12.118 3 H3* G 1 H3' GUA 1 7.671 -12.436 10.869 4 H1* G 1 H1' GUA 1 10.953 -11.679 8.901 5 H8 G 1 8H GUA 1 9.132 -14.894 7.808 6 H1 G 1 1H GUA 1 14.645 -13.646 4.774 7 1H2 G 1 1H2 GUA 1 14.933 -11.017 7.006 8 2H2 G 1 2H2 GUA 1 15.625 -11.895 5.660 9 2H2* G 1 H2' GUA 1 8.617 -11.432 8.539 10 H5T G 1 H5T GUA 1 9.267 -14.700 9.502 11 2H5* T 2 H5' THY 2 10.730 -8.493 10.859 12 H4* T 2 H4' THY 2 12.208 -7.540 9.453 13 H3* T 2 H3' THY 2 9.774 -6.474 9.021 14 2H2* T 2 H2' THY 2 9.889 -6.461 6.316 15 H1* T 2 H1' THY 2 11.931 -7.654 6.010 16 H3 T 2 3H THY 2 11.299 -10.820 2.942 17 1H5M T 2 1H7 THY 2 8.506 -12.797 6.681 18 2H5M T 2 2H7 THY 2 7.676 -12.597 5.119 19 3H5M T 2 3H7 THY 2 7.359 -11.456 6.450 20 H6 T 2 6H THY 2 9.236 -9.934 7.150 21 2H5* T 3 H5' THY 3 13.574 -4.229 6.347 22 H4* T 3 H4' THY 3 14.490 -4.594 4.290 23 H3* T 3 H3' THY 3 12.439 -2.842 4.198 24 2H2* T 3 H2' THY 3 11.320 -3.770 1.915 25 H1* T 3 H1' THY 3 12.711 -5.690 1.594 26 H3 T 3 3H THY 3 10.259 -9.312 0.727 27 1H5M T 3 1H7 THY 3 8.325 -7.103 5.259 28 2H5M T 3 2H7 THY 3 8.065 -8.822 4.885 29 3H5M T 3 3H7 THY 3 7.150 -7.574 4.009 30 H6 T 3 6H THY 3 10.126 -6.064 4.216 31 2H5* A 4 H5' ADE 4 15.010 -2.832 -0.502 32 H4* A 4 H4' ADE 4 14.857 -4.255 -2.337 33 H3* A 4 H3' ADE 4 13.250 -2.073 -2.380 34 H1* A 4 H1' ADE 4 11.922 -5.560 -3.383 35 H8 A 4 8H ADE 4 10.656 -4.479 0.130 36 1H6 A 4 1H6 ADE 4 7.367 -8.017 0.678 37 2H6 A 4 2H6 ADE 4 6.898 -9.381 -0.311 38 H2 A 4 2H ADE 4 9.454 -9.252 -3.992 39 2H2* A 4 H2' ADE 4 11.087 -3.312 -3.439 40 2H5* G 5 H5' GUA 5 13.686 -4.510 -6.835 41 H4* G 5 H4' GUA 5 12.587 -6.102 -8.016 42 H3* G 5 H3' GUA 5 11.567 -3.666 -8.538 43 H1* G 5 H1' GUA 5 9.197 -6.640 -7.784 44 H8 G 5 8H GUA 5 9.610 -4.253 -4.752 45 H1 G 5 1H GUA 5 4.962 -8.650 -4.297 46 1H2 G 5 1H2 GUA 5 6.061 -9.699 -7.406 47 2H2 G 5 2H2 GUA 5 4.935 -9.923 -6.084 48 2H2* G 5 H2' GUA 5 8.955 -4.369 -8.502 49 2H5* G 6 H5' GUA 6 9.631 -7.298 -11.360 50 H4* G 6 H4' GUA 6 7.724 -8.425 -11.703 51 H3* G 6 H3' GUA 6 7.436 -5.982 -12.803 52 H1* G 6 H1' GUA 6 4.642 -7.445 -10.551 53 H8 G 6 8H GUA 6 6.700 -4.669 -8.797 54 H1 G 6 1H GUA 6 1.599 -6.866 -5.589 55 1H2 G 6 1H2 GUA 6 1.248 -9.058 -8.243 56 2H2 G 6 2H2 GUA 6 0.640 -8.496 -6.701 57 2H2* G 6 H2' GUA 6 4.915 -5.515 -11.941 58 2H5* G 7 H5' GUA 7 3.721 -9.265 -14.036 59 H4* G 7 H4' GUA 7 1.646 -9.826 -13.317 60 H3* G 7 H3' GUA 7 1.521 -7.797 -15.075 61 H1* G 7 H1' GUA 7 -0.458 -7.556 -11.734 62 H8 G 7 8H GUA 7 2.786 -5.431 -11.772 63 H1 G 7 1H GUA 7 -1.084 -4.610 -6.723 64 1H2 G 7 1H2 GUA 7 -3.021 -7.074 -8.185 65 2H2 G 7 2H2 GUA 7 -2.810 -5.960 -6.854 66 2H2* G 7 H2' GUA 7 -0.298 -6.293 -13.752 67 2H5* T 8 H5' THY 8 -2.750 -9.730 -13.578 68 H4* T 8 H4' THY 8 -4.510 -9.378 -12.222 69 H3* T 8 H3' THY 8 -4.963 -8.148 -14.578 70 2H2* T 8 H2' THY 8 -6.013 -5.867 -13.560 71 H1* T 8 H1' THY 8 -5.608 -6.263 -11.242 72 H3 T 8 3H THY 8 -3.850 -2.533 -9.563 73 1H5M T 8 1H7 THY 8 0.150 -4.271 -12.213 74 2H5M T 8 2H7 THY 8 -0.734 -3.741 -13.663 75 3H5M T 8 3H7 THY 8 -0.277 -2.555 -12.419 76 H6 T 8 6H THY 8 -2.373 -5.575 -12.928 77 2H5* T 9 H5' THY 9 -9.030 -8.557 -11.500 78 H4* T 9 H4' THY 9 -9.959 -7.260 -9.904 79 H3* T 9 H3' THY 9 -10.994 -6.631 -12.328 80 2H2* T 9 H2' THY 9 -11.072 -3.951 -11.923 81 H1* T 9 H1' THY 9 -9.911 -3.884 -9.829 82 H3 T 9 3H THY 9 -6.877 -0.632 -10.012 83 1H5M T 9 1H7 THY 9 -4.965 -2.214 -13.858 84 2H5M T 9 2H7 THY 9 -4.813 -3.906 -13.327 85 3H5M T 9 3H7 THY 9 -6.121 -3.439 -14.439 86 H6 T 9 6H THY 9 -7.603 -4.532 -12.660 87 2H5* A 10 H5' ADE 10 -13.610 -4.572 -8.292 88 H4* A 10 H4' ADE 10 -13.106 -2.649 -7.106 89 H3* A 10 H3' ADE 10 -15.033 -2.375 -8.997 90 H1* A 10 H1' ADE 10 -12.249 0.253 -8.546 91 H8 A 10 8H ADE 10 -11.629 -1.941 -11.697 92 1H6 A 10 1H6 ADE 10 -8.123 0.811 -13.639 93 2H6 A 10 2H6 ADE 10 -7.333 2.284 -13.125 94 H2 A 10 2H ADE 10 -9.173 3.438 -9.202 95 2H2* A 10 H2' ADE 10 -14.266 0.082 -9.838 96 2H5* G 11 H5' GUA 11 -15.543 1.707 -5.436 97 H4* G 11 H4' GUA 11 -13.894 3.421 -5.228 98 H3* G 11 H3' GUA 11 -16.290 3.958 -6.378 99 H1* G 11 H1' GUA 11 -12.986 5.213 -7.919 100 H8 G 11 8H GUA 11 -14.286 2.071 -9.795 101 H1 G 11 1H GUA 11 -9.841 5.561 -12.830 102 1H2 G 11 1H2 GUA 11 -9.958 7.595 -10.033 103 2H2 G 11 2H2 GUA 11 -9.256 7.288 -11.604 104 2H2* G 11 H2' GUA 11 -15.327 5.549 -8.345 105 2H5* G 12 H5' GUA 12 -13.859 8.355 -4.799 106 H4* G 12 H4' GUA 12 -12.109 9.533 -5.810 107 H3* G 12 H3' GUA 12 -14.572 10.577 -6.067 108 H1* G 12 H1' GUA 12 -12.273 10.293 -9.177 109 H8 G 12 8H GUA 12 -14.802 7.355 -8.980 110 H1 G 12 1H GUA 12 -11.980 8.304 -14.663 111 1H2 G 12 1H2 GUA 12 -10.370 10.931 -13.089 112 2H2 G 12 2H2 GUA 12 -10.604 10.009 -14.558 113 2H2* G 12 H2' GUA 12 -14.405 11.256 -8.678 114 2H5* G 13 H5' GUA 13 -11.006 14.192 -7.600 115 H4* G 13 H4' GUA 13 -9.839 14.487 -9.645 116 H3* G 13 H3' GUA 13 -11.929 16.080 -9.092 117 H1* G 13 H1' GUA 13 -11.691 14.387 -12.583 118 H8 G 13 8H GUA 13 -14.061 12.496 -10.158 119 H1 G 13 1H GUA 13 -14.537 10.963 -16.370 120 1H2 G 13 1H2 GUA 13 -12.031 13.304 -16.831 121 2H2 G 13 2H2 GUA 13 -13.112 12.135 -17.557 122 H3T G 13 H3T GUA 13 -9.903 16.022 -10.862 123 2H2* G 13 H2' GUA 13 -13.087 16.015 -11.534 124 2H5* C 14 H5' CYT 14 -14.524 8.708 -24.996 125 H4* C 14 H4' CYT 14 -13.006 10.482 -24.117 126 H3* C 14 H3' CYT 14 -12.561 7.831 -24.006 127 H1* C 14 H1' CYT 14 -12.238 9.970 -20.779 128 1H4 C 14 1H4 CYT 14 -17.370 8.146 -17.002 129 2H4 C 14 2H4 CYT 14 -16.407 9.275 -16.074 130 H5 C 14 5H CYT 14 -16.833 7.520 -19.278 131 H6 C 14 6H CYT 14 -15.268 7.848 -21.121 132 2H2* C 14 H2' CYT 14 -11.789 7.715 -21.415 133 H5T C 14 H5T CYT 14 -14.935 7.854 -22.807 134 2H5* C 15 H5' CYT 15 -8.054 10.442 -22.775 135 H4* C 15 H4' CYT 15 -7.562 11.500 -20.763 136 H3* C 15 H3' CYT 15 -6.520 9.031 -21.082 137 H1* C 15 H1' CYT 15 -8.253 10.015 -17.752 138 1H4 C 15 1H4 CYT 15 -13.830 6.436 -17.573 139 2H4 C 15 2H4 CYT 15 -13.621 7.172 -15.998 140 H5 C 15 5H CYT 15 -12.286 6.785 -19.406 141 H6 C 15 6H CYT 15 -10.234 7.909 -20.097 142 2H2* C 15 H2' CYT 15 -6.974 8.167 -18.553 143 2H5* C 16 H5' CYT 16 -4.648 11.788 -17.242 144 H4* C 16 H4' CYT 16 -5.225 11.992 -15.049 145 H3* C 16 H3' CYT 16 -3.202 10.250 -15.385 146 H1* C 16 H1' CYT 16 -6.232 9.276 -13.129 147 1H4 C 16 1H4 CYT 16 -9.449 4.634 -16.602 148 2H4 C 16 2H4 CYT 16 -10.019 4.553 -14.950 149 H5 C 16 5H CYT 16 -7.768 6.215 -17.339 150 H6 C 16 6H CYT 16 -6.297 8.033 -16.639 151 2H2* C 16 H2' CYT 16 -4.091 8.380 -13.625 152 2H5* T 17 H5' THY 17 -4.210 11.670 -10.533 153 H4* T 17 H4' THY 17 -5.751 10.817 -9.071 154 H3* T 17 H3' THY 17 -3.249 9.871 -8.650 155 2H2* T 17 H2' THY 17 -3.983 7.321 -8.099 156 H1* T 17 H1' THY 17 -6.308 7.494 -8.635 157 H3 T 17 3H THY 17 -7.402 3.977 -11.137 158 1H5M T 17 1H7 THY 17 -4.741 6.040 -14.650 159 2H5M T 17 2H7 THY 17 -3.356 6.525 -13.641 160 3H5M T 17 3H7 THY 17 -3.692 4.800 -13.923 161 H6 T 17 6H THY 17 -4.245 7.505 -11.718 162 2H5* A 18 H5' ADE 18 -6.531 8.355 -5.214 163 H4* A 18 H4' ADE 18 -7.214 6.711 -3.854 164 H3* A 18 H3' ADE 18 -4.575 6.867 -3.588 165 H1* A 18 H1' ADE 18 -6.027 3.288 -4.648 166 H8 A 18 8H ADE 18 -4.087 5.392 -7.203 167 1H6 A 18 1H6 ADE 18 -4.670 2.460 -11.035 168 2H6 A 18 2H6 ADE 18 -5.600 1.000 -11.296 169 H2 A 18 2H ADE 18 -7.752 0.130 -7.461 170 2H2* A 18 H2' ADE 18 -4.052 4.183 -3.817 171 2H5* A 19 H5' ADE 19 -7.089 3.406 -1.318 172 H4* A 19 H4' ADE 19 -7.650 1.252 -1.544 173 H3* A 19 H3' ADE 19 -5.334 1.313 -0.188 174 H1* A 19 H1' ADE 19 -5.677 -1.068 -3.258 175 H8 A 19 8H ADE 19 -3.468 2.046 -3.911 176 1H6 A 19 1H6 ADE 19 -2.043 0.847 -8.400 177 2H6 A 19 2H6 ADE 19 -2.442 -0.481 -9.469 178 H2 A 19 2H ADE 19 -5.383 -3.066 -7.286 179 2H2* A 19 H2' ADE 19 -4.086 -0.682 -1.530 180 2H5* C 20 H5' CYT 20 -7.544 -3.215 -0.482 181 H4* C 20 H4' CYT 20 -7.416 -5.094 -1.725 182 H3* C 20 H3' CYT 20 -5.670 -5.249 0.309 183 H1* C 20 H1' CYT 20 -4.480 -6.116 -3.294 184 1H4 C 20 1H4 CYT 20 -0.492 -1.104 -5.013 185 2H4 C 20 2H4 CYT 20 -0.322 -2.361 -6.221 186 H5 C 20 5H CYT 20 -1.990 -1.298 -3.119 187 H6 C 20 6H CYT 20 -3.621 -2.730 -2.004 188 2H2* C 20 H2' CYT 20 -3.577 -6.243 -1.092 189 2H5* C 21 H5' CYT 21 -6.400 -9.741 -2.108 190 H4* C 21 H4' CYT 21 -5.300 -10.816 -3.754 191 H3* C 21 H3' CYT 21 -4.175 -11.448 -1.396 192 H1* C 21 H1' CYT 21 -1.918 -10.397 -4.378 193 1H4 C 21 1H4 CYT 21 0.459 -4.433 -2.724 194 2H4 C 21 2H4 CYT 21 1.294 -4.956 -4.170 195 H5 C 21 5H CYT 21 -1.273 -5.751 -1.655 196 H6 C 21 6H CYT 21 -2.549 -7.825 -1.761 197 2H2* C 21 H2' CYT 21 -1.592 -11.256 -2.173 198 2H5* C 22 H5' CYT 22 -2.241 -14.161 -5.185 199 H4* C 22 H4' CYT 22 -0.330 -14.419 -6.323 200 H3* C 22 H3' CYT 22 0.031 -15.513 -3.896 201 H1* C 22 H1' CYT 22 2.707 -13.090 -5.327 202 1H4 C 22 1H4 CYT 22 2.255 -7.619 -1.612 203 2H4 C 22 2H4 CYT 22 3.622 -7.421 -2.687 204 H5 C 22 5H CYT 22 0.834 -9.582 -1.641 205 H6 C 22 6H CYT 22 0.440 -11.742 -2.704 206 2H2* C 22 H2' CYT 22 2.500 -14.516 -3.420 207 2H5* T 23 H5' THY 23 3.744 -16.120 -7.163 208 H4* T 23 H4' THY 23 5.772 -15.281 -7.682 209 H3* T 23 H3' THY 23 6.046 -17.194 -5.803 210 2H2* T 23 H2' THY 23 7.869 -15.907 -4.273 211 H1* T 23 H1' THY 23 7.883 -13.800 -5.406 212 H3 T 23 3H THY 23 7.607 -10.562 -2.363 213 1H5M T 23 1H7 THY 23 2.898 -12.717 -2.054 214 2H5M T 23 2H7 THY 23 3.691 -12.082 -0.592 215 3H5M T 23 3H7 THY 23 3.772 -13.821 -0.966 216 H6 T 23 6H THY 23 4.756 -14.228 -3.452 217 2H5* A 24 H5' ADE 24 10.508 -15.767 -7.960 218 H4* A 24 H4' ADE 24 12.099 -14.227 -7.483 219 H3* A 24 H3' ADE 24 12.623 -16.532 -6.212 220 H1* A 24 H1' ADE 24 12.794 -13.185 -4.247 221 H8 A 24 8H ADE 24 9.615 -15.269 -3.447 222 1H6 A 24 1H6 ADE 24 7.992 -12.493 0.198 223 2H6 A 24 2H6 ADE 24 8.555 -10.999 0.909 224 H2 A 24 2H ADE 24 12.244 -9.801 -1.344 225 2H2* A 24 H2' ADE 24 13.321 -15.475 -3.822 226 2H5* A 25 H5' ADE 25 16.741 -13.283 -6.031 227 H4* A 25 H4' ADE 25 17.261 -11.552 -4.602 228 H3* A 25 H3' ADE 25 18.367 -13.905 -3.913 229 H1* A 25 H1' ADE 25 16.596 -11.744 -1.217 230 H8 A 25 8H ADE 25 14.471 -14.793 -2.349 231 1H6 A 25 1H6 ADE 25 11.017 -14.398 1.048 232 2H6 A 25 2H6 ADE 25 10.731 -13.252 2.338 233 H2 A 25 2H ADE 25 14.044 -10.237 2.153 234 2H2* A 25 H2' ADE 25 17.918 -13.733 -1.251 235 2H5* C 26 H5' CYT 26 20.426 -9.961 -1.175 236 H4* C 26 H4' CYT 26 19.785 -8.896 0.796 237 H3* C 26 H3' CYT 26 21.694 -10.762 1.042 238 H1* C 26 H1' CYT 26 18.668 -10.826 3.487 239 1H4 C 26 1H4 CYT 26 15.104 -16.094 1.618 240 2H4 C 26 2H4 CYT 26 14.515 -15.581 3.183 241 H5 C 26 5H CYT 26 16.909 -14.970 0.458 242 H6 C 26 6H CYT 26 18.504 -13.128 0.564 243 H3T C 26 H3T CYT 26 20.449 -9.335 3.162 244 2H2* C 26 H2' CYT 26 20.742 -11.975 3.263 245 1H GLU 438 H GLU 438 -27.099 -14.816 3.524 246 HA GLU 438 HA GLU 438 -29.872 -15.290 4.311 247 1HB GLU 438 2HB GLU 438 -27.697 -15.538 6.114 248 2HB GLU 438 1HB GLU 438 -28.530 -14.042 6.517 249 1HG GLU 438 2HG GLU 438 -30.655 -15.614 6.302 250 2HG GLU 438 1HG GLU 438 -29.459 -16.847 6.704 251 H ASP 439 H ASP 439 -27.144 -13.013 4.369 252 HA ASP 439 HA ASP 439 -28.957 -10.912 3.449 253 1HB ASP 439 2HB ASP 439 -28.023 -11.050 6.101 254 2HB ASP 439 1HB ASP 439 -27.069 -9.791 5.321 255 H SER 440 H SER 440 -27.383 -8.800 3.233 256 HA SER 440 HA SER 440 -25.754 -7.820 1.990 257 1HB SER 440 2HB SER 440 -24.427 -10.099 3.273 258 2HB SER 440 1HB SER 440 -23.640 -9.573 1.785 259 HG SER 440 HG SER 440 -24.388 -7.765 3.826 260 H THR 441 H THR 441 -24.200 -8.316 0.022 261 HA THR 441 HA THR 441 -24.885 -10.435 -1.725 262 HB THR 441 HB THR 441 -25.876 -8.630 -3.442 263 HG1 THR 441 1HG THR 441 -26.919 -7.791 -0.947 264 1HG2 THR 441 1HG2 THR 441 -28.044 -9.427 -1.707 265 2HG2 THR 441 2HG2 THR 441 -26.942 -10.759 -2.051 266 3HG2 THR 441 3HG2 THR 441 -27.703 -9.879 -3.376 267 H THR 442 H THR 442 -24.401 -7.016 -2.532 268 HA THR 442 HA THR 442 -22.008 -7.702 -4.020 269 HB THR 442 HB THR 442 -22.142 -5.011 -4.223 270 HG1 THR 442 1HG THR 442 -24.034 -4.255 -3.730 271 1HG2 THR 442 1HG2 THR 442 -22.447 -5.602 -6.325 272 2HG2 THR 442 2HG2 THR 442 -24.153 -5.886 -5.981 273 3HG2 THR 442 3HG2 THR 442 -22.991 -7.205 -5.829 274 H ASN 443 H ASN 443 -21.266 -8.378 -1.689 275 HA ASN 443 HA ASN 443 -20.524 -6.707 0.312 276 1HB ASN 443 2HB ASN 443 -19.211 -9.137 -0.845 277 2HB ASN 443 1HB ASN 443 -18.402 -8.248 0.441 278 1HD2 ASN 443 1HD2 ASN 443 -21.422 -9.861 -0.408 279 2HD2 ASN 443 2HD2 ASN 443 -21.837 -10.321 1.205 280 H ILE 444 H ILE 444 -19.051 -5.151 0.694 281 HA ILE 444 HA ILE 444 -17.215 -4.459 -1.506 282 HB ILE 444 HB ILE 444 -17.290 -2.123 -0.490 283 1HG1 ILE 444 2HG1 ILE 444 -19.955 -2.953 0.615 284 2HG1 ILE 444 1HG1 ILE 444 -18.504 -3.110 1.602 285 1HG2 ILE 444 1HG2 ILE 444 -18.351 -2.718 -2.610 286 2HG2 ILE 444 2HG2 ILE 444 -19.303 -1.526 -1.723 287 3HG2 ILE 444 3HG2 ILE 444 -19.803 -3.219 -1.744 288 1HD1 ILE 444 1HD1 ILE 444 -19.295 -1.045 2.221 289 2HD1 ILE 444 2HD1 ILE 444 -19.855 -0.653 0.594 290 3HD1 ILE 444 3HD1 ILE 444 -18.132 -0.620 0.965 291 H THR 445 H THR 445 -15.502 -5.702 -0.704 292 HA THR 445 HA THR 445 -14.094 -4.459 1.533 293 HB THR 445 HB THR 445 -13.452 -6.980 2.110 294 HG1 THR 445 1HG THR 445 -16.131 -7.207 1.221 295 1HG2 THR 445 1HG2 THR 445 -14.358 -5.561 3.790 296 2HG2 THR 445 2HG2 THR 445 -15.299 -7.053 3.771 297 3HG2 THR 445 3HG2 THR 445 -15.950 -5.589 3.034 298 H LYS 446 H LYS 446 -13.746 -4.402 -1.346 299 HA LYS 446 HA LYS 446 -11.187 -5.834 -1.614 300 1HB LYS 446 2HB LYS 446 -13.402 -5.325 -3.467 301 2HB LYS 446 1HB LYS 446 -11.818 -4.973 -4.146 302 1HG LYS 446 2HG LYS 446 -11.619 -7.452 -2.811 303 2HG LYS 446 1HG LYS 446 -13.095 -7.491 -3.776 304 1HD LYS 446 2HD LYS 446 -11.964 -7.536 -5.714 305 2HD LYS 446 1HD LYS 446 -10.798 -6.331 -5.169 306 1HE LYS 446 2HE LYS 446 -9.315 -7.993 -5.065 307 2HE LYS 446 1HE LYS 446 -10.197 -8.559 -3.648 308 1HZ LYS 446 1HZ LYS 446 -9.778 -10.045 -5.812 309 2HZ LYS 446 2HZ LYS 446 -11.278 -9.376 -6.216 310 3HZ LYS 446 3HZ LYS 446 -11.105 -10.259 -4.784 311 H LYS 447 H LYS 447 -12.808 -2.734 -2.077 312 HA LYS 447 HA LYS 447 -10.184 -1.478 -2.501 313 1HB LYS 447 2HB LYS 447 -12.089 -1.191 -4.205 314 2HB LYS 447 1HB LYS 447 -12.838 -0.149 -3.001 315 1HG LYS 447 2HG LYS 447 -11.722 1.474 -4.064 316 2HG LYS 447 1HG LYS 447 -10.354 0.917 -3.101 317 1HD LYS 447 2HD LYS 447 -10.937 -0.355 -5.748 318 2HD LYS 447 1HD LYS 447 -10.116 1.203 -5.690 319 1HE LYS 447 2HE LYS 447 -8.213 0.323 -4.792 320 2HE LYS 447 1HE LYS 447 -9.073 -0.953 -3.934 321 1HZ LYS 447 1HZ LYS 447 -9.154 -1.136 -6.823 322 2HZ LYS 447 2HZ LYS 447 -8.906 -2.345 -5.665 323 3HZ LYS 447 3HZ LYS 447 -7.623 -1.350 -6.135 324 H GLN 448 H GLN 448 -9.703 -1.537 -0.247 325 HA GLN 448 HA GLN 448 -11.294 0.311 1.399 326 1HB GLN 448 2HB GLN 448 -9.962 -2.202 1.959 327 2HB GLN 448 1HB GLN 448 -9.394 -0.940 3.042 328 1HG GLN 448 2HG GLN 448 -12.100 -0.557 3.077 329 2HG GLN 448 1HG GLN 448 -11.966 -2.308 2.935 330 1HE2 GLN 448 1HE2 GLN 448 -11.423 0.457 4.930 331 2HE2 GLN 448 2HE2 GLN 448 -11.002 -0.400 6.371 332 H LYS 449 H LYS 449 -10.354 2.160 0.400 333 HA LYS 449 HA LYS 449 -7.689 2.745 0.088 334 1HB LYS 449 2HB LYS 449 -8.366 5.143 0.340 335 2HB LYS 449 1HB LYS 449 -9.347 4.221 -0.792 336 1HG LYS 449 2HG LYS 449 -10.678 3.933 1.612 337 2HG LYS 449 1HG LYS 449 -10.114 5.605 1.638 338 1HD LYS 449 2HD LYS 449 -11.190 6.059 -0.462 339 2HD LYS 449 1HD LYS 449 -11.616 4.358 -0.661 340 1HE LYS 449 2HE LYS 449 -12.546 5.588 1.839 341 2HE LYS 449 1HE LYS 449 -13.260 6.257 0.375 342 1HZ LYS 449 1HZ LYS 449 -14.352 4.348 -0.074 343 2HZ LYS 449 2HZ LYS 449 -14.228 4.127 1.597 344 3HZ LYS 449 3HZ LYS 449 -13.139 3.353 0.561 345 H TRP 450 H TRP 450 -6.339 4.281 1.331 346 HA TRP 450 HA TRP 450 -6.020 3.348 4.017 347 1HB TRP 450 2HB TRP 450 -4.563 5.307 2.270 348 2HB TRP 450 1HB TRP 450 -4.192 5.202 3.987 349 HD1 TRP 450 HD TRP 450 -4.645 2.519 1.203 350 HE1 TRP 450 1HE TRP 450 -2.673 0.876 1.375 351 HE3 TRP 450 3HE TRP 450 -2.153 4.653 5.122 352 HZ2 TRP 450 2HZ TRP 450 -0.365 0.530 2.963 353 HZ3 TRP 450 3HZ TRP 450 -0.071 3.604 5.906 354 HH2 TRP 450 HH TRP 450 0.803 1.587 4.849 355 H THR 451 H THR 451 -5.572 4.985 5.800 356 HA THR 451 HA THR 451 -7.777 6.930 5.841 357 HB THR 451 HB THR 451 -6.864 6.649 8.453 358 HG1 THR 451 1HG THR 451 -7.070 4.066 7.323 359 1HG2 THR 451 1HG2 THR 451 -9.049 6.461 8.686 360 2HG2 THR 451 2HG2 THR 451 -8.927 4.785 8.154 361 3HG2 THR 451 3HG2 THR 451 -9.241 6.062 6.979 362 H VAL 452 H VAL 452 -7.249 8.743 7.565 363 HA VAL 452 HA VAL 452 -4.915 10.100 6.520 364 HB VAL 452 HB VAL 452 -5.699 12.058 7.734 365 1HG1 VAL 452 1HG1 VAL 452 -8.253 11.122 6.612 366 2HG1 VAL 452 2HG1 VAL 452 -6.850 10.959 5.555 367 3HG1 VAL 452 3HG1 VAL 452 -7.283 12.538 6.208 368 1HG2 VAL 452 1HG2 VAL 452 -8.226 10.859 8.628 369 2HG2 VAL 452 2HG2 VAL 452 -7.193 12.051 9.414 370 3HG2 VAL 452 3HG2 VAL 452 -6.801 10.337 9.527 371 H GLU 453 H GLU 453 -5.717 8.281 9.317 372 HA GLU 453 HA GLU 453 -3.710 9.492 11.008 373 1HB GLU 453 2HB GLU 453 -5.695 7.284 11.287 374 2HB GLU 453 1HB GLU 453 -4.305 7.289 12.363 375 1HG GLU 453 2HG GLU 453 -4.940 9.700 12.896 376 2HG GLU 453 1HG GLU 453 -6.476 9.337 12.109 377 H GLU 454 H GLU 454 -4.117 6.452 9.231 378 HA GLU 454 HA GLU 454 -1.628 5.347 10.023 379 1HB GLU 454 2HB GLU 454 -3.353 4.700 7.627 380 2HB GLU 454 1HB GLU 454 -2.019 3.716 8.216 381 1HG GLU 454 2HG GLU 454 -3.324 3.652 10.430 382 2HG GLU 454 1HG GLU 454 -4.692 4.201 9.463 383 H SER 455 H SER 455 -2.644 7.368 7.345 384 HA SER 455 HA SER 455 -0.216 7.085 5.862 385 1HB SER 455 2HB SER 455 -2.591 7.908 5.067 386 2HB SER 455 1HB SER 455 -1.972 9.491 5.541 387 HG SER 455 HG SER 455 -0.095 8.897 4.178 388 H GLU 456 H GLU 456 -1.267 9.126 8.466 389 HA GLU 456 HA GLU 456 0.733 11.139 8.117 390 1HB GLU 456 2HB GLU 456 -1.423 11.477 9.355 391 2HB GLU 456 1HB GLU 456 -0.785 10.460 10.639 392 1HG GLU 456 2HG GLU 456 1.213 12.282 10.344 393 2HG GLU 456 1HG GLU 456 -0.215 13.251 9.983 394 H TRP 457 H TRP 457 0.458 8.180 10.001 395 HA TRP 457 HA TRP 457 2.800 8.533 11.548 396 1HB TRP 457 2HB TRP 457 1.565 5.901 10.721 397 2HB TRP 457 1HB TRP 457 2.565 6.212 12.136 398 HD1 TRP 457 HD TRP 457 0.896 8.980 12.863 399 HE1 TRP 457 1HE TRP 457 -1.376 8.696 14.043 400 HE3 TRP 457 3HE TRP 457 -0.064 4.115 11.615 401 HZ2 TRP 457 2HZ TRP 457 -3.318 6.678 14.394 402 HZ3 TRP 457 3HZ TRP 457 -2.155 3.088 12.408 403 HH2 TRP 457 HH TRP 457 -3.743 4.342 13.769 404 H VAL 458 H VAL 458 2.202 7.180 8.369 405 HA VAL 458 HA VAL 458 4.732 5.959 8.015 406 HB VAL 458 HB VAL 458 2.879 7.027 5.879 407 1HG1 VAL 458 1HG1 VAL 458 4.096 4.902 4.768 408 2HG1 VAL 458 2HG1 VAL 458 5.387 5.475 5.823 409 3HG1 VAL 458 3HG1 VAL 458 4.690 6.556 4.616 410 1HG2 VAL 458 1HG2 VAL 458 1.463 5.459 6.594 411 2HG2 VAL 458 2HG2 VAL 458 2.669 4.744 7.664 412 3HG2 VAL 458 3HG2 VAL 458 2.612 4.281 5.965 413 H LYS 459 H LYS 459 3.483 9.172 7.210 414 HA LYS 459 HA LYS 459 5.642 10.131 5.740 415 1HB LYS 459 2HB LYS 459 3.614 11.490 7.494 416 2HB LYS 459 1HB LYS 459 4.877 12.408 6.684 417 1HG LYS 459 2HG LYS 459 3.546 10.622 4.848 418 2HG LYS 459 1HG LYS 459 2.397 11.687 5.658 419 1HD LYS 459 2HD LYS 459 4.549 13.330 4.984 420 2HD LYS 459 1HD LYS 459 4.321 12.283 3.583 421 1HE LYS 459 2HE LYS 459 2.529 13.439 2.962 422 2HE LYS 459 1HE LYS 459 1.771 13.169 4.530 423 1HZ LYS 459 1HZ LYS 459 1.926 15.473 4.325 424 2HZ LYS 459 2HZ LYS 459 3.494 15.420 3.690 425 3HZ LYS 459 3HZ LYS 459 3.232 15.072 5.324 426 H ALA 460 H ALA 460 5.079 10.252 9.244 427 HA ALA 460 HA ALA 460 7.610 11.531 9.748 428 1HB ALA 460 1HB ALA 460 5.601 11.912 11.161 429 2HB ALA 460 2HB ALA 460 7.026 11.418 12.072 430 3HB ALA 460 3HB ALA 460 5.745 10.253 11.740 431 H GLY 461 H GLY 461 6.380 8.274 9.671 432 1HA GLY 461 2HA GLY 461 8.356 6.993 11.205 433 2HA GLY 461 1HA GLY 461 7.405 6.238 9.936 434 H VAL 462 H VAL 462 8.240 7.680 7.721 435 HA VAL 462 HA VAL 462 10.853 6.508 7.312 436 HB VAL 462 HB VAL 462 9.241 8.130 5.342 437 1HG1 VAL 462 1HG1 VAL 462 11.251 5.962 4.789 438 2HG1 VAL 462 2HG1 VAL 462 11.698 7.665 4.921 439 3HG1 VAL 462 3HG1 VAL 462 10.575 7.141 3.664 440 1HG2 VAL 462 1HG2 VAL 462 8.840 5.569 4.583 441 2HG2 VAL 462 2HG2 VAL 462 7.719 6.485 5.590 442 3HG2 VAL 462 3HG2 VAL 462 8.875 5.383 6.336 443 H GLN 463 H GLU 463 9.495 9.664 7.839 444 HA GLN 463 HA GLU 463 11.765 11.126 6.876 445 1HB GLN 463 2HB GLU 463 9.430 12.043 7.014 446 2HB GLN 463 1HB GLU 463 9.613 12.095 8.764 447 1HG GLN 463 2HG GLU 463 10.280 14.194 8.390 448 2HG GLN 463 1HG GLU 463 11.824 13.437 7.994 449 H LYS 464 H LYS 464 10.988 9.508 9.811 450 HA LYS 464 HA LYS 464 13.124 10.931 11.238 451 1HB LYS 464 2HB LYS 464 10.805 9.263 12.182 452 2HB LYS 464 1HB LYS 464 12.158 9.645 13.240 453 1HG LYS 464 2HG LYS 464 11.599 12.108 12.399 454 2HG LYS 464 1HG LYS 464 10.001 11.385 12.207 455 1HD LYS 464 2HD LYS 464 10.729 10.466 14.670 456 2HD LYS 464 1HD LYS 464 11.493 12.058 14.643 457 1HE LYS 464 2HE LYS 464 9.066 12.680 13.653 458 2HE LYS 464 1HE LYS 464 8.637 11.319 14.689 459 1HZ LYS 464 1HZ LYS 464 9.696 13.950 15.417 460 2HZ LYS 464 2HZ LYS 464 10.127 12.630 16.382 461 3HZ LYS 464 3HZ LYS 464 8.495 13.024 16.169 462 H TYR 465 H TYR 465 11.933 7.634 10.614 463 HA TYR 465 HA TYR 465 14.455 6.512 11.525 464 1HB TYR 465 2HB TYR 465 11.932 5.213 10.483 465 2HB TYR 465 1HB TYR 465 13.350 4.324 11.026 466 HD1 TYR 465 1HD TYR 465 14.059 4.526 13.434 467 HD2 TYR 465 2HD TYR 465 10.334 6.020 12.023 468 HE1 TYR 465 1HE TYR 465 13.214 4.580 15.743 469 HE2 TYR 465 2HE TYR 465 9.479 6.080 14.329 470 HH TYR 465 HH TYR 465 10.801 6.273 16.779 471 H GLY 466 H GLY 466 12.591 6.765 8.517 472 1HA GLY 466 2HA GLY 466 13.990 7.253 6.517 473 2HA GLY 466 1HA GLY 466 15.035 5.953 7.065 474 H GLU 467 H GLU 467 14.469 5.447 4.680 475 HA GLU 467 HA GLU 467 11.903 4.108 4.378 476 1HB GLU 467 2HB GLU 467 13.382 5.530 2.620 477 2HB GLU 467 1HB GLU 467 13.937 3.907 2.237 478 1HG GLU 467 2HG GLU 467 11.356 3.396 2.199 479 2HG GLU 467 1HG GLU 467 11.254 5.127 1.889 480 H GLY 468 H GLY 468 11.667 1.903 3.879 481 1HA GLY 468 2HA GLY 468 12.387 -0.318 3.636 482 2HA GLY 468 1HA GLY 468 14.013 0.183 4.077 483 H ASN 469 H ASN 469 12.485 1.655 6.403 484 HA ASN 469 HA ASN 469 12.594 -0.672 8.189 485 1HB ASN 469 2HB ASN 469 13.435 2.107 8.431 486 2HB ASN 469 1HB ASN 469 12.426 1.608 9.784 487 1HD2 ASN 469 1HD2 ASN 469 13.281 0.376 11.336 488 2HD2 ASN 469 2HD2 ASN 469 14.876 -0.287 11.304 489 H TRP 470 H TRP 470 10.415 -1.203 7.294 490 HA TRP 470 HA TRP 470 8.224 0.464 8.214 491 1HB TRP 470 2HB TRP 470 7.930 -2.264 6.981 492 2HB TRP 470 1HB TRP 470 6.803 -0.914 6.940 493 HD1 TRP 470 HD TRP 470 9.164 -2.637 4.784 494 HE1 TRP 470 1HE TRP 470 9.841 -1.181 2.771 495 HE3 TRP 470 3HE TRP 470 7.449 1.887 6.436 496 HZ2 TRP 470 2HZ TRP 470 9.671 1.524 1.987 497 HZ3 TRP 470 3HZ TRP 470 7.745 3.858 4.993 498 HH2 TRP 470 HH TRP 470 8.834 3.680 2.816 499 H ALA 471 H ALA 471 9.793 -2.544 9.051 500 HA ALA 471 HA ALA 471 7.945 -3.739 10.707 501 1HB ALA 471 1HB ALA 471 10.940 -3.632 11.046 502 2HB ALA 471 2HB ALA 471 10.016 -4.838 10.149 503 3HB ALA 471 3HB ALA 471 9.868 -4.739 11.903 504 H ALA 472 H ALA 472 10.467 -1.429 11.735 505 HA ALA 472 HA ALA 472 9.632 -1.246 14.409 506 1HB ALA 472 1HB ALA 472 11.088 0.826 12.763 507 2HB ALA 472 2HB ALA 472 11.833 -0.488 13.676 508 3HB ALA 472 3HB ALA 472 10.971 0.796 14.522 509 H ILE 473 H ILE 473 8.746 0.681 11.568 510 HA ILE 473 HA ILE 473 7.264 2.667 12.836 511 HB ILE 473 HB ILE 473 6.771 1.421 10.125 512 1HG1 ILE 473 2HG1 ILE 473 8.258 3.952 10.843 513 2HG1 ILE 473 1HG1 ILE 473 9.043 2.409 10.531 514 1HG2 ILE 473 1HG2 ILE 473 5.574 3.457 9.566 515 2HG2 ILE 473 2HG2 ILE 473 5.841 4.085 11.191 516 3HG2 ILE 473 3HG2 ILE 473 4.819 2.667 10.950 517 1HD1 ILE 473 1HD1 ILE 473 7.430 4.050 8.597 518 2HD1 ILE 473 2HD1 ILE 473 8.039 2.429 8.261 519 3HD1 ILE 473 3HD1 ILE 473 9.168 3.750 8.562 520 H SER 474 H SER 474 6.262 -0.553 11.747 521 HA SER 474 HA SER 474 3.550 -0.154 12.671 522 1HB SER 474 2HB SER 474 4.291 -1.588 10.660 523 2HB SER 474 1HB SER 474 4.738 -2.801 11.858 524 HG SER 474 HG SER 474 2.665 -3.077 12.386 525 H LYS 475 H LYS 475 6.409 -0.811 14.207 526 HA LYS 475 HA LYS 475 5.224 -2.603 16.195 527 1HB LYS 475 2HB LYS 475 7.732 -2.532 15.063 528 2HB LYS 475 1HB LYS 475 7.997 -1.761 16.619 529 1HG LYS 475 2HG LYS 475 6.392 -4.124 16.931 530 2HG LYS 475 1HG LYS 475 7.884 -4.494 16.067 531 1HD LYS 475 2HD LYS 475 8.760 -2.851 18.081 532 2HD LYS 475 1HD LYS 475 7.463 -3.754 18.866 533 1HE LYS 475 2HE LYS 475 8.534 -5.851 17.972 534 2HE LYS 475 1HE LYS 475 9.903 -4.852 17.485 535 1HZ LYS 475 1HZ LYS 475 10.364 -5.821 19.603 536 2HZ LYS 475 2HZ LYS 475 8.902 -5.266 20.248 537 3HZ LYS 475 3HZ LYS 475 10.116 -4.163 19.833 538 H ASN 476 H ASN 476 5.860 0.708 15.699 539 HA ASN 476 HA ASN 476 5.665 1.222 18.593 540 1HB ASN 476 2HB ASN 476 7.665 2.055 16.983 541 2HB ASN 476 1HB ASN 476 6.555 3.411 16.812 542 1HD2 ASN 476 1HD2 ASN 476 5.857 4.490 18.755 543 2HD2 ASN 476 2HD2 ASN 476 6.905 4.533 20.128 544 H TYR 477 H TYR 477 4.305 1.903 15.453 545 HA TYR 477 HA TYR 477 2.528 3.940 16.528 546 1HB TYR 477 2HB TYR 477 3.070 2.877 13.779 547 2HB TYR 477 1HB TYR 477 1.592 3.776 14.094 548 HD1 TYR 477 1HD TYR 477 1.764 6.132 14.965 549 HD2 TYR 477 2HD TYR 477 5.138 3.990 13.509 550 HE1 TYR 477 1HE TYR 477 2.986 8.249 14.702 551 HE2 TYR 477 2HE TYR 477 6.369 6.101 13.242 552 HH TYR 477 HH TYR 477 4.851 9.156 13.452 553 HA PRO 478 HA PRO 478 -0.991 1.391 17.188 554 1HB PRO 478 2HB PRO 478 -2.832 3.252 15.920 555 2HB PRO 478 1HB PRO 478 -2.578 2.939 17.638 556 1HG PRO 478 2HG PRO 478 -1.875 5.272 16.433 557 2HG PRO 478 1HG PRO 478 -1.032 4.617 17.848 558 1HD PRO 478 2HD PRO 478 -0.258 4.502 14.955 559 2HD PRO 478 1HD PRO 478 0.757 4.812 16.381 560 H PHE 479 H PHE 479 0.227 0.388 14.962 561 HA PHE 479 HA PHE 479 -1.700 0.236 12.801 562 1HB PHE 479 2HB PHE 479 1.080 -0.791 13.235 563 2HB PHE 479 1HB PHE 479 0.081 -1.504 11.974 564 HD1 PHE 479 1HD PHE 479 -0.649 -0.162 10.062 565 HD2 PHE 479 2HD PHE 479 1.971 1.413 13.020 566 HE1 PHE 479 1HE PHE 479 -0.043 1.676 8.540 567 HE2 PHE 479 2HE PHE 479 2.583 3.254 11.506 568 HZ PHE 479 HZ PHE 479 1.575 3.386 9.263 569 H VAL 480 H VAL 480 -2.747 -1.685 12.133 570 HA VAL 480 HA VAL 480 -2.803 -3.832 14.149 571 HB VAL 480 HB VAL 480 -5.226 -2.864 12.632 572 1HG1 VAL 480 1HG1 VAL 480 -4.781 -5.278 13.825 573 2HG1 VAL 480 2HG1 VAL 480 -6.367 -4.553 13.564 574 3HG1 VAL 480 3HG1 VAL 480 -5.557 -4.367 15.121 575 1HG2 VAL 480 1HG2 VAL 480 -5.750 -2.250 15.211 576 2HG2 VAL 480 2HG2 VAL 480 -5.104 -1.104 14.035 577 3HG2 VAL 480 3HG2 VAL 480 -4.016 -1.932 15.148 578 H ASN 481 H ASN 481 -4.290 -3.258 10.956 579 HA ASN 481 HA ASN 481 -3.185 -5.852 10.097 580 1HB ASN 481 2HB ASN 481 -5.844 -4.631 9.807 581 2HB ASN 481 1HB ASN 481 -5.210 -5.331 8.322 582 1HD2 ASN 481 1HD2 ASN 481 -5.334 -7.456 8.047 583 2HD2 ASN 481 2HD2 ASN 481 -5.813 -8.592 9.257 584 H ARG 482 H ARG 482 -1.368 -4.034 9.808 585 HA ARG 482 HA ARG 482 -1.367 -3.452 6.939 586 1HB ARG 482 2HB ARG 482 -1.657 -1.470 8.915 587 2HB ARG 482 1HB ARG 482 0.005 -1.349 8.359 588 1HG ARG 482 2HG ARG 482 -1.308 0.124 7.038 589 2HG ARG 482 1HG ARG 482 -0.866 -1.249 6.022 590 1HD ARG 482 2HD ARG 482 -3.194 -0.668 5.678 591 2HD ARG 482 1HD ARG 482 -3.068 -2.252 6.443 592 HE ARG 482 HE ARG 482 -3.411 -0.077 8.297 593 1HH1 ARG 482 1HH1 ARG 482 -5.040 -2.399 6.262 594 2HH1 ARG 482 2HH1 ARG 482 -6.507 -2.358 7.177 595 1HH2 ARG 482 1HH2 ARG 482 -5.342 -0.022 9.503 596 2HH2 ARG 482 2HH2 ARG 482 -6.681 -1.009 9.016 597 H THR 483 H THR 483 0.056 -5.186 6.669 598 HA THR 483 HA THR 483 2.451 -5.485 8.167 599 HB THR 483 HB THR 483 3.019 -6.871 5.950 600 HG1 THR 483 1HG THR 483 1.415 -6.954 4.629 601 1HG2 THR 483 1HG2 THR 483 2.335 -8.756 7.014 602 2HG2 THR 483 2HG2 THR 483 0.806 -8.045 7.534 603 3HG2 THR 483 3HG2 THR 483 2.303 -7.628 8.370 604 H ALA 484 H ALA 484 4.624 -5.571 6.956 605 HA ALA 484 HA ALA 484 5.295 -2.940 6.184 606 1HB ALA 484 1HB ALA 484 6.901 -4.447 7.254 607 2HB ALA 484 2HB ALA 484 7.523 -3.814 5.731 608 3HB ALA 484 3HB ALA 484 6.907 -5.464 5.814 609 H VAL 485 H VAL 485 4.188 -5.667 4.380 610 HA VAL 485 HA VAL 485 5.237 -4.913 1.843 611 HB VAL 485 HB VAL 485 2.805 -6.613 2.425 612 1HG1 VAL 485 1HG1 VAL 485 3.161 -7.547 0.220 613 2HG1 VAL 485 2HG1 VAL 485 4.575 -6.518 -0.017 614 3HG1 VAL 485 3HG1 VAL 485 2.970 -5.798 0.105 615 1HG2 VAL 485 1HG2 VAL 485 5.672 -7.122 2.719 616 2HG2 VAL 485 2HG2 VAL 485 4.825 -8.326 1.745 617 3HG2 VAL 485 3HG2 VAL 485 4.289 -7.988 3.391 618 H MET 486 H MET 486 2.268 -4.191 3.587 619 HA MET 486 HA MET 486 0.955 -2.937 1.384 620 1HB MET 486 2HB MET 486 0.468 -2.985 4.353 621 2HB MET 486 1HB MET 486 -0.491 -1.965 3.288 622 1HG MET 486 2HG MET 486 -0.208 -4.850 2.627 623 2HG MET 486 1HG MET 486 -1.277 -4.379 3.948 624 1HE MET 486 1HE MET 486 -3.872 -4.230 3.311 625 2HE MET 486 2HE MET 486 -3.064 -5.654 2.653 626 3HE MET 486 3HE MET 486 -4.197 -4.741 1.656 627 H ILE 487 H ILE 487 2.849 -1.774 4.135 628 HA ILE 487 HA ILE 487 2.482 0.988 3.610 629 HB ILE 487 HB ILE 487 4.804 -0.300 5.047 630 1HG1 ILE 487 2HG1 ILE 487 2.437 0.833 6.472 631 2HG1 ILE 487 1HG1 ILE 487 2.298 -0.778 5.771 632 1HG2 ILE 487 1HG2 ILE 487 5.492 1.850 4.936 633 2HG2 ILE 487 2HG2 ILE 487 4.395 2.031 6.305 634 3HG2 ILE 487 3HG2 ILE 487 3.863 2.472 4.681 635 1HD1 ILE 487 1HD1 ILE 487 4.358 -1.400 7.053 636 2HD1 ILE 487 2HD1 ILE 487 2.936 -1.038 8.033 637 3HD1 ILE 487 3HD1 ILE 487 4.227 0.153 7.876 638 H LYS 488 H LYS 488 4.722 -1.409 2.411 639 HA LYS 488 HA LYS 488 6.637 0.377 1.332 640 1HB LYS 488 2HB LYS 488 6.535 -2.314 1.682 641 2HB LYS 488 1HB LYS 488 6.247 -2.202 -0.048 642 1HG LYS 488 2HG LYS 488 8.526 -0.717 1.180 643 2HG LYS 488 1HG LYS 488 8.666 -2.445 0.841 644 1HD LYS 488 2HD LYS 488 7.820 -0.411 -1.216 645 2HD LYS 488 1HD LYS 488 9.495 -0.913 -0.979 646 1HE LYS 488 2HE LYS 488 9.175 -2.899 -1.984 647 2HE LYS 488 1HE LYS 488 7.582 -3.121 -1.258 648 1HZ LYS 488 1HZ LYS 488 7.052 -1.164 -2.959 649 2HZ LYS 488 2HZ LYS 488 6.932 -2.799 -3.379 650 3HZ LYS 488 3HZ LYS 488 8.310 -1.915 -3.804 651 H ASP 489 H ASP 489 3.722 -1.127 0.024 652 HA ASP 489 HA ASP 489 4.087 -0.224 -2.641 653 1HB ASP 489 2HB ASP 489 1.906 -1.474 -1.076 654 2HB ASP 489 1HB ASP 489 1.407 -0.544 -2.485 655 H ARG 490 H ARG 490 2.677 1.198 0.220 656 HA ARG 490 HA ARG 490 1.226 3.273 -1.021 657 1HB ARG 490 2HB ARG 490 1.464 2.393 1.528 658 2HB ARG 490 1HB ARG 490 2.450 3.846 1.610 659 1HG ARG 490 2HG ARG 490 -0.012 4.392 0.234 660 2HG ARG 490 1HG ARG 490 -0.330 3.652 1.804 661 1HD ARG 490 2HD ARG 490 1.370 5.355 2.715 662 2HD ARG 490 1HD ARG 490 1.136 6.195 1.182 663 HE ARG 490 HE ARG 490 -0.645 6.160 3.400 664 1HH1 ARG 490 1HH1 ARG 490 -0.545 6.288 -0.087 665 2HH1 ARG 490 2HH1 ARG 490 -2.070 7.097 -0.226 666 1HH2 ARG 490 1HH2 ARG 490 -2.653 7.224 3.217 667 2HH2 ARG 490 2HH2 ARG 490 -3.266 7.628 1.649 668 H TRP 491 H TRP 491 4.500 3.230 0.377 669 HA TRP 491 HA TRP 491 5.121 5.902 -0.291 670 1HB TRP 491 2HB TRP 491 6.302 4.173 1.318 671 2HB TRP 491 1HB TRP 491 7.269 3.833 -0.115 672 HD1 TRP 491 HD TRP 491 9.344 5.304 -0.383 673 HE1 TRP 491 1HE TRP 491 10.135 7.569 0.550 674 HE3 TRP 491 3HE TRP 491 5.139 6.629 2.202 675 HZ2 TRP 491 2HZ TRP 491 9.107 9.644 2.164 676 HZ3 TRP 491 3HZ TRP 491 5.123 8.770 3.413 677 HH2 TRP 491 HH TRP 491 7.069 10.245 3.395 678 H ARG 492 H ARG 492 5.541 2.852 -1.995 679 HA ARG 492 HA ARG 492 7.152 3.858 -4.091 680 1HB ARG 492 2HB ARG 492 5.869 1.364 -3.400 681 2HB ARG 492 1HB ARG 492 5.674 1.701 -5.115 682 1HG ARG 492 2HG ARG 492 8.381 2.167 -4.133 683 2HG ARG 492 1HG ARG 492 7.838 0.498 -3.963 684 1HD ARG 492 2HD ARG 492 7.332 1.886 -6.543 685 2HD ARG 492 1HD ARG 492 8.981 1.381 -6.182 686 HE ARG 492 HE ARG 492 7.024 -0.687 -5.790 687 1HH1 ARG 492 1HH1 ARG 492 9.116 0.873 -8.108 688 2HH1 ARG 492 2HH1 ARG 492 9.182 -0.502 -9.161 689 1HH2 ARG 492 1HH2 ARG 492 7.110 -2.494 -7.173 690 2HH2 ARG 492 2HH2 ARG 492 8.044 -2.412 -8.630 691 H THR 493 H THR 493 3.714 3.824 -3.524 692 HA THR 493 HA THR 493 3.069 4.569 -6.248 693 HB THR 493 HB THR 493 1.312 4.426 -3.790 694 HG1 THR 493 1HG THR 493 1.497 2.374 -4.125 695 1HG2 THR 493 1HG2 THR 493 0.236 4.152 -6.537 696 2HG2 THR 493 2HG2 THR 493 0.592 5.773 -5.939 697 3HG2 THR 493 3HG2 THR 493 -0.538 4.740 -5.065 698 H MET 494 H MET 494 3.566 6.121 -3.165 699 HA MET 494 HA MET 494 2.365 8.612 -3.889 700 1HB MET 494 2HB MET 494 3.211 7.481 -1.531 701 2HB MET 494 1HB MET 494 4.433 8.712 -1.812 702 1HG MET 494 2HG MET 494 3.020 10.400 -1.398 703 2HG MET 494 1HG MET 494 1.670 9.607 -2.208 704 1HE MET 494 1HE MET 494 2.069 10.945 1.490 705 2HE MET 494 2HE MET 494 3.561 10.504 0.659 706 3HE MET 494 3HE MET 494 3.020 9.573 2.055 707 H LYS 495 H LYS 495 5.591 7.252 -4.083 708 HA LYS 495 HA LYS 495 6.764 9.773 -4.898 709 1HB LYS 495 2HB LYS 495 7.806 7.649 -3.603 710 2HB LYS 495 1HB LYS 495 8.278 7.248 -5.250 711 1HG LYS 495 2HG LYS 495 9.777 8.930 -5.376 712 2HG LYS 495 1HG LYS 495 8.808 10.018 -4.379 713 1HD LYS 495 2HD LYS 495 9.436 8.265 -2.498 714 2HD LYS 495 1HD LYS 495 10.803 7.964 -3.572 715 1HE LYS 495 2HE LYS 495 10.539 10.756 -3.397 716 2HE LYS 495 1HE LYS 495 10.358 10.141 -1.754 717 1HZ LYS 495 1HZ LYS 495 12.672 10.621 -2.316 718 2HZ LYS 495 2HZ LYS 495 12.611 9.495 -3.578 719 3HZ LYS 495 3HZ LYS 495 12.445 8.979 -1.976 720 H ARG 496 H ARG 496 6.360 6.554 -6.387 721 HA ARG 496 HA ARG 496 7.223 7.265 -8.947 722 1HB ARG 496 2HB ARG 496 5.249 5.148 -8.079 723 2HB ARG 496 1HB ARG 496 5.892 5.279 -9.709 724 1HG ARG 496 2HG ARG 496 7.762 5.076 -7.393 725 2HG ARG 496 1HG ARG 496 6.963 3.630 -8.015 726 1HD ARG 496 2HD ARG 496 7.984 5.136 -10.211 727 2HD ARG 496 1HD ARG 496 9.266 4.934 -9.017 728 HE ARG 496 HE ARG 496 7.884 2.493 -9.532 729 1HH1 ARG 496 1HH1 ARG 496 10.348 4.629 -10.768 730 2HH1 ARG 496 2HH1 ARG 496 11.181 3.378 -11.629 731 1HH2 ARG 496 1HH2 ARG 496 8.975 0.844 -10.663 732 2HH2 ARG 496 2HH2 ARG 496 10.401 1.228 -11.569 733 H LEU 497 H LEU 497 4.148 7.714 -7.359 734 HA LEU 497 HA LEU 497 3.197 9.157 -9.738 735 1HB LEU 497 2HB LEU 497 2.021 6.852 -8.476 736 2HB LEU 497 1HB LEU 497 0.928 8.218 -8.353 737 HG LEU 497 HG LEU 497 1.762 8.287 -11.000 738 1HD1 LEU 497 1HD1 LEU 497 0.941 5.791 -11.496 739 2HD1 LEU 497 2HD1 LEU 497 1.778 5.519 -9.968 740 3HD1 LEU 497 3HD1 LEU 497 2.642 6.230 -11.330 741 1HD2 LEU 497 1HD2 LEU 497 -0.560 8.400 -9.671 742 2HD2 LEU 497 2HD2 LEU 497 -0.705 6.790 -10.375 743 3HD2 LEU 497 3HD2 LEU 497 -0.459 8.190 -11.418 744 H GLY 498 H GLY 498 4.162 10.961 -8.518 745 1HA GLY 498 2HA GLY 498 2.382 12.697 -7.446 746 2HA GLY 498 1HA GLY 498 2.896 11.762 -6.049 747 H MET 499 H MET 499 5.382 11.535 -5.918 748 HA MET 499 HA MET 499 6.438 14.214 -5.859 749 1HB MET 499 2HB MET 499 7.615 11.551 -5.058 750 2HB MET 499 1HB MET 499 8.456 13.083 -4.870 751 1HG MET 499 2HG MET 499 6.022 13.549 -3.673 752 2HG MET 499 1HG MET 499 6.380 11.881 -3.237 753 1HE MET 499 1HE MET 499 7.479 13.082 0.027 754 2HE MET 499 2HE MET 499 6.109 12.628 -0.987 755 3HE MET 499 3HE MET 499 6.456 14.329 -0.685 756 H ASN 500 H ASN 500 6.244 11.933 -8.245 757 HA ASN 500 HA ASN 500 8.823 12.668 -9.443 758 1HB ASN 500 2HB ASN 500 7.394 10.225 -9.345 759 2HB ASN 500 1HB ASN 500 7.366 10.756 -11.022 760 1HD2 ASN 500 1HD2 ASN 500 9.129 10.494 -12.231 761 2HD2 ASN 500 2HD2 ASN 500 10.659 9.940 -11.647 Start of MODEL 4 1 2H5* G 1 H5' GUA 1 8.355 -14.893 10.863 2 H4* G 1 H4' GUA 1 10.102 -13.084 11.310 3 H3* G 1 H3' GUA 1 7.753 -12.829 10.050 4 H1* G 1 H1' GUA 1 11.002 -11.716 8.188 5 H8 G 1 8H GUA 1 9.404 -14.961 6.855 6 H1 G 1 1H GUA 1 14.822 -13.124 3.955 7 1H2 G 1 1H2 GUA 1 14.924 -10.645 6.365 8 2H2 G 1 2H2 GUA 1 15.675 -11.377 4.966 9 2H2* G 1 H2' GUA 1 8.660 -11.581 7.822 10 H5T G 1 H5T GUA 1 9.879 -16.374 9.330 11 2H5* T 2 H5' THY 2 10.573 -8.679 10.352 12 H4* T 2 H4' THY 2 12.052 -7.643 8.990 13 H3* T 2 H3' THY 2 9.579 -6.644 8.598 14 2H2* T 2 H2' THY 2 9.714 -6.497 5.896 15 H1* T 2 H1' THY 2 11.801 -7.606 5.560 16 H3 T 2 3H THY 2 11.316 -10.630 2.328 17 1H5M T 2 1H7 THY 2 8.529 -12.905 5.865 18 2H5M T 2 2H7 THY 2 7.669 -12.572 4.344 19 3H5M T 2 3H7 THY 2 7.364 -11.565 5.778 20 H6 T 2 6H THY 2 9.153 -10.014 6.535 21 2H5* T 3 H5' THY 3 13.332 -4.279 6.021 22 H4* T 3 H4' THY 3 14.276 -4.503 3.953 23 H3* T 3 H3' THY 3 12.208 -2.779 3.954 24 2H2* T 3 H2' THY 3 11.085 -3.589 1.631 25 H1* T 3 H1' THY 3 12.482 -5.477 1.183 26 H3 T 3 3H THY 3 10.069 -9.091 0.184 27 1H5M T 3 1H7 THY 3 8.145 -7.093 4.817 28 2H5M T 3 2H7 THY 3 7.938 -8.811 4.408 29 3H5M T 3 3H7 THY 3 6.975 -7.574 3.566 30 H6 T 3 6H THY 3 9.943 -6.011 3.823 31 2H5* A 4 H5' ADE 4 14.718 -2.598 -0.728 32 H4* A 4 H4' ADE 4 14.520 -3.796 -2.691 33 H3* A 4 H3' ADE 4 12.874 -1.662 -2.510 34 H1* A 4 H1' ADE 4 11.560 -5.071 -3.780 35 H8 A 4 8H ADE 4 10.333 -4.257 -0.185 36 1H6 A 4 1H6 ADE 4 7.227 -7.972 0.233 37 2H6 A 4 2H6 ADE 4 6.811 -9.311 -0.813 38 H2 A 4 2H ADE 4 9.306 -8.885 -4.515 39 2H2* A 4 H2' ADE 4 10.699 -2.841 -3.605 40 2H5* G 5 H5' GUA 5 13.238 -3.770 -7.091 41 H4* G 5 H4' GUA 5 12.120 -5.228 -8.385 42 H3* G 5 H3' GUA 5 10.982 -2.805 -8.667 43 H1* G 5 H1' GUA 5 8.761 -5.926 -8.054 44 H8 G 5 8H GUA 5 9.147 -3.691 -4.910 45 H1 G 5 1H GUA 5 4.924 -8.498 -4.464 46 1H2 G 5 1H2 GUA 5 5.963 -9.309 -7.663 47 2H2 G 5 2H2 GUA 5 4.924 -9.688 -6.306 48 2H2* G 5 H2' GUA 5 8.405 -3.623 -8.582 49 2H5* G 6 H5' GUA 6 9.114 -6.372 -11.681 50 H4* G 6 H4' GUA 6 7.310 -7.725 -11.853 51 H3* G 6 H3' GUA 6 6.747 -5.291 -12.874 52 H1* G 6 H1' GUA 6 4.253 -7.063 -10.508 53 H8 G 6 8H GUA 6 6.057 -4.080 -8.821 54 H1 G 6 1H GUA 6 1.496 -6.954 -5.347 55 1H2 G 6 1H2 GUA 6 1.263 -9.147 -8.014 56 2H2 G 6 2H2 GUA 6 0.689 -8.682 -6.427 57 2H2* G 6 H2' GUA 6 4.248 -5.082 -11.859 58 2H5* G 7 H5' GUA 7 3.351 -8.903 -13.989 59 H4* G 7 H4' GUA 7 1.368 -9.669 -13.222 60 H3* G 7 H3' GUA 7 0.950 -7.641 -14.930 61 H1* G 7 H1' GUA 7 -0.878 -7.627 -11.485 62 H8 G 7 8H GUA 7 2.180 -5.244 -11.654 63 H1 G 7 1H GUA 7 -1.501 -4.769 -6.422 64 1H2 G 7 1H2 GUA 7 -3.308 -7.367 -7.818 65 2H2 G 7 2H2 GUA 7 -3.117 -6.247 -6.486 66 2H2* G 7 H2' GUA 7 -0.943 -6.344 -13.490 67 2H5* T 8 H5' THY 8 -3.163 -9.929 -13.231 68 H4* T 8 H4' THY 8 -4.773 -9.652 -11.661 69 H3* T 8 H3' THY 8 -5.470 -8.437 -13.965 70 2H2* T 8 H2' THY 8 -6.487 -6.186 -12.860 71 H1* T 8 H1' THY 8 -5.885 -6.594 -10.583 72 H3 T 8 3H THY 8 -4.091 -2.868 -8.938 73 1H5M T 8 1H7 THY 8 -0.369 -4.259 -12.133 74 2H5M T 8 2H7 THY 8 -1.460 -3.757 -13.446 75 3H5M T 8 3H7 THY 8 -0.927 -2.573 -12.230 76 H6 T 8 6H THY 8 -2.894 -5.694 -12.589 77 2H5* T 9 H5' THY 9 -9.147 -8.800 -10.486 78 H4* T 9 H4' THY 9 -10.039 -7.519 -8.870 79 H3* T 9 H3' THY 9 -11.218 -6.902 -11.219 80 2H2* T 9 H2' THY 9 -11.270 -4.220 -10.861 81 H1* T 9 H1' THY 9 -10.009 -4.111 -8.826 82 H3 T 9 3H THY 9 -6.895 -0.941 -9.140 83 1H5M T 9 1H7 THY 9 -4.838 -3.460 -12.641 84 2H5M T 9 2H7 THY 9 -6.256 -4.264 -13.354 85 3H5M T 9 3H7 THY 9 -6.020 -2.514 -13.579 86 H6 T 9 6H THY 9 -7.916 -4.756 -11.817 87 2H5* A 10 H5' ADE 10 -13.671 -4.620 -7.229 88 H4* A 10 H4' ADE 10 -13.431 -2.549 -6.272 89 H3* A 10 H3' ADE 10 -15.230 -2.600 -8.302 90 H1* A 10 H1' ADE 10 -12.646 0.252 -7.965 91 H8 A 10 8H ADE 10 -11.932 -2.054 -10.997 92 1H6 A 10 1H6 ADE 10 -8.200 0.477 -12.811 93 2H6 A 10 2H6 ADE 10 -7.338 1.899 -12.267 94 H2 A 10 2H ADE 10 -9.239 3.168 -8.411 95 2H2* A 10 H2' ADE 10 -14.562 -0.187 -9.339 96 2H5* G 11 H5' GUA 11 -15.950 1.831 -5.339 97 H4* G 11 H4' GUA 11 -14.592 3.732 -5.353 98 H3* G 11 H3' GUA 11 -16.861 3.834 -6.835 99 H1* G 11 H1' GUA 11 -13.501 5.157 -8.185 100 H8 G 11 8H GUA 11 -14.453 1.751 -9.783 101 H1 G 11 1H GUA 11 -9.549 4.879 -12.482 102 1H2 G 11 1H2 GUA 11 -10.077 7.238 -10.004 103 2H2 G 11 2H2 GUA 11 -9.144 6.746 -11.400 104 2H2* G 11 H2' GUA 11 -15.786 5.193 -8.917 105 2H5* G 12 H5' GUA 12 -14.973 8.559 -5.641 106 H4* G 12 H4' GUA 12 -13.284 9.790 -6.618 107 H3* G 12 H3' GUA 12 -15.761 10.503 -7.393 108 H1* G 12 H1' GUA 12 -12.961 10.035 -10.033 109 H8 G 12 8H GUA 12 -15.287 6.934 -9.812 110 H1 G 12 1H GUA 12 -11.507 7.293 -14.981 111 1H2 G 12 1H2 GUA 12 -10.376 10.246 -13.582 112 2H2 G 12 2H2 GUA 12 -10.278 9.107 -14.906 113 2H2* G 12 H2' GUA 12 -15.220 10.826 -10.022 114 2H5* G 13 H5' GUA 13 -12.280 14.107 -9.005 115 H4* G 13 H4' GUA 13 -10.911 14.349 -10.907 116 H3* G 13 H3' GUA 13 -13.246 15.672 -10.868 117 H1* G 13 H1' GUA 13 -12.266 13.627 -14.023 118 H8 G 13 8H GUA 13 -14.761 11.740 -11.724 119 H1 G 13 1H GUA 13 -13.948 9.338 -17.615 120 1H2 G 13 1H2 GUA 13 -11.698 11.931 -18.040 121 2H2 G 13 2H2 GUA 13 -12.488 10.531 -18.732 122 H3T G 13 H3T GUA 13 -10.979 15.714 -12.298 123 2H2* G 13 H2' GUA 13 -14.007 15.143 -13.409 124 2H5* C 14 H5' CYT 14 -11.999 5.905 -25.619 125 H4* C 14 H4' CYT 14 -10.947 8.063 -24.876 126 H3* C 14 H3' CYT 14 -10.153 5.584 -24.215 127 H1* C 14 H1' CYT 14 -10.779 8.204 -21.412 128 1H4 C 14 1H4 CYT 14 -16.273 6.134 -18.332 129 2H4 C 14 2H4 CYT 14 -15.629 7.482 -17.421 130 H5 C 14 5H CYT 14 -15.251 5.319 -20.373 131 H6 C 14 6H CYT 14 -13.413 5.631 -21.947 132 2H2* C 14 H2' CYT 14 -9.898 5.989 -21.551 133 H5T C 14 H5T CYT 14 -13.951 5.391 -24.565 134 2H5* C 15 H5' CYT 15 -6.606 9.073 -22.516 135 H4* C 15 H4' CYT 15 -6.391 10.256 -20.553 136 H3* C 15 H3' CYT 15 -5.097 7.900 -20.549 137 H1* C 15 H1' CYT 15 -7.316 8.877 -17.512 138 1H4 C 15 1H4 CYT 15 -12.558 4.829 -17.838 139 2H4 C 15 2H4 CYT 15 -12.622 5.659 -16.299 140 H5 C 15 5H CYT 15 -10.816 5.225 -19.475 141 H6 C 15 6H CYT 15 -8.788 6.491 -19.962 142 2H2* C 15 H2' CYT 15 -5.788 7.125 -18.049 143 2H5* C 16 H5' CYT 16 -4.221 10.904 -16.659 144 H4* C 16 H4' CYT 16 -4.856 11.158 -14.513 145 H3* C 16 H3' CYT 16 -2.748 9.504 -14.609 146 H1* C 16 H1' CYT 16 -5.877 8.455 -12.533 147 1H4 C 16 1H4 CYT 16 -8.655 3.579 -16.062 148 2H4 C 16 2H4 CYT 16 -9.369 3.554 -14.465 149 H5 C 16 5H CYT 16 -6.963 5.180 -16.720 150 H6 C 16 6H CYT 16 -5.615 7.076 -15.984 151 2H2* C 16 H2' CYT 16 -3.668 7.641 -12.872 152 2H5* T 17 H5' THY 17 -3.885 11.186 -9.809 153 H4* T 17 H4' THY 17 -5.357 10.346 -8.295 154 H3* T 17 H3' THY 17 -2.872 9.349 -7.918 155 2H2* T 17 H2' THY 17 -3.636 6.813 -7.356 156 H1* T 17 H1' THY 17 -5.978 7.056 -7.820 157 H3 T 17 3H THY 17 -7.334 3.616 -10.303 158 1H5M T 17 1H7 THY 17 -4.396 5.599 -13.760 159 2H5M T 17 2H7 THY 17 -2.967 5.622 -12.698 160 3H5M T 17 3H7 THY 17 -3.705 4.072 -13.165 161 H6 T 17 6H THY 17 -3.909 6.879 -10.893 162 2H5* A 18 H5' ADE 18 -5.818 8.278 -3.795 163 H4* A 18 H4' ADE 18 -6.872 6.480 -2.927 164 H3* A 18 H3' ADE 18 -4.243 6.293 -2.437 165 H1* A 18 H1' ADE 18 -6.096 3.209 -3.941 166 H8 A 18 8H ADE 18 -3.758 5.029 -6.416 167 1H6 A 18 1H6 ADE 18 -4.434 2.069 -10.211 168 2H6 A 18 2H6 ADE 18 -5.477 0.694 -10.487 169 H2 A 18 2H ADE 18 -7.848 0.091 -6.728 170 2H2* A 18 H2' ADE 18 -3.931 3.681 -3.085 171 2H5* A 19 H5' ADE 19 -7.261 2.822 -0.797 172 H4* A 19 H4' ADE 19 -8.057 0.714 -0.971 173 H3* A 19 H3' ADE 19 -5.752 0.667 0.362 174 H1* A 19 H1' ADE 19 -6.091 -1.749 -2.737 175 H8 A 19 8H ADE 19 -3.860 1.364 -3.228 176 1H6 A 19 1H6 ADE 19 -2.507 0.435 -7.804 177 2H6 A 19 2H6 ADE 19 -2.954 -0.802 -8.957 178 H2 A 19 2H ADE 19 -5.967 -3.436 -6.934 179 2H2* A 19 H2' ADE 19 -4.579 -1.396 -0.959 180 2H5* C 20 H5' CYT 20 -7.883 -4.006 0.086 181 H4* C 20 H4' CYT 20 -7.630 -5.819 -1.255 182 H3* C 20 H3' CYT 20 -5.853 -5.875 0.765 183 H1* C 20 H1' CYT 20 -4.677 -6.581 -2.867 184 1H4 C 20 1H4 CYT 20 -0.990 -1.335 -4.551 185 2H4 C 20 2H4 CYT 20 -0.835 -2.525 -5.826 186 H5 C 20 5H CYT 20 -2.387 -1.672 -2.600 187 H6 C 20 6H CYT 20 -3.910 -3.214 -1.482 188 2H2* C 20 H2' CYT 20 -3.713 -6.681 -0.684 189 2H5* C 21 H5' CYT 21 -6.349 -10.404 -1.722 190 H4* C 21 H4' CYT 21 -5.288 -11.248 -3.536 191 H3* C 21 H3' CYT 21 -3.988 -11.938 -1.277 192 H1* C 21 H1' CYT 21 -2.017 -10.576 -4.324 193 1H4 C 21 1H4 CYT 21 0.191 -4.604 -2.478 194 2H4 C 21 2H4 CYT 21 0.926 -4.988 -4.020 195 H5 C 21 5H CYT 21 -1.379 -6.076 -1.365 196 H6 C 21 6H CYT 21 -2.555 -8.207 -1.503 197 2H2* C 21 H2' CYT 21 -1.476 -11.532 -2.198 198 2H5* C 22 H5' CYT 22 -2.073 -14.285 -5.380 199 H4* C 22 H4' CYT 22 -0.256 -14.308 -6.750 200 H3* C 22 H3' CYT 22 0.264 -15.540 -4.425 201 H1* C 22 H1' CYT 22 2.792 -12.916 -5.789 202 1H4 C 22 1H4 CYT 22 2.159 -7.692 -1.755 203 2H4 C 22 2H4 CYT 22 3.599 -7.449 -2.719 204 H5 C 22 5H CYT 22 0.737 -9.640 -1.983 205 H6 C 22 6H CYT 22 0.409 -11.741 -3.179 206 2H2* C 22 H2' CYT 22 2.714 -14.479 -3.991 207 2H5* T 23 H5' THY 23 3.833 -15.796 -7.887 208 H4* T 23 H4' THY 23 5.812 -14.873 -8.410 209 H3* T 23 H3' THY 23 6.248 -16.867 -6.659 210 2H2* T 23 H2' THY 23 8.048 -15.580 -5.102 211 H1* T 23 H1' THY 23 7.926 -13.410 -6.099 212 H3 T 23 3H THY 23 7.511 -10.338 -2.904 213 1H5M T 23 1H7 THY 23 3.821 -14.023 -1.830 214 2H5M T 23 2H7 THY 23 2.997 -12.548 -2.389 215 3H5M T 23 3H7 THY 23 3.988 -12.510 -0.911 216 H6 T 23 6H THY 23 4.912 -14.163 -4.073 217 2H5* A 24 H5' ADE 24 10.659 -15.101 -8.786 218 H4* A 24 H4' ADE 24 12.120 -13.442 -8.227 219 H3* A 24 H3' ADE 24 12.788 -15.786 -7.083 220 H1* A 24 H1' ADE 24 12.766 -12.534 -4.973 221 H8 A 24 8H ADE 24 9.748 -14.851 -4.201 222 1H6 A 24 1H6 ADE 24 8.023 -12.335 -0.415 223 2H6 A 24 2H6 ADE 24 8.501 -10.834 0.344 224 H2 A 24 2H ADE 24 12.054 -9.306 -1.926 225 2H2* A 24 H2' ADE 24 13.435 -14.807 -4.648 226 2H5* A 25 H5' ADE 25 16.818 -12.342 -6.815 227 H4* A 25 H4' ADE 25 17.088 -10.574 -5.332 228 H3* A 25 H3' ADE 25 18.437 -12.832 -4.719 229 H1* A 25 H1' ADE 25 16.458 -10.921 -1.993 230 H8 A 25 8H ADE 25 14.592 -14.116 -3.191 231 1H6 A 25 1H6 ADE 25 11.228 -14.176 0.318 232 2H6 A 25 2H6 ADE 25 10.890 -13.121 1.672 233 H2 A 25 2H ADE 25 13.934 -9.831 1.545 234 2H2* A 25 H2' ADE 25 17.975 -12.772 -2.052 235 2H5* C 26 H5' CYT 26 20.067 -8.695 -2.018 236 H4* C 26 H4' CYT 26 19.295 -7.753 -0.054 237 H3* C 26 H3' CYT 26 21.425 -9.353 0.248 238 H1* C 26 H1' CYT 26 18.377 -9.786 2.629 239 1H4 C 26 1H4 CYT 26 15.575 -15.498 0.765 240 2H4 C 26 2H4 CYT 26 14.882 -15.042 2.305 241 H5 C 26 5H CYT 26 17.248 -14.164 -0.371 242 H6 C 26 6H CYT 26 18.589 -12.130 -0.260 243 H3T C 26 H3T CYT 26 19.983 -7.663 1.889 244 2H2* C 26 H2' CYT 26 20.589 -10.661 2.461 245 1H GLU 438 H GLU 438 -3.387 19.210 -2.376 246 HA GLU 438 HA GLU 438 -5.345 21.011 -1.108 247 1HB GLU 438 2HB GLU 438 -5.736 22.012 -3.347 248 2HB GLU 438 1HB GLU 438 -4.116 22.306 -2.730 249 1HG GLU 438 2HG GLU 438 -3.836 19.975 -4.171 250 2HG GLU 438 1HG GLU 438 -4.977 20.919 -5.129 251 H ASP 439 H ASP 439 -5.309 18.095 -1.291 252 HA ASP 439 HA ASP 439 -7.903 17.764 -2.602 253 1HB ASP 439 2HB ASP 439 -5.468 16.687 -3.617 254 2HB ASP 439 1HB ASP 439 -6.431 15.350 -2.998 255 H SER 440 H SER 440 -7.051 18.017 0.173 256 HA SER 440 HA SER 440 -8.331 15.607 1.182 257 1HB SER 440 2HB SER 440 -6.547 15.458 3.009 258 2HB SER 440 1HB SER 440 -6.081 14.892 1.404 259 HG SER 440 HG SER 440 -4.721 16.529 2.751 260 H THR 441 H THR 441 -9.773 16.105 2.696 261 HA THR 441 HA THR 441 -9.339 18.328 4.506 262 HB THR 441 HB THR 441 -11.833 19.020 3.847 263 HG1 THR 441 1HG THR 441 -10.714 18.174 1.386 264 1HG2 THR 441 1HG2 THR 441 -9.442 19.940 2.272 265 2HG2 THR 441 2HG2 THR 441 -9.945 20.564 3.842 266 3HG2 THR 441 3HG2 THR 441 -10.980 20.789 2.433 267 H THR 442 H THR 442 -12.113 16.397 3.367 268 HA THR 442 HA THR 442 -12.422 15.394 6.123 269 HB THR 442 HB THR 442 -14.190 17.002 5.597 270 HG1 THR 442 1HG THR 442 -15.201 15.623 6.815 271 1HG2 THR 442 1HG2 THR 442 -14.549 15.313 3.171 272 2HG2 THR 442 2HG2 THR 442 -14.566 17.069 3.338 273 3HG2 THR 442 3HG2 THR 442 -15.943 16.117 3.895 274 H ASN 443 H ASN 443 -11.007 14.245 3.797 275 HA ASN 443 HA ASN 443 -10.700 12.213 2.819 276 1HB ASN 443 2HB ASN 443 -12.281 11.648 5.235 277 2HB ASN 443 1HB ASN 443 -12.397 10.408 3.987 278 1HD2 ASN 443 1HD2 ASN 443 -11.312 9.430 6.094 279 2HD2 ASN 443 2HD2 ASN 443 -9.589 9.356 6.018 280 H ILE 444 H ILE 444 -11.612 10.758 1.280 281 HA ILE 444 HA ILE 444 -14.224 11.660 0.265 282 HB ILE 444 HB ILE 444 -12.085 10.264 -1.336 283 1HG1 ILE 444 2HG1 ILE 444 -12.340 13.004 -2.080 284 2HG1 ILE 444 1HG1 ILE 444 -12.083 12.946 -0.341 285 1HG2 ILE 444 1HG2 ILE 444 -14.018 10.017 -2.542 286 2HG2 ILE 444 2HG2 ILE 444 -13.453 11.569 -3.160 287 3HG2 ILE 444 3HG2 ILE 444 -14.720 11.516 -1.935 288 1HD1 ILE 444 1HD1 ILE 444 -10.022 13.135 -1.761 289 2HD1 ILE 444 2HD1 ILE 444 -10.335 11.483 -2.291 290 3HD1 ILE 444 3HD1 ILE 444 -10.028 11.819 -0.587 291 H THR 445 H THR 445 -12.285 8.889 1.142 292 HA THR 445 HA THR 445 -12.808 6.703 1.519 293 HB THR 445 HB THR 445 -15.686 7.624 1.413 294 HG1 THR 445 1HG THR 445 -14.345 8.803 2.915 295 1HG2 THR 445 1HG2 THR 445 -15.505 5.748 3.375 296 2HG2 THR 445 2HG2 THR 445 -14.410 5.106 2.150 297 3HG2 THR 445 3HG2 THR 445 -16.087 5.458 1.735 298 H LYS 446 H LYS 446 -11.984 6.125 -0.547 299 HA LYS 446 HA LYS 446 -13.741 5.978 -2.819 300 1HB LYS 446 2HB LYS 446 -10.911 5.675 -2.305 301 2HB LYS 446 1HB LYS 446 -11.499 4.361 -3.314 302 1HG LYS 446 2HG LYS 446 -11.875 5.705 -5.082 303 2HG LYS 446 1HG LYS 446 -12.391 7.062 -4.079 304 1HD LYS 446 2HD LYS 446 -10.268 7.865 -3.833 305 2HD LYS 446 1HD LYS 446 -9.534 6.265 -3.959 306 1HE LYS 446 2HE LYS 446 -9.285 6.428 -6.180 307 2HE LYS 446 1HE LYS 446 -10.884 7.141 -6.399 308 1HZ LYS 446 1HZ LYS 446 -10.015 9.278 -5.783 309 2HZ LYS 446 2HZ LYS 446 -9.058 8.644 -7.025 310 3HZ LYS 446 3HZ LYS 446 -8.496 8.620 -5.431 311 H LYS 447 H LYS 447 -11.759 3.314 -1.554 312 HA LYS 447 HA LYS 447 -14.172 1.648 -1.425 313 1HB LYS 447 2HB LYS 447 -12.798 -0.226 -2.440 314 2HB LYS 447 1HB LYS 447 -13.291 1.054 -3.538 315 1HG LYS 447 2HG LYS 447 -11.112 2.001 -3.549 316 2HG LYS 447 1HG LYS 447 -10.588 0.950 -2.231 317 1HD LYS 447 2HD LYS 447 -11.255 -0.966 -3.885 318 2HD LYS 447 1HD LYS 447 -11.082 0.291 -5.108 319 1HE LYS 447 2HE LYS 447 -8.777 0.692 -4.361 320 2HE LYS 447 1HE LYS 447 -8.953 -0.574 -3.143 321 1HZ LYS 447 1HZ LYS 447 -9.312 -1.073 -6.039 322 2HZ LYS 447 2HZ LYS 447 -9.130 -2.214 -4.803 323 3HZ LYS 447 3HZ LYS 447 -7.822 -1.244 -5.256 324 H GLN 448 H GLN 448 -10.695 1.809 -0.687 325 HA GLN 448 HA GLN 448 -11.173 1.004 2.026 326 1HB GLN 448 2HB GLN 448 -10.343 -0.964 0.023 327 2HB GLN 448 1HB GLN 448 -9.260 -0.886 1.405 328 1HG GLN 448 2HG GLN 448 -10.898 -1.551 2.894 329 2HG GLN 448 1HG GLN 448 -12.209 -1.083 1.816 330 1HE2 GLN 448 1HE2 GLN 448 -9.944 -3.535 2.675 331 2HE2 GLN 448 2HE2 GLN 448 -10.561 -4.773 1.639 332 H LYS 449 H LYS 449 -10.090 3.314 0.930 333 HA LYS 449 HA LYS 449 -7.219 3.182 0.983 334 1HB LYS 449 2HB LYS 449 -7.347 5.646 0.773 335 2HB LYS 449 1HB LYS 449 -8.291 4.806 -0.450 336 1HG LYS 449 2HG LYS 449 -10.169 5.799 0.195 337 2HG LYS 449 1HG LYS 449 -9.887 5.388 1.887 338 1HD LYS 449 2HD LYS 449 -9.672 7.610 2.158 339 2HD LYS 449 1HD LYS 449 -8.053 7.360 1.504 340 1HE LYS 449 2HE LYS 449 -9.079 7.728 -0.785 341 2HE LYS 449 1HE LYS 449 -10.524 8.287 0.058 342 1HZ LYS 449 1HZ LYS 449 -9.520 10.188 0.705 343 2HZ LYS 449 2HZ LYS 449 -8.578 9.910 -0.673 344 3HZ LYS 449 3HZ LYS 449 -7.988 9.486 0.854 345 H TRP 450 H TRP 450 -6.014 4.767 2.456 346 HA TRP 450 HA TRP 450 -6.788 4.157 5.188 347 1HB TRP 450 2HB TRP 450 -4.329 5.641 4.251 348 2HB TRP 450 1HB TRP 450 -4.580 4.866 5.809 349 HD1 TRP 450 HD TRP 450 -5.875 2.419 3.510 350 HE1 TRP 450 1HE TRP 450 -4.103 0.666 2.871 351 HE3 TRP 450 3HE TRP 450 -1.685 4.872 5.122 352 HZ2 TRP 450 2HZ TRP 450 -1.303 0.363 3.028 353 HZ3 TRP 450 3HZ TRP 450 0.500 3.779 4.840 354 HH2 TRP 450 HH TRP 450 0.685 1.573 3.815 355 H THR 451 H THR 451 -6.308 5.961 6.841 356 HA THR 451 HA THR 451 -7.798 8.328 5.974 357 HB THR 451 HB THR 451 -8.667 7.065 7.919 358 HG1 THR 451 1HG THR 451 -8.928 8.887 9.237 359 1HG2 THR 451 1HG2 THR 451 -5.940 7.434 8.908 360 2HG2 THR 451 2HG2 THR 451 -7.146 6.214 9.315 361 3HG2 THR 451 3HG2 THR 451 -7.211 7.806 10.071 362 H VAL 452 H VAL 452 -7.058 10.195 7.797 363 HA VAL 452 HA VAL 452 -4.566 11.086 6.729 364 HB VAL 452 HB VAL 452 -4.841 13.052 8.152 365 1HG1 VAL 452 1HG1 VAL 452 -7.586 12.587 7.118 366 2HG1 VAL 452 2HG1 VAL 452 -6.241 12.486 5.981 367 3HG1 VAL 452 3HG1 VAL 452 -6.514 13.968 6.900 368 1HG2 VAL 452 1HG2 VAL 452 -7.482 12.275 9.172 369 2HG2 VAL 452 2HG2 VAL 452 -6.187 13.185 9.946 370 3HG2 VAL 452 3HG2 VAL 452 -6.123 11.426 9.909 371 H GLU 453 H GLU 453 -5.416 9.247 9.501 372 HA GLU 453 HA GLU 453 -3.107 9.978 11.058 373 1HB GLU 453 2HB GLU 453 -5.000 7.645 11.397 374 2HB GLU 453 1HB GLU 453 -3.832 8.212 12.584 375 1HG GLU 453 2HG GLU 453 -5.240 10.477 12.129 376 2HG GLU 453 1HG GLU 453 -6.484 9.250 11.896 377 H GLU 454 H GLU 454 -4.102 7.153 9.163 378 HA GLU 454 HA GLU 454 -1.847 5.573 9.614 379 1HB GLU 454 2HB GLU 454 -3.828 5.699 7.358 380 2HB GLU 454 1HB GLU 454 -2.503 4.542 7.355 381 1HG GLU 454 2HG GLU 454 -3.627 4.245 9.860 382 2HG GLU 454 1HG GLU 454 -5.015 4.496 8.799 383 H SER 455 H SER 455 -2.495 7.964 7.083 384 HA SER 455 HA SER 455 -0.003 7.516 5.755 385 1HB SER 455 2HB SER 455 -2.138 9.625 5.501 386 2HB SER 455 1HB SER 455 -0.636 9.709 4.580 387 HG SER 455 HG SER 455 -2.200 7.364 4.575 388 H GLU 456 H GLU 456 -1.046 9.516 8.385 389 HA GLU 456 HA GLU 456 1.100 11.401 8.231 390 1HB GLU 456 2HB GLU 456 -1.013 11.931 9.381 391 2HB GLU 456 1HB GLU 456 -0.678 10.682 10.573 392 1HG GLU 456 2HG GLU 456 1.571 12.144 10.777 393 2HG GLU 456 1HG GLU 456 0.422 13.397 10.307 394 H TRP 457 H TRP 457 0.606 8.302 9.756 395 HA TRP 457 HA TRP 457 2.829 8.395 11.512 396 1HB TRP 457 2HB TRP 457 1.523 5.937 10.337 397 2HB TRP 457 1HB TRP 457 2.460 6.033 11.823 398 HD1 TRP 457 HD TRP 457 0.876 8.827 12.712 399 HE1 TRP 457 1HE TRP 457 -1.453 8.541 13.771 400 HE3 TRP 457 3HE TRP 457 -0.207 4.128 11.024 401 HZ2 TRP 457 2HZ TRP 457 -3.484 6.580 13.870 402 HZ3 TRP 457 3HZ TRP 457 -2.367 3.124 11.636 403 HH2 TRP 457 HH TRP 457 -3.968 4.321 13.033 404 H VAL 458 H VAL 458 2.364 6.825 8.349 405 HA VAL 458 HA VAL 458 4.973 5.835 8.095 406 HB VAL 458 HB VAL 458 2.994 5.191 6.669 407 1HG1 VAL 458 1HG1 VAL 458 3.747 7.571 4.993 408 2HG1 VAL 458 2HG1 VAL 458 2.400 7.585 6.128 409 3HG1 VAL 458 3HG1 VAL 458 2.395 6.463 4.770 410 1HG2 VAL 458 1HG2 VAL 458 5.448 5.935 5.091 411 2HG2 VAL 458 2HG2 VAL 458 4.326 4.608 4.781 412 3HG2 VAL 458 3HG2 VAL 458 5.370 4.568 6.203 413 H LYS 459 H LYS 459 3.674 9.017 7.575 414 HA LYS 459 HA LYS 459 5.750 10.029 5.934 415 1HB LYS 459 2HB LYS 459 3.576 11.153 6.145 416 2HB LYS 459 1HB LYS 459 3.917 11.507 7.834 417 1HG LYS 459 2HG LYS 459 5.359 13.187 7.337 418 2HG LYS 459 1HG LYS 459 5.880 12.444 5.824 419 1HD LYS 459 2HD LYS 459 4.132 13.328 4.630 420 2HD LYS 459 1HD LYS 459 3.069 13.397 6.036 421 1HE LYS 459 2HE LYS 459 3.684 15.489 6.517 422 2HE LYS 459 1HE LYS 459 5.396 15.112 6.325 423 1HZ LYS 459 1HZ LYS 459 4.139 16.761 4.717 424 2HZ LYS 459 2HZ LYS 459 3.783 15.324 3.898 425 3HZ LYS 459 3HZ LYS 459 5.393 15.766 4.169 426 H ALA 460 H ALA 460 5.173 10.333 9.436 427 HA ALA 460 HA ALA 460 7.724 11.570 9.888 428 1HB ALA 460 1HB ALA 460 5.838 10.390 11.924 429 2HB ALA 460 2HB ALA 460 5.732 12.033 11.291 430 3HB ALA 460 3HB ALA 460 7.144 11.536 12.225 431 H GLY 461 H GLY 461 6.466 8.320 9.949 432 1HA GLY 461 2HA GLY 461 8.383 7.056 11.541 433 2HA GLY 461 1HA GLY 461 7.498 6.289 10.231 434 H VAL 462 H VAL 462 8.424 7.629 8.031 435 HA VAL 462 HA VAL 462 11.024 6.449 7.721 436 HB VAL 462 HB VAL 462 9.557 8.222 5.764 437 1HG1 VAL 462 1HG1 VAL 462 12.083 7.593 5.537 438 2HG1 VAL 462 2HG1 VAL 462 11.017 7.495 4.137 439 3HG1 VAL 462 3HG1 VAL 462 11.443 6.032 5.024 440 1HG2 VAL 462 1HG2 VAL 462 9.044 5.476 6.626 441 2HG2 VAL 462 2HG2 VAL 462 9.223 5.654 4.881 442 3HG2 VAL 462 3HG2 VAL 462 8.012 6.601 5.743 443 H GLN 463 H GLU 463 9.756 9.650 8.261 444 HA GLN 463 HA GLU 463 12.075 11.098 7.487 445 1HB GLN 463 2HB GLU 463 9.791 12.088 7.726 446 2HB GLN 463 1HB GLU 463 9.954 11.935 9.472 447 1HG GLN 463 2HG GLU 463 11.834 13.455 9.461 448 2HG GLN 463 1HG GLU 463 11.767 13.557 7.704 449 H LYS 464 H LYS 464 11.213 9.347 10.349 450 HA LYS 464 HA LYS 464 13.491 10.511 11.794 451 1HB LYS 464 2HB LYS 464 11.012 9.079 12.694 452 2HB LYS 464 1HB LYS 464 12.416 9.188 13.745 453 1HG LYS 464 2HG LYS 464 11.778 11.771 12.655 454 2HG LYS 464 1HG LYS 464 10.365 11.059 13.437 455 1HD LYS 464 2HD LYS 464 11.246 11.297 15.486 456 2HD LYS 464 1HD LYS 464 12.833 10.727 14.965 457 1HE LYS 464 2HE LYS 464 13.457 12.854 15.340 458 2HE LYS 464 1HE LYS 464 12.744 13.142 13.752 459 1HZ LYS 464 1HZ LYS 464 12.057 14.484 15.945 460 2HZ LYS 464 2HZ LYS 464 10.906 13.247 15.996 461 3HZ LYS 464 3HZ LYS 464 11.013 14.247 14.635 462 H TYR 465 H TYR 465 12.012 7.379 10.988 463 HA TYR 465 HA TYR 465 14.384 5.967 11.887 464 1HB TYR 465 2HB TYR 465 11.786 4.997 10.686 465 2HB TYR 465 1HB TYR 465 13.099 3.933 11.176 466 HD1 TYR 465 1HD TYR 465 13.726 3.781 13.584 467 HD2 TYR 465 2HD TYR 465 10.279 5.910 12.285 468 HE1 TYR 465 1HE TYR 465 12.836 3.728 15.875 469 HE2 TYR 465 2HE TYR 465 9.381 5.865 14.574 470 HH TYR 465 HH TYR 465 10.476 3.855 16.939 471 H GLY 466 H GLY 466 12.662 6.564 8.842 472 1HA GLY 466 2HA GLY 466 14.136 7.057 6.911 473 2HA GLY 466 1HA GLY 466 15.100 5.683 7.425 474 H GLU 467 H GLU 467 14.567 5.350 4.987 475 HA GLU 467 HA GLU 467 11.961 4.129 4.563 476 1HB GLU 467 2HB GLU 467 13.564 5.582 2.920 477 2HB GLU 467 1HB GLU 467 13.998 3.950 2.436 478 1HG GLU 467 2HG GLU 467 11.459 3.563 2.262 479 2HG GLU 467 1HG GLU 467 11.350 5.322 2.262 480 H GLY 468 H GLY 468 11.612 1.969 4.116 481 1HA GLY 468 2HA GLY 468 12.239 -0.270 3.726 482 2HA GLY 468 1HA GLY 468 13.893 0.144 4.144 483 H ASN 469 H ASN 469 12.528 1.581 6.577 484 HA ASN 469 HA ASN 469 12.587 -0.819 8.261 485 1HB ASN 469 2HB ASN 469 13.651 1.817 8.554 486 2HB ASN 469 1HB ASN 469 12.481 1.552 9.840 487 1HD2 ASN 469 1HD2 ASN 469 15.610 0.958 8.742 488 2HD2 ASN 469 2HD2 ASN 469 16.092 -0.164 9.964 489 H TRP 470 H TRP 470 10.362 -1.201 7.315 490 HA TRP 470 HA TRP 470 8.247 0.447 8.434 491 1HB TRP 470 2HB TRP 470 7.816 -2.139 6.960 492 2HB TRP 470 1HB TRP 470 6.760 -0.733 7.052 493 HD1 TRP 470 HD TRP 470 9.119 -2.366 4.777 494 HE1 TRP 470 1HE TRP 470 9.803 -0.787 2.864 495 HE3 TRP 470 3HE TRP 470 7.391 2.043 6.704 496 HZ2 TRP 470 2HZ TRP 470 9.633 1.963 2.252 497 HZ3 TRP 470 3HZ TRP 470 7.689 4.102 5.391 498 HH2 TRP 470 HH TRP 470 8.789 4.063 3.212 499 H ALA 471 H ALA 471 9.709 -2.694 8.929 500 HA ALA 471 HA ALA 471 7.893 -4.037 10.460 501 1HB ALA 471 1HB ALA 471 10.873 -3.883 10.891 502 2HB ALA 471 2HB ALA 471 10.005 -5.032 9.875 503 3HB ALA 471 3HB ALA 471 9.812 -5.084 11.627 504 H ALA 472 H ALA 472 10.176 -1.576 11.638 505 HA ALA 472 HA ALA 472 9.263 -1.707 14.336 506 1HB ALA 472 1HB ALA 472 11.515 -0.910 13.726 507 2HB ALA 472 2HB ALA 472 10.634 0.249 14.721 508 3HB ALA 472 3HB ALA 472 10.789 0.518 12.986 509 H ILE 473 H ILE 473 8.538 0.409 11.597 510 HA ILE 473 HA ILE 473 6.992 2.313 12.929 511 HB ILE 473 HB ILE 473 6.604 1.306 10.105 512 1HG1 ILE 473 2HG1 ILE 473 8.212 3.688 11.042 513 2HG1 ILE 473 1HG1 ILE 473 8.924 2.115 10.703 514 1HG2 ILE 473 1HG2 ILE 473 5.869 3.989 11.264 515 2HG2 ILE 473 2HG2 ILE 473 4.732 2.657 11.068 516 3HG2 ILE 473 3HG2 ILE 473 5.500 3.375 9.653 517 1HD1 ILE 473 1HD1 ILE 473 8.752 2.373 8.467 518 2HD1 ILE 473 2HD1 ILE 473 8.797 4.079 8.912 519 3HD1 ILE 473 3HD1 ILE 473 7.253 3.296 8.576 520 H SER 474 H SER 474 6.144 -0.867 11.679 521 HA SER 474 HA SER 474 3.338 -0.529 12.295 522 1HB SER 474 2HB SER 474 4.265 -1.918 10.362 523 2HB SER 474 1HB SER 474 4.712 -3.118 11.575 524 HG SER 474 HG SER 474 2.437 -2.974 10.411 525 H LYS 475 H LYS 475 6.139 -1.478 13.976 526 HA LYS 475 HA LYS 475 4.696 -3.128 15.892 527 1HB LYS 475 2HB LYS 475 7.259 -3.233 14.947 528 2HB LYS 475 1HB LYS 475 7.487 -2.417 16.487 529 1HG LYS 475 2HG LYS 475 6.527 -4.236 17.680 530 2HG LYS 475 1HG LYS 475 5.988 -5.007 16.189 531 1HD LYS 475 2HD LYS 475 8.021 -5.888 15.762 532 2HD LYS 475 1HD LYS 475 8.873 -4.450 16.335 533 1HE LYS 475 2HE LYS 475 7.826 -5.426 18.650 534 2HE LYS 475 1HE LYS 475 8.145 -6.912 17.758 535 1HZ LYS 475 1HZ LYS 475 10.437 -6.022 17.382 536 2HZ LYS 475 2HZ LYS 475 10.080 -6.405 18.990 537 3HZ LYS 475 3HZ LYS 475 10.084 -4.790 18.486 538 H ASN 476 H ASN 476 5.175 0.129 15.446 539 HA ASN 476 HA ASN 476 4.976 0.641 18.343 540 1HB ASN 476 2HB ASN 476 7.041 1.479 16.853 541 2HB ASN 476 1HB ASN 476 5.930 2.809 16.547 542 1HD2 ASN 476 1HD2 ASN 476 7.549 0.982 19.076 543 2HD2 ASN 476 2HD2 ASN 476 7.547 2.248 20.251 544 H TYR 477 H TYR 477 3.997 1.737 15.114 545 HA TYR 477 HA TYR 477 2.024 3.550 16.171 546 1HB TYR 477 2HB TYR 477 2.761 2.658 13.391 547 2HB TYR 477 1HB TYR 477 1.337 3.651 13.689 548 HD1 TYR 477 1HD TYR 477 4.983 3.578 13.589 549 HD2 TYR 477 2HD TYR 477 1.572 5.954 14.492 550 HE1 TYR 477 1HE TYR 477 6.388 5.595 13.561 551 HE2 TYR 477 2HE TYR 477 2.966 7.979 14.466 552 HH TYR 477 HH TYR 477 5.322 8.594 14.748 553 HA PRO 478 HA PRO 478 -1.503 0.919 16.274 554 1HB PRO 478 2HB PRO 478 -3.228 2.814 14.895 555 2HB PRO 478 1HB PRO 478 -3.174 2.406 16.611 556 1HG PRO 478 2HG PRO 478 -2.392 4.819 15.638 557 2HG PRO 478 1HG PRO 478 -1.700 4.094 17.099 558 1HD PRO 478 2HD PRO 478 -0.594 4.168 14.314 559 2HD PRO 478 1HD PRO 478 0.241 4.411 15.865 560 H PHE 479 H PHE 479 0.036 0.177 14.074 561 HA PHE 479 HA PHE 479 -1.755 0.006 11.786 562 1HB PHE 479 2HB PHE 479 1.128 -0.619 12.273 563 2HB PHE 479 1HB PHE 479 0.301 -1.411 10.934 564 HD1 PHE 479 1HD PHE 479 -1.089 0.222 9.397 565 HD2 PHE 479 2HD PHE 479 2.166 1.392 11.874 566 HE1 PHE 479 1HE PHE 479 -0.746 2.215 7.996 567 HE2 PHE 479 2HE PHE 479 2.514 3.388 10.479 568 HZ PHE 479 HZ PHE 479 1.057 3.803 8.539 569 H VAL 480 H VAL 480 -3.407 -1.352 12.545 570 HA VAL 480 HA VAL 480 -2.796 -3.907 13.716 571 HB VAL 480 HB VAL 480 -5.464 -2.944 12.684 572 1HG1 VAL 480 1HG1 VAL 480 -4.977 -5.427 13.276 573 2HG1 VAL 480 2HG1 VAL 480 -6.442 -4.659 13.883 574 3HG1 VAL 480 3HG1 VAL 480 -5.045 -4.857 14.942 575 1HG2 VAL 480 1HG2 VAL 480 -5.259 -1.351 14.255 576 2HG2 VAL 480 2HG2 VAL 480 -3.914 -2.172 15.050 577 3HG2 VAL 480 3HG2 VAL 480 -5.573 -2.663 15.390 578 H ASN 481 H ASN 481 -4.775 -3.148 10.840 579 HA ASN 481 HA ASN 481 -3.915 -5.701 9.686 580 1HB ASN 481 2HB ASN 481 -6.371 -4.084 9.521 581 2HB ASN 481 1HB ASN 481 -5.854 -4.787 7.993 582 1HD2 ASN 481 1HD2 ASN 481 -6.560 -6.741 7.579 583 2HD2 ASN 481 2HD2 ASN 481 -7.092 -7.901 8.741 584 H ARG 482 H ARG 482 -1.871 -4.066 9.513 585 HA ARG 482 HA ARG 482 -1.773 -3.401 6.668 586 1HB ARG 482 2HB ARG 482 -1.892 -1.452 8.711 587 2HB ARG 482 1HB ARG 482 -0.233 -1.462 8.127 588 1HG ARG 482 2HG ARG 482 -1.304 0.123 6.805 589 2HG ARG 482 1HG ARG 482 -1.241 -1.314 5.786 590 1HD ARG 482 2HD ARG 482 -3.427 -0.244 5.655 591 2HD ARG 482 1HD ARG 482 -3.547 -1.844 6.382 592 HE ARG 482 HE ARG 482 -3.302 0.334 8.264 593 1HH1 ARG 482 1HH1 ARG 482 -5.492 -1.687 6.445 594 2HH1 ARG 482 2HH1 ARG 482 -6.821 -1.431 7.523 595 1HH2 ARG 482 1HH2 ARG 482 -5.052 0.669 9.683 596 2HH2 ARG 482 2HH2 ARG 482 -6.572 -0.094 9.363 597 H THR 483 H THR 483 -0.473 -5.186 6.305 598 HA THR 483 HA THR 483 1.795 -5.850 7.857 599 HB THR 483 HB THR 483 2.410 -7.036 5.558 600 HG1 THR 483 1HG THR 483 0.944 -6.837 4.092 601 1HG2 THR 483 1HG2 THR 483 -0.074 -8.085 6.808 602 2HG2 THR 483 2HG2 THR 483 1.403 -7.999 7.768 603 3HG2 THR 483 3HG2 THR 483 1.374 -8.938 6.275 604 H ALA 484 H ALA 484 4.034 -5.975 6.798 605 HA ALA 484 HA ALA 484 4.954 -3.337 6.372 606 1HB ALA 484 1HB ALA 484 6.352 -5.073 7.391 607 2HB ALA 484 2HB ALA 484 7.144 -4.336 5.998 608 3HB ALA 484 3HB ALA 484 6.407 -5.932 5.849 609 H VAL 485 H VAL 485 3.745 -5.726 4.216 610 HA VAL 485 HA VAL 485 5.063 -4.785 1.858 611 HB VAL 485 HB VAL 485 2.532 -6.426 2.048 612 1HG1 VAL 485 1HG1 VAL 485 2.614 -6.696 -0.178 613 2HG1 VAL 485 2HG1 VAL 485 4.373 -6.815 -0.199 614 3HG1 VAL 485 3HG1 VAL 485 3.597 -5.233 -0.157 615 1HG2 VAL 485 1HG2 VAL 485 4.527 -8.170 1.411 616 2HG2 VAL 485 2HG2 VAL 485 3.870 -7.937 3.030 617 3HG2 VAL 485 3HG2 VAL 485 5.342 -7.097 2.546 618 H MET 486 H MET 486 2.013 -4.097 3.466 619 HA MET 486 HA MET 486 0.936 -2.554 1.304 620 1HB MET 486 2HB MET 486 0.166 -2.929 4.189 621 2HB MET 486 1HB MET 486 -0.659 -1.761 3.166 622 1HG MET 486 2HG MET 486 -1.417 -3.475 1.696 623 2HG MET 486 1HG MET 486 -0.416 -4.681 2.501 624 1HE MET 486 1HE MET 486 -3.575 -4.072 1.717 625 2HE MET 486 2HE MET 486 -4.599 -4.583 3.058 626 3HE MET 486 3HE MET 486 -3.463 -5.720 2.333 627 H ILE 487 H ILE 487 2.724 -1.865 4.250 628 HA ILE 487 HA ILE 487 2.457 0.943 4.206 629 HB ILE 487 HB ILE 487 4.756 -0.648 5.350 630 1HG1 ILE 487 2HG1 ILE 487 2.296 0.272 6.835 631 2HG1 ILE 487 1HG1 ILE 487 2.393 -1.318 6.084 632 1HG2 ILE 487 1HG2 ILE 487 5.219 1.727 5.199 633 2HG2 ILE 487 2HG2 ILE 487 4.975 1.262 6.882 634 3HG2 ILE 487 3HG2 ILE 487 3.694 2.098 6.005 635 1HD1 ILE 487 1HD1 ILE 487 3.972 -2.070 7.574 636 2HD1 ILE 487 2HD1 ILE 487 2.977 -1.028 8.588 637 3HD1 ILE 487 3HD1 ILE 487 4.524 -0.446 7.976 638 H LYS 488 H LYS 488 4.638 -1.265 2.590 639 HA LYS 488 HA LYS 488 6.456 0.782 1.720 640 1HB LYS 488 2HB LYS 488 6.972 -1.706 2.060 641 2HB LYS 488 1HB LYS 488 6.186 -1.959 0.509 642 1HG LYS 488 2HG LYS 488 7.915 0.017 -0.129 643 2HG LYS 488 1HG LYS 488 8.820 -0.820 1.131 644 1HD LYS 488 2HD LYS 488 9.477 -2.188 -0.523 645 2HD LYS 488 1HD LYS 488 7.873 -2.903 -0.361 646 1HE LYS 488 2HE LYS 488 7.936 -0.521 -2.053 647 2HE LYS 488 1HE LYS 488 8.925 -1.848 -2.659 648 1HZ LYS 488 1HZ LYS 488 6.682 -1.983 -3.516 649 2HZ LYS 488 2HZ LYS 488 6.046 -2.008 -1.948 650 3HZ LYS 488 3HZ LYS 488 6.989 -3.299 -2.499 651 H ASP 489 H ASP 489 3.584 -0.750 0.465 652 HA ASP 489 HA ASP 489 3.886 0.057 -2.237 653 1HB ASP 489 2HB ASP 489 1.822 -1.206 -0.590 654 2HB ASP 489 1HB ASP 489 1.161 -0.160 -1.843 655 H ARG 490 H ARG 490 2.441 1.558 0.598 656 HA ARG 490 HA ARG 490 1.164 3.682 -0.784 657 1HB ARG 490 2HB ARG 490 0.703 2.870 1.590 658 2HB ARG 490 1HB ARG 490 2.126 3.782 2.070 659 1HG ARG 490 2HG ARG 490 0.781 5.521 2.346 660 2HG ARG 490 1HG ARG 490 0.649 5.590 0.588 661 1HD ARG 490 2HD ARG 490 -1.368 4.402 0.579 662 2HD ARG 490 1HD ARG 490 -1.124 3.806 2.218 663 HE ARG 490 HE ARG 490 -1.854 5.852 3.061 664 1HH1 ARG 490 1HH1 ARG 490 -1.743 5.905 -0.435 665 2HH1 ARG 490 2HH1 ARG 490 -2.711 7.334 -0.564 666 1HH2 ARG 490 1HH2 ARG 490 -3.131 7.730 2.880 667 2HH2 ARG 490 2HH2 ARG 490 -3.497 8.368 1.313 668 H TRP 491 H TRP 491 4.210 3.549 1.066 669 HA TRP 491 HA TRP 491 4.991 6.195 0.486 670 1HB TRP 491 2HB TRP 491 5.890 4.570 2.288 671 2HB TRP 491 1HB TRP 491 6.952 3.979 1.016 672 HD1 TRP 491 HD TRP 491 9.238 5.105 1.030 673 HE1 TRP 491 1HE TRP 491 10.178 7.387 1.760 674 HE3 TRP 491 3HE TRP 491 4.891 7.324 2.549 675 HZ2 TRP 491 2HZ TRP 491 9.205 9.806 2.837 676 HZ3 TRP 491 3HZ TRP 491 4.982 9.624 3.417 677 HH2 TRP 491 HH TRP 491 7.095 10.839 3.558 678 H ARG 492 H ARG 492 5.298 3.208 -1.274 679 HA ARG 492 HA ARG 492 7.297 4.157 -3.097 680 1HB ARG 492 2HB ARG 492 6.991 1.756 -2.603 681 2HB ARG 492 1HB ARG 492 5.402 1.814 -3.352 682 1HG ARG 492 2HG ARG 492 6.356 2.258 -5.498 683 2HG ARG 492 1HG ARG 492 7.962 2.458 -4.798 684 1HD ARG 492 2HD ARG 492 8.317 0.236 -4.652 685 2HD ARG 492 1HD ARG 492 6.646 -0.106 -4.206 686 HE ARG 492 HE ARG 492 7.777 -0.121 -6.852 687 1HH1 ARG 492 1HH1 ARG 492 4.843 0.159 -4.987 688 2HH1 ARG 492 2HH1 ARG 492 3.819 -0.353 -6.286 689 1HH2 ARG 492 1HH2 ARG 492 6.434 -0.790 -8.563 690 2HH2 ARG 492 2HH2 ARG 492 4.723 -0.890 -8.318 691 H THR 493 H THR 493 3.807 4.130 -2.980 692 HA THR 493 HA THR 493 3.397 4.772 -5.730 693 HB THR 493 HB THR 493 1.565 5.151 -3.353 694 HG1 THR 493 1HG THR 493 0.743 3.165 -3.930 695 1HG2 THR 493 1HG2 THR 493 1.197 6.091 -5.938 696 2HG2 THR 493 2HG2 THR 493 -0.034 5.885 -4.692 697 3HG2 THR 493 3HG2 THR 493 0.264 4.595 -5.857 698 H MET 494 H MET 494 3.920 6.622 -2.810 699 HA MET 494 HA MET 494 3.200 9.136 -4.020 700 1HB MET 494 2HB MET 494 3.369 8.256 -1.430 701 2HB MET 494 1HB MET 494 4.835 9.217 -1.579 702 1HG MET 494 2HG MET 494 3.712 11.138 -1.561 703 2HG MET 494 1HG MET 494 2.493 10.539 -2.684 704 1HE MET 494 1HE MET 494 2.509 12.069 0.883 705 2HE MET 494 2HE MET 494 3.809 10.887 0.744 706 3HE MET 494 3HE MET 494 2.467 10.591 1.847 707 H LYS 495 H LYS 495 6.092 7.255 -3.565 708 HA LYS 495 HA LYS 495 7.852 9.454 -4.248 709 1HB LYS 495 2HB LYS 495 8.235 7.248 -2.743 710 2HB LYS 495 1HB LYS 495 8.878 6.674 -4.275 711 1HG LYS 495 2HG LYS 495 10.734 7.883 -4.066 712 2HG LYS 495 1HG LYS 495 9.836 9.332 -3.601 713 1HD LYS 495 2HD LYS 495 9.620 8.395 -1.310 714 2HD LYS 495 1HD LYS 495 10.642 7.044 -1.804 715 1HE LYS 495 2HE LYS 495 12.531 8.355 -1.960 716 2HE LYS 495 1HE LYS 495 11.609 9.835 -2.217 717 1HZ LYS 495 1HZ LYS 495 11.578 8.378 0.360 718 2HZ LYS 495 2HZ LYS 495 11.071 9.963 0.050 719 3HZ LYS 495 3HZ LYS 495 12.717 9.581 0.014 720 H ARG 496 H ARG 496 6.192 6.884 -5.860 721 HA ARG 496 HA ARG 496 7.881 6.908 -8.198 722 1HB ARG 496 2HB ARG 496 6.445 4.945 -7.321 723 2HB ARG 496 1HB ARG 496 5.097 5.770 -8.096 724 1HG ARG 496 2HG ARG 496 5.818 4.219 -9.676 725 2HG ARG 496 1HG ARG 496 6.531 5.742 -10.210 726 1HD ARG 496 2HD ARG 496 8.624 5.086 -9.008 727 2HD ARG 496 1HD ARG 496 7.895 3.511 -8.712 728 HE ARG 496 HE ARG 496 7.693 3.786 -11.393 729 1HH1 ARG 496 1HH1 ARG 496 10.355 4.088 -9.158 730 2HH1 ARG 496 2HH1 ARG 496 11.544 3.578 -10.310 731 1HH2 ARG 496 1HH2 ARG 496 9.254 3.117 -12.911 732 2HH2 ARG 496 2HH2 ARG 496 10.918 3.030 -12.442 733 H LEU 497 H LEU 497 4.906 8.426 -7.153 734 HA LEU 497 HA LEU 497 4.986 10.100 -9.560 735 1HB LEU 497 2HB LEU 497 2.912 8.223 -8.836 736 2HB LEU 497 1HB LEU 497 2.272 9.854 -8.893 737 HG LEU 497 HG LEU 497 3.918 9.350 -11.207 738 1HD1 LEU 497 1HD1 LEU 497 2.151 7.738 -12.196 739 2HD1 LEU 497 2HD1 LEU 497 1.849 7.308 -10.514 740 3HD1 LEU 497 3HD1 LEU 497 3.454 7.084 -11.204 741 1HD2 LEU 497 1HD2 LEU 497 0.983 9.946 -10.849 742 2HD2 LEU 497 2HD2 LEU 497 1.865 10.029 -12.374 743 3HD2 LEU 497 3HD2 LEU 497 2.275 11.128 -11.057 744 H GLY 498 H GLY 498 6.055 11.520 -7.991 745 1HA GLY 498 2HA GLY 498 4.540 13.631 -7.154 746 2HA GLY 498 1HA GLY 498 4.546 12.548 -5.771 747 H MET 499 H MET 499 6.834 11.724 -5.206 748 HA MET 499 HA MET 499 8.455 14.061 -4.753 749 1HB MET 499 2HB MET 499 8.833 11.168 -3.965 750 2HB MET 499 1HB MET 499 9.907 12.472 -3.479 751 1HG MET 499 2HG MET 499 7.757 13.563 -2.540 752 2HG MET 499 1HG MET 499 7.090 11.936 -2.648 753 1HE MET 499 1HE MET 499 9.874 13.619 0.477 754 2HE MET 499 2HE MET 499 8.835 14.448 -0.682 755 3HE MET 499 3HE MET 499 10.401 13.819 -1.196 756 H ASN 500 H ASN 500 8.201 12.004 -7.322 757 HA ASN 500 HA ASN 500 11.067 12.151 -7.964 758 1HB ASN 500 2HB ASN 500 9.137 10.083 -8.287 759 2HB ASN 500 1HB ASN 500 9.617 10.613 -9.895 760 1HD2 ASN 500 1HD2 ASN 500 11.635 10.165 -10.632 761 2HD2 ASN 500 2HD2 ASN 500 12.777 9.195 -9.771 Start of MODEL 5 1 2H5* G 1 H5' GUA 1 8.040 -14.693 11.931 2 H4* G 1 H4' GUA 1 9.875 -12.944 12.232 3 H3* G 1 H3' GUA 1 7.514 -12.653 11.004 4 H1* G 1 H1' GUA 1 10.774 -11.801 9.025 5 H8 G 1 8H GUA 1 9.009 -15.045 7.914 6 H1 G 1 1H GUA 1 14.431 -13.608 4.804 7 1H2 G 1 1H2 GUA 1 14.684 -10.997 7.063 8 2H2 G 1 2H2 GUA 1 15.379 -11.841 5.695 9 2H2* G 1 H2' GUA 1 8.433 -11.576 8.693 10 H5T G 1 H5T GUA 1 9.397 -16.351 10.465 11 2H5* T 2 H5' THY 2 10.542 -8.637 10.877 12 H4* T 2 H4' THY 2 12.082 -7.730 9.458 13 H3* T 2 H3' THY 2 9.605 -6.717 9.077 14 2H2* T 2 H2' THY 2 9.709 -6.648 6.369 15 H1* T 2 H1' THY 2 11.791 -7.784 6.061 16 H3 T 2 3H THY 2 11.228 -10.822 2.857 17 1H5M T 2 1H7 THY 2 8.391 -13.322 5.642 18 2H5M T 2 2H7 THY 2 7.177 -12.073 5.276 19 3H5M T 2 3H7 THY 2 7.911 -12.155 6.895 20 H6 T 2 6H THY 2 9.143 -10.169 7.098 21 2H5* T 3 H5' THY 3 13.356 -4.502 6.395 22 H4* T 3 H4' THY 3 14.289 -4.742 4.323 23 H3* T 3 H3' THY 3 12.200 -3.033 4.320 24 2H2* T 3 H2' THY 3 11.110 -3.857 1.983 25 H1* T 3 H1' THY 3 12.547 -5.727 1.566 26 H3 T 3 3H THY 3 10.161 -9.331 0.470 27 1H5M T 3 1H7 THY 3 8.430 -8.328 5.266 28 2H5M T 3 2H7 THY 3 7.323 -8.939 4.016 29 3H5M T 3 3H7 THY 3 7.409 -7.194 4.351 30 H6 T 3 6H THY 3 9.972 -6.318 4.163 31 2H5* A 4 H5' ADE 4 14.787 -2.824 -0.306 32 H4* A 4 H4' ADE 4 14.634 -4.037 -2.260 33 H3* A 4 H3' ADE 4 12.978 -1.908 -2.144 34 H1* A 4 H1' ADE 4 11.703 -5.336 -3.403 35 H8 A 4 8H ADE 4 10.380 -4.470 0.144 36 1H6 A 4 1H6 ADE 4 7.285 -8.196 0.547 37 2H6 A 4 2H6 ADE 4 6.906 -9.555 -0.486 38 H2 A 4 2H ADE 4 9.499 -9.184 -4.125 39 2H2* A 4 H2' ADE 4 10.833 -3.108 -3.278 40 2H5* G 5 H5' GUA 5 13.511 -4.075 -6.654 41 H4* G 5 H4' GUA 5 12.451 -5.532 -7.987 42 H3* G 5 H3' GUA 5 11.323 -3.120 -8.360 43 H1* G 5 H1' GUA 5 9.073 -6.233 -7.788 44 H8 G 5 8H GUA 5 9.354 -3.954 -4.665 45 H1 G 5 1H GUA 5 5.072 -8.717 -4.321 46 1H2 G 5 1H2 GUA 5 6.225 -9.578 -7.467 47 2H2 G 5 2H2 GUA 5 5.132 -9.933 -6.147 48 2H2* G 5 H2' GUA 5 8.745 -3.939 -8.373 49 2H5* G 6 H5' GUA 6 9.603 -6.640 -11.464 50 H4* G 6 H4' GUA 6 7.767 -7.831 -11.923 51 H3* G 6 H3' GUA 6 7.342 -5.339 -12.834 52 H1* G 6 H1' GUA 6 4.618 -7.095 -10.695 53 H8 G 6 8H GUA 6 6.534 -4.329 -8.781 54 H1 G 6 1H GUA 6 1.691 -7.102 -5.624 55 1H2 G 6 1H2 GUA 6 1.426 -9.132 -8.414 56 2H2 G 6 2H2 GUA 6 0.822 -8.721 -6.823 57 2H2* G 6 H2' GUA 6 4.802 -5.065 -11.941 58 2H5* G 7 H5' GUA 7 3.853 -8.732 -14.469 59 H4* G 7 H4' GUA 7 1.815 -9.459 -13.796 60 H3* G 7 H3' GUA 7 1.557 -7.305 -15.377 61 H1* G 7 H1' GUA 7 -0.388 -7.439 -12.006 62 H8 G 7 8H GUA 7 2.721 -5.125 -11.923 63 H1 G 7 1H GUA 7 -1.034 -5.011 -6.725 64 1H2 G 7 1H2 GUA 7 -2.851 -7.468 -8.351 65 2H2 G 7 2H2 GUA 7 -2.670 -6.462 -6.930 66 2H2* G 7 H2' GUA 7 -0.320 -6.013 -13.914 67 2H5* T 8 H5' THY 8 -2.707 -9.481 -13.935 68 H4* T 8 H4' THY 8 -4.344 -9.257 -12.354 69 H3* T 8 H3' THY 8 -4.929 -7.961 -14.647 70 2H2* T 8 H2' THY 8 -5.973 -5.739 -13.502 71 H1* T 8 H1' THY 8 -5.453 -6.221 -11.221 72 H3 T 8 3H THY 8 -3.732 -2.502 -9.478 73 1H5M T 8 1H7 THY 8 0.200 -4.025 -12.350 74 2H5M T 8 2H7 THY 8 -0.756 -3.470 -13.744 75 3H5M T 8 3H7 THY 8 -0.281 -2.316 -12.475 76 H6 T 8 6H THY 8 -2.319 -5.374 -13.016 77 2H5* T 9 H5' THY 9 -8.687 -8.539 -11.351 78 H4* T 9 H4' THY 9 -9.741 -7.378 -9.753 79 H3* T 9 H3' THY 9 -10.838 -6.687 -12.119 80 2H2* T 9 H2' THY 9 -11.012 -4.028 -11.634 81 H1* T 9 H1' THY 9 -9.834 -3.952 -9.554 82 H3 T 9 3H THY 9 -6.831 -0.664 -9.661 83 1H5M T 9 1H7 THY 9 -4.794 -3.757 -13.152 84 2H5M T 9 2H7 THY 9 -6.151 -3.300 -14.210 85 3H5M T 9 3H7 THY 9 -5.017 -2.058 -13.629 86 H6 T 9 6H THY 9 -7.567 -4.469 -12.442 87 2H5* A 10 H5' ADE 10 -13.173 -4.586 -8.060 88 H4* A 10 H4' ADE 10 -12.935 -2.571 -7.021 89 H3* A 10 H3' ADE 10 -14.749 -2.479 -9.057 90 H1* A 10 H1' ADE 10 -12.160 0.312 -8.446 91 H8 A 10 8H ADE 10 -11.333 -1.759 -11.628 92 1H6 A 10 1H6 ADE 10 -7.792 1.122 -13.299 93 2H6 A 10 2H6 ADE 10 -7.045 2.581 -12.686 94 H2 A 10 2H ADE 10 -9.054 3.528 -8.791 95 2H2* A 10 H2' ADE 10 -14.087 0.032 -9.853 96 2H5* G 11 H5' GUA 11 -15.075 1.516 -5.767 97 H4* G 11 H4' GUA 11 -14.057 3.559 -5.631 98 H3* G 11 H3' GUA 11 -16.358 3.634 -7.043 99 H1* G 11 H1' GUA 11 -13.180 5.410 -8.360 100 H8 G 11 8H GUA 11 -13.837 2.039 -10.170 101 H1 G 11 1H GUA 11 -9.442 5.884 -12.822 102 1H2 G 11 1H2 GUA 11 -10.118 7.993 -10.163 103 2H2 G 11 2H2 GUA 11 -9.198 7.708 -11.624 104 2H2* G 11 H2' GUA 11 -15.485 5.292 -8.996 105 2H5* G 12 H5' GUA 12 -15.038 8.473 -5.183 106 H4* G 12 H4' GUA 12 -13.240 9.696 -6.055 107 H3* G 12 H3' GUA 12 -15.735 10.517 -6.709 108 H1* G 12 H1' GUA 12 -12.940 10.305 -9.358 109 H8 G 12 8H GUA 12 -15.266 7.203 -9.559 110 H1 G 12 1H GUA 12 -11.606 8.348 -14.700 111 1H2 G 12 1H2 GUA 12 -10.475 11.085 -12.912 112 2H2 G 12 2H2 GUA 12 -10.392 10.148 -14.387 113 2H2* G 12 H2' GUA 12 -15.194 11.128 -9.287 114 2H5* G 13 H5' GUA 13 -12.243 14.416 -7.466 115 H4* G 13 H4' GUA 13 -10.697 14.726 -9.223 116 H3* G 13 H3' GUA 13 -12.889 16.274 -9.176 117 H1* G 13 H1' GUA 13 -11.880 14.511 -12.493 118 H8 G 13 8H GUA 13 -14.580 12.526 -10.535 119 H1 G 13 1H GUA 13 -13.921 11.061 -16.745 120 1H2 G 13 1H2 GUA 13 -11.483 13.517 -16.757 121 2H2 G 13 2H2 GUA 13 -12.368 12.312 -17.665 122 H3T G 13 H3T GUA 13 -10.545 16.199 -10.546 123 2H2* G 13 H2' GUA 13 -13.501 16.123 -11.807 124 2H5* C 14 H5' CYT 14 -12.718 9.253 -25.471 125 H4* C 14 H4' CYT 14 -11.404 11.012 -24.338 126 H3* C 14 H3' CYT 14 -10.873 8.381 -24.212 127 H1* C 14 H1' CYT 14 -11.080 10.456 -20.930 128 1H4 C 14 1H4 CYT 14 -16.611 8.356 -17.942 129 2H4 C 14 2H4 CYT 14 -15.825 9.489 -16.864 130 H5 C 14 5H CYT 14 -15.745 7.813 -20.137 131 H6 C 14 6H CYT 14 -13.952 8.243 -21.736 132 2H2* C 14 H2' CYT 14 -10.455 8.235 -21.540 133 H5T C 14 H5T CYT 14 -13.320 8.219 -23.413 134 2H5* C 15 H5' CYT 15 -7.063 11.312 -22.191 135 H4* C 15 H4' CYT 15 -6.789 12.159 -20.083 136 H3* C 15 H3' CYT 15 -5.531 9.797 -20.423 137 H1* C 15 H1' CYT 15 -7.672 10.437 -17.248 138 1H4 C 15 1H4 CYT 15 -12.950 6.475 -17.883 139 2H4 C 15 2H4 CYT 15 -12.957 7.114 -16.256 140 H5 C 15 5H CYT 15 -11.255 7.054 -19.516 141 H6 C 15 6H CYT 15 -9.233 8.359 -19.913 142 2H2* C 15 H2' CYT 15 -6.177 8.737 -18.012 143 2H5* C 16 H5' CYT 16 -4.323 12.447 -16.293 144 H4* C 16 H4' CYT 16 -5.040 12.466 -14.143 145 H3* C 16 H3' CYT 16 -2.868 10.907 -14.393 146 H1* C 16 H1' CYT 16 -5.978 9.542 -12.470 147 1H4 C 16 1H4 CYT 16 -8.542 4.964 -16.522 148 2H4 C 16 2H4 CYT 16 -9.223 4.709 -14.932 149 H5 C 16 5H CYT 16 -6.944 6.720 -17.003 150 H6 C 16 6H CYT 16 -5.679 8.581 -16.055 151 2H2* C 16 H2' CYT 16 -3.738 8.855 -12.846 152 2H5* T 17 H5' THY 17 -4.382 11.979 -9.650 153 H4* T 17 H4' THY 17 -5.788 10.960 -8.206 154 H3* T 17 H3' THY 17 -3.256 10.102 -7.796 155 2H2* T 17 H2' THY 17 -3.875 7.499 -7.381 156 H1* T 17 H1' THY 17 -6.208 7.607 -7.920 157 H3 T 17 3H THY 17 -7.209 4.203 -10.612 158 1H5M T 17 1H7 THY 17 -4.450 6.401 -13.950 159 2H5M T 17 2H7 THY 17 -3.119 6.898 -12.881 160 3H5M T 17 3H7 THY 17 -3.394 5.171 -13.214 161 H6 T 17 6H THY 17 -4.069 7.778 -10.944 162 2H5* A 18 H5' ADE 18 -6.601 8.311 -4.526 163 H4* A 18 H4' ADE 18 -7.316 6.570 -3.318 164 H3* A 18 H3' ADE 18 -4.670 6.660 -3.028 165 H1* A 18 H1' ADE 18 -6.218 3.213 -4.284 166 H8 A 18 8H ADE 18 -4.251 5.369 -6.790 167 1H6 A 18 1H6 ADE 18 -4.813 2.495 -10.669 168 2H6 A 18 2H6 ADE 18 -5.727 1.028 -10.954 169 H2 A 18 2H ADE 18 -7.872 0.078 -7.133 170 2H2* A 18 H2' ADE 18 -4.191 3.997 -3.444 171 2H5* A 19 H5' ADE 19 -7.308 3.071 -1.008 172 H4* A 19 H4' ADE 19 -7.955 0.986 -1.535 173 H3* A 19 H3' ADE 19 -5.649 0.836 -0.146 174 H1* A 19 H1' ADE 19 -6.094 -1.207 -3.423 175 H8 A 19 8H ADE 19 -3.829 1.918 -3.870 176 1H6 A 19 1H6 ADE 19 -2.230 0.851 -8.335 177 2H6 A 19 2H6 ADE 19 -2.561 -0.457 -9.446 178 H2 A 19 2H ADE 19 -5.527 -3.150 -7.427 179 2H2* A 19 H2' ADE 19 -4.485 -1.085 -1.665 180 2H5* C 20 H5' CYT 20 -7.819 -3.822 -0.730 181 H4* C 20 H4' CYT 20 -7.676 -5.669 -2.115 182 H3* C 20 H3' CYT 20 -6.008 -5.715 -0.012 183 H1* C 20 H1' CYT 20 -4.627 -6.548 -3.557 184 1H4 C 20 1H4 CYT 20 -0.857 -1.336 -5.168 185 2H4 C 20 2H4 CYT 20 -0.517 -2.616 -6.312 186 H5 C 20 5H CYT 20 -2.467 -1.572 -3.373 187 H6 C 20 6H CYT 20 -4.070 -3.079 -2.316 188 2H2* C 20 H2' CYT 20 -3.812 -6.609 -1.316 189 2H5* C 21 H5' CYT 21 -6.387 -10.257 -2.443 190 H4* C 21 H4' CYT 21 -5.217 -11.210 -4.134 191 H3* C 21 H3' CYT 21 -4.122 -11.849 -1.757 192 H1* C 21 H1' CYT 21 -1.860 -10.647 -4.671 193 1H4 C 21 1H4 CYT 21 0.292 -4.641 -2.860 194 2H4 C 21 2H4 CYT 21 1.163 -5.105 -4.303 195 H5 C 21 5H CYT 21 -1.409 -6.037 -1.844 196 H6 C 21 6H CYT 21 -2.614 -8.153 -2.011 197 2H2* C 21 H2' CYT 21 -1.533 -11.532 -2.475 198 2H5* C 22 H5' CYT 22 -1.940 -14.386 -5.574 199 H4* C 22 H4' CYT 22 -0.001 -14.524 -6.722 200 H3* C 22 H3' CYT 22 0.303 -15.667 -4.312 201 H1* C 22 H1' CYT 22 2.973 -13.141 -5.575 202 1H4 C 22 1H4 CYT 22 2.163 -7.751 -1.801 203 2H4 C 22 2H4 CYT 22 3.646 -7.546 -2.709 204 H5 C 22 5H CYT 22 0.745 -9.702 -2.020 205 H6 C 22 6H CYT 22 0.464 -11.846 -3.149 206 2H2* C 22 H2' CYT 22 2.725 -14.619 -3.718 207 2H5* T 23 H5' THY 23 4.087 -16.174 -7.491 208 H4* T 23 H4' THY 23 6.134 -15.363 -7.919 209 H3* T 23 H3' THY 23 6.380 -17.292 -6.061 210 2H2* T 23 H2' THY 23 8.135 -16.000 -4.454 211 H1* T 23 H1' THY 23 8.158 -13.875 -5.544 212 H3 T 23 3H THY 23 7.690 -10.681 -2.477 213 1H5M T 23 1H7 THY 23 3.505 -14.036 -1.921 214 2H5M T 23 2H7 THY 23 3.102 -12.304 -2.019 215 3H5M T 23 3H7 THY 23 4.011 -12.928 -0.623 216 H6 T 23 6H THY 23 4.967 -14.395 -3.723 217 2H5* A 24 H5' ADE 24 10.992 -15.913 -8.099 218 H4* A 24 H4' ADE 24 12.491 -14.286 -7.560 219 H3* A 24 H3' ADE 24 13.011 -16.583 -6.263 220 H1* A 24 H1' ADE 24 12.995 -13.230 -4.305 221 H8 A 24 H8 ADE 24 9.864 -15.413 -3.610 222 1H6 A 24 1H6 ADE 24 7.985 -12.653 -0.077 223 2H6 A 24 2H6 ADE 24 8.462 -11.125 0.632 224 H2 A 24 2H ADE 24 12.188 -9.817 -1.492 225 2H2* A 24 H2' ADE 24 13.561 -15.505 -3.842 226 2H5* A 25 H5' ADE 25 17.056 -13.242 -5.942 227 H4* A 25 H4' ADE 25 17.453 -11.482 -4.508 228 H3* A 25 H3' ADE 25 18.602 -13.791 -3.746 229 H1* A 25 H1' ADE 25 16.643 -11.662 -1.156 230 H8 A 25 H8 ADE 25 14.663 -14.785 -2.352 231 1H6 A 25 1H6 ADE 25 11.056 -14.469 0.893 232 2H6 A 25 2H6 ADE 25 10.682 -13.323 2.162 233 H2 A 25 2H ADE 25 13.909 -10.211 2.091 234 2H2* A 25 H2' ADE 25 18.026 -13.610 -1.108 235 2H5* C 26 H5' CYT 26 20.371 -9.729 -1.026 236 H4* C 26 H4' CYT 26 19.631 -8.671 0.893 237 H3* C 26 H3' CYT 26 21.583 -10.469 1.289 238 H1* C 26 H1' CYT 26 18.435 -10.554 3.578 239 1H4 C 26 1H4 CYT 26 15.133 -15.991 1.708 240 2H4 C 26 2H4 CYT 26 14.439 -15.438 3.214 241 H5 C 26 5H CYT 26 16.967 -14.852 0.609 242 H6 C 26 6H CYT 26 18.503 -12.961 0.735 243 H3T C 26 H3T CYT 26 21.933 -9.035 2.750 244 2H2* C 26 H2' CYT 26 20.553 -11.648 3.494 245 1H GLU 438 H GLU 438 -31.771 8.455 -8.926 246 HA GLU 438 HA GLU 438 -33.730 6.473 -8.229 247 1HB GLU 438 2HB GLU 438 -32.560 4.661 -9.561 248 2HB GLU 438 1HB GLU 438 -33.548 5.783 -10.489 249 1HG GLU 438 2HG GLU 438 -31.242 7.052 -10.726 250 2HG GLU 438 1HG GLU 438 -30.603 5.433 -10.435 251 H ASP 439 H ASP 439 -30.255 6.973 -8.819 252 HA ASP 439 HA ASP 439 -28.418 6.550 -7.548 253 1HB ASP 439 2HB ASP 439 -30.540 7.173 -5.580 254 2HB ASP 439 1HB ASP 439 -29.114 6.362 -4.941 255 H SER 440 H SER 440 -29.004 4.373 -8.768 256 HA SER 440 HA SER 440 -28.360 2.278 -6.907 257 1HB SER 440 2HB SER 440 -31.079 2.671 -7.492 258 2HB SER 440 1HB SER 440 -30.588 1.283 -8.463 259 HG SER 440 HG SER 440 -30.602 0.163 -6.700 260 H THR 441 H THR 441 -26.947 0.967 -7.859 261 HA THR 441 HA THR 441 -27.209 0.215 -10.632 262 HB THR 441 HB THR 441 -24.655 0.957 -10.868 263 HG1 THR 441 1HG THR 441 -24.327 2.938 -9.868 264 1HG2 THR 441 1HG2 THR 441 -25.324 2.504 -12.358 265 2HG2 THR 441 2HG2 THR 441 -26.478 3.240 -11.245 266 3HG2 THR 441 3HG2 THR 441 -26.892 1.747 -12.085 267 H THR 442 H THR 442 -24.426 0.394 -8.417 268 HA THR 442 HA THR 442 -24.347 -2.552 -8.442 269 HB THR 442 HB THR 442 -21.791 -1.985 -7.922 270 HG1 THR 442 1HG THR 442 -21.153 -0.106 -8.665 271 1HG2 THR 442 1HG2 THR 442 -21.245 -2.602 -10.057 272 2HG2 THR 442 2HG2 THR 442 -22.571 -1.693 -10.777 273 3HG2 THR 442 3HG2 THR 442 -22.896 -3.208 -9.938 274 H ASN 443 H ASN 443 -25.678 -0.763 -6.533 275 HA ASN 443 HA ASN 443 -25.977 -0.550 -4.284 276 1HB ASN 443 2HB ASN 443 -24.744 -3.149 -4.695 277 2HB ASN 443 1HB ASN 443 -24.335 -2.484 -3.116 278 1HD2 ASN 443 1HD2 ASN 443 -26.165 -1.690 -1.813 279 2HD2 ASN 443 2HD2 ASN 443 -27.657 -2.556 -1.894 280 H ILE 444 H ILE 444 -24.648 -0.431 -2.100 281 HA ILE 444 HA ILE 444 -22.598 1.544 -2.575 282 HB ILE 444 HB ILE 444 -22.546 1.694 -0.063 283 1HG1 ILE 444 2HG1 ILE 444 -25.130 0.232 0.045 284 2HG1 ILE 444 1HG1 ILE 444 -23.671 -0.747 -0.047 285 1HG2 ILE 444 1HG2 ILE 444 -23.909 3.148 -1.560 286 2HG2 ILE 444 2HG2 ILE 444 -24.568 2.962 0.065 287 3HG2 ILE 444 3HG2 ILE 444 -25.275 2.067 -1.280 288 1HD1 ILE 444 1HD1 ILE 444 -23.705 1.434 1.948 289 2HD1 ILE 444 2HD1 ILE 444 -22.993 -0.177 2.036 290 3HD1 ILE 444 3HD1 ILE 444 -24.731 0.032 2.252 291 H THR 445 H THR 445 -20.937 0.287 -3.471 292 HA THR 445 HA THR 445 -19.179 -0.880 -1.508 293 HB THR 445 HB THR 445 -18.969 -2.909 -3.274 294 HG1 THR 445 1HG THR 445 -21.741 -2.336 -3.186 295 1HG2 THR 445 1HG2 THR 445 -20.267 -2.584 -0.706 296 2HG2 THR 445 2HG2 THR 445 -19.270 -3.904 -1.318 297 3HG2 THR 445 3HG2 THR 445 -20.996 -3.863 -1.677 298 H LYS 446 H LYS 446 -17.798 0.826 -2.128 299 HA LYS 446 HA LYS 446 -16.879 0.832 -4.903 300 1HB LYS 446 2HB LYS 446 -15.646 2.947 -4.100 301 2HB LYS 446 1HB LYS 446 -17.394 3.015 -4.270 302 1HG LYS 446 2HG LYS 446 -16.506 2.203 -1.608 303 2HG LYS 446 1HG LYS 446 -15.983 3.822 -2.080 304 1HD LYS 446 2HD LYS 446 -18.586 3.824 -2.892 305 2HD LYS 446 1HD LYS 446 -18.663 2.813 -1.446 306 1HE LYS 446 2HE LYS 446 -17.799 4.523 -0.078 307 2HE LYS 446 1HE LYS 446 -17.260 5.469 -1.464 308 1HZ LYS 446 1HZ LYS 446 -19.483 6.004 -0.156 309 2HZ LYS 446 2HZ LYS 446 -20.115 4.909 -1.279 310 3HZ LYS 446 3HZ LYS 446 -19.317 6.301 -1.814 311 H LYS 447 H LYS 447 -14.554 2.112 -2.760 312 HA LYS 447 HA LYS 447 -13.007 -0.389 -2.871 313 1HB LYS 447 2HB LYS 447 -12.443 2.087 -4.147 314 2HB LYS 447 1HB LYS 447 -11.267 1.887 -2.857 315 1HG LYS 447 2HG LYS 447 -11.820 -0.313 -4.813 316 2HG LYS 447 1HG LYS 447 -10.688 0.991 -5.178 317 1HD LYS 447 2HD LYS 447 -9.800 0.306 -2.745 318 2HD LYS 447 1HD LYS 447 -10.460 -1.249 -3.260 319 1HE LYS 447 2HE LYS 447 -8.422 0.413 -4.741 320 2HE LYS 447 1HE LYS 447 -8.104 -1.075 -3.849 321 1HZ LYS 447 1HZ LYS 447 -9.554 -0.727 -6.397 322 2HZ LYS 447 2HZ LYS 447 -9.813 -2.095 -5.437 323 3HZ LYS 447 3HZ LYS 447 -8.267 -1.766 -6.039 324 H GLN 448 H GLN 448 -11.320 -0.571 -1.244 325 HA GLN 448 HA GLN 448 -12.102 0.768 1.255 326 1HB GLN 448 2HB GLN 448 -11.612 -1.945 0.634 327 2HB GLN 448 1HB GLN 448 -10.282 -1.426 1.659 328 1HG GLN 448 2HG GLN 448 -11.968 -0.563 3.282 329 2HG GLN 448 1HG GLN 448 -13.218 -1.307 2.286 330 1HE2 GLN 448 1HE2 GLN 448 -10.828 -1.788 4.669 331 2HE2 GLN 448 2HE2 GLN 448 -11.048 -3.489 4.881 332 H LYS 449 H LYS 449 -10.889 2.666 0.754 333 HA LYS 449 HA LYS 449 -8.042 2.472 0.367 334 1HB LYS 449 2HB LYS 449 -8.158 4.987 0.524 335 2HB LYS 449 1HB LYS 449 -9.117 4.265 -0.761 336 1HG LYS 449 2HG LYS 449 -10.595 4.591 1.728 337 2HG LYS 449 1HG LYS 449 -9.999 6.111 1.060 338 1HD LYS 449 2HD LYS 449 -11.441 6.051 -0.657 339 2HD LYS 449 1HD LYS 449 -11.168 4.331 -0.943 340 1HE LYS 449 2HE LYS 449 -13.269 4.093 -0.195 341 2HE LYS 449 1HE LYS 449 -12.544 4.274 1.401 342 1HZ LYS 449 1HZ LYS 449 -13.400 6.326 1.657 343 2HZ LYS 449 2HZ LYS 449 -14.542 5.781 0.534 344 3HZ LYS 449 3HZ LYS 449 -13.242 6.737 0.024 345 H TRP 450 H TRP 450 -6.571 3.818 1.747 346 HA TRP 450 HA TRP 450 -6.679 2.883 4.431 347 1HB TRP 450 2HB TRP 450 -4.832 4.676 2.885 348 2HB TRP 450 1HB TRP 450 -4.650 4.504 4.627 349 HD1 TRP 450 HD TRP 450 -5.592 1.517 2.411 350 HE1 TRP 450 1HE TRP 450 -3.658 -0.181 2.475 351 HE3 TRP 450 3HE TRP 450 -2.171 4.284 5.010 352 HZ2 TRP 450 2HZ TRP 450 -1.025 -0.325 3.494 353 HZ3 TRP 450 3HZ TRP 450 0.029 3.296 5.489 354 HH2 TRP 450 HH TRP 450 0.588 1.039 4.746 355 H THR 451 H THR 451 -6.220 4.457 6.283 356 HA THR 451 HA THR 451 -8.333 6.457 6.280 357 HB THR 451 HB THR 451 -7.214 6.513 8.797 358 HG1 THR 451 1HG THR 451 -6.816 4.367 9.336 359 1HG2 THR 451 1HG2 THR 451 -9.614 5.547 7.616 360 2HG2 THR 451 2HG2 THR 451 -9.323 6.083 9.272 361 3HG2 THR 451 3HG2 THR 451 -9.066 4.395 8.833 362 H VAL 452 H VAL 452 -7.748 8.471 7.712 363 HA VAL 452 HA VAL 452 -5.622 9.824 6.308 364 HB VAL 452 HB VAL 452 -7.351 10.916 8.529 365 1HG1 VAL 452 1HG1 VAL 452 -5.433 12.295 8.122 366 2HG1 VAL 452 2HG1 VAL 452 -6.841 13.084 7.411 367 3HG1 VAL 452 3HG1 VAL 452 -5.698 12.229 6.378 368 1HG2 VAL 452 1HG2 VAL 452 -9.035 10.517 7.086 369 2HG2 VAL 452 2HG2 VAL 452 -7.951 10.336 5.707 370 3HG2 VAL 452 3HG2 VAL 452 -8.409 11.946 6.264 371 H GLU 453 H GLU 453 -5.944 8.163 9.281 372 HA GLU 453 HA GLU 453 -3.807 9.599 10.611 373 1HB GLU 453 2HB GLU 453 -5.573 7.286 11.342 374 2HB GLU 453 1HB GLU 453 -4.133 7.640 12.290 375 1HG GLU 453 2HG GLU 453 -5.315 10.091 12.129 376 2HG GLU 453 1HG GLU 453 -6.708 9.015 12.191 377 H GLU 454 H GLU 454 -4.325 6.333 9.298 378 HA GLU 454 HA GLU 454 -1.843 5.246 9.885 379 1HB GLU 454 2HB GLU 454 -3.679 4.735 7.544 380 2HB GLU 454 1HB GLU 454 -2.263 3.753 7.903 381 1HG GLU 454 2HG GLU 454 -3.392 3.553 10.261 382 2HG GLU 454 1HG GLU 454 -4.849 3.958 9.353 383 H SER 455 H SER 455 -2.812 7.267 7.161 384 HA SER 455 HA SER 455 -0.385 6.997 5.716 385 1HB SER 455 2HB SER 455 -2.638 8.996 5.616 386 2HB SER 455 1HB SER 455 -1.209 9.159 4.594 387 HG SER 455 HG SER 455 -2.721 6.772 4.696 388 H GLU 456 H GLU 456 -1.479 9.184 8.233 389 HA GLU 456 HA GLU 456 0.531 11.129 8.009 390 1HB GLU 456 2HB GLU 456 -1.181 10.200 10.300 391 2HB GLU 456 1HB GLU 456 0.044 11.442 10.527 392 1HG GLU 456 2HG GLU 456 -1.447 12.175 8.255 393 2HG GLU 456 1HG GLU 456 -2.601 11.681 9.489 394 H TRP 457 H TRP 457 0.418 8.075 9.773 395 HA TRP 457 HA TRP 457 2.871 8.388 11.140 396 1HB TRP 457 2HB TRP 457 1.576 5.781 10.331 397 2HB TRP 457 1HB TRP 457 2.678 6.053 11.677 398 HD1 TRP 457 HD TRP 457 1.082 8.788 12.620 399 HE1 TRP 457 1HE TRP 457 -1.095 8.466 13.959 400 HE3 TRP 457 3HE TRP 457 -0.002 3.981 11.264 401 HZ2 TRP 457 2HZ TRP 457 -3.018 6.440 14.382 402 HZ3 TRP 457 3HZ TRP 457 -2.030 2.928 12.172 403 HH2 TRP 457 HH TRP 457 -3.505 4.133 13.698 404 H VAL 458 H VAL 458 2.030 7.154 7.970 405 HA VAL 458 HA VAL 458 4.545 5.962 7.395 406 HB VAL 458 HB VAL 458 2.169 6.748 5.756 407 1HG1 VAL 458 1HG1 VAL 458 4.889 6.078 4.666 408 2HG1 VAL 458 2HG1 VAL 458 3.827 7.417 4.231 409 3HG1 VAL 458 3HG1 VAL 458 3.410 5.771 3.757 410 1HG2 VAL 458 1HG2 VAL 458 3.667 4.161 6.142 411 2HG2 VAL 458 2HG2 VAL 458 2.189 4.365 5.203 412 3HG2 VAL 458 3HG2 VAL 458 2.170 4.626 6.946 413 H LYS 459 H LYS 459 3.224 9.191 6.940 414 HA LYS 459 HA LYS 459 5.317 10.149 5.275 415 1HB LYS 459 2HB LYS 459 3.004 11.187 5.597 416 2HB LYS 459 1HB LYS 459 3.630 11.862 7.097 417 1HG LYS 459 2HG LYS 459 4.212 13.609 5.847 418 2HG LYS 459 1HG LYS 459 5.549 12.595 5.299 419 1HD LYS 459 2HD LYS 459 4.586 12.184 3.271 420 2HD LYS 459 1HD LYS 459 2.944 12.316 3.903 421 1HE LYS 459 2HE LYS 459 2.827 14.515 3.474 422 2HE LYS 459 1HE LYS 459 4.476 14.806 4.026 423 1HZ LYS 459 1HZ LYS 459 5.301 14.582 1.958 424 2HZ LYS 459 2HZ LYS 459 3.730 14.999 1.488 425 3HZ LYS 459 3HZ LYS 459 4.204 13.375 1.513 426 H ALA 460 H ALA 460 4.742 10.313 8.769 427 HA ALA 460 HA ALA 460 7.236 11.707 9.227 428 1HB ALA 460 1HB ALA 460 6.622 11.736 11.536 429 2HB ALA 460 2HB ALA 460 5.386 10.503 11.279 430 3HB ALA 460 3HB ALA 460 5.184 12.114 10.588 431 H GLY 461 H GLY 461 6.061 8.431 9.284 432 1HA GLY 461 2HA GLY 461 8.036 7.266 10.919 433 2HA GLY 461 1HA GLY 461 7.107 6.427 9.686 434 H VAL 462 H VAL 462 7.939 7.724 7.396 435 HA VAL 462 HA VAL 462 10.572 6.575 7.078 436 HB VAL 462 HB VAL 462 8.964 8.061 5.002 437 1HG1 VAL 462 1HG1 VAL 462 10.336 7.053 3.401 438 2HG1 VAL 462 2HG1 VAL 462 10.950 5.859 4.546 439 3HG1 VAL 462 3HG1 VAL 462 11.452 7.543 4.677 440 1HG2 VAL 462 1HG2 VAL 462 8.579 5.400 6.180 441 2HG2 VAL 462 2HG2 VAL 462 8.617 5.430 4.418 442 3HG2 VAL 462 3HG2 VAL 462 7.451 6.423 5.292 443 H GLN 463 H GLU 463 9.170 9.741 7.393 444 HA GLN 463 HA GLU 463 11.398 11.190 6.352 445 1HB GLN 463 2HB GLU 463 9.055 12.080 6.516 446 2HB GLN 463 1HB GLU 463 9.283 12.201 8.257 447 1HG GLN 463 2HG GLU 463 9.951 14.281 7.825 448 2HG GLN 463 1HG GLU 463 11.465 13.531 7.322 449 H LYS 464 H LYS 464 10.752 9.655 9.356 450 HA LYS 464 HA LYS 464 12.927 11.156 10.648 451 1HB LYS 464 2HB LYS 464 10.512 9.745 11.685 452 2HB LYS 464 1HB LYS 464 11.938 9.828 12.712 453 1HG LYS 464 2HG LYS 464 11.610 12.420 11.775 454 2HG LYS 464 1HG LYS 464 9.973 11.857 12.110 455 1HD LYS 464 2HD LYS 464 10.316 11.799 14.337 456 2HD LYS 464 1HD LYS 464 11.961 11.182 14.169 457 1HE LYS 464 2HE LYS 464 12.644 13.487 13.448 458 2HE LYS 464 1HE LYS 464 11.028 14.033 13.895 459 1HZ LYS 464 1HZ LYS 464 12.460 12.519 15.918 460 2HZ LYS 464 2HZ LYS 464 11.492 13.896 16.078 461 3HZ LYS 464 3HZ LYS 464 13.096 14.047 15.563 462 H TYR 465 H TYR 465 11.666 7.850 10.253 463 HA TYR 465 HA TYR 465 14.177 6.729 11.180 464 1HB TYR 465 2HB TYR 465 11.624 5.426 10.212 465 2HB TYR 465 1HB TYR 465 13.034 4.539 10.783 466 HD1 TYR 465 1HD TYR 465 10.063 6.348 11.733 467 HD2 TYR 465 2HD TYR 465 13.759 4.809 13.174 468 HE1 TYR 465 1HE TYR 465 9.230 6.520 14.040 469 HE2 TYR 465 2HE TYR 465 12.934 4.975 15.484 470 HH TYR 465 HH TYR 465 10.063 6.663 16.293 471 H GLY 466 H GLY 466 12.284 6.854 8.180 472 1HA GLY 466 2HA GLY 466 13.618 7.226 6.128 473 2HA GLY 466 1HA GLY 466 14.725 6.007 6.743 474 H GLU 467 H GLU 467 14.082 5.388 4.369 475 HA GLU 467 HA GLU 467 11.599 3.878 4.251 476 1HB GLU 467 2HB GLU 467 12.896 5.315 2.367 477 2HB GLU 467 1HB GLU 467 13.536 3.713 2.019 478 1HG GLU 467 2HG GLU 467 11.057 2.980 2.060 479 2HG GLU 467 1HG GLU 467 10.721 4.700 1.857 480 H GLY 468 H GLY 468 11.459 1.655 3.986 481 1HA GLY 468 2HA GLY 468 12.340 -0.526 3.721 482 2HA GLY 468 1HA GLY 468 13.934 0.096 4.113 483 H ASN 469 H ASN 469 12.398 1.552 6.425 484 HA ASN 469 HA ASN 469 12.652 -0.714 8.273 485 1HB ASN 469 2HB ASN 469 13.392 2.100 8.410 486 2HB ASN 469 1HB ASN 469 12.449 1.598 9.811 487 1HD2 ASN 469 1HD2 ASN 469 13.346 0.291 11.310 488 2HD2 ASN 469 2HD2 ASN 469 14.985 -0.253 11.263 489 H TRP 470 H TRP 470 10.473 -1.370 7.487 490 HA TRP 470 HA TRP 470 8.244 0.251 8.402 491 1HB TRP 470 2HB TRP 470 8.052 -2.548 7.305 492 2HB TRP 470 1HB TRP 470 6.839 -1.275 7.270 493 HD1 TRP 470 HD TRP 470 8.906 -2.985 4.943 494 HE1 TRP 470 1HE TRP 470 9.501 -1.546 2.892 495 HE3 TRP 470 3HE TRP 470 7.687 1.620 6.800 496 HZ2 TRP 470 2HZ TRP 470 9.460 1.179 2.161 497 HZ3 TRP 470 3HZ TRP 470 7.996 3.591 5.359 498 HH2 TRP 470 HH TRP 470 8.865 3.375 3.088 499 H ALA 471 H ALA 471 9.984 -2.629 9.344 500 HA ALA 471 HA ALA 471 8.194 -3.741 11.165 501 1HB ALA 471 1HB ALA 471 10.139 -4.804 12.205 502 2HB ALA 471 2HB ALA 471 11.209 -3.724 11.313 503 3HB ALA 471 3HB ALA 471 10.215 -4.897 10.445 504 H ALA 472 H ALA 472 10.725 -1.304 11.717 505 HA ALA 472 HA ALA 472 10.287 -1.023 14.486 506 1HB ALA 472 1HB ALA 472 11.394 1.014 12.553 507 2HB ALA 472 2HB ALA 472 12.324 -0.225 13.398 508 3HB ALA 472 3HB ALA 472 11.540 1.064 14.309 509 H ILE 473 H ILE 473 8.942 0.721 11.709 510 HA ILE 473 HA ILE 473 7.551 2.704 13.084 511 HB ILE 473 HB ILE 473 6.709 1.335 10.526 512 1HG1 ILE 473 2HG1 ILE 473 8.275 3.898 10.856 513 2HG1 ILE 473 1HG1 ILE 473 9.035 2.336 10.583 514 1HG2 ILE 473 1HG2 ILE 473 5.857 3.902 10.324 515 2HG2 ILE 473 2HG2 ILE 473 5.629 3.605 12.047 516 3HG2 ILE 473 3HG2 ILE 473 4.850 2.556 10.861 517 1HD1 ILE 473 1HD1 ILE 473 8.252 4.112 8.650 518 2HD1 ILE 473 2HD1 ILE 473 6.947 2.925 8.649 519 3HD1 ILE 473 3HD1 ILE 473 8.616 2.406 8.402 520 H SER 474 H SER 474 6.337 -0.460 11.970 521 HA SER 474 HA SER 474 3.808 -0.184 13.221 522 1HB SER 474 2HB SER 474 4.230 -1.728 11.327 523 2HB SER 474 1HB SER 474 5.215 -2.733 12.388 524 HG SER 474 HG SER 474 3.442 -3.629 13.029 525 H LYS 475 H LYS 475 6.869 -0.801 14.514 526 HA LYS 475 HA LYS 475 5.843 -2.304 16.793 527 1HB LYS 475 2HB LYS 475 8.106 -2.695 15.515 528 2HB LYS 475 1HB LYS 475 8.684 -1.402 16.557 529 1HG LYS 475 2HG LYS 475 7.877 -2.743 18.514 530 2HG LYS 475 1HG LYS 475 7.568 -4.066 17.387 531 1HD LYS 475 2HD LYS 475 9.812 -4.409 16.965 532 2HD LYS 475 1HD LYS 475 10.255 -2.765 17.428 533 1HE LYS 475 2HE LYS 475 9.071 -4.249 19.624 534 2HE LYS 475 1HE LYS 475 10.511 -5.041 18.981 535 1HZ LYS 475 1HZ LYS 475 11.325 -2.499 19.120 536 2HZ LYS 475 2HZ LYS 475 11.560 -3.632 20.354 537 3HZ LYS 475 3HZ LYS 475 10.263 -2.550 20.438 538 H ASN 476 H ASN 476 6.608 0.924 15.906 539 HA ASN 476 HA ASN 476 6.600 1.733 18.740 540 1HB ASN 476 2HB ASN 476 8.525 2.314 16.955 541 2HB ASN 476 1HB ASN 476 7.444 3.676 16.666 542 1HD2 ASN 476 1HD2 ASN 476 9.132 1.926 19.226 543 2HD2 ASN 476 2HD2 ASN 476 9.376 3.299 20.247 544 H TYR 477 H TYR 477 5.056 2.134 15.644 545 HA TYR 477 HA TYR 477 3.338 4.256 16.704 546 1HB TYR 477 2HB TYR 477 3.953 3.256 13.953 547 2HB TYR 477 1HB TYR 477 2.426 4.085 14.239 548 HD1 TYR 477 1HD TYR 477 2.344 6.443 14.545 549 HD2 TYR 477 2HD TYR 477 6.102 4.458 14.340 550 HE1 TYR 477 1HE TYR 477 3.474 8.616 14.332 551 HE2 TYR 477 2HE TYR 477 7.242 6.624 14.128 552 HH TYR 477 HH TYR 477 6.520 9.007 13.255 553 HA PRO 478 HA PRO 478 -0.149 1.637 17.340 554 1HB PRO 478 2HB PRO 478 -2.220 3.226 16.665 555 2HB PRO 478 1HB PRO 478 -1.224 3.541 18.088 556 1HG PRO 478 2HG PRO 478 -1.091 4.793 15.374 557 2HG PRO 478 1HG PRO 478 -1.013 5.571 16.966 558 1HD PRO 478 2HD PRO 478 1.193 5.038 15.479 559 2HD PRO 478 1HD PRO 478 1.207 5.037 17.254 560 H PHE 479 H PHE 479 1.011 0.808 15.003 561 HA PHE 479 HA PHE 479 -1.012 0.849 12.917 562 1HB PHE 479 2HB PHE 479 1.844 0.362 13.040 563 2HB PHE 479 1HB PHE 479 1.019 -0.909 12.139 564 HD1 PHE 479 1HD PHE 479 2.646 2.099 11.793 565 HD2 PHE 479 2HD PHE 479 -0.897 0.116 10.516 566 HE1 PHE 479 1HE PHE 479 2.529 3.580 9.830 567 HE2 PHE 479 2HE PHE 479 -1.020 1.592 8.552 568 HZ PHE 479 HZ PHE 479 0.693 3.327 8.208 569 H VAL 480 H VAL 480 -2.116 -0.974 12.161 570 HA VAL 480 HA VAL 480 -1.697 -3.563 13.339 571 HB VAL 480 HB VAL 480 -4.123 -3.685 14.150 572 1HG1 VAL 480 1HG1 VAL 480 -1.840 -3.341 15.473 573 2HG1 VAL 480 2HG1 VAL 480 -3.404 -3.390 16.285 574 3HG1 VAL 480 3HG1 VAL 480 -2.641 -1.838 15.934 575 1HG2 VAL 480 1HG2 VAL 480 -4.817 -1.537 13.127 576 2HG2 VAL 480 2HG2 VAL 480 -3.785 -0.689 14.277 577 3HG2 VAL 480 3HG2 VAL 480 -5.164 -1.625 14.853 578 H ASN 481 H ASN 481 -2.923 -5.218 12.322 579 HA ASN 481 HA ASN 481 -3.861 -6.255 10.522 580 1HB ASN 481 2HB ASN 481 -5.649 -4.250 11.332 581 2HB ASN 481 1HB ASN 481 -5.573 -4.124 9.578 582 1HD2 ASN 481 1HD2 ASN 481 -6.873 -5.778 12.200 583 2HD2 ASN 481 2HD2 ASN 481 -7.610 -7.079 11.339 584 H ARG 482 H ARG 482 -1.472 -4.648 10.125 585 HA ARG 482 HA ARG 482 -1.545 -4.549 7.237 586 1HB ARG 482 2HB ARG 482 -1.555 -2.117 8.888 587 2HB ARG 482 1HB ARG 482 -0.278 -2.158 7.679 588 1HG ARG 482 2HG ARG 482 -1.732 -2.046 5.934 589 2HG ARG 482 1HG ARG 482 -3.019 -2.879 6.809 590 1HD ARG 482 2HD ARG 482 -2.132 -0.144 7.640 591 2HD ARG 482 1HD ARG 482 -3.259 -0.350 6.301 592 HE ARG 482 HE ARG 482 -3.800 -0.723 9.101 593 1HH1 ARG 482 1HH1 ARG 482 -4.793 -1.539 5.856 594 2HH1 ARG 482 2HH1 ARG 482 -6.422 -1.904 6.314 595 1HH2 ARG 482 1HH2 ARG 482 -5.942 -1.204 9.704 596 2HH2 ARG 482 2HH2 ARG 482 -7.075 -1.714 8.498 597 H THR 483 H THR 483 0.200 -5.629 6.641 598 HA THR 483 HA THR 483 2.501 -5.780 8.413 599 HB THR 483 HB THR 483 3.155 -7.298 6.231 600 HG1 THR 483 1HG THR 483 1.286 -8.347 5.579 601 1HG2 THR 483 1HG2 THR 483 1.497 -8.151 8.589 602 2HG2 THR 483 2HG2 THR 483 3.258 -8.136 8.484 603 3HG2 THR 483 3HG2 THR 483 2.322 -9.243 7.478 604 H ALA 484 H ALA 484 4.696 -5.876 7.166 605 HA ALA 484 HA ALA 484 5.279 -3.291 6.273 606 1HB ALA 484 1HB ALA 484 7.474 -4.178 5.628 607 2HB ALA 484 2HB ALA 484 6.868 -5.821 5.836 608 3HB ALA 484 3HB ALA 484 6.984 -4.742 7.227 609 H VAL 485 H VAL 485 4.137 -6.070 4.551 610 HA VAL 485 HA VAL 485 4.988 -5.398 1.955 611 HB VAL 485 HB VAL 485 2.508 -6.918 2.783 612 1HG1 VAL 485 1HG1 VAL 485 3.713 -6.296 0.162 613 2HG1 VAL 485 2HG1 VAL 485 2.039 -6.652 0.587 614 3HG1 VAL 485 3HG1 VAL 485 3.200 -7.967 0.404 615 1HG2 VAL 485 1HG2 VAL 485 4.328 -8.748 1.870 616 2HG2 VAL 485 2HG2 VAL 485 4.006 -8.390 3.566 617 3HG2 VAL 485 3HG2 VAL 485 5.351 -7.604 2.737 618 H MET 486 H MET 486 1.893 -4.765 3.608 619 HA MET 486 HA MET 486 0.743 -3.288 1.500 620 1HB MET 486 2HB MET 486 0.189 -3.470 4.449 621 2HB MET 486 1HB MET 486 -0.698 -2.341 3.432 622 1HG MET 486 2HG MET 486 -0.793 -4.787 2.087 623 2HG MET 486 1HG MET 486 -1.065 -5.167 3.787 624 1HE MET 486 1HE MET 486 -4.102 -5.771 2.417 625 2HE MET 486 2HE MET 486 -2.698 -5.639 1.358 626 3HE MET 486 3HE MET 486 -4.116 -4.632 1.068 627 H ILE 487 H ILE 487 2.692 -2.334 4.281 628 HA ILE 487 HA ILE 487 2.403 0.464 3.926 629 HB ILE 487 HB ILE 487 4.682 -1.000 5.263 630 1HG1 ILE 487 2HG1 ILE 487 2.311 0.175 6.686 631 2HG1 ILE 487 1HG1 ILE 487 2.234 -1.456 6.025 632 1HG2 ILE 487 1HG2 ILE 487 4.055 1.807 4.881 633 2HG2 ILE 487 2HG2 ILE 487 5.538 1.048 5.455 634 3HG2 ILE 487 3HG2 ILE 487 4.226 1.386 6.584 635 1HD1 ILE 487 1HD1 ILE 487 2.827 -1.455 8.387 636 2HD1 ILE 487 2HD1 ILE 487 4.247 -0.473 8.032 637 3HD1 ILE 487 3HD1 ILE 487 4.129 -2.112 7.395 638 H LYS 488 H LYS 488 4.502 -1.934 2.514 639 HA LYS 488 HA LYS 488 6.391 -0.044 1.459 640 1HB LYS 488 2HB LYS 488 7.051 -2.351 1.962 641 2HB LYS 488 1HB LYS 488 5.918 -2.946 0.757 642 1HG LYS 488 2HG LYS 488 7.964 -3.017 -0.330 643 2HG LYS 488 1HG LYS 488 7.246 -1.509 -0.905 644 1HD LYS 488 2HD LYS 488 8.563 -0.637 1.295 645 2HD LYS 488 1HD LYS 488 9.613 -1.961 0.787 646 1HE LYS 488 2HE LYS 488 9.267 -0.821 -1.584 647 2HE LYS 488 1HE LYS 488 8.975 0.598 -0.581 648 1HZ LYS 488 1HZ LYS 488 11.151 -0.031 0.552 649 2HZ LYS 488 2HZ LYS 488 11.248 0.632 -1.001 650 3HZ LYS 488 3HZ LYS 488 11.428 -1.034 -0.783 651 H ASP 489 H ASP 489 3.452 -1.572 0.351 652 HA ASP 489 HA ASP 489 3.794 -0.855 -2.401 653 1HB ASP 489 2HB ASP 489 2.313 -2.733 -1.337 654 2HB ASP 489 1HB ASP 489 1.119 -1.448 -1.185 655 H ARG 490 H ARG 490 2.399 0.649 0.415 656 HA ARG 490 HA ARG 490 0.868 2.602 -0.986 657 1HB ARG 490 2HB ARG 490 0.884 1.763 1.571 658 2HB ARG 490 1HB ARG 490 1.859 3.217 1.742 659 1HG ARG 490 2HG ARG 490 -0.403 3.867 0.159 660 2HG ARG 490 1HG ARG 490 -0.961 2.977 1.577 661 1HD ARG 490 2HD ARG 490 0.553 4.553 2.919 662 2HD ARG 490 1HD ARG 490 0.599 5.541 1.459 663 HE ARG 490 HE ARG 490 -1.544 5.344 3.320 664 1HH1 ARG 490 1HH1 ARG 490 -0.837 5.792 -0.069 665 2HH1 ARG 490 2HH1 ARG 490 -2.306 6.648 -0.389 666 1HH2 ARG 490 1HH2 ARG 490 -3.480 6.469 2.897 667 2HH2 ARG 490 2HH2 ARG 490 -3.807 7.033 1.293 668 H TRP 491 H TRP 491 3.983 2.778 0.748 669 HA TRP 491 HA TRP 491 4.548 5.445 0.104 670 1HB TRP 491 2HB TRP 491 5.712 3.917 1.809 671 2HB TRP 491 1HB TRP 491 6.671 3.338 0.452 672 HD1 TRP 491 HD TRP 491 8.963 4.462 0.535 673 HE1 TRP 491 1HE TRP 491 9.845 6.833 1.008 674 HE3 TRP 491 3HE TRP 491 4.541 6.760 1.673 675 HZ2 TRP 491 2HZ TRP 491 8.802 9.345 1.766 676 HZ3 TRP 491 3HZ TRP 491 4.569 9.148 2.262 677 HH2 TRP 491 HH TRP 491 6.657 10.414 2.307 678 H ARG 492 H ARG 492 4.962 2.495 -1.708 679 HA ARG 492 HA ARG 492 6.696 3.644 -3.682 680 1HB ARG 492 2HB ARG 492 5.641 1.036 -3.056 681 2HB ARG 492 1HB ARG 492 5.448 1.367 -4.770 682 1HG ARG 492 2HG ARG 492 8.080 2.033 -3.635 683 2HG ARG 492 1HG ARG 492 7.668 0.317 -3.679 684 1HD ARG 492 2HD ARG 492 7.234 2.012 -6.100 685 2HD ARG 492 1HD ARG 492 8.854 1.437 -5.717 686 HE ARG 492 HE ARG 492 7.170 -0.762 -5.593 687 1HH1 ARG 492 1HH1 ARG 492 8.249 1.533 -7.992 688 2HH1 ARG 492 2HH1 ARG 492 8.097 0.419 -9.308 689 1HH2 ARG 492 1HH2 ARG 492 6.967 -2.227 -7.323 690 2HH2 ARG 492 2HH2 ARG 492 7.367 -1.716 -8.928 691 H THR 493 H THR 493 3.270 3.467 -3.200 692 HA THR 493 HA THR 493 2.554 3.903 -5.937 693 HB THR 493 HB THR 493 1.143 2.897 -3.970 694 HG1 THR 493 1HG THR 493 0.111 2.914 -5.835 695 1HG2 THR 493 1HG2 THR 493 0.010 4.220 -2.578 696 2HG2 THR 493 2HG2 THR 493 -0.264 5.451 -3.809 697 3HG2 THR 493 3HG2 THR 493 1.265 5.405 -2.932 698 H MET 494 H MET 494 3.309 5.927 -3.204 699 HA MET 494 HA MET 494 2.339 8.333 -4.499 700 1HB MET 494 2HB MET 494 3.574 7.705 -1.844 701 2HB MET 494 1HB MET 494 3.546 9.366 -2.416 702 1HG MET 494 2HG MET 494 0.989 8.750 -2.831 703 2HG MET 494 1HG MET 494 1.334 7.628 -1.517 704 1HE MET 494 1HE MET 494 0.374 8.170 0.440 705 2HE MET 494 2HE MET 494 0.571 9.635 1.401 706 3HE MET 494 3HE MET 494 1.952 8.574 1.117 707 H LYS 495 H LYS 495 5.398 6.726 -3.866 708 HA LYS 495 HA LYS 495 6.969 8.945 -4.830 709 1HB LYS 495 2HB LYS 495 7.609 6.159 -3.909 710 2HB LYS 495 1HB LYS 495 8.822 7.124 -4.737 711 1HG LYS 495 2HG LYS 495 7.847 8.844 -2.817 712 2HG LYS 495 1HG LYS 495 7.868 7.278 -2.002 713 1HD LYS 495 2HD LYS 495 10.144 7.094 -2.121 714 2HD LYS 495 1HD LYS 495 10.252 8.042 -3.605 715 1HE LYS 495 2HE LYS 495 9.617 10.053 -2.218 716 2HE LYS 495 1HE LYS 495 9.851 9.041 -0.794 717 1HZ LYS 495 1HZ LYS 495 11.843 10.041 -2.707 718 2HZ LYS 495 2HZ LYS 495 12.145 8.593 -1.889 719 3HZ LYS 495 3HZ LYS 495 11.896 10.019 -1.015 720 H ARG 496 H ARG 496 5.481 6.127 -6.175 721 HA ARG 496 HA ARG 496 7.112 6.083 -8.552 722 1HB ARG 496 2HB ARG 496 6.076 4.026 -7.659 723 2HB ARG 496 1HB ARG 496 4.483 4.700 -7.985 724 1HG ARG 496 2HG ARG 496 4.906 3.254 -9.770 725 2HG ARG 496 1HG ARG 496 5.225 4.867 -10.413 726 1HD ARG 496 2HD ARG 496 7.636 4.518 -9.955 727 2HD ARG 496 1HD ARG 496 7.268 2.870 -9.451 728 HE ARG 496 HE ARG 496 6.211 3.012 -11.940 729 1HH1 ARG 496 1HH1 ARG 496 9.365 3.736 -10.631 730 2HH1 ARG 496 2HH1 ARG 496 10.202 3.339 -12.096 731 1HH2 ARG 496 1HH2 ARG 496 7.309 2.489 -13.865 732 2HH2 ARG 496 2HH2 ARG 496 9.033 2.632 -13.931 733 H LEU 497 H LEU 497 3.872 7.201 -7.666 734 HA LEU 497 HA LEU 497 3.846 8.800 -10.132 735 1HB LEU 497 2HB LEU 497 1.913 6.786 -9.234 736 2HB LEU 497 1HB LEU 497 1.184 8.319 -9.675 737 HG LEU 497 HG LEU 497 3.135 7.324 -11.631 738 1HD1 LEU 497 1HD1 LEU 497 1.580 5.639 -12.552 739 2HD1 LEU 497 2HD1 LEU 497 0.601 5.785 -11.091 740 3HD1 LEU 497 3HD1 LEU 497 2.254 5.179 -10.989 741 1HD2 LEU 497 1HD2 LEU 497 0.874 7.746 -12.985 742 2HD2 LEU 497 2HD2 LEU 497 1.957 9.050 -12.504 743 3HD2 LEU 497 3HD2 LEU 497 0.519 8.700 -11.545 744 H GLY 498 H GLY 498 4.644 10.463 -8.665 745 1HA GLY 498 2HA GLY 498 2.798 12.353 -7.961 746 2HA GLY 498 1HA GLY 498 2.984 11.380 -6.510 747 H MET 499 H MET 499 5.362 10.995 -5.899 748 HA MET 499 HA MET 499 6.582 13.591 -5.642 749 1HB MET 499 2HB MET 499 7.402 10.868 -4.625 750 2HB MET 499 1HB MET 499 8.269 12.353 -4.262 751 1HG MET 499 2HG MET 499 5.804 13.081 -3.507 752 2HG MET 499 1HG MET 499 5.707 11.345 -3.214 753 1HE MET 499 1HE MET 499 6.289 12.691 0.383 754 2HE MET 499 2HE MET 499 5.164 11.953 -0.757 755 3HE MET 499 3HE MET 499 5.494 13.682 -0.842 756 H ASN 500 H ASN 500 6.680 11.330 -8.041 757 HA ASN 500 HA ASN 500 9.506 11.787 -8.680 758 1HB ASN 500 2HB ASN 500 7.960 9.501 -8.841 759 2HB ASN 500 1HB ASN 500 8.004 10.067 -10.510 760 1HD2 ASN 500 1HD2 ASN 500 9.746 8.622 -7.948 761 2HD2 ASN 500 2HD2 ASN 500 11.235 8.384 -8.793 Start of MODEL 6 1 2H5* G 1 H5' GUA 1 8.420 -14.742 11.382 2 H4* G 1 H4' GUA 1 10.251 -12.822 11.514 3 H3* G 1 H3' GUA 1 7.720 -12.890 10.480 4 H1* G 1 H1' GUA 1 10.799 -11.722 8.421 5 H8 G 1 H8 GUA 1 9.045 -14.821 6.991 6 H1 G 1 1H GUA 1 14.515 -13.170 4.080 7 1H2 G 1 1H2 GUA 1 14.820 -10.839 6.616 8 2H2 G 1 2H2 GUA 1 15.499 -11.543 5.166 9 2H2* G 1 H2' GUA 1 8.440 -11.631 8.162 10 H5T G 1 H5T GUA 1 10.238 -16.364 10.356 11 2H5* T 2 H5' THY 2 10.397 -8.717 10.531 12 H4* T 2 H4' THY 2 11.864 -7.703 9.139 13 H3* T 2 H3' THY 2 9.396 -6.672 8.806 14 2H2* T 2 H2' THY 2 9.465 -6.517 6.105 15 H1* T 2 H1' THY 2 11.543 -7.639 5.725 16 H3 T 2 3H THY 2 10.962 -10.601 2.455 17 1H5M T 2 1H7 THY 2 8.228 -13.182 5.375 18 2H5M T 2 2H7 THY 2 6.998 -12.052 4.758 19 3H5M T 2 3H7 THY 2 7.560 -11.923 6.440 20 H6 T 2 6H THY 2 8.922 -10.067 6.733 21 2H5* T 3 H5' THY 3 13.088 -4.333 6.113 22 H4* T 3 H4' THY 3 13.922 -4.507 4.006 23 H3* T 3 H3' THY 3 11.766 -2.868 4.092 24 2H2* T 3 H2' THY 3 10.673 -3.690 1.755 25 H1* T 3 H1' THY 3 12.172 -5.507 1.300 26 H3 T 3 3H THY 3 9.890 -9.161 0.154 27 1H5M T 3 1H7 THY 3 8.160 -8.179 4.993 28 2H5M T 3 2H7 THY 3 7.134 -8.986 3.784 29 3H5M T 3 3H7 THY 3 7.027 -7.223 4.009 30 H6 T 3 6H THY 3 9.627 -6.214 3.896 31 2H5* A 4 H5' ADE 4 14.290 -2.687 -0.456 32 H4* A 4 H4' ADE 4 14.106 -3.778 -2.439 33 H3* A 4 H3' ADE 4 12.383 -1.704 -2.304 34 H1* A 4 H1' ADE 4 11.208 -5.157 -3.600 35 H8 A 4 8H ADE 4 9.883 -4.376 -0.036 36 1H6 A 4 1H6 ADE 4 6.901 -8.198 0.335 37 2H6 A 4 2H6 ADE 4 6.553 -9.554 -0.714 38 H2 A 4 2H ADE 4 9.109 -9.052 -4.366 39 2H2* A 4 H2' ADE 4 10.274 -2.956 -3.447 40 2H5* G 5 H5' GUA 5 12.983 -3.700 -6.965 41 H4* G 5 H4' GUA 5 11.946 -5.245 -8.238 42 H3* G 5 H3' GUA 5 10.749 -2.860 -8.583 43 H1* G 5 H1' GUA 5 8.606 -6.032 -7.964 44 H8 G 5 8H GUA 5 8.868 -3.750 -4.840 45 H1 G 5 1H GUA 5 4.748 -8.648 -4.432 46 1H2 G 5 1H2 GUA 5 5.870 -9.466 -7.602 47 2H2 G 5 2H2 GUA 5 4.814 -9.857 -6.264 48 2H2* G 5 H2' GUA 5 8.194 -3.745 -8.533 49 2H5* G 6 H5' GUA 6 9.102 -6.460 -11.685 50 H4* G 6 H4' GUA 6 7.324 -7.803 -11.975 51 H3* G 6 H3' GUA 6 6.715 -5.369 -12.950 52 H1* G 6 H1' GUA 6 4.213 -7.212 -10.635 53 H8 G 6 8H GUA 6 5.988 -4.243 -8.900 54 H1 G 6 1H GUA 6 1.509 -7.260 -5.440 55 1H2 G 6 1H2 GUA 6 1.293 -9.406 -8.147 56 2H2 G 6 2H2 GUA 6 0.724 -8.989 -6.546 57 2H2* G 6 H2' GUA 6 4.208 -5.211 -11.948 58 2H5* G 7 H5' GUA 7 3.219 -8.937 -14.475 59 H4* G 7 H4' GUA 7 1.278 -9.803 -13.587 60 H3* G 7 H3' GUA 7 0.885 -7.718 -15.230 61 H1* G 7 H1' GUA 7 -0.898 -7.765 -11.761 62 H8 G 7 8H GUA 7 2.189 -5.426 -11.920 63 H1 G 7 1H GUA 7 -1.367 -5.063 -6.594 64 1H2 G 7 1H2 GUA 7 -3.237 -7.597 -8.032 65 2H2 G 7 2H2 GUA 7 -3.007 -6.526 -6.667 66 2H2* G 7 H2' GUA 7 -0.967 -6.430 -13.729 67 2H5* T 8 H5' THY 8 -3.330 -9.908 -13.477 68 H4* T 8 H4' THY 8 -4.785 -9.581 -11.740 69 H3* T 8 H3' THY 8 -5.558 -8.333 -14.002 70 2H2* T 8 H2' THY 8 -6.398 -6.036 -12.841 71 H1* T 8 H1' THY 8 -5.677 -6.481 -10.604 72 H3 T 8 3H THY 8 -3.604 -2.863 -9.048 73 1H5M T 8 1H7 THY 8 -0.166 -4.316 -12.484 74 2H5M T 8 2H7 THY 8 -1.335 -3.858 -13.746 75 3H5M T 8 3H7 THY 8 -0.725 -2.632 -12.608 76 H6 T 8 6H THY 8 -2.797 -5.687 -12.807 77 2H5* T 9 H5' THY 9 -9.081 -8.820 -10.405 78 H4* T 9 H4' THY 9 -9.955 -7.620 -8.726 79 H3* T 9 H3' THY 9 -11.239 -6.933 -10.996 80 2H2* T 9 H2' THY 9 -11.323 -4.268 -10.527 81 H1* T 9 H1' THY 9 -9.969 -4.197 -8.558 82 H3 T 9 3H THY 9 -6.949 -0.947 -8.978 83 1H5M T 9 1H7 THY 9 -5.083 -3.898 -12.524 84 2H5M T 9 2H7 THY 9 -6.619 -3.928 -13.424 85 3H5M T 9 3H7 THY 9 -5.742 -2.395 -13.211 86 H6 T 9 6H THY 9 -7.957 -4.793 -11.612 87 2H5* A 10 H5' ADE 10 -13.313 -4.446 -6.909 88 H4* A 10 H4' ADE 10 -12.881 -2.338 -6.164 89 H3* A 10 H3' ADE 10 -14.710 -2.361 -8.209 90 H1* A 10 H1' ADE 10 -11.916 0.250 -7.854 91 H8 A 10 8H ADE 10 -11.253 -2.129 -10.858 92 1H6 A 10 1H6 ADE 10 -7.560 0.383 -12.783 93 2H6 A 10 2H6 ADE 10 -6.725 1.842 -12.301 94 H2 A 10 2H ADE 10 -8.653 3.250 -8.506 95 2H2* A 10 H2' ADE 10 -13.865 0.010 -9.241 96 2H5* G 11 H5' GUA 11 -14.766 1.899 -5.249 97 H4* G 11 H4' GUA 11 -13.506 3.831 -5.220 98 H3* G 11 H3' GUA 11 -15.841 4.042 -6.566 99 H1* G 11 H1' GUA 11 -12.566 5.476 -8.032 100 H8 G 11 8H GUA 11 -13.477 2.067 -9.653 101 H1 G 11 1H GUA 11 -9.087 5.593 -12.722 102 1H2 G 11 1H2 GUA 11 -9.552 7.864 -10.151 103 2H2 G 11 2H2 GUA 11 -8.715 7.466 -11.635 104 2H2* G 11 H2' GUA 11 -14.893 5.535 -8.614 105 2H5* G 12 H5' GUA 12 -13.857 8.694 -5.121 106 H4* G 12 H4' GUA 12 -12.136 9.852 -6.154 107 H3* G 12 H3' GUA 12 -14.619 10.765 -6.689 108 H1* G 12 H1' GUA 12 -12.036 10.314 -9.531 109 H8 G 12 8H GUA 12 -14.510 7.326 -9.380 110 H1 G 12 1H GUA 12 -11.165 7.974 -14.816 111 1H2 G 12 1H2 GUA 12 -9.779 10.746 -13.278 112 2H2 G 12 2H2 GUA 12 -9.844 9.725 -14.696 113 2H2* G 12 H2' GUA 12 -14.235 11.242 -9.324 114 2H5* G 13 H5' GUA 13 -10.993 14.385 -7.937 115 H4* G 13 H4' GUA 13 -9.603 14.553 -9.825 116 H3* G 13 H3' GUA 13 -11.734 16.184 -9.706 117 H1* G 13 H1' GUA 13 -11.019 14.210 -12.980 118 H8 G 13 8H GUA 13 -13.699 12.487 -10.763 119 H1 G 13 1H GUA 13 -13.377 10.536 -16.865 120 1H2 G 13 1H2 GUA 13 -10.829 12.862 -17.157 121 2H2 G 13 2H2 GUA 13 -11.806 11.638 -17.937 122 H3T G 13 H3T GUA 13 -9.653 16.693 -10.514 123 2H2* G 13 H2' GUA 13 -12.536 15.915 -12.274 124 2H5* C 14 H5' CYT 14 -12.176 7.939 -25.330 125 H4* C 14 H4' CYT 14 -10.766 9.722 -24.317 126 H3* C 14 H3' CYT 14 -10.361 7.077 -24.058 127 H1* C 14 H1' CYT 14 -10.434 9.329 -20.895 128 1H4 C 14 1H4 CYT 14 -16.017 7.678 -17.727 129 2H4 C 14 2H4 CYT 14 -15.164 8.839 -16.731 130 H5 C 14 5H CYT 14 -15.203 6.958 -19.892 131 H6 C 14 6H CYT 14 -13.414 7.207 -21.533 132 2H2* C 14 H2' CYT 14 -9.933 7.045 -21.387 133 H5T C 14 H5T CYT 14 -13.568 8.279 -22.875 134 2H5* C 15 H5' CYT 15 -6.207 9.832 -22.302 135 H4* C 15 H4' CYT 15 -5.939 10.864 -20.257 136 H3* C 15 H3' CYT 15 -4.812 8.421 -20.420 137 H1* C 15 H1' CYT 15 -6.939 9.388 -17.326 138 1H4 C 15 1H4 CYT 15 -12.430 5.696 -17.751 139 2H4 C 15 2H4 CYT 15 -12.428 6.463 -16.178 140 H5 C 15 5H CYT 15 -10.683 6.048 -19.392 141 H6 C 15 6H CYT 15 -8.587 7.206 -19.854 142 2H2* C 15 H2' CYT 15 -5.542 7.557 -17.961 143 2H5* C 16 H5' CYT 16 -3.116 11.303 -16.479 144 H4* C 16 H4' CYT 16 -3.929 11.590 -14.361 145 H3* C 16 H3' CYT 16 -1.935 9.791 -14.463 146 H1* C 16 H1' CYT 16 -5.207 8.914 -12.520 147 1H4 C 16 1H4 CYT 16 -8.176 4.339 -16.289 148 2H4 C 16 2H4 CYT 16 -8.922 4.293 -14.709 149 H5 C 16 5H CYT 16 -6.380 5.864 -16.852 150 H6 C 16 6H CYT 16 -4.938 7.645 -16.013 151 2H2* C 16 H2' CYT 16 -3.048 7.962 -12.794 152 2H5* T 17 H5' THY 17 -3.642 11.158 -9.975 153 H4* T 17 H4' THY 17 -5.137 10.373 -8.479 154 H3* T 17 H3' THY 17 -2.691 9.403 -7.900 155 2H2* T 17 H2' THY 17 -3.452 6.869 -7.337 156 H1* T 17 H1' THY 17 -5.758 7.031 -7.954 157 H3 T 17 3H THY 17 -6.820 3.524 -10.481 158 1H5M T 17 1H7 THY 17 -3.687 5.948 -13.686 159 2H5M T 17 2H7 THY 17 -2.363 5.439 -12.610 160 3H5M T 17 3H7 THY 17 -3.376 4.217 -13.418 161 H6 T 17 6H THY 17 -3.548 6.964 -10.933 162 2H5* A 18 H5' ADE 18 -6.029 8.037 -4.271 163 H4* A 18 H4' ADE 18 -6.641 6.402 -2.873 164 H3* A 18 H3' ADE 18 -3.981 6.442 -2.874 165 H1* A 18 H1' ADE 18 -5.693 2.943 -3.814 166 H8 A 18 8H ADE 18 -3.901 4.999 -6.510 167 1H6 A 18 1H6 ADE 18 -4.965 2.168 -10.309 168 2H6 A 18 2H6 ADE 18 -5.969 0.747 -10.503 169 H2 A 18 2H ADE 18 -7.806 -0.096 -6.501 170 2H2* A 18 H2' ADE 18 -3.614 3.733 -3.164 171 2H5* A 19 H5' ADE 19 -6.457 2.903 -0.245 172 H4* A 19 H4' ADE 19 -7.337 0.943 -1.039 173 H3* A 19 H3' ADE 19 -4.964 0.610 0.254 174 H1* A 19 H1' ADE 19 -5.789 -1.211 -3.050 175 H8 A 19 8H ADE 19 -3.255 1.690 -3.595 176 1H6 A 19 1H6 ADE 19 -1.937 0.473 -8.112 177 2H6 A 19 2H6 ADE 19 -2.422 -0.811 -9.198 178 H2 A 19 2H ADE 19 -5.502 -3.245 -7.031 179 2H2* A 19 H2' ADE 19 -4.051 -1.340 -1.400 180 2H5* C 20 H5' CYT 20 -7.527 -3.974 0.013 181 H4* C 20 H4' CYT 20 -7.668 -5.759 -1.493 182 H3* C 20 H3' CYT 20 -5.869 -5.996 0.476 183 H1* C 20 H1' CYT 20 -4.746 -6.732 -3.186 184 1H4 C 20 1H4 CYT 20 -0.912 -1.574 -4.814 185 2H4 C 20 2H4 CYT 20 -0.658 -2.825 -6.008 186 H5 C 20 5H CYT 20 -2.442 -1.825 -2.954 187 H6 C 20 6H CYT 20 -4.027 -3.324 -1.864 188 2H2* C 20 H2' CYT 20 -3.808 -6.932 -1.005 189 2H5* C 21 H5' CYT 21 -6.491 -10.533 -2.055 190 H4* C 21 H4' CYT 21 -5.423 -11.400 -3.870 191 H3* C 21 H3' CYT 21 -4.207 -12.101 -1.574 192 H1* C 21 H1' CYT 21 -2.101 -10.786 -4.552 193 1H4 C 21 1H4 CYT 21 0.095 -4.823 -2.659 194 2H4 C 21 2H4 CYT 21 0.872 -5.218 -4.176 195 H5 C 21 5H CYT 21 -1.519 -6.281 -1.589 196 H6 C 21 6H CYT 21 -2.708 -8.404 -1.760 197 2H2* C 21 H2' CYT 21 -1.659 -11.737 -2.403 198 2H5* C 22 H5' CYT 22 -2.219 -14.424 -5.585 199 H4* C 22 H4' CYT 22 -0.346 -14.498 -6.841 200 H3* C 22 H3' CYT 22 0.099 -15.776 -4.523 201 H1* C 22 H1' CYT 22 2.691 -13.161 -5.780 202 1H4 C 22 1H4 CYT 22 2.083 -8.049 -1.605 203 2H4 C 22 2H4 CYT 22 3.415 -7.697 -2.683 204 H5 C 22 5H CYT 22 0.747 -10.062 -1.779 205 H6 C 22 6H CYT 22 0.422 -12.137 -3.021 206 2H2* C 22 H2' CYT 22 2.552 -14.753 -4.011 207 2H5* T 23 H5' THY 23 3.748 -16.035 -7.927 208 H4* T 23 H4' THY 23 5.736 -15.096 -8.364 209 H3* T 23 H3' THY 23 6.143 -17.092 -6.600 210 2H2* T 23 H2' THY 23 7.884 -15.777 -4.998 211 H1* T 23 H1' THY 23 7.755 -13.615 -6.015 212 H3 T 23 3H THY 23 7.232 -10.508 -2.867 213 1H5M T 23 1H7 THY 23 3.249 -14.109 -2.261 214 2H5M T 23 2H7 THY 23 2.975 -12.405 -1.837 215 3H5M T 23 3H7 THY 23 4.021 -13.418 -0.815 216 H6 T 23 6H THY 23 4.751 -14.424 -3.995 217 2H5* A 24 H5' ADE 24 10.584 -15.336 -8.706 218 H4* A 24 H4' ADE 24 11.986 -13.636 -8.131 219 H3* A 24 H3' ADE 24 12.702 -15.959 -6.973 220 H1* A 24 H1' ADE 24 12.558 -12.702 -4.866 221 H8 A 24 8H ADE 24 9.562 -15.077 -4.181 222 1H6 A 24 1H6 ADE 24 7.748 -12.652 -0.378 223 2H6 A 24 2H6 ADE 24 8.200 -11.165 0.422 224 H2 A 24 2H ADE 24 11.783 -9.565 -1.752 225 2H2* A 24 H2' ADE 24 13.293 -14.951 -4.530 226 2H5* A 25 H5' ADE 25 16.387 -12.314 -6.687 227 H4* A 25 H4' ADE 25 16.821 -10.662 -5.179 228 H3* A 25 H3' ADE 25 18.140 -12.928 -4.574 229 H1* A 25 H1' ADE 25 16.222 -11.010 -1.801 230 H8 A 25 8H ADE 25 14.336 -14.188 -3.003 231 1H6 A 25 1H6 ADE 25 10.934 -14.196 0.472 232 2H6 A 25 2H6 ADE 25 10.584 -13.124 1.808 233 H2 A 25 2H ADE 25 13.643 -9.849 1.678 234 2H2* A 25 H2' ADE 25 17.710 -12.879 -1.905 235 2H5* C 26 H5' CYT 26 19.889 -8.838 -1.854 236 H4* C 26 H4' CYT 26 19.142 -7.897 0.123 237 H3* C 26 H3' CYT 26 21.241 -9.547 0.389 238 H1* C 26 H1' CYT 26 18.202 -9.931 2.793 239 1H4 C 26 1H4 CYT 26 15.271 -15.574 0.905 240 2H4 C 26 2H4 CYT 26 14.587 -15.107 2.445 241 H5 C 26 5H CYT 26 16.974 -14.271 -0.226 242 H6 C 26 6H CYT 26 18.357 -12.264 -0.105 243 H3T C 26 H3T CYT 26 21.456 -7.973 1.746 244 2H2* C 26 H2' CYT 26 20.393 -10.851 2.605 245 1H GLU 438 H GLU 438 -19.934 2.721 -17.688 246 HA GLU 438 HA GLU 438 -19.889 1.999 -15.533 247 1HB GLU 438 2HB GLU 438 -17.303 3.176 -16.034 248 2HB GLU 438 1HB GLU 438 -17.756 3.407 -14.353 249 1HG GLU 438 2HG GLU 438 -18.146 1.003 -14.131 250 2HG GLU 438 1HG GLU 438 -17.671 0.778 -15.814 251 H ASP 439 H ASP 439 -21.840 3.035 -14.995 252 HA ASP 439 HA ASP 439 -21.493 5.331 -13.194 253 1HB ASP 439 2HB ASP 439 -22.932 5.310 -15.669 254 2HB ASP 439 1HB ASP 439 -24.083 5.503 -14.353 255 H SER 440 H SER 440 -21.593 2.614 -12.468 256 HA SER 440 HA SER 440 -22.567 1.256 -10.926 257 1HB SER 440 2HB SER 440 -23.073 3.768 -10.012 258 2HB SER 440 1HB SER 440 -24.713 3.140 -10.176 259 HG SER 440 HG SER 440 -22.599 1.886 -8.758 260 H THR 441 H THR 441 -24.075 -0.340 -10.981 261 HA THR 441 HA THR 441 -26.559 0.099 -12.454 262 HB THR 441 HB THR 441 -25.866 -2.371 -13.396 263 HG1 THR 441 1HG THR 441 -23.720 -2.119 -14.177 264 1HG2 THR 441 1HG2 THR 441 -25.972 -1.459 -15.446 265 2HG2 THR 441 2HG2 THR 441 -24.870 -0.144 -15.041 266 3HG2 THR 441 3HG2 THR 441 -26.561 -0.062 -14.547 267 H THR 442 H THR 442 -24.719 -2.636 -11.082 268 HA THR 442 HA THR 442 -27.157 -3.479 -9.686 269 HB THR 442 HB THR 442 -25.464 -5.519 -9.245 270 HG1 THR 442 1HG THR 442 -23.735 -4.668 -10.357 271 1HG2 THR 442 1HG2 THR 442 -27.307 -6.286 -10.279 272 2HG2 THR 442 2HG2 THR 442 -26.240 -6.285 -11.683 273 3HG2 THR 442 3HG2 THR 442 -27.358 -4.946 -11.426 274 H ASN 443 H ASN 443 -25.065 -1.340 -8.908 275 HA ASN 443 HA ASN 443 -24.164 -0.521 -6.985 276 1HB ASN 443 2HB ASN 443 -26.371 -2.241 -6.125 277 2HB ASN 443 1HB ASN 443 -25.134 -2.035 -4.890 278 1HD2 ASN 443 1HD2 ASN 443 -26.817 -0.049 -7.307 279 2HD2 ASN 443 2HD2 ASN 443 -27.131 1.277 -6.245 280 H ILE 444 H ILE 444 -22.072 -0.829 -6.655 281 HA ILE 444 HA ILE 444 -21.124 -3.156 -5.260 282 HB ILE 444 HB ILE 444 -19.329 -3.591 -7.035 283 1HG1 ILE 444 2HG1 ILE 444 -21.410 -2.521 -8.930 284 2HG1 ILE 444 1HG1 ILE 444 -20.090 -1.510 -8.353 285 1HG2 ILE 444 1HG2 ILE 444 -21.309 -5.049 -6.414 286 2HG2 ILE 444 2HG2 ILE 444 -20.602 -5.313 -8.008 287 3HG2 ILE 444 3HG2 ILE 444 -22.104 -4.401 -7.851 288 1HD1 ILE 444 1HD1 ILE 444 -19.517 -2.418 -10.490 289 2HD1 ILE 444 2HD1 ILE 444 -19.857 -4.058 -9.934 290 3HD1 ILE 444 3HD1 ILE 444 -18.492 -3.162 -9.264 291 H THR 445 H THR 445 -19.904 -2.229 -3.760 292 HA THR 445 HA THR 445 -17.859 -0.305 -4.602 293 HB THR 445 HB THR 445 -18.482 0.753 -2.209 294 HG1 THR 445 1HG THR 445 -20.287 -0.244 -1.662 295 1HG2 THR 445 1HG2 THR 445 -18.567 1.683 -4.720 296 2HG2 THR 445 2HG2 THR 445 -19.138 2.587 -3.319 297 3HG2 THR 445 3HG2 THR 445 -20.287 1.704 -4.326 298 H LYS 446 H LYS 446 -16.275 -1.910 -4.326 299 HA LYS 446 HA LYS 446 -15.787 -2.659 -1.520 300 1HB LYS 446 2HB LYS 446 -15.929 -4.335 -3.933 301 2HB LYS 446 1HB LYS 446 -14.512 -4.625 -2.932 302 1HG LYS 446 2HG LYS 446 -16.481 -4.566 -1.061 303 2HG LYS 446 1HG LYS 446 -17.328 -5.260 -2.445 304 1HD LYS 446 2HD LYS 446 -15.070 -6.692 -2.559 305 2HD LYS 446 1HD LYS 446 -15.102 -6.356 -0.827 306 1HE LYS 446 2HE LYS 446 -17.719 -7.125 -1.690 307 2HE LYS 446 1HE LYS 446 -16.552 -8.316 -2.255 308 1HZ LYS 446 1HZ LYS 446 -17.628 -8.361 0.168 309 2HZ LYS 446 2HZ LYS 446 -16.247 -7.443 0.499 310 3HZ LYS 446 3HZ LYS 446 -16.095 -8.989 -0.172 311 H LYS 447 H LYS 447 -14.251 -1.182 -1.009 312 HA LYS 447 HA LYS 447 -11.618 -1.584 -2.025 313 1HB LYS 447 2HB LYS 447 -13.108 0.224 -3.487 314 2HB LYS 447 1HB LYS 447 -12.230 1.257 -2.368 315 1HG LYS 447 2HG LYS 447 -11.100 -0.656 -4.392 316 2HG LYS 447 1HG LYS 447 -10.921 1.100 -4.329 317 1HD LYS 447 2HD LYS 447 -9.534 0.954 -2.385 318 2HD LYS 447 1HD LYS 447 -9.865 -0.770 -2.209 319 1HE LYS 447 2HE LYS 447 -8.207 0.624 -4.286 320 2HE LYS 447 1HE LYS 447 -7.734 -0.667 -3.181 321 1HZ LYS 447 1HZ LYS 447 -9.418 -0.854 -5.604 322 2HZ LYS 447 2HZ LYS 447 -9.417 -2.070 -4.428 323 3HZ LYS 447 3HZ LYS 447 -7.990 -1.688 -5.250 324 H GLN 448 H GLN 448 -10.801 -1.798 -0.017 325 HA GLN 448 HA GLN 448 -11.522 0.075 2.082 326 1HB GLN 448 2HB GLN 448 -9.851 -2.426 1.996 327 2HB GLN 448 1HB GLN 448 -9.838 -1.367 3.399 328 1HG GLN 448 2HG GLN 448 -12.515 -1.712 2.946 329 2HG GLN 448 1HG GLN 448 -11.844 -3.283 2.514 330 1HE2 GLN 448 1HE2 GLN 448 -12.043 -0.874 5.060 331 2HE2 GLN 448 2HE2 GLN 448 -11.758 -1.963 6.371 332 H LYS 449 H LYS 449 -10.617 2.007 1.263 333 HA LYS 449 HA LYS 449 -7.806 2.152 0.670 334 1HB LYS 449 2HB LYS 449 -9.586 4.528 1.147 335 2HB LYS 449 1HB LYS 449 -8.175 4.408 0.108 336 1HG LYS 449 2HG LYS 449 -9.496 2.810 -1.317 337 2HG LYS 449 1HG LYS 449 -10.908 3.253 -0.358 338 1HD LYS 449 2HD LYS 449 -10.971 5.397 -1.192 339 2HD LYS 449 1HD LYS 449 -9.247 5.412 -1.571 340 1HE LYS 449 2HE LYS 449 -9.548 4.153 -3.518 341 2HE LYS 449 1HE LYS 449 -11.150 3.605 -3.024 342 1HZ LYS 449 1HZ LYS 449 -10.358 6.068 -4.334 343 2HZ LYS 449 2HZ LYS 449 -11.518 6.243 -3.116 344 3HZ LYS 449 3HZ LYS 449 -11.815 5.212 -4.424 345 H TRP 450 H TRP 450 -6.374 3.711 1.783 346 HA TRP 450 HA TRP 450 -6.343 3.196 4.588 347 1HB TRP 450 2HB TRP 450 -4.599 4.764 2.716 348 2HB TRP 450 1HB TRP 450 -4.365 4.882 4.456 349 HD1 TRP 450 HD TRP 450 -5.178 1.633 2.534 350 HE1 TRP 450 1HE TRP 450 -3.251 -0.027 2.918 351 HE3 TRP 450 3HE TRP 450 -1.998 4.670 5.146 352 HZ2 TRP 450 2HZ TRP 450 -0.718 -0.048 4.167 353 HZ3 TRP 450 3HZ TRP 450 0.155 3.752 5.901 354 HH2 TRP 450 HH TRP 450 0.780 1.444 5.420 355 H THR 451 H THR 451 -5.899 5.031 6.157 356 HA THR 451 HA THR 451 -7.917 7.127 5.729 357 HB THR 451 HB THR 451 -7.443 7.241 8.387 358 HG1 THR 451 1HG THR 451 -6.354 5.557 8.962 359 1HG2 THR 451 1HG2 THR 451 -9.658 7.005 7.772 360 2HG2 THR 451 2HG2 THR 451 -9.318 5.501 8.627 361 3HG2 THR 451 3HG2 THR 451 -9.352 5.525 6.864 362 H VAL 452 H VAL 452 -7.405 9.155 7.119 363 HA VAL 452 HA VAL 452 -4.959 10.232 6.114 364 HB VAL 452 HB VAL 452 -5.595 12.304 7.241 365 1HG1 VAL 452 1HG1 VAL 452 -7.150 12.812 5.693 366 2HG1 VAL 452 2HG1 VAL 452 -8.202 11.473 6.155 367 3HG1 VAL 452 3HG1 VAL 452 -6.811 11.183 5.111 368 1HG2 VAL 452 1HG2 VAL 452 -8.193 11.312 8.183 369 2HG2 VAL 452 2HG2 VAL 452 -7.088 12.473 8.914 370 3HG2 VAL 452 3HG2 VAL 452 -6.805 10.744 9.110 371 H GLU 453 H GLU 453 -5.821 8.632 9.022 372 HA GLU 453 HA GLU 453 -3.777 9.825 10.657 373 1HB GLU 453 2HB GLU 453 -5.719 7.572 10.986 374 2HB GLU 453 1HB GLU 453 -4.367 7.716 12.100 375 1HG GLU 453 2HG GLU 453 -5.440 10.272 11.979 376 2HG GLU 453 1HG GLU 453 -6.840 9.200 11.992 377 H GLU 454 H GLU 454 -4.213 6.720 8.997 378 HA GLU 454 HA GLU 454 -1.795 5.548 9.789 379 1HB GLU 454 2HB GLU 454 -3.416 5.107 7.281 380 2HB GLU 454 1HB GLU 454 -2.109 4.064 7.822 381 1HG GLU 454 2HG GLU 454 -4.068 4.485 9.905 382 2HG GLU 454 1HG GLU 454 -4.798 3.829 8.440 383 H SER 455 H SER 455 -2.580 7.668 7.090 384 HA SER 455 HA SER 455 -0.048 7.409 5.816 385 1HB SER 455 2HB SER 455 -2.322 9.359 5.520 386 2HB SER 455 1HB SER 455 -0.817 9.549 4.620 387 HG SER 455 HG SER 455 -2.828 8.087 3.919 388 H GLU 456 H GLU 456 -1.149 9.195 8.525 389 HA GLU 456 HA GLU 456 0.817 11.291 8.345 390 1HB GLU 456 2HB GLU 456 -1.415 11.487 9.528 391 2HB GLU 456 1HB GLU 456 -0.749 10.461 10.790 392 1HG GLU 456 2HG GLU 456 0.390 12.139 11.706 393 2HG GLU 456 1HG GLU 456 0.965 12.721 10.143 394 H TRP 457 H TRP 457 0.490 8.206 9.989 395 HA TRP 457 HA TRP 457 2.780 8.466 11.646 396 1HB TRP 457 2HB TRP 457 1.572 5.877 10.671 397 2HB TRP 457 1HB TRP 457 2.472 6.153 12.158 398 HD1 TRP 457 HD TRP 457 0.775 8.860 12.919 399 HE1 TRP 457 1HE TRP 457 -1.579 8.538 13.916 400 HE3 TRP 457 3HE TRP 457 -0.152 4.108 11.286 401 HZ2 TRP 457 2HZ TRP 457 -3.567 6.532 13.991 402 HZ3 TRP 457 3HZ TRP 457 -2.305 3.064 11.853 403 HH2 TRP 457 HH TRP 457 -3.976 4.250 13.180 404 H VAL 458 H VAL 458 2.256 7.296 8.383 405 HA VAL 458 HA VAL 458 4.852 6.115 8.128 406 HB VAL 458 HB VAL 458 2.710 5.564 6.778 407 1HG1 VAL 458 1HG1 VAL 458 2.311 7.846 5.959 408 2HG1 VAL 458 2HG1 VAL 458 2.488 6.688 4.645 409 3HG1 VAL 458 3HG1 VAL 458 3.818 7.771 5.051 410 1HG2 VAL 458 1HG2 VAL 458 4.012 4.652 4.997 411 2HG2 VAL 458 2HG2 VAL 458 4.972 4.575 6.476 412 3HG2 VAL 458 3HG2 VAL 458 5.303 5.822 5.273 413 H LYS 459 H LYS 459 3.487 9.273 7.510 414 HA LYS 459 HA LYS 459 5.501 10.276 5.820 415 1HB LYS 459 2HB LYS 459 3.510 11.568 7.658 416 2HB LYS 459 1HB LYS 459 4.738 12.537 6.859 417 1HG LYS 459 2HG LYS 459 3.939 11.794 4.685 418 2HG LYS 459 1HG LYS 459 2.725 10.782 5.470 419 1HD LYS 459 2HD LYS 459 2.004 13.013 6.609 420 2HD LYS 459 1HD LYS 459 2.868 13.761 5.265 421 1HE LYS 459 2HE LYS 459 1.232 13.280 3.825 422 2HE LYS 459 1HE LYS 459 1.110 11.618 4.397 423 1HZ LYS 459 1HZ LYS 459 -0.194 12.483 6.301 424 2HZ LYS 459 2HZ LYS 459 -0.951 12.710 4.805 425 3HZ LYS 459 3HZ LYS 459 -0.190 14.011 5.574 426 H ALA 460 H ALA 460 5.102 10.585 9.348 427 HA ALA 460 HA ALA 460 7.698 11.801 9.644 428 1HB ALA 460 1HB ALA 460 5.880 10.762 11.809 429 2HB ALA 460 2HB ALA 460 5.765 12.373 11.099 430 3HB ALA 460 3HB ALA 460 7.213 11.901 11.989 431 H GLY 461 H GLY 461 6.386 8.592 9.783 432 1HA GLY 461 2HA GLY 461 8.352 7.360 11.384 433 2HA GLY 461 1HA GLY 461 7.348 6.548 10.191 434 H VAL 462 H VAL 462 8.285 8.129 7.952 435 HA VAL 462 HA VAL 462 10.771 6.694 7.486 436 HB VAL 462 HB VAL 462 9.215 8.411 5.549 437 1HG1 VAL 462 1HG1 VAL 462 11.110 6.172 4.900 438 2HG1 VAL 462 2HG1 VAL 462 11.661 7.836 5.100 439 3HG1 VAL 462 3HG1 VAL 462 10.492 7.439 3.839 440 1HG2 VAL 462 1HG2 VAL 462 7.767 6.748 5.184 441 2HG2 VAL 462 2HG2 VAL 462 8.324 6.079 6.719 442 3HG2 VAL 462 3HG2 VAL 462 9.035 5.524 5.204 443 H GLN 463 H GLU 463 9.627 9.990 7.845 444 HA GLN 463 HA GLU 463 12.011 11.239 6.911 445 1HB GLN 463 2HB GLU 463 9.668 12.212 8.535 446 2HB GLN 463 1HB GLU 463 11.038 13.249 8.162 447 1HG GLN 463 2HG GLU 463 10.280 12.105 5.728 448 2HG GLN 463 1HG GLU 463 8.778 12.550 6.538 449 H LYS 464 H LYS 464 11.181 9.679 9.839 450 HA LYS 464 HA LYS 464 13.391 11.007 11.252 451 1HB LYS 464 2HB LYS 464 10.843 9.763 12.134 452 2HB LYS 464 1HB LYS 464 12.229 9.588 13.203 453 1HG LYS 464 2HG LYS 464 12.321 12.247 12.587 454 2HG LYS 464 1HG LYS 464 10.585 11.930 12.622 455 1HD LYS 464 2HD LYS 464 10.570 11.720 14.849 456 2HD LYS 464 1HD LYS 464 11.996 10.679 14.839 457 1HE LYS 464 2HE LYS 464 13.431 12.412 15.163 458 2HE LYS 464 1HE LYS 464 12.426 13.552 14.271 459 1HZ LYS 464 1HZ LYS 464 12.679 13.544 16.927 460 2HZ LYS 464 2HZ LYS 464 11.296 12.586 16.757 461 3HZ LYS 464 3HZ LYS 464 11.323 14.150 16.115 462 H TYR 465 H TYR 465 11.953 7.773 10.802 463 HA TYR 465 HA TYR 465 14.421 6.525 11.681 464 1HB TYR 465 2HB TYR 465 11.802 5.328 10.757 465 2HB TYR 465 1HB TYR 465 13.170 4.401 11.363 466 HD1 TYR 465 1HD TYR 465 13.878 4.680 13.749 467 HD2 TYR 465 2HD TYR 465 10.284 6.387 12.239 468 HE1 TYR 465 1HE TYR 465 13.046 4.950 16.046 469 HE2 TYR 465 2HE TYR 465 9.445 6.663 14.533 470 HH TYR 465 HH TYR 465 10.736 6.905 16.952 471 H GLY 466 H GLY 466 12.489 6.789 8.722 472 1HA GLY 466 2HA GLY 466 13.845 7.077 6.660 473 2HA GLY 466 1HA GLY 466 14.818 5.732 7.238 474 H GLU 467 H GLU 467 13.935 5.435 4.782 475 HA GLU 467 HA GLU 467 11.377 4.049 4.788 476 1HB GLU 467 2HB GLU 467 12.572 5.597 2.913 477 2HB GLU 467 1HB GLU 467 13.057 4.002 2.356 478 1HG GLU 467 2HG GLU 467 10.416 3.612 2.830 479 2HG GLU 467 1HG GLU 467 10.432 5.300 2.322 480 H GLY 468 H GLY 468 11.108 1.870 4.208 481 1HA GLY 468 2HA GLY 468 11.881 -0.299 3.657 482 2HA GLY 468 1HA GLY 468 13.517 0.212 4.048 483 H ASN 469 H ASN 469 12.555 1.442 6.593 484 HA ASN 469 HA ASN 469 12.531 -1.037 8.148 485 1HB ASN 469 2HB ASN 469 13.034 0.563 10.075 486 2HB ASN 469 1HB ASN 469 14.286 0.385 8.848 487 1HD2 ASN 469 1HD2 ASN 469 11.813 2.470 10.142 488 2HD2 ASN 469 2HD2 ASN 469 12.371 3.924 9.395 489 H TRP 470 H TRP 470 10.225 -1.287 7.500 490 HA TRP 470 HA TRP 470 8.332 0.494 8.786 491 1HB TRP 470 2HB TRP 470 7.625 -2.104 7.447 492 2HB TRP 470 1HB TRP 470 6.647 -0.652 7.614 493 HD1 TRP 470 HD TRP 470 8.721 -2.431 5.157 494 HE1 TRP 470 1HE TRP 470 9.234 -0.929 3.132 495 HE3 TRP 470 3HE TRP 470 7.279 2.075 7.100 496 HZ2 TRP 470 2HZ TRP 470 9.054 1.803 2.448 497 HZ3 TRP 470 3HZ TRP 470 7.482 4.085 5.693 498 HH2 TRP 470 HH TRP 470 8.353 3.950 3.414 499 H ALA 471 H ALA 471 9.687 -2.695 9.237 500 HA ALA 471 HA ALA 471 7.953 -3.846 11.035 501 1HB ALA 471 1HB ALA 471 10.967 -3.991 11.034 502 2HB ALA 471 2HB ALA 471 9.856 -5.054 10.167 503 3HB ALA 471 3HB ALA 471 9.902 -5.074 11.930 504 H ALA 472 H ALA 472 10.576 -1.564 11.743 505 HA ALA 472 HA ALA 472 10.154 -1.560 14.556 506 1HB ALA 472 1HB ALA 472 11.500 0.546 12.865 507 2HB ALA 472 2HB ALA 472 12.289 -0.883 13.532 508 3HB ALA 472 3HB ALA 472 11.645 0.353 14.610 509 H ILE 473 H ILE 473 8.991 0.455 11.906 510 HA ILE 473 HA ILE 473 7.748 2.431 13.503 511 HB ILE 473 HB ILE 473 6.957 1.582 10.715 512 1HG1 ILE 473 2HG1 ILE 473 8.887 3.774 11.483 513 2HG1 ILE 473 1HG1 ILE 473 9.408 2.153 11.036 514 1HG2 ILE 473 1HG2 ILE 473 5.907 3.666 10.493 515 2HG2 ILE 473 2HG2 ILE 473 6.691 4.313 11.932 516 3HG2 ILE 473 3HG2 ILE 473 5.426 3.095 12.089 517 1HD1 ILE 473 1HD1 ILE 473 8.998 2.483 8.847 518 2HD1 ILE 473 2HD1 ILE 473 9.222 4.171 9.302 519 3HD1 ILE 473 3HD1 ILE 473 7.594 3.508 9.148 520 H SER 474 H SER 474 6.657 -0.658 12.214 521 HA SER 474 HA SER 474 3.922 -0.312 12.920 522 1HB SER 474 2HB SER 474 3.780 -2.785 12.532 523 2HB SER 474 1HB SER 474 4.489 -1.891 11.186 524 HG SER 474 HG SER 474 5.896 -3.337 13.185 525 H LYS 475 H LYS 475 6.747 -1.263 14.657 526 HA LYS 475 HA LYS 475 5.241 -2.520 16.800 527 1HB LYS 475 2HB LYS 475 8.175 -2.037 16.329 528 2HB LYS 475 1HB LYS 475 7.565 -2.654 17.858 529 1HG LYS 475 2HG LYS 475 6.378 -4.386 16.223 530 2HG LYS 475 1HG LYS 475 7.772 -3.974 15.221 531 1HD LYS 475 2HD LYS 475 9.185 -5.111 16.534 532 2HD LYS 475 1HD LYS 475 8.468 -4.462 18.010 533 1HE LYS 475 2HE LYS 475 6.731 -6.106 17.971 534 2HE LYS 475 1HE LYS 475 7.222 -6.660 16.372 535 1HZ LYS 475 1HZ LYS 475 9.478 -7.035 17.692 536 2HZ LYS 475 2HZ LYS 475 8.271 -8.215 17.602 537 3HZ LYS 475 3HZ LYS 475 8.393 -7.234 18.974 538 H ASN 476 H ASN 476 6.252 0.616 15.964 539 HA ASN 476 HA ASN 476 6.082 1.501 18.765 540 1HB ASN 476 2HB ASN 476 8.106 2.013 17.119 541 2HB ASN 476 1HB ASN 476 7.050 3.331 16.621 542 1HD2 ASN 476 1HD2 ASN 476 8.613 1.853 19.408 543 2HD2 ASN 476 2HD2 ASN 476 8.729 3.303 20.340 544 H TYR 477 H TYR 477 4.791 1.989 15.536 545 HA TYR 477 HA TYR 477 2.929 4.006 16.567 546 1HB TYR 477 2HB TYR 477 3.888 3.265 13.829 547 2HB TYR 477 1HB TYR 477 2.329 4.063 14.004 548 HD1 TYR 477 1HD TYR 477 2.188 6.372 14.735 549 HD2 TYR 477 2HD TYR 477 5.958 4.437 14.353 550 HE1 TYR 477 1HE TYR 477 3.315 8.554 14.860 551 HE2 TYR 477 2HE TYR 477 7.094 6.615 14.477 552 HH TYR 477 HH TYR 477 5.593 9.501 14.033 553 HA PRO 478 HA PRO 478 -0.560 1.315 16.564 554 1HB PRO 478 2HB PRO 478 -2.556 2.895 15.647 555 2HB PRO 478 1HB PRO 478 -1.810 3.130 17.231 556 1HG PRO 478 2HG PRO 478 -1.283 4.571 14.660 557 2HG PRO 478 1HG PRO 478 -1.480 5.237 16.292 558 1HD PRO 478 2HD PRO 478 0.947 4.863 15.156 559 2HD PRO 478 1HD PRO 478 0.679 4.706 16.902 560 H PHE 479 H PHE 479 0.960 0.651 14.382 561 HA PHE 479 HA PHE 479 -0.741 0.701 12.024 562 1HB PHE 479 2HB PHE 479 2.096 0.189 12.579 563 2HB PHE 479 1HB PHE 479 1.400 -0.883 11.368 564 HD1 PHE 479 1HD PHE 479 0.056 0.263 9.469 565 HD2 PHE 479 2HD PHE 479 2.863 2.273 11.958 566 HE1 PHE 479 1HE PHE 479 0.294 2.026 7.769 567 HE2 PHE 479 2HE PHE 479 3.106 4.039 10.263 568 HZ PHE 479 HZ PHE 479 1.821 3.917 8.166 569 H VAL 480 H VAL 480 -2.480 -0.629 12.649 570 HA VAL 480 HA VAL 480 -1.794 -3.445 13.159 571 HB VAL 480 HB VAL 480 -4.032 -3.722 14.097 572 1HG1 VAL 480 1HG1 VAL 480 -3.303 -3.081 16.104 573 2HG1 VAL 480 2HG1 VAL 480 -3.285 -1.377 15.645 574 3HG1 VAL 480 3HG1 VAL 480 -1.908 -2.408 15.260 575 1HG2 VAL 480 1HG2 VAL 480 -4.821 -1.627 12.622 576 2HG2 VAL 480 2HG2 VAL 480 -4.571 -0.813 14.168 577 3HG2 VAL 480 3HG2 VAL 480 -5.688 -2.173 14.057 578 H ASN 481 H ASN 481 -2.930 -5.097 12.060 579 HA ASN 481 HA ASN 481 -3.783 -6.115 10.209 580 1HB ASN 481 2HB ASN 481 -5.640 -4.098 10.986 581 2HB ASN 481 1HB ASN 481 -5.591 -4.133 9.226 582 1HD2 ASN 481 1HD2 ASN 481 -6.280 -5.954 8.140 583 2HD2 ASN 481 2HD2 ASN 481 -7.177 -7.213 8.911 584 H ARG 482 H ARG 482 -1.485 -4.276 9.926 585 HA ARG 482 HA ARG 482 -1.612 -4.010 7.019 586 1HB ARG 482 2HB ARG 482 -1.398 -1.798 8.928 587 2HB ARG 482 1HB ARG 482 -0.137 -1.794 7.703 588 1HG ARG 482 2HG ARG 482 -1.856 -0.479 6.819 589 2HG ARG 482 1HG ARG 482 -2.002 -2.034 5.996 590 1HD ARG 482 2HD ARG 482 -4.099 -2.222 6.702 591 2HD ARG 482 1HD ARG 482 -3.552 -2.142 8.375 592 HE ARG 482 HE ARG 482 -4.113 0.099 8.443 593 1HH1 ARG 482 1HH1 ARG 482 -4.496 -1.137 5.199 594 2HH1 ARG 482 2HH1 ARG 482 -5.396 0.235 4.652 595 1HH2 ARG 482 1HH2 ARG 482 -5.296 1.903 7.721 596 2HH2 ARG 482 2HH2 ARG 482 -5.851 1.960 6.081 597 H THR 483 H THR 483 -0.047 -5.321 6.349 598 HA THR 483 HA THR 483 2.301 -5.811 7.955 599 HB THR 483 HB THR 483 2.853 -7.116 5.680 600 HG1 THR 483 1HG THR 483 0.937 -7.783 4.711 601 1HG2 THR 483 1HG2 THR 483 1.883 -7.862 8.143 602 2HG2 THR 483 2HG2 THR 483 2.426 -8.942 6.859 603 3HG2 THR 483 3HG2 THR 483 0.715 -8.543 7.011 604 H ALA 484 H ALA 484 4.469 -5.861 6.721 605 HA ALA 484 HA ALA 484 5.165 -3.212 6.073 606 1HB ALA 484 1HB ALA 484 7.359 -4.104 5.480 607 2HB ALA 484 2HB ALA 484 6.706 -5.743 5.501 608 3HB ALA 484 3HB ALA 484 6.777 -4.801 6.992 609 H VAL 485 H VAL 485 3.896 -5.760 4.151 610 HA VAL 485 HA VAL 485 4.891 -4.862 1.630 611 HB VAL 485 HB VAL 485 2.489 -6.609 2.181 612 1HG1 VAL 485 1HG1 VAL 485 2.235 -6.136 -0.033 613 2HG1 VAL 485 2HG1 VAL 485 3.375 -7.475 -0.163 614 3HG1 VAL 485 3HG1 VAL 485 3.951 -5.811 -0.275 615 1HG2 VAL 485 1HG2 VAL 485 4.021 -8.010 3.041 616 2HG2 VAL 485 2HG2 VAL 485 5.372 -7.122 2.334 617 3HG2 VAL 485 3HG2 VAL 485 4.472 -8.283 1.359 618 H MET 486 H MET 486 1.864 -4.408 3.420 619 HA MET 486 HA MET 486 0.563 -2.948 1.351 620 1HB MET 486 2HB MET 486 0.043 -3.307 4.291 621 2HB MET 486 1HB MET 486 -0.934 -2.215 3.316 622 1HG MET 486 2HG MET 486 -1.447 -4.136 1.814 623 2HG MET 486 1HG MET 486 -0.618 -5.185 2.964 624 1HE MET 486 1HE MET 486 -3.431 -6.037 2.238 625 2HE MET 486 2HE MET 486 -3.907 -4.407 1.764 626 3HE MET 486 3HE MET 486 -4.790 -5.248 3.038 627 H ILE 487 H ILE 487 2.402 -2.019 4.226 628 HA ILE 487 HA ILE 487 1.945 0.745 4.090 629 HB ILE 487 HB ILE 487 4.419 -0.628 5.142 630 1HG1 ILE 487 2HG1 ILE 487 2.196 0.238 6.922 631 2HG1 ILE 487 1HG1 ILE 487 1.959 -1.234 5.988 632 1HG2 ILE 487 1HG2 ILE 487 4.551 1.840 4.804 633 2HG2 ILE 487 2HG2 ILE 487 4.755 1.324 6.479 634 3HG2 ILE 487 3HG2 ILE 487 3.220 2.012 5.949 635 1HD1 ILE 487 1HD1 ILE 487 2.944 -2.239 7.716 636 2HD1 ILE 487 2HD1 ILE 487 3.640 -0.736 8.317 637 3HD1 ILE 487 3HD1 ILE 487 4.445 -1.624 7.025 638 H LYS 488 H LYS 488 4.367 -1.295 2.539 639 HA LYS 488 HA LYS 488 5.840 0.907 1.448 640 1HB LYS 488 2HB LYS 488 6.455 -1.683 1.894 641 2HB LYS 488 1HB LYS 488 6.067 -1.758 0.180 642 1HG LYS 488 2HG LYS 488 7.789 0.489 0.819 643 2HG LYS 488 1HG LYS 488 8.494 -1.059 1.287 644 1HD LYS 488 2HD LYS 488 8.277 -1.909 -0.939 645 2HD LYS 488 1HD LYS 488 7.332 -0.503 -1.439 646 1HE LYS 488 2HE LYS 488 9.856 0.317 -0.320 647 2HE LYS 488 1HE LYS 488 10.106 -0.851 -1.617 648 1HZ LYS 488 1HZ LYS 488 8.178 1.251 -2.162 649 2HZ LYS 488 2HZ LYS 488 9.362 0.581 -3.165 650 3HZ LYS 488 3HZ LYS 488 9.788 1.755 -2.025 651 H ASP 489 H ASP 489 3.016 -0.818 0.530 652 HA ASP 489 HA ASP 489 3.197 -0.367 -2.283 653 1HB ASP 489 2HB ASP 489 1.318 -1.586 -0.424 654 2HB ASP 489 1HB ASP 489 0.498 -0.678 -1.692 655 H ARG 490 H ARG 490 1.639 1.332 0.404 656 HA ARG 490 HA ARG 490 0.404 3.266 -1.326 657 1HB ARG 490 2HB ARG 490 -0.611 4.125 0.569 658 2HB ARG 490 1HB ARG 490 -0.372 2.446 1.016 659 1HG ARG 490 2HG ARG 490 0.463 3.312 2.901 660 2HG ARG 490 1HG ARG 490 1.924 3.546 1.940 661 1HD ARG 490 2HD ARG 490 1.375 5.585 3.127 662 2HD ARG 490 1HD ARG 490 1.176 5.825 1.393 663 HE ARG 490 HE ARG 490 -0.947 5.691 3.400 664 1HH1 ARG 490 1HH1 ARG 490 -0.029 6.069 0.045 665 2HH1 ARG 490 2HH1 ARG 490 -1.563 6.717 -0.427 666 1HH2 ARG 490 1HH2 ARG 490 -2.966 6.521 2.765 667 2HH2 ARG 490 2HH2 ARG 490 -3.232 6.961 1.112 668 H TRP 491 H TRP 491 3.401 3.023 0.429 669 HA TRP 491 HA TRP 491 4.026 5.826 0.246 670 1HB TRP 491 2HB TRP 491 4.890 4.304 2.049 671 2HB TRP 491 1HB TRP 491 5.908 3.537 0.837 672 HD1 TRP 491 HD TRP 491 8.269 4.503 0.652 673 HE1 TRP 491 1HE TRP 491 9.418 6.706 1.327 674 HE3 TRP 491 3HE TRP 491 4.185 7.063 2.359 675 HZ2 TRP 491 2HZ TRP 491 8.689 9.198 2.435 676 HZ3 TRP 491 3HZ TRP 491 4.496 9.351 3.210 677 HH2 TRP 491 HH TRP 491 6.703 10.394 3.247 678 H ARG 492 H ARG 492 4.634 2.954 -1.644 679 HA ARG 492 HA ARG 492 6.662 4.146 -3.291 680 1HB ARG 492 2HB ARG 492 6.267 1.642 -2.796 681 2HB ARG 492 1HB ARG 492 5.032 1.734 -4.043 682 1HG ARG 492 2HG ARG 492 6.684 2.413 -5.674 683 2HG ARG 492 1HG ARG 492 7.937 2.425 -4.432 684 1HD ARG 492 2HD ARG 492 8.327 0.284 -4.878 685 2HD ARG 492 1HD ARG 492 6.716 -0.095 -4.275 686 HE ARG 492 HE ARG 492 5.903 -0.023 -6.514 687 1HH1 ARG 492 1HH1 ARG 492 9.385 0.216 -6.280 688 2HH1 ARG 492 2HH1 ARG 492 9.646 -0.266 -7.920 689 1HH2 ARG 492 1HH2 ARG 492 6.256 -0.651 -8.668 690 2HH2 ARG 492 2HH2 ARG 492 7.876 -0.753 -9.275 691 H THR 493 H THR 493 3.182 3.787 -3.430 692 HA THR 493 HA THR 493 2.950 4.567 -6.176 693 HB THR 493 HB THR 493 0.845 4.516 -4.004 694 HG1 THR 493 1HG THR 493 1.753 2.555 -5.822 695 1HG2 THR 493 1HG2 THR 493 -0.595 5.261 -5.500 696 2HG2 THR 493 2HG2 THR 493 -0.213 3.888 -6.539 697 3HG2 THR 493 3HG2 THR 493 0.690 5.394 -6.701 698 H MET 494 H MET 494 2.960 6.213 -3.097 699 HA MET 494 HA MET 494 1.930 8.687 -4.117 700 1HB MET 494 2HB MET 494 3.042 7.732 -1.528 701 2HB MET 494 1HB MET 494 3.091 9.463 -1.839 702 1HG MET 494 2HG MET 494 0.523 8.761 -2.546 703 2HG MET 494 1HG MET 494 0.853 7.755 -1.138 704 1HE MET 494 1HE MET 494 1.679 9.527 1.574 705 2HE MET 494 2HE MET 494 0.750 8.197 0.883 706 3HE MET 494 3HE MET 494 -0.082 9.596 1.563 707 H LYS 495 H LYS 495 5.087 7.250 -3.751 708 HA LYS 495 HA LYS 495 6.444 9.756 -4.328 709 1HB LYS 495 2HB LYS 495 7.168 7.594 -2.839 710 2HB LYS 495 1HB LYS 495 8.010 7.259 -4.347 711 1HG LYS 495 2HG LYS 495 8.398 10.001 -3.656 712 2HG LYS 495 1HG LYS 495 8.779 8.990 -2.261 713 1HD LYS 495 2HD LYS 495 10.599 8.099 -3.249 714 2HD LYS 495 1HD LYS 495 9.822 8.009 -4.830 715 1HE LYS 495 2HE LYS 495 10.072 10.678 -4.569 716 2HE LYS 495 1HE LYS 495 11.472 10.144 -3.641 717 1HZ LYS 495 1HZ LYS 495 10.958 9.962 -6.496 718 2HZ LYS 495 2HZ LYS 495 11.711 8.619 -5.799 719 3HZ LYS 495 3HZ LYS 495 12.422 10.148 -5.668 720 H ARG 496 H ARG 496 5.080 7.207 -6.090 721 HA ARG 496 HA ARG 496 6.931 7.305 -8.304 722 1HB ARG 496 2HB ARG 496 5.450 5.307 -7.556 723 2HB ARG 496 1HB ARG 496 4.177 6.119 -8.454 724 1HG ARG 496 2HG ARG 496 4.928 4.920 -10.181 725 2HG ARG 496 1HG ARG 496 6.200 6.143 -10.265 726 1HD ARG 496 2HD ARG 496 7.335 4.559 -8.476 727 2HD ARG 496 1HD ARG 496 6.302 3.352 -9.238 728 HE ARG 496 HE ARG 496 7.504 4.542 -11.344 729 1HH1 ARG 496 1HH1 ARG 496 8.722 3.123 -8.399 730 2HH1 ARG 496 2HH1 ARG 496 10.223 2.633 -9.109 731 1HH2 ARG 496 1HH2 ARG 496 9.478 3.899 -12.279 732 2HH2 ARG 496 2HH2 ARG 496 10.653 3.074 -11.311 733 H LEU 497 H LEU 497 3.585 8.358 -7.724 734 HA LEU 497 HA LEU 497 3.943 10.370 -9.834 735 1HB LEU 497 2HB LEU 497 1.842 8.284 -9.613 736 2HB LEU 497 1HB LEU 497 1.333 9.878 -10.139 737 HG LEU 497 HG LEU 497 3.692 8.860 -11.559 738 1HD1 LEU 497 1HD1 LEU 497 2.006 6.873 -11.049 739 2HD1 LEU 497 2HD1 LEU 497 2.825 7.039 -12.602 740 3HD1 LEU 497 3HD1 LEU 497 1.159 7.588 -12.423 741 1HD2 LEU 497 1HD2 LEU 497 2.080 10.888 -11.988 742 2HD2 LEU 497 2HD2 LEU 497 1.119 9.668 -12.823 743 3HD2 LEU 497 3HD2 LEU 497 2.776 9.985 -13.335 744 H GLY 498 H GLY 498 4.307 11.872 -8.134 745 1HA GLY 498 2HA GLY 498 2.258 13.495 -7.405 746 2HA GLY 498 1HA GLY 498 2.285 12.297 -6.122 747 H MET 499 H MET 499 4.523 11.931 -5.148 748 HA MET 499 HA MET 499 5.585 14.540 -4.442 749 1HB MET 499 2HB MET 499 6.142 11.783 -3.340 750 2HB MET 499 1HB MET 499 6.855 13.267 -2.719 751 1HG MET 499 2HG MET 499 4.232 13.901 -2.631 752 2HG MET 499 1HG MET 499 4.160 12.162 -2.352 753 1HE MET 499 1HE MET 499 2.944 12.756 -0.445 754 2HE MET 499 2HE MET 499 3.337 14.174 0.526 755 3HE MET 499 3HE MET 499 3.746 12.562 1.113 756 H ASN 500 H ASN 500 6.170 12.738 -6.987 757 HA ASN 500 HA ASN 500 9.050 12.521 -6.828 758 1HB ASN 500 2HB ASN 500 8.895 11.650 -9.120 759 2HB ASN 500 1HB ASN 500 7.771 10.820 -8.048 760 1HD2 ASN 500 1HD2 ASN 500 8.075 12.070 -11.024 761 2HD2 ASN 500 2HD2 ASN 500 6.426 12.447 -11.370 Start of MODEL 7 1 2H5* G 1 H5' GUA 1 8.752 -15.244 10.999 2 H4* G 1 H4' GUA 1 10.431 -13.411 11.403 3 H3* G 1 H3' GUA 1 8.053 -13.156 10.204 4 H1* G 1 H1' GUA 1 11.240 -11.909 8.314 5 H8 G 1 8H GUA 1 9.646 -15.108 6.881 6 H1 G 1 1H GUA 1 15.030 -13.153 3.995 7 1H2 G 1 1H2 GUA 1 15.158 -10.773 6.503 8 2H2 G 1 2H2 GUA 1 15.897 -11.447 5.067 9 2H2* G 1 H2' GUA 1 8.887 -11.808 8.006 10 H5T G 1 H5T GUA 1 9.824 -16.717 9.309 11 2H5* T 2 H5' THY 2 10.802 -8.940 10.572 12 H4* T 2 H4' THY 2 12.244 -7.876 9.188 13 H3* T 2 H3' THY 2 9.749 -6.897 8.884 14 2H2* T 2 H2' THY 2 9.813 -6.693 6.181 15 H1* T 2 H1' THY 2 11.899 -7.775 5.772 16 H3 T 2 3H THY 2 11.361 -10.737 2.490 17 1H5M T 2 1H7 THY 2 8.678 -13.301 5.607 18 2H5M T 2 2H7 THY 2 7.492 -12.382 4.649 19 3H5M T 2 3H7 THY 2 7.786 -11.953 6.350 20 H6 T 2 6H THY 2 9.294 -10.226 6.759 21 2H5* T 3 H5' THY 3 13.411 -4.360 6.277 22 H4* T 3 H4' THY 3 14.326 -4.591 4.188 23 H3* T 3 H3' THY 3 12.246 -2.879 4.247 24 2H2* T 3 H2' THY 3 11.091 -3.675 1.934 25 H1* T 3 H1' THY 3 12.501 -5.549 1.455 26 H3 T 3 3H THY 3 10.089 -9.157 0.430 27 1H5M T 3 1H7 THY 3 8.025 -8.953 4.700 28 2H5M T 3 2H7 THY 3 7.034 -7.720 3.879 29 3H5M T 3 3H7 THY 3 8.215 -7.234 5.119 30 H6 T 3 6H THY 3 10.000 -6.134 4.120 31 2H5* A 4 H5' ADE 4 14.695 -2.524 -0.509 32 H4* A 4 H4' ADE 4 14.513 -3.832 -2.429 33 H3* A 4 H3' ADE 4 12.870 -1.684 -2.283 34 H1* A 4 H1' ADE 4 11.579 -5.121 -3.476 35 H8 A 4 8H ADE 4 10.357 -4.279 0.115 36 1H6 A 4 1H6 ADE 4 7.183 -7.937 0.529 37 2H6 A 4 2H6 ADE 4 6.735 -9.260 -0.526 38 H2 A 4 2H ADE 4 9.221 -8.857 -4.237 39 2H2* A 4 H2' ADE 4 10.700 -2.892 -3.362 40 2H5* G 5 H5' GUA 5 13.269 -3.813 -6.877 41 H4* G 5 H4' GUA 5 12.182 -5.318 -8.160 42 H3* G 5 H3' GUA 5 11.068 -2.888 -8.482 43 H1* G 5 H1' GUA 5 8.814 -5.987 -7.885 44 H8 G 5 8H GUA 5 9.206 -3.774 -4.725 45 H1 G 5 1H GUA 5 4.801 -8.428 -4.403 46 1H2 G 5 1H2 GUA 5 5.862 -9.243 -7.594 47 2H2 G 5 2H2 GUA 5 4.789 -9.597 -6.258 48 2H2* G 5 H2' GUA 5 8.483 -3.685 -8.441 49 2H5* G 6 H5' GUA 6 9.320 -6.454 -11.596 50 H4* G 6 H4' GUA 6 7.554 -7.856 -11.816 51 H3* G 6 H3' GUA 6 6.973 -5.444 -12.862 52 H1* G 6 H1' GUA 6 4.434 -7.204 -10.523 53 H8 G 6 8H GUA 6 6.334 -4.309 -8.777 54 H1 G 6 1H GUA 6 1.482 -6.907 -5.484 55 1H2 G 6 1H2 GUA 6 1.200 -9.058 -8.180 56 2H2 G 6 2H2 GUA 6 0.603 -8.574 -6.609 57 2H2* G 6 H2' GUA 6 4.458 -5.240 -11.891 58 2H5* G 7 H5' GUA 7 3.437 -9.013 -14.091 59 H4* G 7 H4' GUA 7 1.456 -9.781 -13.217 60 H3* G 7 H3' GUA 7 1.134 -7.779 -14.974 61 H1* G 7 H1' GUA 7 -0.729 -7.638 -11.559 62 H8 G 7 8H GUA 7 2.417 -5.373 -11.699 63 H1 G 7 1H GUA 7 -1.405 -4.609 -6.605 64 1H2 G 7 1H2 GUA 7 -3.274 -7.166 -7.998 65 2H2 G 7 2H2 GUA 7 -3.081 -6.024 -6.687 66 2H2* G 7 H2' GUA 7 -0.728 -6.386 -13.588 67 2H5* T 8 H5' THY 8 -3.031 -9.877 -13.287 68 H4* T 8 H4' THY 8 -4.739 -9.563 -11.831 69 H3* T 8 H3' THY 8 -5.292 -8.407 -14.201 70 2H2* T 8 H2' THY 8 -6.367 -6.125 -13.213 71 H1* T 8 H1' THY 8 -5.895 -6.455 -10.898 72 H3 T 8 3H THY 8 -4.191 -2.652 -9.340 73 1H5M T 8 1H7 THY 8 -0.238 -4.344 -12.107 74 2H5M T 8 2H7 THY 8 -1.180 -3.816 -13.519 75 3H5M T 8 3H7 THY 8 -0.694 -2.634 -12.281 76 H6 T 8 6H THY 8 -2.732 -5.713 -12.692 77 2H5* T 9 H5' THY 9 -9.222 -8.639 -10.939 78 H4* T 9 H4' THY 9 -10.129 -7.294 -9.368 79 H3* T 9 H3' THY 9 -11.179 -6.715 -11.786 80 2H2* T 9 H2' THY 9 -11.161 -4.023 -11.518 81 H1* T 9 H1' THY 9 -9.988 -3.874 -9.437 82 H3 T 9 3H THY 9 -6.695 -0.877 -9.691 83 1H5M T 9 1H7 THY 9 -5.008 -4.158 -13.166 84 2H5M T 9 2H7 THY 9 -6.404 -3.714 -14.174 85 3H5M T 9 3H7 THY 9 -5.206 -2.481 -13.722 86 H6 T 9 6H THY 9 -7.836 -4.673 -12.343 87 2H5* A 10 H5' ADE 10 -13.667 -4.350 -7.889 88 H4* A 10 H4' ADE 10 -13.328 -2.329 -6.844 89 H3* A 10 H3' ADE 10 -15.130 -2.237 -8.863 90 H1* A 10 H1' ADE 10 -12.430 0.496 -8.466 91 H8 A 10 8H ADE 10 -11.718 -1.849 -11.477 92 1H6 A 10 1H6 ADE 10 -7.969 0.652 -13.302 93 2H6 A 10 2H6 ADE 10 -7.118 2.088 -12.777 94 H2 A 10 2H ADE 10 -9.067 3.434 -8.970 95 2H2* A 10 H2' ADE 10 -14.359 0.165 -9.850 96 2H5* G 11 H5' GUA 11 -15.648 2.052 -5.700 97 H4* G 11 H4' GUA 11 -14.213 3.892 -5.643 98 H3* G 11 H3' GUA 11 -16.518 4.189 -7.035 99 H1* G 11 H1' GUA 11 -13.150 5.435 -8.444 100 H8 G 11 8H GUA 11 -14.286 2.138 -10.143 101 H1 G 11 1H GUA 11 -9.408 5.234 -12.926 102 1H2 G 11 1H2 GUA 11 -9.759 7.500 -10.333 103 2H2 G 11 2H2 GUA 11 -8.899 7.041 -11.787 104 2H2* G 11 H2' GUA 11 -15.457 5.606 -9.081 105 2H5* G 12 H5' GUA 12 -14.473 8.802 -5.551 106 H4* G 12 H4' GUA 12 -12.717 9.988 -6.485 107 H3* G 12 H3' GUA 12 -15.165 10.877 -7.151 108 H1* G 12 H1' GUA 12 -12.478 10.395 -9.912 109 H8 G 12 8H GUA 12 -14.978 7.429 -9.745 110 H1 G 12 1H GUA 12 -11.321 7.772 -15.002 111 1H2 G 12 1H2 GUA 12 -9.969 10.588 -13.517 112 2H2 G 12 2H2 GUA 12 -9.974 9.502 -14.888 113 2H2* G 12 H2' GUA 12 -14.686 11.305 -9.776 114 2H5* G 13 H5' GUA 13 -11.536 14.360 -8.726 115 H4* G 13 H4' GUA 13 -10.219 14.604 -10.666 116 H3* G 13 H3' GUA 13 -12.476 16.048 -10.486 117 H1* G 13 H1' GUA 13 -11.719 14.089 -13.757 118 H8 G 13 8H GUA 13 -14.253 12.262 -11.452 119 H1 G 13 1H GUA 13 -13.729 10.022 -17.439 120 1H2 G 13 1H2 GUA 13 -11.343 12.495 -17.837 121 2H2 G 13 2H2 GUA 13 -12.228 11.168 -18.557 122 H3T G 13 H3T GUA 13 -11.195 17.269 -11.574 123 2H2* G 13 H2' GUA 13 -13.350 15.669 -13.018 124 2H5* C 14 H5' CYT 14 -12.550 6.888 -25.780 125 H4* C 14 H4' CYT 14 -11.326 8.940 -25.016 126 H3* C 14 H3' CYT 14 -10.663 6.393 -24.470 127 H1* C 14 H1' CYT 14 -10.971 8.964 -21.568 128 1H4 C 14 1H4 CYT 14 -16.386 7.106 -18.226 129 2H4 C 14 2H4 CYT 14 -15.657 8.437 -17.356 130 H5 C 14 5H CYT 14 -15.494 6.254 -20.312 131 H6 C 14 6H CYT 14 -13.728 6.507 -21.975 132 2H2* C 14 H2' CYT 14 -10.235 6.707 -21.815 133 H5T C 14 H5T CYT 14 -13.967 7.467 -23.386 134 2H5* C 15 H5' CYT 15 -6.874 9.631 -22.852 135 H4* C 15 H4' CYT 15 -6.480 10.739 -20.880 136 H3* C 15 H3' CYT 15 -5.341 8.302 -20.984 137 H1* C 15 H1' CYT 15 -7.337 9.362 -17.820 138 1H4 C 15 1H4 CYT 15 -12.829 5.650 -17.945 139 2H4 C 15 2H4 CYT 15 -12.747 6.427 -16.381 140 H5 C 15 5H CYT 15 -11.164 5.990 -19.672 141 H6 C 15 6H CYT 15 -9.090 7.143 -20.243 142 2H2* C 15 H2' CYT 15 -5.946 7.533 -18.459 143 2H5* C 16 H5' CYT 16 -4.030 11.249 -17.145 144 H4* C 16 H4' CYT 16 -4.632 11.472 -14.984 145 H3* C 16 H3' CYT 16 -2.561 9.774 -15.148 146 H1* C 16 H1' CYT 16 -5.678 8.776 -13.027 147 1H4 C 16 1H4 CYT 16 -8.616 3.987 -16.547 148 2H4 C 16 2H4 CYT 16 -9.295 3.955 -14.934 149 H5 C 16 5H CYT 16 -6.909 5.567 -17.225 150 H6 C 16 6H CYT 16 -5.511 7.428 -16.495 151 2H2* C 16 H2' CYT 16 -3.495 7.919 -13.403 152 2H5* T 17 H5' THY 17 -3.629 11.438 -10.319 153 H4* T 17 H4' THY 17 -5.200 10.621 -8.877 154 H3* T 17 H3' THY 17 -2.728 9.603 -8.418 155 2H2* T 17 H2' THY 17 -3.563 7.092 -7.833 156 H1* T 17 H1' THY 17 -5.878 7.365 -8.400 157 H3 T 17 3H THY 17 -7.141 3.860 -10.837 158 1H5M T 17 1H7 THY 17 -4.227 5.608 -14.315 159 2H5M T 17 2H7 THY 17 -2.849 6.040 -13.274 160 3H5M T 17 3H7 THY 17 -3.288 4.329 -13.507 161 H6 T 17 6H THY 17 -3.729 7.142 -11.414 162 2H5* A 18 H5' ADE 18 -5.974 8.425 -4.691 163 H4* A 18 H4' ADE 18 -7.012 6.647 -3.786 164 H3* A 18 H3' ADE 18 -4.423 6.521 -3.139 165 H1* A 18 H1' ADE 18 -6.105 3.342 -4.657 166 H8 A 18 8H ADE 18 -3.709 5.178 -7.070 167 1H6 A 18 1H6 ADE 18 -4.125 2.097 -10.806 168 2H6 A 18 2H6 ADE 18 -5.114 0.682 -11.089 169 H2 A 18 2H ADE 18 -7.626 0.104 -7.419 170 2H2* A 18 H2' ADE 18 -4.009 3.903 -3.693 171 2H5* A 19 H5' ADE 19 -7.406 3.072 -1.691 172 H4* A 19 H4' ADE 19 -8.085 0.955 -1.429 173 H3* A 19 H3' ADE 19 -5.776 1.162 -0.144 174 H1* A 19 H1' ADE 19 -5.933 -1.660 -2.987 175 H8 A 19 8H ADE 19 -3.927 1.565 -3.588 176 1H6 A 19 1H6 ADE 19 -2.589 0.634 -8.168 177 2H6 A 19 2H6 ADE 19 -2.989 -0.640 -9.297 178 H2 A 19 2H ADE 19 -5.859 -3.377 -7.201 179 2H2* A 19 H2' ADE 19 -4.588 -1.080 -1.182 180 2H5* C 20 H5' CYT 20 -7.830 -3.459 -0.198 181 H4* C 20 H4' CYT 20 -7.607 -5.295 -1.500 182 H3* C 20 H3' CYT 20 -5.842 -5.377 0.535 183 H1* C 20 H1' CYT 20 -4.686 -6.179 -3.078 184 1H4 C 20 1H4 CYT 20 -0.774 -1.123 -4.836 185 2H4 C 20 2H4 CYT 20 -0.669 -2.336 -6.091 186 H5 C 20 5H CYT 20 -2.188 -1.368 -2.883 187 H6 C 20 6H CYT 20 -3.779 -2.827 -1.745 188 2H2* C 20 H2' CYT 20 -3.727 -6.278 -0.889 189 2H5* C 21 H5' CYT 21 -6.420 -10.021 -1.791 190 H4* C 21 H4' CYT 21 -5.427 -10.933 -3.639 191 H3* C 21 H3' CYT 21 -4.167 -11.596 -1.357 192 H1* C 21 H1' CYT 21 -2.114 -10.389 -4.416 193 1H4 C 21 1H4 CYT 21 0.203 -4.412 -2.727 194 2H4 C 21 2H4 CYT 21 0.973 -4.874 -4.228 195 H5 C 21 5H CYT 21 -1.435 -5.800 -1.605 196 H6 C 21 6H CYT 21 -2.661 -7.907 -1.697 197 2H2* C 21 H2' CYT 21 -1.636 -11.296 -2.257 198 2H5* C 22 H5' CYT 22 -2.253 -14.221 -5.337 199 H4* C 22 H4' CYT 22 -0.409 -14.213 -6.673 200 H3* C 22 H3' CYT 22 0.069 -15.437 -4.324 201 H1* C 22 H1' CYT 22 2.599 -12.833 -5.695 202 1H4 C 22 1H4 CYT 22 2.093 -7.611 -1.644 203 2H4 C 22 2H4 CYT 22 3.424 -7.306 -2.737 204 H5 C 22 5H CYT 22 0.729 -9.610 -1.754 205 H6 C 22 6H CYT 22 0.371 -11.716 -2.933 206 2H2* C 22 H2' CYT 22 2.515 -14.375 -3.870 207 2H5* T 23 H5' THY 23 3.735 -15.707 -7.730 208 H4* T 23 H4' THY 23 5.692 -14.693 -8.233 209 H3* T 23 H3' THY 23 6.115 -16.700 -6.481 210 2H2* T 23 H2' THY 23 7.896 -15.396 -4.912 211 H1* T 23 H1' THY 23 7.754 -13.232 -5.922 212 H3 T 23 3H THY 23 7.377 -10.193 -2.691 213 1H5M T 23 1H7 THY 23 3.234 -13.625 -2.171 214 2H5M T 23 2H7 THY 23 3.004 -11.905 -1.774 215 3H5M T 23 3H7 THY 23 3.995 -12.939 -0.716 216 H6 T 23 6H THY 23 4.726 -13.966 -3.908 217 2H5* A 24 H5' ADE 24 10.457 -14.948 -8.722 218 H4* A 24 H4' ADE 24 11.902 -13.275 -8.189 219 H3* A 24 H3' ADE 24 12.667 -15.610 -7.086 220 H1* A 24 H1' ADE 24 12.630 -12.377 -4.947 221 H8 A 24 8H ADE 24 9.654 -14.739 -4.150 222 1H6 A 24 1H6 ADE 24 8.038 -12.353 -0.234 223 2H6 A 24 2H6 ADE 24 8.540 -10.878 0.563 224 H2 A 24 2H ADE 24 12.030 -9.277 -1.755 225 2H2* A 24 H2' ADE 24 13.370 -14.634 -4.664 226 2H5* A 25 H5' ADE 25 16.574 -12.039 -6.892 227 H4* A 25 H4' ADE 25 16.842 -10.289 -5.391 228 H3* A 25 H3' ADE 25 18.282 -12.510 -4.860 229 H1* A 25 H1' ADE 25 16.353 -10.691 -2.042 230 H8 A 25 8H ADE 25 14.500 -13.899 -3.228 231 1H6 A 25 1H6 ADE 25 11.334 -14.137 0.454 232 2H6 A 25 2H6 ADE 25 11.052 -13.132 1.856 233 H2 A 25 2H ADE 25 14.028 -9.782 1.674 234 2H2* A 25 H2' ADE 25 17.924 -12.494 -2.178 235 2H5* C 26 H5' CYT 26 19.770 -8.409 -2.071 236 H4* C 26 H4' CYT 26 19.065 -7.529 -0.043 237 H3* C 26 H3' CYT 26 21.275 -9.043 0.079 238 H1* C 26 H1' CYT 26 18.404 -9.677 2.636 239 1H4 C 26 1H4 CYT 26 15.723 -15.440 0.750 240 2H4 C 26 2H4 CYT 26 15.127 -15.075 2.353 241 H5 C 26 5H CYT 26 17.250 -13.989 -0.448 242 H6 C 26 6H CYT 26 18.508 -11.901 -0.350 243 H3T C 26 H3T CYT 26 19.847 -7.780 2.181 244 2H2* C 26 H2' CYT 26 20.635 -10.445 2.303 245 1H GLU 438 H GLU 438 -28.903 -6.722 -18.088 246 HA GLU 438 HA GLU 438 -27.848 -4.014 -18.373 247 1HB GLU 438 2HB GLU 438 -29.524 -3.228 -16.639 248 2HB GLU 438 1HB GLU 438 -30.160 -3.525 -18.251 249 1HG GLU 438 2HG GLU 438 -30.498 -5.951 -17.028 250 2HG GLU 438 1HG GLU 438 -30.800 -4.810 -15.717 251 H ASP 439 H ASP 439 -26.031 -4.080 -17.229 252 HA ASP 439 HA ASP 439 -26.116 -5.298 -14.551 253 1HB ASP 439 2HB ASP 439 -24.416 -5.975 -16.794 254 2HB ASP 439 1HB ASP 439 -23.452 -5.450 -15.417 255 H SER 440 H SER 440 -25.544 -3.974 -12.959 256 HA SER 440 HA SER 440 -24.725 -2.185 -11.819 257 1HB SER 440 2HB SER 440 -22.701 -2.764 -13.840 258 2HB SER 440 1HB SER 440 -22.713 -1.064 -13.374 259 HG SER 440 HG SER 440 -22.433 -1.684 -11.233 260 H THR 441 H THR 441 -25.514 -0.189 -11.596 261 HA THR 441 HA THR 441 -26.145 1.347 -14.026 262 HB THR 441 HB THR 441 -28.063 2.181 -12.272 263 HG1 THR 441 1HG THR 441 -28.005 0.707 -10.745 264 1HG2 THR 441 1HG2 THR 441 -29.633 1.188 -13.629 265 2HG2 THR 441 2HG2 THR 441 -28.627 -0.227 -13.936 266 3HG2 THR 441 3HG2 THR 441 -28.233 1.316 -14.696 267 H THR 442 H THR 442 -26.473 1.972 -10.540 268 HA THR 442 HA THR 442 -25.048 4.496 -10.920 269 HB THR 442 HB THR 442 -27.253 4.513 -9.787 270 HG1 THR 442 1HG THR 442 -25.500 6.030 -9.284 271 1HG2 THR 442 1HG2 THR 442 -25.981 2.516 -8.084 272 2HG2 THR 442 2HG2 THR 442 -27.688 2.850 -8.371 273 3HG2 THR 442 3HG2 THR 442 -26.787 3.815 -7.203 274 H ASN 443 H ASN 443 -24.316 1.380 -10.013 275 HA ASN 443 HA ASN 443 -22.500 0.415 -9.036 276 1HB ASN 443 2HB ASN 443 -21.582 3.013 -9.939 277 2HB ASN 443 1HB ASN 443 -20.712 2.499 -8.498 278 1HD2 ASN 443 1HD2 ASN 443 -21.728 1.392 -11.694 279 2HD2 ASN 443 2HD2 ASN 443 -20.353 0.389 -11.980 280 H ILE 444 H ILE 444 -21.388 0.173 -6.995 281 HA ILE 444 HA ILE 444 -22.900 1.407 -4.812 282 HB ILE 444 HB ILE 444 -20.970 -0.903 -4.616 283 1HG1 ILE 444 2HG1 ILE 444 -22.756 -1.486 -6.184 284 2HG1 ILE 444 1HG1 ILE 444 -22.954 -2.366 -4.672 285 1HG2 ILE 444 1HG2 ILE 444 -21.555 0.358 -2.543 286 2HG2 ILE 444 2HG2 ILE 444 -22.012 -1.346 -2.512 287 3HG2 ILE 444 3HG2 ILE 444 -23.237 -0.110 -2.797 288 1HD1 ILE 444 1HD1 ILE 444 -25.089 -1.588 -5.461 289 2HD1 ILE 444 2HD1 ILE 444 -24.490 0.070 -5.541 290 3HD1 ILE 444 3HD1 ILE 444 -24.658 -0.732 -3.980 291 H THR 445 H THR 445 -19.681 1.166 -6.134 292 HA THR 445 HA THR 445 -17.694 2.146 -5.588 293 HB THR 445 HB THR 445 -17.773 4.441 -4.930 294 HG1 THR 445 1HG THR 445 -19.598 5.347 -3.987 295 1HG2 THR 445 1HG2 THR 445 -19.615 3.468 -6.900 296 2HG2 THR 445 2HG2 THR 445 -18.634 4.934 -6.902 297 3HG2 THR 445 3HG2 THR 445 -20.229 4.939 -6.147 298 H LYS 446 H LYS 446 -17.019 0.498 -4.155 299 HA LYS 446 HA LYS 446 -17.025 1.343 -1.340 300 1HB LYS 446 2HB LYS 446 -18.349 -0.914 -2.337 301 2HB LYS 446 1HB LYS 446 -16.880 -1.538 -1.600 302 1HG LYS 446 2HG LYS 446 -17.626 -1.164 0.466 303 2HG LYS 446 1HG LYS 446 -18.220 0.446 0.054 304 1HD LYS 446 2HD LYS 446 -20.088 -0.909 -1.198 305 2HD LYS 446 1HD LYS 446 -19.615 -2.188 -0.080 306 1HE LYS 446 2HE LYS 446 -19.865 0.254 1.372 307 2HE LYS 446 1HE LYS 446 -21.315 0.027 0.393 308 1HZ LYS 446 1HZ LYS 446 -20.961 -1.071 2.793 309 2HZ LYS 446 2HZ LYS 446 -20.380 -2.324 1.813 310 3HZ LYS 446 3HZ LYS 446 -21.954 -1.743 1.597 311 H LYS 447 H LYS 447 -14.961 2.118 -1.332 312 HA LYS 447 HA LYS 447 -12.846 0.112 -1.653 313 1HB LYS 447 2HB LYS 447 -13.130 1.774 -3.650 314 2HB LYS 447 1HB LYS 447 -12.367 2.927 -2.566 315 1HG LYS 447 2HG LYS 447 -10.450 2.175 -3.406 316 2HG LYS 447 1HG LYS 447 -10.704 0.769 -2.366 317 1HD LYS 447 2HD LYS 447 -11.706 -0.462 -4.157 318 2HD LYS 447 1HD LYS 447 -11.747 0.963 -5.193 319 1HE LYS 447 2HE LYS 447 -9.340 0.968 -5.360 320 2HE LYS 447 1HE LYS 447 -9.213 -0.339 -4.182 321 1HZ LYS 447 1HZ LYS 447 -8.968 -1.113 -6.472 322 2HZ LYS 447 2HZ LYS 447 -10.528 -0.561 -6.835 323 3HZ LYS 447 3HZ LYS 447 -10.311 -1.813 -5.718 324 H GLN 448 H GLN 448 -11.343 0.146 -0.078 325 HA GLN 448 HA GLN 448 -11.610 2.225 1.977 326 1HB GLN 448 2HB GLN 448 -11.447 -0.566 2.153 327 2HB GLN 448 1HB GLN 448 -9.882 0.013 2.704 328 1HG GLN 448 2HG GLN 448 -10.714 0.767 4.623 329 2HG GLN 448 1HG GLN 448 -12.101 1.515 3.831 330 1HE2 GLN 448 1HE2 GLN 448 -10.873 -1.317 5.401 331 2HE2 GLN 448 2HE2 GLN 448 -12.387 -2.135 5.568 332 H LYS 449 H LYS 449 -10.371 3.796 0.858 333 HA LYS 449 HA LYS 449 -7.664 3.233 0.091 334 1HB LYS 449 2HB LYS 449 -7.548 5.650 -0.412 335 2HB LYS 449 1HB LYS 449 -8.929 4.866 -1.166 336 1HG LYS 449 2HG LYS 449 -9.972 5.723 1.216 337 2HG LYS 449 1HG LYS 449 -8.833 7.007 0.811 338 1HD LYS 449 2HD LYS 449 -10.472 7.830 -0.474 339 2HD LYS 449 1HD LYS 449 -10.079 6.522 -1.590 340 1HE LYS 449 2HE LYS 449 -11.898 5.278 -0.988 341 2HE LYS 449 1HE LYS 449 -11.932 5.924 0.652 342 1HZ LYS 449 1HZ LYS 449 -12.655 7.547 -1.718 343 2HZ LYS 449 2HZ LYS 449 -12.955 7.894 -0.089 344 3HZ LYS 449 3HZ LYS 449 -13.793 6.639 -0.854 345 H TRP 450 H TRP 450 -7.283 2.388 2.374 346 HA TRP 450 HA TRP 450 -6.316 2.568 4.434 347 1HB TRP 450 2HB TRP 450 -4.969 4.427 2.593 348 2HB TRP 450 1HB TRP 450 -4.580 4.632 4.298 349 HD1 TRP 450 HD TRP 450 -4.885 1.562 1.928 350 HE1 TRP 450 1HE TRP 450 -2.863 0.034 2.351 351 HE3 TRP 450 3HE TRP 450 -2.562 4.290 5.573 352 HZ2 TRP 450 2HZ TRP 450 -0.577 -0.010 4.013 353 HZ3 TRP 450 3HZ TRP 450 -0.463 3.434 6.528 354 HH2 TRP 450 HH TRP 450 0.508 1.331 5.763 355 H THR 451 H THR 451 -5.665 4.206 6.244 356 HA THR 451 HA THR 451 -7.995 5.938 6.670 357 HB THR 451 HB THR 451 -6.174 5.449 8.934 358 HG1 THR 451 1HG THR 451 -7.620 3.323 7.745 359 1HG2 THR 451 1HG2 THR 451 -9.036 5.762 8.461 360 2HG2 THR 451 2HG2 THR 451 -8.056 6.187 9.864 361 3HG2 THR 451 3HG2 THR 451 -8.626 4.533 9.657 362 H VAL 452 H VAL 452 -7.524 7.912 8.074 363 HA VAL 452 HA VAL 452 -5.438 9.424 6.762 364 HB VAL 452 HB VAL 452 -6.339 11.374 7.910 365 1HG1 VAL 452 1HG1 VAL 452 -7.498 10.052 5.888 366 2HG1 VAL 452 2HG1 VAL 452 -8.116 11.575 6.528 367 3HG1 VAL 452 3HG1 VAL 452 -8.831 10.046 7.044 368 1HG2 VAL 452 1HG2 VAL 452 -7.097 9.700 9.901 369 2HG2 VAL 452 2HG2 VAL 452 -8.637 9.965 9.084 370 3HG2 VAL 452 3HG2 VAL 452 -7.713 11.338 9.691 371 H GLU 453 H GLU 453 -5.823 7.757 9.740 372 HA GLU 453 HA GLU 453 -3.787 9.287 11.127 373 1HB GLU 453 2HB GLU 453 -5.496 6.923 11.836 374 2HB GLU 453 1HB GLU 453 -4.116 7.362 12.834 375 1HG GLU 453 2HG GLU 453 -5.436 9.752 12.521 376 2HG GLU 453 1HG GLU 453 -6.747 8.580 12.640 377 H GLU 454 H GLU 454 -4.167 6.062 9.723 378 HA GLU 454 HA GLU 454 -1.648 5.052 10.433 379 1HB GLU 454 2HB GLU 454 -3.451 4.373 8.109 380 2HB GLU 454 1HB GLU 454 -2.018 3.450 8.539 381 1HG GLU 454 2HG GLU 454 -3.682 3.793 10.845 382 2HG GLU 454 1HG GLU 454 -4.629 3.141 9.510 383 H SER 455 H SER 455 -2.706 6.968 7.677 384 HA SER 455 HA SER 455 -0.287 6.727 6.203 385 1HB SER 455 2HB SER 455 -2.623 8.623 6.063 386 2HB SER 455 1HB SER 455 -1.205 8.838 5.037 387 HG SER 455 HG SER 455 -2.978 7.540 4.146 388 H GLU 456 H GLU 456 -1.312 8.768 8.816 389 HA GLU 456 HA GLU 456 0.626 10.823 8.431 390 1HB GLU 456 2HB GLU 456 -1.492 11.043 9.784 391 2HB GLU 456 1HB GLU 456 -0.721 10.065 11.027 392 1HG GLU 456 2HG GLU 456 0.460 11.784 11.799 393 2HG GLU 456 1HG GLU 456 0.920 12.310 10.181 394 H TRP 457 H TRP 457 0.531 7.836 10.291 395 HA TRP 457 HA TRP 457 2.967 8.255 11.686 396 1HB TRP 457 2HB TRP 457 1.740 5.576 11.020 397 2HB TRP 457 1HB TRP 457 2.770 5.984 12.389 398 HD1 TRP 457 HD TRP 457 1.076 8.703 13.119 399 HE1 TRP 457 1HE TRP 457 -1.166 8.410 14.349 400 HE3 TRP 457 3HE TRP 457 0.134 3.822 11.935 401 HZ2 TRP 457 2HZ TRP 457 -3.081 6.377 14.762 402 HZ3 TRP 457 3HZ TRP 457 -1.927 2.779 12.783 403 HH2 TRP 457 HH TRP 457 -3.499 4.031 14.169 404 H VAL 458 H VAL 458 2.158 6.927 8.560 405 HA VAL 458 HA VAL 458 4.688 5.691 8.080 406 HB VAL 458 HB VAL 458 2.659 6.592 6.030 407 1HG1 VAL 458 1HG1 VAL 458 3.687 4.599 4.792 408 2HG1 VAL 458 2HG1 VAL 458 5.011 4.730 5.952 409 3HG1 VAL 458 3HG1 VAL 458 4.634 6.083 4.887 410 1HG2 VAL 458 1HG2 VAL 458 2.565 4.454 7.998 411 2HG2 VAL 458 2HG2 VAL 458 2.395 3.860 6.345 412 3HG2 VAL 458 3HG2 VAL 458 1.291 5.093 6.957 413 H LYS 459 H LYS 459 3.382 8.891 7.607 414 HA LYS 459 HA LYS 459 5.400 9.793 5.803 415 1HB LYS 459 2HB LYS 459 3.133 10.841 6.058 416 2HB LYS 459 1HB LYS 459 3.661 11.481 7.609 417 1HG LYS 459 2HG LYS 459 4.966 13.069 6.666 418 2HG LYS 459 1HG LYS 459 5.383 12.061 5.279 419 1HD LYS 459 2HD LYS 459 3.630 12.790 4.059 420 2HD LYS 459 1HD LYS 459 2.554 12.854 5.454 421 1HE LYS 459 2HE LYS 459 3.740 14.918 6.189 422 2HE LYS 459 1HE LYS 459 4.649 14.877 4.681 423 1HZ LYS 459 1HZ LYS 459 2.335 16.180 5.016 424 2HZ LYS 459 2HZ LYS 459 1.779 14.717 4.374 425 3HZ LYS 459 3HZ LYS 459 2.909 15.639 3.519 426 H ALA 460 H ALA 460 4.940 10.004 9.304 427 HA ALA 460 HA ALA 460 7.378 11.508 9.677 428 1HB ALA 460 1HB ALA 460 5.376 11.790 11.132 429 2HB ALA 460 2HB ALA 460 6.867 11.462 12.017 430 3HB ALA 460 3HB ALA 460 5.680 10.179 11.782 431 H GLY 461 H GLY 461 6.392 8.169 9.735 432 1HA GLY 461 2HA GLY 461 8.487 7.091 11.267 433 2HA GLY 461 1HA GLY 461 7.569 6.222 10.047 434 H VAL 462 H VAL 462 8.243 7.606 7.759 435 HA VAL 462 HA VAL 462 10.897 6.592 7.298 436 HB VAL 462 HB VAL 462 9.163 8.151 5.382 437 1HG1 VAL 462 1HG1 VAL 462 11.672 7.773 4.952 438 2HG1 VAL 462 2HG1 VAL 462 10.532 7.361 3.670 439 3HG1 VAL 462 3HG1 VAL 462 11.223 6.089 4.680 440 1HG2 VAL 462 1HG2 VAL 462 8.931 5.553 4.617 441 2HG2 VAL 462 2HG2 VAL 462 7.749 6.417 5.598 442 3HG2 VAL 462 3HG2 VAL 462 8.959 5.395 6.373 443 H GLN 463 H GLU 463 9.405 9.713 7.764 444 HA GLN 463 HA GLU 463 11.594 11.261 6.792 445 1HB GLN 463 2HB GLU 463 9.234 12.087 7.011 446 2HB GLN 463 1HB GLU 463 9.464 12.127 8.753 447 1HG GLN 463 2HG GLU 463 10.005 14.267 8.349 448 2HG GLN 463 1HG GLU 463 11.584 13.574 7.982 449 H LYS 464 H LYS 464 11.018 9.566 9.718 450 HA LYS 464 HA LYS 464 13.173 11.055 11.058 451 1HB LYS 464 2HB LYS 464 10.768 9.603 12.053 452 2HB LYS 464 1HB LYS 464 12.203 9.611 13.070 453 1HG LYS 464 2HG LYS 464 11.939 12.250 12.316 454 2HG LYS 464 1HG LYS 464 10.276 11.715 12.554 455 1HD LYS 464 2HD LYS 464 11.250 10.674 14.752 456 2HD LYS 464 1HD LYS 464 12.522 11.874 14.512 457 1HE LYS 464 2HE LYS 464 10.191 13.300 14.100 458 2HE LYS 464 1HE LYS 464 9.782 12.212 15.426 459 1HZ LYS 464 1HZ LYS 464 10.697 14.314 16.212 460 2HZ LYS 464 2HZ LYS 464 12.133 14.025 15.366 461 3HZ LYS 464 3HZ LYS 464 11.689 13.014 16.649 462 H TYR 465 H TYR 465 11.938 7.746 10.584 463 HA TYR 465 HA TYR 465 14.491 6.633 11.412 464 1HB TYR 465 2HB TYR 465 11.937 5.297 10.492 465 2HB TYR 465 1HB TYR 465 13.369 4.445 11.058 466 HD1 TYR 465 1HD TYR 465 10.354 6.162 12.012 467 HD2 TYR 465 2HD TYR 465 14.116 4.780 13.443 468 HE1 TYR 465 1HE TYR 465 9.530 6.330 14.322 469 HE2 TYR 465 2HE TYR 465 13.302 4.943 15.759 470 HH TYR 465 HH TYR 465 10.380 6.537 16.571 471 H GLY 466 H GLY 466 12.502 6.823 8.479 472 1HA GLY 466 2HA GLY 466 13.793 7.240 6.401 473 2HA GLY 466 1HA GLY 466 14.886 5.976 6.946 474 H GLU 467 H GLU 467 14.157 5.451 4.572 475 HA GLU 467 HA GLU 467 11.636 3.998 4.489 476 1HB GLU 467 2HB GLU 467 12.877 5.472 2.608 477 2HB GLU 467 1HB GLU 467 13.513 3.884 2.196 478 1HG GLU 467 2HG GLU 467 10.935 3.250 2.410 479 2HG GLU 467 1HG GLU 467 10.766 4.949 1.972 480 H GLY 468 H GLY 468 11.429 1.794 4.215 481 1HA GLY 468 2HA GLY 468 12.267 -0.396 3.822 482 2HA GLY 468 1HA GLY 468 13.880 0.182 4.209 483 H ASN 469 H ASN 469 12.441 1.585 6.601 484 HA ASN 469 HA ASN 469 12.663 -0.750 8.363 485 1HB ASN 469 2HB ASN 469 13.555 1.988 8.557 486 2HB ASN 469 1HB ASN 469 12.522 1.589 9.927 487 1HD2 ASN 469 1HD2 ASN 469 13.228 0.178 11.456 488 2HD2 ASN 469 2HD2 ASN 469 14.829 -0.468 11.490 489 H TRP 470 H TRP 470 10.437 -1.273 7.524 490 HA TRP 470 HA TRP 470 8.279 0.343 8.597 491 1HB TRP 470 2HB TRP 470 7.942 -2.362 7.328 492 2HB TRP 470 1HB TRP 470 6.812 -1.014 7.362 493 HD1 TRP 470 HD TRP 470 9.015 -2.708 5.046 494 HE1 TRP 470 1HE TRP 470 9.604 -1.222 3.028 495 HE3 TRP 470 3HE TRP 470 7.500 1.810 6.898 496 HZ2 TRP 470 2HZ TRP 470 9.446 1.505 2.317 497 HZ3 TRP 470 3HZ TRP 470 7.754 3.808 5.484 498 HH2 TRP 470 HH TRP 470 8.707 3.658 3.241 499 H ALA 471 H ALA 471 9.922 -2.663 9.277 500 HA ALA 471 HA ALA 471 8.187 -3.939 10.987 501 1HB ALA 471 1HB ALA 471 11.189 -3.751 11.235 502 2HB ALA 471 2HB ALA 471 10.282 -4.944 10.302 503 3HB ALA 471 3HB ALA 471 10.170 -4.929 12.061 504 H ALA 472 H ALA 472 10.346 -1.237 11.721 505 HA ALA 472 HA ALA 472 9.693 -1.243 14.525 506 1HB ALA 472 1HB ALA 472 11.077 0.714 14.686 507 2HB ALA 472 2HB ALA 472 11.063 0.924 12.935 508 3HB ALA 472 3HB ALA 472 11.884 -0.465 13.652 509 H ILE 473 H ILE 473 8.748 0.654 11.689 510 HA ILE 473 HA ILE 473 7.266 2.636 12.978 511 HB ILE 473 HB ILE 473 6.714 1.407 10.271 512 1HG1 ILE 473 2HG1 ILE 473 8.272 3.920 10.875 513 2HG1 ILE 473 1HG1 ILE 473 9.046 2.347 10.709 514 1HG2 ILE 473 1HG2 ILE 473 5.932 4.110 11.353 515 2HG2 ILE 473 2HG2 ILE 473 4.843 2.737 11.164 516 3HG2 ILE 473 3HG2 ILE 473 5.580 3.479 9.746 517 1HD1 ILE 473 1HD1 ILE 473 8.832 4.018 8.686 518 2HD1 ILE 473 2HD1 ILE 473 7.253 3.251 8.529 519 3HD1 ILE 473 3HD1 ILE 473 8.718 2.272 8.462 520 H SER 474 H SER 474 6.328 -0.610 11.935 521 HA SER 474 HA SER 474 3.591 -0.250 12.778 522 1HB SER 474 2HB SER 474 4.397 -1.745 10.853 523 2HB SER 474 1HB SER 474 4.896 -2.885 12.103 524 HG SER 474 HG SER 474 2.280 -1.911 11.601 525 H LYS 475 H LYS 475 6.541 -1.275 14.214 526 HA LYS 475 HA LYS 475 5.223 -2.733 16.358 527 1HB LYS 475 2HB LYS 475 7.425 -3.435 15.308 528 2HB LYS 475 1HB LYS 475 8.154 -2.065 16.133 529 1HG LYS 475 2HG LYS 475 6.949 -3.204 18.220 530 2HG LYS 475 1HG LYS 475 7.179 -4.636 17.215 531 1HD LYS 475 2HD LYS 475 9.381 -4.677 17.605 532 2HD LYS 475 1HD LYS 475 9.546 -2.944 17.312 533 1HE LYS 475 2HE LYS 475 9.713 -2.557 19.492 534 2HE LYS 475 1HE LYS 475 8.166 -3.355 19.783 535 1HZ LYS 475 1HZ LYS 475 10.372 -5.158 19.308 536 2HZ LYS 475 2HZ LYS 475 9.175 -5.203 20.501 537 3HZ LYS 475 3HZ LYS 475 10.536 -4.221 20.707 538 H ASN 476 H ASN 476 5.805 0.471 15.703 539 HA ASN 476 HA ASN 476 5.981 1.119 18.573 540 1HB ASN 476 2HB ASN 476 7.863 1.813 16.821 541 2HB ASN 476 1HB ASN 476 6.752 3.151 16.536 542 1HD2 ASN 476 1HD2 ASN 476 8.589 4.399 17.352 543 2HD2 ASN 476 2HD2 ASN 476 8.746 4.617 19.059 544 H TYR 477 H TYR 477 4.303 1.668 15.569 545 HA TYR 477 HA TYR 477 2.652 3.751 16.781 546 1HB TYR 477 2HB TYR 477 3.055 2.777 13.980 547 2HB TYR 477 1HB TYR 477 1.573 3.633 14.388 548 HD1 TYR 477 1HD TYR 477 1.719 5.970 15.286 549 HD2 TYR 477 2HD TYR 477 5.094 3.943 13.674 550 HE1 TYR 477 1HE TYR 477 2.882 8.122 15.028 551 HE2 TYR 477 2HE TYR 477 6.265 6.090 13.412 552 HH TYR 477 HH TYR 477 5.513 8.793 14.924 553 HA PRO 478 HA PRO 478 -0.837 1.206 17.597 554 1HB PRO 478 2HB PRO 478 -2.720 3.104 16.425 555 2HB PRO 478 1HB PRO 478 -2.430 2.729 18.123 556 1HG PRO 478 2HG PRO 478 -1.744 5.099 17.007 557 2HG PRO 478 1HG PRO 478 -0.845 4.373 18.351 558 1HD PRO 478 2HD PRO 478 -0.195 4.388 15.428 559 2HD PRO 478 1HD PRO 478 0.880 4.630 16.820 560 H PHE 479 H PHE 479 0.248 0.165 15.366 561 HA PHE 479 HA PHE 479 -1.697 0.100 13.224 562 1HB PHE 479 2HB PHE 479 1.004 -1.127 13.668 563 2HB PHE 479 1HB PHE 479 -0.042 -1.749 12.397 564 HD1 PHE 479 1HD PHE 479 1.916 1.122 13.545 565 HD2 PHE 479 2HD PHE 479 -0.507 -0.459 10.426 566 HE1 PHE 479 1HE PHE 479 2.670 2.925 12.050 567 HE2 PHE 479 2HE PHE 479 0.244 1.340 8.924 568 HZ PHE 479 HZ PHE 479 1.836 3.034 9.736 569 H VAL 480 H VAL 480 -2.881 -1.747 12.582 570 HA VAL 480 HA VAL 480 -3.255 -3.715 14.743 571 HB VAL 480 HB VAL 480 -5.294 -3.009 12.635 572 1HG1 VAL 480 1HG1 VAL 480 -6.061 -4.976 13.467 573 2HG1 VAL 480 2HG1 VAL 480 -6.707 -3.910 14.714 574 3HG1 VAL 480 3HG1 VAL 480 -5.207 -4.791 14.998 575 1HG2 VAL 480 1HG2 VAL 480 -5.383 -1.016 13.687 576 2HG2 VAL 480 2HG2 VAL 480 -4.575 -1.622 15.132 577 3HG2 VAL 480 3HG2 VAL 480 -6.294 -1.923 14.892 578 H ASN 481 H ASN 481 -4.033 -3.594 11.260 579 HA ASN 481 HA ASN 481 -2.593 -6.136 10.938 580 1HB ASN 481 2HB ASN 481 -4.443 -6.784 9.300 581 2HB ASN 481 1HB ASN 481 -4.850 -6.842 11.012 582 1HD2 ASN 481 1HD2 ASN 481 -6.717 -5.983 11.525 583 2HD2 ASN 481 2HD2 ASN 481 -7.546 -4.741 10.656 584 H ARG 482 H ARG 482 -1.087 -4.250 10.263 585 HA ARG 482 HA ARG 482 -1.341 -3.965 7.349 586 1HB ARG 482 2HB ARG 482 -1.452 -1.851 9.257 587 2HB ARG 482 1HB ARG 482 0.064 -1.703 8.379 588 1HG ARG 482 2HG ARG 482 -1.504 -0.409 7.199 589 2HG ARG 482 1HG ARG 482 -1.289 -1.886 6.256 590 1HD ARG 482 2HD ARG 482 -3.556 -1.832 6.253 591 2HD ARG 482 1HD ARG 482 -3.331 -2.663 7.790 592 HE ARG 482 HE ARG 482 -3.354 -0.066 8.515 593 1HH1 ARG 482 1HH1 ARG 482 -5.513 -1.991 6.559 594 2HH1 ARG 482 2HH1 ARG 482 -6.917 -1.066 6.976 595 1HH2 ARG 482 1HH2 ARG 482 -5.200 1.151 9.064 596 2HH2 ARG 482 2HH2 ARG 482 -6.739 0.717 8.396 597 H THR 483 H THR 483 0.136 -5.623 7.020 598 HA THR 483 HA THR 483 2.630 -5.836 8.319 599 HB THR 483 HB THR 483 3.130 -7.137 6.041 600 HG1 THR 483 1HG THR 483 1.152 -7.910 5.200 601 1HG2 THR 483 1HG2 THR 483 2.183 -7.889 8.542 602 2HG2 THR 483 2HG2 THR 483 2.840 -8.938 7.286 603 3HG2 THR 483 3HG2 THR 483 1.101 -8.666 7.387 604 H ALA 484 H ALA 484 4.735 -5.801 6.998 605 HA ALA 484 HA ALA 484 5.271 -3.126 6.274 606 1HB ALA 484 1HB ALA 484 6.984 -4.607 7.208 607 2HB ALA 484 2HB ALA 484 7.499 -3.905 5.675 608 3HB ALA 484 3HB ALA 484 6.947 -5.578 5.735 609 H VAL 485 H VAL 485 4.118 -5.806 4.449 610 HA VAL 485 HA VAL 485 5.027 -4.995 1.886 611 HB VAL 485 HB VAL 485 2.611 -6.683 2.558 612 1HG1 VAL 485 1HG1 VAL 485 2.302 -7.004 0.372 613 2HG1 VAL 485 2HG1 VAL 485 4.021 -7.279 0.091 614 3HG1 VAL 485 3HG1 VAL 485 3.383 -5.635 0.114 615 1HG2 VAL 485 1HG2 VAL 485 4.125 -8.110 3.390 616 2HG2 VAL 485 2HG2 VAL 485 5.477 -7.225 2.687 617 3HG2 VAL 485 3HG2 VAL 485 4.581 -8.389 1.710 618 H MET 486 H MET 486 2.149 -4.288 3.788 619 HA MET 486 HA MET 486 0.766 -2.950 1.676 620 1HB MET 486 2HB MET 486 0.380 -3.107 4.655 621 2HB MET 486 1HB MET 486 -0.606 -2.041 3.662 622 1HG MET 486 2HG MET 486 -0.843 -4.356 2.292 623 2HG MET 486 1HG MET 486 -0.662 -4.964 3.938 624 1HE MET 486 1HE MET 486 -3.298 -4.186 1.414 625 2HE MET 486 2HE MET 486 -4.550 -4.690 2.550 626 3HE MET 486 3HE MET 486 -3.096 -5.668 2.350 627 H ILE 487 H ILE 487 2.597 -1.846 4.514 628 HA ILE 487 HA ILE 487 2.285 0.902 4.129 629 HB ILE 487 HB ILE 487 4.679 -0.511 5.316 630 1HG1 ILE 487 2HG1 ILE 487 2.537 0.688 6.997 631 2HG1 ILE 487 1HG1 ILE 487 2.168 -0.834 6.189 632 1HG2 ILE 487 1HG2 ILE 487 4.398 1.827 6.675 633 2HG2 ILE 487 2HG2 ILE 487 3.922 2.308 5.046 634 3HG2 ILE 487 3HG2 ILE 487 5.503 1.575 5.323 635 1HD1 ILE 487 1HD1 ILE 487 4.058 -1.891 7.263 636 2HD1 ILE 487 2HD1 ILE 487 3.004 -1.153 8.467 637 3HD1 ILE 487 3HD1 ILE 487 4.514 -0.361 8.013 638 H LYS 488 H LYS 488 4.621 -1.359 2.764 639 HA LYS 488 HA LYS 488 6.354 0.524 1.604 640 1HB LYS 488 2HB LYS 488 6.336 -2.190 1.824 641 2HB LYS 488 1HB LYS 488 5.964 -1.991 0.115 642 1HG LYS 488 2HG LYS 488 8.240 -0.462 1.272 643 2HG LYS 488 1HG LYS 488 8.438 -2.186 0.952 644 1HD LYS 488 2HD LYS 488 7.403 -0.262 -1.114 645 2HD LYS 488 1HD LYS 488 9.123 -0.599 -0.908 646 1HE LYS 488 2HE LYS 488 8.871 -2.360 -2.242 647 2HE LYS 488 1HE LYS 488 7.865 -3.099 -0.997 648 1HZ LYS 488 1HZ LYS 488 6.104 -1.485 -2.171 649 2HZ LYS 488 2HZ LYS 488 6.346 -3.094 -2.634 650 3HZ LYS 488 3HZ LYS 488 7.094 -1.845 -3.494 651 H ASP 489 H ASP 489 3.497 -1.127 0.303 652 HA ASP 489 HA ASP 489 3.608 -0.191 -2.311 653 1HB ASP 489 2HB ASP 489 1.486 -1.228 -0.525 654 2HB ASP 489 1HB ASP 489 0.936 -0.308 -1.923 655 H ARG 490 H ARG 490 2.135 1.308 0.546 656 HA ARG 490 HA ARG 490 0.935 3.488 -0.712 657 1HB ARG 490 2HB ARG 490 1.634 2.716 2.002 658 2HB ARG 490 1HB ARG 490 1.793 4.451 1.758 659 1HG ARG 490 2HG ARG 490 -0.673 3.250 0.699 660 2HG ARG 490 1HG ARG 490 -0.498 3.219 2.453 661 1HD ARG 490 2HD ARG 490 -0.246 5.672 0.717 662 2HD ARG 490 1HD ARG 490 -1.670 5.232 1.654 663 HE ARG 490 HE ARG 490 -0.508 5.742 3.633 664 1HH1 ARG 490 1HH1 ARG 490 1.438 6.334 0.786 665 2HH1 ARG 490 2HH1 ARG 490 2.572 7.336 1.625 666 1HH2 ARG 490 1HH2 ARG 490 0.987 7.060 4.725 667 2HH2 ARG 490 2HH2 ARG 490 2.320 7.746 3.855 668 H TRP 491 H TRP 491 4.152 3.290 0.805 669 HA TRP 491 HA TRP 491 4.941 5.906 0.084 670 1HB TRP 491 2HB TRP 491 5.945 4.192 1.817 671 2HB TRP 491 1HB TRP 491 6.958 3.728 0.453 672 HD1 TRP 491 HD TRP 491 9.153 5.022 0.293 673 HE1 TRP 491 1HE TRP 491 10.029 7.288 1.140 674 HE3 TRP 491 3HE TRP 491 4.867 6.801 2.441 675 HZ2 TRP 491 2HZ TRP 491 9.035 9.535 2.533 676 HZ3 TRP 491 3HZ TRP 491 4.914 9.017 3.509 677 HH2 TRP 491 HH TRP 491 6.958 10.354 3.556 678 H ARG 492 H ARG 492 5.127 2.820 -1.557 679 HA ARG 492 HA ARG 492 6.943 3.683 -3.585 680 1HB ARG 492 2HB ARG 492 5.709 1.245 -2.807 681 2HB ARG 492 1HB ARG 492 5.328 1.510 -4.503 682 1HG ARG 492 2HG ARG 492 8.138 1.932 -3.687 683 2HG ARG 492 1HG ARG 492 7.539 0.272 -3.683 684 1HD ARG 492 2HD ARG 492 6.846 1.867 -6.060 685 2HD ARG 492 1HD ARG 492 8.563 1.519 -5.855 686 HE ARG 492 HE ARG 492 7.410 -0.893 -5.488 687 1HH1 ARG 492 1HH1 ARG 492 7.128 1.513 -8.000 688 2HH1 ARG 492 2HH1 ARG 492 6.791 0.356 -9.243 689 1HH2 ARG 492 1HH2 ARG 492 6.965 -2.417 -7.122 690 2HH2 ARG 492 2HH2 ARG 492 6.698 -1.875 -8.746 691 H THR 493 H THR 493 3.534 3.957 -3.107 692 HA THR 493 HA THR 493 2.925 4.430 -5.888 693 HB THR 493 HB THR 493 1.261 4.806 -3.389 694 HG1 THR 493 1HG THR 493 1.930 2.622 -4.104 695 1HG2 THR 493 1HG2 THR 493 -0.452 5.566 -4.577 696 2HG2 THR 493 2HG2 THR 493 -0.190 4.387 -5.860 697 3HG2 THR 493 3HG2 THR 493 0.714 5.901 -5.857 698 H MET 494 H MET 494 3.472 6.353 -2.990 699 HA MET 494 HA MET 494 2.775 8.835 -4.262 700 1HB MET 494 2HB MET 494 2.914 8.042 -1.668 701 2HB MET 494 1HB MET 494 4.435 8.911 -1.824 702 1HG MET 494 2HG MET 494 3.431 10.906 -1.916 703 2HG MET 494 1HG MET 494 2.129 10.316 -2.949 704 1HE MET 494 1HE MET 494 2.926 11.890 0.193 705 2HE MET 494 2HE MET 494 3.439 10.332 0.837 706 3HE MET 494 3HE MET 494 1.996 11.118 1.477 707 H LYS 495 H LYS 495 5.649 6.933 -3.874 708 HA LYS 495 HA LYS 495 7.425 9.119 -4.561 709 1HB LYS 495 2HB LYS 495 7.874 7.016 -3.028 710 2HB LYS 495 1HB LYS 495 8.301 6.263 -4.558 711 1HG LYS 495 2HG LYS 495 9.994 7.937 -4.957 712 2HG LYS 495 1HG LYS 495 9.525 8.795 -3.487 713 1HD LYS 495 2HD LYS 495 10.730 7.430 -2.189 714 2HD LYS 495 1HD LYS 495 10.111 5.988 -2.996 715 1HE LYS 495 2HE LYS 495 12.054 5.731 -4.036 716 2HE LYS 495 1HE LYS 495 11.864 7.312 -4.796 717 1HZ LYS 495 1HZ LYS 495 12.774 8.231 -2.631 718 2HZ LYS 495 2HZ LYS 495 13.870 7.428 -3.635 719 3HZ LYS 495 3HZ LYS 495 13.249 6.648 -2.269 720 H ARG 496 H ARG 496 5.807 6.474 -6.148 721 HA ARG 496 HA ARG 496 7.423 6.520 -8.511 722 1HB ARG 496 2HB ARG 496 6.002 4.573 -7.692 723 2HB ARG 496 1HB ARG 496 4.610 5.453 -8.307 724 1HG ARG 496 2HG ARG 496 5.113 4.035 -10.050 725 2HG ARG 496 1HG ARG 496 5.941 5.520 -10.526 726 1HD ARG 496 2HD ARG 496 8.030 4.624 -9.564 727 2HD ARG 496 1HD ARG 496 7.188 3.123 -9.184 728 HE ARG 496 HE ARG 496 6.779 3.430 -11.849 729 1HH1 ARG 496 1HH1 ARG 496 9.626 3.400 -9.831 730 2HH1 ARG 496 2HH1 ARG 496 10.649 2.755 -11.071 731 1HH2 ARG 496 1HH2 ARG 496 8.124 2.583 -13.480 732 2HH2 ARG 496 2HH2 ARG 496 9.799 2.293 -13.142 733 H LEU 497 H LEU 497 4.450 8.074 -7.475 734 HA LEU 497 HA LEU 497 4.599 9.788 -9.854 735 1HB LEU 497 2HB LEU 497 2.327 8.114 -8.947 736 2HB LEU 497 1HB LEU 497 1.935 9.735 -9.487 737 HG LEU 497 HG LEU 497 3.706 8.444 -11.371 738 1HD1 LEU 497 1HD1 LEU 497 2.224 6.546 -10.185 739 2HD1 LEU 497 2HD1 LEU 497 2.694 6.499 -11.883 740 3HD1 LEU 497 3HD1 LEU 497 1.094 7.083 -11.427 741 1HD2 LEU 497 1HD2 LEU 497 2.388 10.370 -11.940 742 2HD2 LEU 497 2HD2 LEU 497 0.898 9.527 -11.521 743 3HD2 LEU 497 3HD2 LEU 497 1.844 9.006 -12.916 744 H GLY 498 H GLY 498 5.686 11.146 -8.222 745 1HA GLY 498 2HA GLY 498 4.162 13.268 -7.378 746 2HA GLY 498 1HA GLY 498 4.197 12.173 -6.005 747 H MET 499 H MET 499 6.501 11.351 -5.497 748 HA MET 499 HA MET 499 8.114 13.692 -5.034 749 1HB MET 499 2HB MET 499 8.493 10.788 -4.293 750 2HB MET 499 1HB MET 499 9.609 12.066 -3.835 751 1HG MET 499 2HG MET 499 7.275 13.103 -2.958 752 2HG MET 499 1HG MET 499 6.967 11.379 -2.756 753 1HE MET 499 1HE MET 499 6.721 13.253 -0.610 754 2HE MET 499 2HE MET 499 8.139 14.292 -0.471 755 3HE MET 499 3HE MET 499 7.855 13.027 0.722 756 H ASN 500 H ASN 500 7.829 11.665 -7.627 757 HA ASN 500 HA ASN 500 10.502 12.386 -8.566 758 1HB ASN 500 2HB ASN 500 9.645 9.701 -7.934 759 2HB ASN 500 1HB ASN 500 10.027 9.833 -9.648 760 1HD2 ASN 500 1HD2 ASN 500 12.097 9.895 -10.267 761 2HD2 ASN 500 2HD2 ASN 500 13.448 9.928 -9.191 Start of MODEL 8 1 2H5* G 1 H5' GUA 1 7.834 -14.837 11.265 2 H4* G 1 H4' GUA 1 9.672 -13.109 11.715 3 H3* G 1 H3' GUA 1 7.352 -12.762 10.427 4 H1* G 1 H1' GUA 1 10.670 -11.851 8.581 5 H8 G 1 8H GUA 1 8.919 -15.022 7.269 6 H1 G 1 1H GUA 1 14.489 -13.547 4.453 7 1H2 G 1 1H2 GUA 1 14.687 -11.041 6.831 8 2H2 G 1 2H2 GUA 1 15.426 -11.836 5.460 9 2H2* G 1 H2' GUA 1 8.338 -11.612 8.180 10 H5T G 1 H5T GUA 1 9.736 -15.406 9.242 11 2H5* T 2 H5' THY 2 10.368 -8.763 10.611 12 H4* T 2 H4' THY 2 11.921 -7.766 9.286 13 H3* T 2 H3' THY 2 9.483 -6.702 8.898 14 2H2* T 2 H2' THY 2 9.594 -6.545 6.199 15 H1* T 2 H1' THY 2 11.667 -7.675 5.842 16 H3 T 2 3H THY 2 11.125 -10.646 2.573 17 1H5M T 2 1H7 THY 2 8.323 -12.847 6.244 18 2H5M T 2 2H7 THY 2 7.607 -12.730 4.620 19 3H5M T 2 3H7 THY 2 7.122 -11.583 5.891 20 H6 T 2 6H THY 2 9.008 -10.078 6.810 21 2H5* T 3 H5' THY 3 13.267 -4.397 6.285 22 H4* T 3 H4' THY 3 14.177 -4.630 4.205 23 H3* T 3 H3' THY 3 12.097 -2.905 4.230 24 2H2* T 3 H2' THY 3 10.997 -3.702 1.889 25 H1* T 3 H1' THY 3 12.416 -5.582 1.456 26 H3 T 3 3H THY 3 10.019 -9.177 0.356 27 1H5M T 3 1H7 THY 3 8.229 -8.219 5.105 28 2H5M T 3 2H7 THY 3 7.089 -8.676 3.815 29 3H5M T 3 3H7 THY 3 7.297 -6.963 4.256 30 H6 T 3 6H THY 3 9.815 -6.146 4.033 31 2H5* A 4 H5' ADE 4 14.651 -2.479 -0.474 32 H4* A 4 H4' ADE 4 14.511 -3.744 -2.420 33 H3* A 4 H3' ADE 4 12.827 -1.632 -2.259 34 H1* A 4 H1' ADE 4 11.607 -5.071 -3.527 35 H8 A 4 8H ADE 4 10.269 -4.258 0.026 36 1H6 A 4 1H6 ADE 4 7.242 -8.043 0.398 37 2H6 A 4 2H6 ADE 4 6.886 -9.401 -0.649 38 H2 A 4 2H ADE 4 9.472 -8.948 -4.284 39 2H2* A 4 H2' ADE 4 10.690 -2.861 -3.380 40 2H5* G 5 H5' GUA 5 13.375 -3.610 -6.932 41 H4* G 5 H4' GUA 5 12.340 -5.137 -8.233 42 H3* G 5 H3' GUA 5 11.163 -2.736 -8.543 43 H1* G 5 H1' GUA 5 8.982 -5.898 -7.981 44 H8 G 5 8H GUA 5 9.287 -3.673 -4.820 45 H1 G 5 1H GUA 5 5.076 -8.501 -4.492 46 1H2 G 5 1H2 GUA 5 6.183 -9.286 -7.675 47 2H2 G 5 2H2 GUA 5 5.118 -9.680 -6.342 48 2H2* G 5 H2' GUA 5 8.600 -3.601 -8.520 49 2H5* G 6 H5' GUA 6 9.539 -6.302 -11.700 50 H4* G 6 H4' GUA 6 7.780 -7.683 -11.962 51 H3* G 6 H3' GUA 6 7.161 -5.273 -12.989 52 H1* G 6 H1' GUA 6 4.651 -7.086 -10.654 53 H8 G 6 8H GUA 6 6.469 -4.131 -8.930 54 H1 G 6 1H GUA 6 1.792 -6.933 -5.552 55 1H2 G 6 1H2 GUA 6 1.562 -9.102 -8.240 56 2H2 G 6 2H2 GUA 6 0.970 -8.641 -6.660 57 2H2* G 6 H2' GUA 6 4.643 -5.115 -12.013 58 2H5* G 7 H5' GUA 7 3.652 -8.873 -14.350 59 H4* G 7 H4' GUA 7 1.692 -9.696 -13.453 60 H3* G 7 H3' GUA 7 1.346 -7.683 -15.191 61 H1* G 7 H1' GUA 7 -0.506 -7.578 -11.769 62 H8 G 7 8H GUA 7 2.619 -5.282 -11.909 63 H1 G 7 1H GUA 7 -1.155 -4.630 -6.763 64 1H2 G 7 1H2 GUA 7 -3.009 -7.192 -8.170 65 2H2 G 7 2H2 GUA 7 -2.816 -6.065 -6.845 66 2H2* G 7 H2' GUA 7 -0.515 -6.309 -13.785 67 2H5* T 8 H5' THY 8 -2.751 -9.853 -13.499 68 H4* T 8 H4' THY 8 -4.470 -9.608 -12.043 69 H3* T 8 H3' THY 8 -5.069 -8.458 -14.404 70 2H2* T 8 H2' THY 8 -6.229 -6.224 -13.398 71 H1* T 8 H1' THY 8 -5.733 -6.541 -11.088 72 H3 T 8 3H THY 8 -4.162 -2.673 -9.549 73 1H5M T 8 1H7 THY 8 -0.136 -4.270 -12.272 74 2H5M T 8 2H7 THY 8 -1.080 -3.771 -13.696 75 3H5M T 8 3H7 THY 8 -0.637 -2.572 -12.455 76 H6 T 8 6H THY 8 -2.585 -5.711 -12.871 77 2H5* T 9 H5' THY 9 -8.906 -8.796 -11.052 78 H4* T 9 H4' THY 9 -9.736 -7.447 -9.443 79 H3* T 9 H3' THY 9 -10.920 -6.889 -11.810 80 2H2* T 9 H2' THY 9 -10.953 -4.200 -11.511 81 H1* T 9 H1' THY 9 -9.674 -4.066 -9.484 82 H3 T 9 3H THY 9 -6.524 -0.936 -9.851 83 1H5M T 9 1H7 THY 9 -5.012 -2.478 -13.872 84 2H5M T 9 2H7 THY 9 -5.028 -4.220 -13.513 85 3H5M T 9 3H7 THY 9 -6.356 -3.491 -14.446 86 H6 T 9 6H THY 9 -7.653 -4.724 -12.518 87 2H5* A 10 H5' ADE 10 -13.079 -4.698 -7.767 88 H4* A 10 H4' ADE 10 -12.964 -2.673 -6.755 89 H3* A 10 H3' ADE 10 -14.849 -2.666 -8.689 90 H1* A 10 H1' ADE 10 -12.339 0.259 -8.364 91 H8 A 10 8H ADE 10 -11.637 -1.966 -11.461 92 1H6 A 10 1H6 ADE 10 -8.087 0.757 -13.362 93 2H6 A 10 2H6 ADE 10 -7.276 2.212 -12.827 94 H2 A 10 2H ADE 10 -9.103 3.342 -8.890 95 2H2* A 10 H2' ADE 10 -14.296 -0.204 -9.668 96 2H5* G 11 H5' GUA 11 -15.418 1.567 -5.486 97 H4* G 11 H4' GUA 11 -14.156 3.514 -5.497 98 H3* G 11 H3' GUA 11 -16.511 3.628 -6.838 99 H1* G 11 H1' GUA 11 -13.274 5.127 -8.306 100 H8 G 11 8H GUA 11 -14.194 1.758 -10.004 101 H1 G 11 1H GUA 11 -9.642 5.243 -12.879 102 1H2 G 11 1H2 GUA 11 -10.108 7.462 -10.265 103 2H2 G 11 2H2 GUA 11 -9.249 7.079 -11.740 104 2H2* G 11 H2' GUA 11 -15.601 5.132 -8.897 105 2H5* G 12 H5' GUA 12 -14.722 8.352 -5.470 106 H4* G 12 H4' GUA 12 -13.113 9.692 -6.453 107 H3* G 12 H3' GUA 12 -15.651 10.369 -7.034 108 H1* G 12 H1' GUA 12 -13.015 10.144 -9.872 109 H8 G 12 8H GUA 12 -15.224 6.957 -9.668 110 H1 G 12 1H GUA 12 -11.825 7.725 -15.054 111 1H2 G 12 1H2 GUA 12 -10.694 10.639 -13.569 112 2H2 G 12 2H2 GUA 12 -10.650 9.576 -14.959 113 2H2* G 12 H2' GUA 12 -15.289 10.859 -9.667 114 2H5* G 13 H5' GUA 13 -12.405 14.188 -8.679 115 H4* G 13 H4' GUA 13 -11.183 14.596 -10.658 116 H3* G 13 H3' GUA 13 -13.563 15.803 -10.365 117 H1* G 13 H1' GUA 13 -12.743 13.990 -13.703 118 H8 G 13 8H GUA 13 -14.980 11.867 -11.346 119 H1 G 13 1H GUA 13 -14.499 9.823 -17.404 120 1H2 G 13 1H2 GUA 13 -12.397 12.538 -17.838 121 2H2 G 13 2H2 GUA 13 -13.172 11.143 -18.553 122 H3T G 13 H3T GUA 13 -11.503 15.922 -12.203 123 2H2* G 13 H2' GUA 13 -14.494 15.384 -12.867 124 2H5* C 14 H5' CYT 14 -12.960 6.959 -25.697 125 H4* C 14 H4' CYT 14 -11.879 9.082 -24.879 126 H3* C 14 H3' CYT 14 -11.029 6.572 -24.444 127 H1* C 14 H1' CYT 14 -11.501 8.983 -21.430 128 1H4 C 14 1H4 CYT 14 -16.765 6.625 -18.164 129 2H4 C 14 2H4 CYT 14 -16.098 7.939 -17.220 130 H5 C 14 5H CYT 14 -15.848 5.948 -20.303 131 H6 C 14 6H CYT 14 -14.113 6.392 -21.959 132 2H2* C 14 H2' CYT 14 -10.610 6.797 -21.779 133 H5T C 14 H5T CYT 14 -14.837 6.358 -24.573 134 2H5* C 15 H5' CYT 15 -7.407 10.000 -22.772 135 H4* C 15 H4' CYT 15 -7.098 11.058 -20.759 136 H3* C 15 H3' CYT 15 -5.787 8.714 -20.941 137 H1* C 15 H1' CYT 15 -7.855 9.531 -17.754 138 1H4 C 15 1H4 CYT 15 -13.061 5.431 -17.983 139 2H4 C 15 2H4 CYT 15 -13.050 6.190 -16.406 140 H5 C 15 5H CYT 15 -11.416 5.924 -19.691 141 H6 C 15 6H CYT 15 -9.432 7.238 -20.229 142 2H2* C 15 H2' CYT 15 -6.339 7.822 -18.444 143 2H5* C 16 H5' CYT 16 -4.689 11.609 -17.009 144 H4* C 16 H4' CYT 16 -5.259 11.742 -14.834 145 H3* C 16 H3' CYT 16 -3.100 10.167 -15.071 146 H1* C 16 H1' CYT 16 -6.121 8.936 -12.937 147 1H4 C 16 1H4 CYT 16 -8.859 4.099 -16.548 148 2H4 C 16 2H4 CYT 16 -9.510 3.989 -14.929 149 H5 C 16 5H CYT 16 -7.247 5.781 -17.206 150 H6 C 16 6H CYT 16 -5.938 7.694 -16.444 151 2H2* C 16 H2' CYT 16 -3.899 8.211 -13.377 152 2H5* T 17 H5' THY 17 -4.189 11.625 -10.210 153 H4* T 17 H4' THY 17 -5.602 10.689 -8.697 154 H3* T 17 H3' THY 17 -3.067 9.787 -8.382 155 2H2* T 17 H2' THY 17 -3.729 7.215 -7.853 156 H1* T 17 H1' THY 17 -6.082 7.368 -8.287 157 H3 T 17 3H THY 17 -7.303 3.906 -10.809 158 1H5M T 17 1H7 THY 17 -4.544 6.170 -14.274 159 2H5M T 17 2H7 THY 17 -3.089 6.160 -13.250 160 3H5M T 17 3H7 THY 17 -3.816 4.624 -13.779 161 H6 T 17 6H THY 17 -4.069 7.365 -11.402 162 2H5* A 18 H5' ADE 18 -6.137 8.274 -4.635 163 H4* A 18 H4' ADE 18 -7.109 6.413 -3.800 164 H3* A 18 H3' ADE 18 -4.504 6.392 -3.190 165 H1* A 18 H1' ADE 18 -6.073 3.197 -4.773 166 H8 A 18 8H ADE 18 -3.763 5.157 -7.174 167 1H6 A 18 1H6 ADE 18 -4.138 2.147 -10.975 168 2H6 A 18 2H6 ADE 18 -5.092 0.713 -11.278 169 H2 A 18 2H ADE 18 -7.547 -0.013 -7.593 170 2H2* A 18 H2' ADE 18 -3.974 3.821 -3.840 171 2H5* A 19 H5' ADE 19 -7.339 2.816 -1.844 172 H4* A 19 H4' ADE 19 -7.956 0.684 -1.524 173 H3* A 19 H3' ADE 19 -5.642 0.994 -0.276 174 H1* A 19 H1' ADE 19 -5.695 -1.869 -3.103 175 H8 A 19 8H ADE 19 -3.869 1.457 -3.703 176 1H6 A 19 1H6 ADE 19 -2.579 0.653 -8.321 177 2H6 A 19 2H6 ADE 19 -2.946 -0.623 -9.462 178 H2 A 19 2H ADE 19 -5.639 -3.521 -7.351 179 2H2* A 19 H2' ADE 19 -4.385 -1.226 -1.301 180 2H5* C 20 H5' CYT 20 -7.549 -3.660 -0.303 181 H4* C 20 H4' CYT 20 -7.281 -5.479 -1.609 182 H3* C 20 H3' CYT 20 -5.496 -5.550 0.411 183 H1* C 20 H1' CYT 20 -4.363 -6.284 -3.226 184 1H4 C 20 1H4 CYT 20 -0.575 -1.129 -4.961 185 2H4 C 20 2H4 CYT 20 -0.448 -2.330 -6.225 186 H5 C 20 5H CYT 20 -1.969 -1.423 -3.001 187 H6 C 20 6H CYT 20 -3.517 -2.926 -1.863 188 2H2* C 20 H2' CYT 20 -3.379 -6.399 -1.049 189 2H5* C 21 H5' CYT 21 -6.132 -10.183 -1.939 190 H4* C 21 H4' CYT 21 -5.157 -11.013 -3.828 191 H3* C 21 H3' CYT 21 -3.851 -11.762 -1.595 192 H1* C 21 H1' CYT 21 -1.868 -10.417 -4.646 193 1H4 C 21 1H4 CYT 21 0.467 -4.507 -2.752 194 2H4 C 21 2H4 CYT 21 1.220 -4.912 -4.278 195 H5 C 21 5H CYT 21 -1.157 -5.941 -1.665 196 H6 C 21 6H CYT 21 -2.380 -8.046 -1.823 197 2H2* C 21 H2' CYT 21 -1.337 -11.413 -2.537 198 2H5* C 22 H5' CYT 22 -1.921 -14.217 -5.680 199 H4* C 22 H4' CYT 22 -0.041 -14.252 -6.989 200 H3* C 22 H3' CYT 22 0.301 -15.536 -4.656 201 H1* C 22 H1' CYT 22 2.991 -12.987 -5.841 202 1H4 C 22 1H4 CYT 22 2.391 -7.851 -1.693 203 2H4 C 22 2H4 CYT 22 3.755 -7.529 -2.739 204 H5 C 22 5H CYT 22 1.019 -9.838 -1.898 205 H6 C 22 6H CYT 22 0.678 -11.908 -3.141 206 2H2* C 22 H2' CYT 22 2.762 -14.571 -4.073 207 2H5* T 23 H5' THY 23 4.058 -15.868 -7.923 208 H4* T 23 H4' THY 23 6.090 -15.007 -8.308 209 H3* T 23 H3' THY 23 6.368 -16.986 -6.497 210 2H2* T 23 H2' THY 23 8.109 -15.706 -4.867 211 H1* T 23 H1' THY 23 8.088 -13.561 -5.927 212 H3 T 23 3H THY 23 7.602 -10.382 -2.845 213 1H5M T 23 1H7 THY 23 3.367 -13.700 -2.397 214 2H5M T 23 2H7 THY 23 3.314 -12.031 -1.785 215 3H5M T 23 3H7 THY 23 4.219 -13.276 -0.893 216 H6 T 23 6H THY 23 4.999 -14.216 -3.982 217 2H5* A 24 H5' ADE 24 10.895 -15.390 -8.482 218 H4* A 24 H4' ADE 24 12.379 -13.771 -7.898 219 H3* A 24 H3' ADE 24 12.949 -16.099 -6.674 220 H1* A 24 H1' ADE 24 12.915 -12.798 -4.632 221 H8 A 24 8H ADE 24 9.808 -15.029 -3.964 222 1H6 A 24 1H6 ADE 24 7.986 -12.416 -0.291 223 2H6 A 24 2H6 ADE 24 8.470 -10.919 0.470 224 H2 A 24 2H ADE 24 12.160 -9.518 -1.659 225 2H2* A 24 H2' ADE 24 13.526 -15.075 -4.236 226 2H5* A 25 H5' ADE 25 16.886 -12.675 -6.319 227 H4* A 25 H4' ADE 25 17.307 -10.977 -4.836 228 H3* A 25 H3' ADE 25 18.501 -13.293 -4.162 229 H1* A 25 H1' ADE 25 16.571 -11.260 -1.473 230 H8 A 25 8H ADE 25 14.604 -14.371 -2.715 231 1H6 A 25 1H6 ADE 25 11.066 -14.198 0.616 232 2H6 A 25 2H6 ADE 25 10.707 -13.094 1.925 233 H2 A 25 2H ADE 25 13.896 -9.941 1.877 234 2H2* A 25 H2' ADE 25 17.980 -13.189 -1.507 235 2H5* C 26 H5' CYT 26 20.261 -9.352 -1.207 236 H4* C 26 H4' CYT 26 19.533 -8.393 0.793 237 H3* C 26 H3' CYT 26 21.509 -10.197 0.986 238 H1* C 26 H1' CYT 26 18.447 -10.478 3.371 239 1H4 C 26 1H4 CYT 26 15.125 -15.803 1.242 240 2H4 C 26 2H4 CYT 26 14.470 -15.359 2.801 241 H5 C 26 5H CYT 26 16.917 -14.580 0.166 242 H6 C 26 6H CYT 26 18.442 -12.686 0.372 243 H3T C 26 H3T CYT 26 21.932 -9.051 2.686 244 2H2* C 26 H2' CYT 26 20.568 -11.543 3.136 245 1H GLU 438 H GLU 438 -24.219 0.435 -13.469 246 HA GLU 438 HA GLU 438 -26.791 1.758 -14.024 247 1HB GLU 438 2HB GLU 438 -25.219 -0.210 -15.491 248 2HB GLU 438 1HB GLU 438 -26.882 -0.727 -15.257 249 1HG GLU 438 2HG GLU 438 -27.660 0.729 -16.745 250 2HG GLU 438 1HG GLU 438 -26.676 2.045 -16.102 251 H ASP 439 H ASP 439 -25.363 -1.262 -12.807 252 HA ASP 439 HA ASP 439 -27.866 -1.772 -11.347 253 1HB ASP 439 2HB ASP 439 -26.085 -3.486 -12.850 254 2HB ASP 439 1HB ASP 439 -26.258 -4.069 -11.198 255 H SER 440 H SER 440 -27.680 -2.676 -9.182 256 HA SER 440 HA SER 440 -25.505 -1.399 -7.715 257 1HB SER 440 2HB SER 440 -26.948 -2.061 -5.707 258 2HB SER 440 1HB SER 440 -27.625 -0.860 -6.806 259 HG SER 440 HG SER 440 -28.737 -3.094 -6.071 260 H THR 441 H THR 441 -24.086 -2.470 -6.393 261 HA THR 441 HA THR 441 -24.313 -5.270 -5.838 262 HB THR 441 HB THR 441 -23.527 -5.574 -8.062 263 HG1 THR 441 1HG THR 441 -21.217 -5.664 -6.424 264 1HG2 THR 441 1HG2 THR 441 -21.763 -4.465 -9.104 265 2HG2 THR 441 2HG2 THR 441 -21.179 -3.782 -7.588 266 3HG2 THR 441 3HG2 THR 441 -22.678 -3.189 -8.300 267 H THR 442 H THR 442 -21.981 -2.599 -6.128 268 HA THR 442 HA THR 442 -20.575 -3.479 -3.751 269 HB THR 442 HB THR 442 -19.354 -1.191 -4.265 270 HG1 THR 442 1HG THR 442 -19.461 -0.774 -6.528 271 1HG2 THR 442 1HG2 THR 442 -18.935 -3.301 -6.331 272 2HG2 THR 442 2HG2 THR 442 -18.542 -3.611 -4.641 273 3HG2 THR 442 3HG2 THR 442 -17.753 -2.291 -5.501 274 H ASN 443 H ASN 443 -23.055 -1.242 -4.606 275 HA ASN 443 HA ASN 443 -24.397 0.099 -3.343 276 1HB ASN 443 2HB ASN 443 -23.281 -1.757 -1.436 277 2HB ASN 443 1HB ASN 443 -23.468 -0.169 -0.696 278 1HD2 ASN 443 1HD2 ASN 443 -24.994 -1.827 0.492 279 2HD2 ASN 443 2HD2 ASN 443 -26.633 -1.789 -0.051 280 H ILE 444 H ILE 444 -23.282 1.843 -4.384 281 HA ILE 444 HA ILE 444 -21.956 3.710 -4.522 282 HB ILE 444 HB ILE 444 -22.219 5.195 -2.467 283 1HG1 ILE 444 2HG1 ILE 444 -24.064 2.946 -1.630 284 2HG1 ILE 444 1HG1 ILE 444 -22.543 3.353 -0.841 285 1HG2 ILE 444 1HG2 ILE 444 -23.732 5.816 -4.014 286 2HG2 ILE 444 2HG2 ILE 444 -24.875 5.083 -2.887 287 3HG2 ILE 444 3HG2 ILE 444 -24.298 4.168 -4.281 288 1HD1 ILE 444 1HD1 ILE 444 -24.329 5.628 -1.067 289 2HD1 ILE 444 2HD1 ILE 444 -23.483 4.983 0.339 290 3HD1 ILE 444 3HD1 ILE 444 -25.028 4.290 -0.157 291 H THR 445 H THR 445 -19.847 3.080 -4.723 292 HA THR 445 HA THR 445 -17.641 2.889 -4.181 293 HB THR 445 HB THR 445 -18.234 4.091 -1.491 294 HG1 THR 445 1HG THR 445 -18.135 5.477 -3.963 295 1HG2 THR 445 1HG2 THR 445 -15.951 3.771 -1.677 296 2HG2 THR 445 2HG2 THR 445 -16.165 5.444 -2.194 297 3HG2 THR 445 3HG2 THR 445 -15.931 4.171 -3.394 298 H LYS 446 H LYS 446 -16.165 1.588 -3.008 299 HA LYS 446 HA LYS 446 -16.936 0.103 -0.703 300 1HB LYS 446 2HB LYS 446 -18.222 -0.992 -2.629 301 2HB LYS 446 1HB LYS 446 -16.657 -1.544 -3.210 302 1HG LYS 446 2HG LYS 446 -16.451 -3.101 -1.593 303 2HG LYS 446 1HG LYS 446 -17.261 -2.107 -0.379 304 1HD LYS 446 2HD LYS 446 -19.387 -2.733 -1.111 305 2HD LYS 446 1HD LYS 446 -18.787 -3.295 -2.672 306 1HE LYS 446 2HE LYS 446 -17.739 -5.199 -1.645 307 2HE LYS 446 1HE LYS 446 -18.130 -4.598 -0.034 308 1HZ LYS 446 1HZ LYS 446 -20.378 -4.958 -1.836 309 2HZ LYS 446 2HZ LYS 446 -20.245 -5.310 -0.187 310 3HZ LYS 446 3HZ LYS 446 -19.609 -6.380 -1.335 311 H LYS 447 H LYS 447 -14.747 1.738 -1.616 312 HA LYS 447 HA LYS 447 -12.552 -0.225 -1.479 313 1HB LYS 447 2HB LYS 447 -12.866 1.249 -3.612 314 2HB LYS 447 1HB LYS 447 -12.187 2.526 -2.615 315 1HG LYS 447 2HG LYS 447 -10.194 1.817 -3.272 316 2HG LYS 447 1HG LYS 447 -10.452 0.414 -2.232 317 1HD LYS 447 2HD LYS 447 -11.270 -0.895 -4.036 318 2HD LYS 447 1HD LYS 447 -11.416 0.514 -5.086 319 1HE LYS 447 2HE LYS 447 -9.026 0.713 -5.253 320 2HE LYS 447 1HE LYS 447 -8.788 -0.533 -4.028 321 1HZ LYS 447 1HZ LYS 447 -9.775 -0.850 -6.796 322 2HZ LYS 447 2HZ LYS 447 -10.021 -2.046 -5.625 323 3HZ LYS 447 3HZ LYS 447 -8.448 -1.598 -6.059 324 H GLN 448 H GLN 448 -10.998 0.065 0.048 325 HA GLN 448 HA GLN 448 -11.439 2.265 1.948 326 1HB GLN 448 2HB GLN 448 -10.977 -0.523 2.301 327 2HB GLN 448 1HB GLN 448 -9.595 0.334 2.968 328 1HG GLN 448 2HG GLN 448 -10.756 1.075 4.717 329 2HG GLN 448 1HG GLN 448 -12.142 1.520 3.722 330 1HE2 GLN 448 1HE2 GLN 448 -10.825 -0.751 5.882 331 2HE2 GLN 448 2HE2 GLN 448 -12.136 -1.877 5.873 332 H LYS 449 H LYS 449 -10.290 3.800 0.682 333 HA LYS 449 HA LYS 449 -7.569 3.373 -0.065 334 1HB LYS 449 2HB LYS 449 -7.605 5.825 -0.570 335 2HB LYS 449 1HB LYS 449 -8.861 4.895 -1.376 336 1HG LYS 449 2HG LYS 449 -10.520 5.682 0.145 337 2HG LYS 449 1HG LYS 449 -9.299 6.440 1.166 338 1HD LYS 449 2HD LYS 449 -9.183 8.265 -0.131 339 2HD LYS 449 1HD LYS 449 -9.210 7.319 -1.620 340 1HE LYS 449 2HE LYS 449 -11.407 7.629 -1.903 341 2HE LYS 449 1HE LYS 449 -11.758 7.292 -0.209 342 1HZ LYS 449 1HZ LYS 449 -11.642 9.471 0.347 343 2HZ LYS 449 2HZ LYS 449 -12.119 9.665 -1.264 344 3HZ LYS 449 3HZ LYS 449 -10.490 9.847 -0.836 345 H TRP 450 H TRP 450 -7.132 2.625 2.260 346 HA TRP 450 HA TRP 450 -6.151 2.924 4.298 347 1HB TRP 450 2HB TRP 450 -4.888 4.754 2.365 348 2HB TRP 450 1HB TRP 450 -4.480 5.028 4.058 349 HD1 TRP 450 HD TRP 450 -4.643 1.961 1.677 350 HE1 TRP 450 1HE TRP 450 -2.608 0.469 2.168 351 HE3 TRP 450 3HE TRP 450 -2.551 4.667 5.476 352 HZ2 TRP 450 2HZ TRP 450 -0.402 0.443 3.930 353 HZ3 TRP 450 3HZ TRP 450 -0.478 3.838 6.511 354 HH2 TRP 450 HH TRP 450 0.574 1.768 5.751 355 H THR 451 H THR 451 -5.540 4.646 6.036 356 HA THR 451 HA THR 451 -7.870 6.415 6.345 357 HB THR 451 HB THR 451 -6.258 5.877 8.739 358 HG1 THR 451 1HG THR 451 -6.594 3.769 8.875 359 1HG2 THR 451 1HG2 THR 451 -9.076 6.185 8.019 360 2HG2 THR 451 2HG2 THR 451 -8.211 6.662 9.480 361 3HG2 THR 451 3HG2 THR 451 -8.758 4.997 9.282 362 H VAL 452 H VAL 452 -7.381 8.341 7.842 363 HA VAL 452 HA VAL 452 -5.216 9.818 6.638 364 HB VAL 452 HB VAL 452 -7.072 10.727 8.842 365 1HG1 VAL 452 1HG1 VAL 452 -6.475 12.920 7.377 366 2HG1 VAL 452 2HG1 VAL 452 -4.975 12.004 7.221 367 3HG1 VAL 452 3HG1 VAL 452 -5.590 12.423 8.819 368 1HG2 VAL 452 1HG2 VAL 452 -8.677 10.421 7.292 369 2HG2 VAL 452 2HG2 VAL 452 -7.522 10.335 5.961 370 3HG2 VAL 452 3HG2 VAL 452 -8.022 11.902 6.593 371 H GLU 453 H GLU 453 -5.836 8.201 9.658 372 HA GLU 453 HA GLU 453 -3.698 9.484 11.089 373 1HB GLU 453 2HB GLU 453 -5.653 7.313 11.645 374 2HB GLU 453 1HB GLU 453 -4.174 7.332 12.596 375 1HG GLU 453 2HG GLU 453 -4.724 9.782 13.065 376 2HG GLU 453 1HG GLU 453 -6.332 9.403 12.449 377 H GLU 454 H GLU 454 -4.199 6.221 9.746 378 HA GLU 454 HA GLU 454 -1.711 5.156 10.384 379 1HB GLU 454 2HB GLU 454 -3.398 4.554 7.949 380 2HB GLU 454 1HB GLU 454 -2.124 3.529 8.598 381 1HG GLU 454 2HG GLU 454 -3.518 3.545 10.762 382 2HG GLU 454 1HG GLU 454 -4.828 4.115 9.728 383 H SER 455 H SER 455 -2.688 7.132 7.644 384 HA SER 455 HA SER 455 -0.244 6.842 6.207 385 1HB SER 455 2HB SER 455 -2.574 7.653 5.350 386 2HB SER 455 1HB SER 455 -2.026 9.240 5.894 387 HG SER 455 HG SER 455 -0.077 8.724 4.577 388 H GLU 456 H GLU 456 -1.236 8.807 8.862 389 HA GLU 456 HA GLU 456 0.756 10.843 8.505 390 1HB GLU 456 2HB GLU 456 -1.392 11.183 9.753 391 2HB GLU 456 1HB GLU 456 -0.763 10.143 11.023 392 1HG GLU 456 2HG GLU 456 0.524 11.754 11.874 393 2HG GLU 456 1HG GLU 456 1.032 12.325 10.285 394 H TRP 457 H TRP 457 0.484 7.845 10.321 395 HA TRP 457 HA TRP 457 2.831 8.168 11.871 396 1HB TRP 457 2HB TRP 457 1.601 5.547 11.011 397 2HB TRP 457 1HB TRP 457 2.588 5.851 12.437 398 HD1 TRP 457 HD TRP 457 0.890 8.592 13.200 399 HE1 TRP 457 1HE TRP 457 -1.389 8.267 14.353 400 HE3 TRP 457 3HE TRP 457 -0.018 3.745 11.849 401 HZ2 TRP 457 2HZ TRP 457 -3.315 6.223 14.652 402 HZ3 TRP 457 3HZ TRP 457 -2.103 2.683 12.605 403 HH2 TRP 457 HH TRP 457 -3.716 3.897 13.977 404 H VAL 458 H VAL 458 2.206 6.920 8.666 405 HA VAL 458 HA VAL 458 4.739 5.687 8.280 406 HB VAL 458 HB VAL 458 2.840 6.729 6.171 407 1HG1 VAL 458 1HG1 VAL 458 5.427 5.747 5.902 408 2HG1 VAL 458 2HG1 VAL 458 4.217 5.904 4.629 409 3HG1 VAL 458 3HG1 VAL 458 4.390 4.379 5.498 410 1HG2 VAL 458 1HG2 VAL 458 2.750 4.372 7.925 411 2HG2 VAL 458 2HG2 VAL 458 2.490 4.040 6.213 412 3HG2 VAL 458 3HG2 VAL 458 1.455 5.192 7.052 413 H LYS 459 H LYS 459 3.420 8.854 7.361 414 HA LYS 459 HA LYS 459 5.597 9.804 5.910 415 1HB LYS 459 2HB LYS 459 3.373 10.925 6.061 416 2HB LYS 459 1HB LYS 459 3.793 11.459 7.685 417 1HG LYS 459 2HG LYS 459 5.868 12.500 6.524 418 2HG LYS 459 1HG LYS 459 4.899 12.339 5.058 419 1HD LYS 459 2HD LYS 459 3.051 13.491 6.512 420 2HD LYS 459 1HD LYS 459 4.430 14.035 7.470 421 1HE LYS 459 2HE LYS 459 5.110 14.473 4.775 422 2HE LYS 459 1HE LYS 459 3.448 15.033 4.966 423 1HZ LYS 459 1HZ LYS 459 4.813 16.854 5.477 424 2HZ LYS 459 2HZ LYS 459 5.854 15.931 6.441 425 3HZ LYS 459 3HZ LYS 459 4.288 16.272 6.977 426 H ALA 460 H ALA 460 4.952 10.070 9.392 427 HA ALA 460 HA ALA 460 7.426 11.439 9.900 428 1HB ALA 460 1HB ALA 460 5.580 10.132 11.893 429 2HB ALA 460 2HB ALA 460 5.393 11.775 11.279 430 3HB ALA 460 3HB ALA 460 6.819 11.344 12.222 431 H GLY 461 H GLY 461 6.395 8.136 9.753 432 1HA GLY 461 2HA GLY 461 8.420 7.001 11.384 433 2HA GLY 461 1HA GLY 461 7.475 6.152 10.168 434 H VAL 462 H VAL 462 8.267 7.760 7.937 435 HA VAL 462 HA VAL 462 10.843 6.536 7.436 436 HB VAL 462 HB VAL 462 9.258 8.279 5.552 437 1HG1 VAL 462 1HG1 VAL 462 11.086 6.036 4.798 438 2HG1 VAL 462 2HG1 VAL 462 11.730 7.636 5.158 439 3HG1 VAL 462 3HG1 VAL 462 10.573 7.428 3.845 440 1HG2 VAL 462 1HG2 VAL 462 7.676 6.687 5.746 441 2HG2 VAL 462 2HG2 VAL 462 8.786 5.523 6.467 442 3HG2 VAL 462 3HG2 VAL 462 8.760 5.751 4.717 443 H GLN 463 H GLU 463 9.520 9.744 7.928 444 HA GLN 463 HA GLU 463 11.852 11.152 7.077 445 1HB GLN 463 2HB GLU 463 9.425 11.945 8.673 446 2HB GLN 463 1HB GLU 463 10.743 13.067 8.364 447 1HG GLN 463 2HG GLU 463 10.083 11.937 5.882 448 2HG GLN 463 1HG GLU 463 8.557 12.320 6.676 449 H LYS 464 H LYS 464 11.042 9.450 9.930 450 HA LYS 464 HA LYS 464 13.131 10.850 11.450 451 1HB LYS 464 2HB LYS 464 10.732 9.247 12.265 452 2HB LYS 464 1HB LYS 464 12.085 9.432 13.373 453 1HG LYS 464 2HG LYS 464 11.172 11.941 12.180 454 2HG LYS 464 1HG LYS 464 9.965 11.127 13.178 455 1HD LYS 464 2HD LYS 464 11.246 11.290 15.093 456 2HD LYS 464 1HD LYS 464 12.757 11.433 14.194 457 1HE LYS 464 2HE LYS 464 11.329 13.648 13.391 458 2HE LYS 464 1HE LYS 464 10.912 13.500 15.097 459 1HZ LYS 464 1HZ LYS 464 13.726 13.323 14.247 460 2HZ LYS 464 2HZ LYS 464 13.089 13.796 15.740 461 3HZ LYS 464 3HZ LYS 464 12.989 14.839 14.412 462 H TYR 465 H TYR 465 11.912 7.553 10.840 463 HA TYR 465 HA TYR 465 14.441 6.424 11.714 464 1HB TYR 465 2HB TYR 465 11.892 5.129 10.729 465 2HB TYR 465 1HB TYR 465 13.316 4.237 11.260 466 HD1 TYR 465 1HD TYR 465 10.390 6.118 12.304 467 HD2 TYR 465 2HD TYR 465 14.004 4.310 13.637 468 HE1 TYR 465 1HE TYR 465 9.574 6.208 14.622 469 HE2 TYR 465 2HE TYR 465 13.198 4.396 15.957 470 HH TYR 465 HH TYR 465 11.608 5.597 17.312 471 H GLY 466 H GLY 466 12.541 6.688 8.735 472 1HA GLY 466 2HA GLY 466 13.916 7.135 6.710 473 2HA GLY 466 1HA GLY 466 14.948 5.823 7.253 474 H GLU 467 H GLU 467 14.277 5.382 4.842 475 HA GLU 467 HA GLU 467 11.714 4.020 4.646 476 1HB GLU 467 2HB GLU 467 13.047 5.500 2.843 477 2HB GLU 467 1HB GLU 467 13.665 3.910 2.412 478 1HG GLU 467 2HG GLU 467 11.154 3.233 2.416 479 2HG GLU 467 1HG GLU 467 10.880 4.966 2.254 480 H GLY 468 H GLY 468 11.505 1.819 4.014 481 1HA GLY 468 2HA GLY 468 12.289 -0.372 3.663 482 2HA GLY 468 1HA GLY 468 13.889 0.142 4.172 483 H ASN 469 H ASN 469 12.356 1.478 6.539 484 HA ASN 469 HA ASN 469 12.399 -0.945 8.196 485 1HB ASN 469 2HB ASN 469 13.347 1.761 8.581 486 2HB ASN 469 1HB ASN 469 12.249 1.300 9.878 487 1HD2 ASN 469 1HD2 ASN 469 15.350 0.918 8.514 488 2HD2 ASN 469 2HD2 ASN 469 15.974 -0.203 9.670 489 H TRP 470 H TRP 470 10.223 -1.422 7.308 490 HA TRP 470 HA TRP 470 8.049 0.256 8.242 491 1HB TRP 470 2HB TRP 470 7.766 -2.455 6.958 492 2HB TRP 470 1HB TRP 470 6.609 -1.129 6.974 493 HD1 TRP 470 HD TRP 470 8.572 -2.770 4.556 494 HE1 TRP 470 1HE TRP 470 9.337 -1.222 2.646 495 HE3 TRP 470 3HE TRP 470 7.742 1.753 6.790 496 HZ2 TRP 470 2HZ TRP 470 9.560 1.547 2.152 497 HZ3 TRP 470 3HZ TRP 470 8.258 3.802 5.532 498 HH2 TRP 470 HH TRP 470 9.149 3.700 3.260 499 H ALA 471 H ALA 471 9.606 -2.754 9.072 500 HA ALA 471 HA ALA 471 7.687 -3.883 10.749 501 1HB ALA 471 1HB ALA 471 10.689 -4.026 11.033 502 2HB ALA 471 2HB ALA 471 9.690 -5.084 10.032 503 3HB ALA 471 3HB ALA 471 9.522 -5.114 11.788 504 H ALA 472 H ALA 472 10.370 -1.704 11.606 505 HA ALA 472 HA ALA 472 9.788 -1.535 14.346 506 1HB ALA 472 1HB ALA 472 11.925 -0.805 13.425 507 2HB ALA 472 2HB ALA 472 11.168 0.485 14.356 508 3HB ALA 472 3HB ALA 472 11.123 0.530 12.595 509 H ILE 473 H ILE 473 8.765 0.531 11.645 510 HA ILE 473 HA ILE 473 7.382 2.455 13.114 511 HB ILE 473 HB ILE 473 6.704 1.430 10.353 512 1HG1 ILE 473 2HG1 ILE 473 8.393 3.817 11.112 513 2HG1 ILE 473 1HG1 ILE 473 9.071 2.242 10.714 514 1HG2 ILE 473 1HG2 ILE 473 5.967 3.990 11.764 515 2HG2 ILE 473 2HG2 ILE 473 4.873 2.711 11.236 516 3HG2 ILE 473 3HG2 ILE 473 5.725 3.691 10.043 517 1HD1 ILE 473 1HD1 ILE 473 8.886 4.106 8.907 518 2HD1 ILE 473 2HD1 ILE 473 7.215 3.555 8.791 519 3HD1 ILE 473 3HD1 ILE 473 8.539 2.429 8.493 520 H SER 474 H SER 474 6.208 -0.598 11.720 521 HA SER 474 HA SER 474 3.554 -0.243 12.748 522 1HB SER 474 2HB SER 474 3.070 -2.376 11.794 523 2HB SER 474 1HB SER 474 4.161 -1.563 10.674 524 HG SER 474 HG SER 474 4.540 -3.840 12.161 525 H LYS 475 H LYS 475 6.406 -1.008 14.256 526 HA LYS 475 HA LYS 475 5.141 -2.809 16.193 527 1HB LYS 475 2HB LYS 475 7.394 -3.333 15.064 528 2HB LYS 475 1HB LYS 475 8.062 -2.096 16.120 529 1HG LYS 475 2HG LYS 475 6.989 -3.437 18.028 530 2HG LYS 475 1HG LYS 475 6.863 -4.740 16.845 531 1HD LYS 475 2HD LYS 475 9.490 -3.629 16.719 532 2HD LYS 475 1HD LYS 475 9.108 -3.991 18.402 533 1HE LYS 475 2HE LYS 475 8.447 -6.272 17.718 534 2HE LYS 475 1HE LYS 475 8.935 -5.895 16.067 535 1HZ LYS 475 1HZ LYS 475 10.868 -6.779 16.756 536 2HZ LYS 475 2HZ LYS 475 10.568 -6.483 18.394 537 3HZ LYS 475 3HZ LYS 475 11.140 -5.238 17.402 538 H ASN 476 H ASN 476 6.057 0.444 15.775 539 HA ASN 476 HA ASN 476 5.986 0.882 18.688 540 1HB ASN 476 2HB ASN 476 8.026 1.571 17.104 541 2HB ASN 476 1HB ASN 476 7.030 3.007 16.894 542 1HD2 ASN 476 1HD2 ASN 476 8.888 4.039 17.920 543 2HD2 ASN 476 2HD2 ASN 476 8.963 4.080 19.647 544 H TYR 477 H TYR 477 4.417 1.540 15.701 545 HA TYR 477 HA TYR 477 2.904 3.757 16.872 546 1HB TYR 477 2HB TYR 477 3.333 2.788 14.074 547 2HB TYR 477 1HB TYR 477 1.906 3.748 14.446 548 HD1 TYR 477 1HD TYR 477 2.120 6.088 15.124 549 HD2 TYR 477 2HD TYR 477 5.540 3.773 14.102 550 HE1 TYR 477 1HE TYR 477 3.447 8.148 14.928 551 HE2 TYR 477 2HE TYR 477 6.879 5.827 13.903 552 HH TYR 477 HH TYR 477 6.273 8.375 13.383 553 HA PRO 478 HA PRO 478 -0.723 1.410 17.694 554 1HB PRO 478 2HB PRO 478 -2.692 3.158 16.987 555 2HB PRO 478 1HB PRO 478 -1.722 3.330 18.453 556 1HG PRO 478 2HG PRO 478 -1.412 4.690 15.809 557 2HG PRO 478 1HG PRO 478 -1.299 5.379 17.440 558 1HD PRO 478 2HD PRO 478 0.887 4.771 15.989 559 2HD PRO 478 1HD PRO 478 0.851 4.595 17.754 560 H PHE 479 H PHE 479 0.223 0.301 15.494 561 HA PHE 479 HA PHE 479 -1.658 0.542 13.300 562 1HB PHE 479 2HB PHE 479 0.905 -0.935 13.747 563 2HB PHE 479 1HB PHE 479 -0.179 -1.469 12.466 564 HD1 PHE 479 1HD PHE 479 1.829 1.373 13.690 565 HD2 PHE 479 2HD PHE 479 -0.351 -0.285 10.433 566 HE1 PHE 479 1HE PHE 479 2.743 3.105 12.202 567 HE2 PHE 479 2HE PHE 479 0.560 1.444 8.939 568 HZ PHE 479 HZ PHE 479 2.108 3.143 9.824 569 H VAL 480 H VAL 480 -2.965 -1.182 12.531 570 HA VAL 480 HA VAL 480 -3.576 -3.209 14.583 571 HB VAL 480 HB VAL 480 -5.536 -2.057 12.598 572 1HG1 VAL 480 1HG1 VAL 480 -6.274 -4.192 13.237 573 2HG1 VAL 480 2HG1 VAL 480 -7.165 -3.073 14.271 574 3HG1 VAL 480 3HG1 VAL 480 -5.779 -3.954 14.913 575 1HG2 VAL 480 1HG2 VAL 480 -4.664 -1.110 15.248 576 2HG2 VAL 480 2HG2 VAL 480 -6.409 -1.177 14.995 577 3HG2 VAL 480 3HG2 VAL 480 -5.396 -0.226 13.908 578 H ASN 481 H ASN 481 -4.440 -2.751 11.150 579 HA ASN 481 HA ASN 481 -3.366 -5.443 10.628 580 1HB ASN 481 2HB ASN 481 -6.056 -4.363 10.155 581 2HB ASN 481 1HB ASN 481 -5.351 -5.153 8.748 582 1HD2 ASN 481 1HD2 ASN 481 -6.952 -5.584 11.670 583 2HD2 ASN 481 2HD2 ASN 481 -6.813 -7.302 11.783 584 H ARG 482 H ARG 482 -1.481 -3.967 10.103 585 HA ARG 482 HA ARG 482 -1.520 -3.461 7.233 586 1HB ARG 482 2HB ARG 482 -1.549 -1.380 9.192 587 2HB ARG 482 1HB ARG 482 0.012 -1.362 8.384 588 1HG ARG 482 2HG ARG 482 -0.852 -0.498 6.533 589 2HG ARG 482 1HG ARG 482 -2.167 -1.673 6.505 590 1HD ARG 482 2HD ARG 482 -2.157 0.694 8.357 591 2HD ARG 482 1HD ARG 482 -2.812 0.779 6.724 592 HE ARG 482 HE ARG 482 -3.998 -0.504 9.008 593 1HH1 ARG 482 1HH1 ARG 482 -3.871 -0.417 5.521 594 2HH1 ARG 482 2HH1 ARG 482 -5.449 -1.102 5.323 595 1HH2 ARG 482 1HH2 ARG 482 -6.073 -1.404 8.748 596 2HH2 ARG 482 2HH2 ARG 482 -6.700 -1.662 7.155 597 H THR 483 H THR 483 -0.087 -5.025 6.722 598 HA THR 483 HA THR 483 2.263 -5.528 8.296 599 HB THR 483 HB THR 483 2.747 -6.913 6.046 600 HG1 THR 483 1HG THR 483 1.100 -6.494 4.775 601 1HG2 THR 483 1HG2 THR 483 0.643 -7.765 8.018 602 2HG2 THR 483 2HG2 THR 483 2.383 -7.892 8.276 603 3HG2 THR 483 3HG2 THR 483 1.613 -8.810 6.981 604 H ALA 484 H ALA 484 4.422 -5.709 7.059 605 HA ALA 484 HA ALA 484 5.234 -3.114 6.336 606 1HB ALA 484 1HB ALA 484 6.666 -5.723 5.839 607 2HB ALA 484 2HB ALA 484 6.774 -4.747 7.305 608 3HB ALA 484 3HB ALA 484 7.387 -4.117 5.777 609 H VAL 485 H VAL 485 3.894 -5.689 4.479 610 HA VAL 485 HA VAL 485 4.921 -4.942 1.937 611 HB VAL 485 HB VAL 485 2.377 -6.453 2.553 612 1HG1 VAL 485 1HG1 VAL 485 2.106 -6.786 0.360 613 2HG1 VAL 485 2HG1 VAL 485 3.818 -7.121 0.113 614 3HG1 VAL 485 3HG1 VAL 485 3.239 -5.454 0.136 615 1HG2 VAL 485 1HG2 VAL 485 4.241 -8.294 1.744 616 2HG2 VAL 485 2HG2 VAL 485 3.764 -7.986 3.415 617 3HG2 VAL 485 3HG2 VAL 485 5.195 -7.199 2.744 618 H MET 486 H MET 486 2.007 -4.093 3.746 619 HA MET 486 HA MET 486 0.756 -2.656 1.640 620 1HB MET 486 2HB MET 486 0.388 -2.693 4.627 621 2HB MET 486 1HB MET 486 -0.532 -1.602 3.600 622 1HG MET 486 2HG MET 486 -0.902 -3.977 2.332 623 2HG MET 486 1HG MET 486 -0.807 -4.485 4.018 624 1HE MET 486 1HE MET 486 -3.992 -3.695 1.679 625 2HE MET 486 2HE MET 486 -4.393 -4.728 3.049 626 3HE MET 486 3HE MET 486 -2.903 -5.001 2.147 627 H ILE 487 H ILE 487 2.504 -1.535 4.538 628 HA ILE 487 HA ILE 487 2.468 1.184 4.003 629 HB ILE 487 HB ILE 487 4.706 -0.341 5.343 630 1HG1 ILE 487 2HG1 ILE 487 2.669 1.047 6.967 631 2HG1 ILE 487 1HG1 ILE 487 2.090 -0.371 6.099 632 1HG2 ILE 487 1HG2 ILE 487 4.473 2.084 6.596 633 2HG2 ILE 487 2HG2 ILE 487 4.183 2.497 4.905 634 3HG2 ILE 487 3HG2 ILE 487 5.674 1.674 5.369 635 1HD1 ILE 487 1HD1 ILE 487 2.747 -1.261 8.111 636 2HD1 ILE 487 2HD1 ILE 487 4.129 -0.176 8.264 637 3HD1 ILE 487 3HD1 ILE 487 4.182 -1.518 7.120 638 H LYS 488 H LYS 488 4.451 -1.329 2.618 639 HA LYS 488 HA LYS 488 6.425 0.406 1.502 640 1HB LYS 488 2HB LYS 488 6.597 -2.123 1.973 641 2HB LYS 488 1HB LYS 488 5.749 -2.328 0.446 642 1HG LYS 488 2HG LYS 488 7.848 -0.538 -0.063 643 2HG LYS 488 1HG LYS 488 8.527 -1.830 0.928 644 1HD LYS 488 2HD LYS 488 8.736 -2.927 -1.021 645 2HD LYS 488 1HD LYS 488 7.007 -3.237 -0.845 646 1HE LYS 488 2HE LYS 488 7.533 -0.643 -2.027 647 2HE LYS 488 1HE LYS 488 8.256 -1.950 -2.960 648 1HZ LYS 488 1HZ LYS 488 6.135 -1.776 -3.827 649 2HZ LYS 488 2HZ LYS 488 5.415 -1.493 -2.322 650 3HZ LYS 488 3HZ LYS 488 5.965 -3.043 -2.717 651 H ASP 489 H ASP 489 3.350 -0.876 0.422 652 HA ASP 489 HA ASP 489 3.656 -0.131 -2.313 653 1HB ASP 489 2HB ASP 489 1.487 -1.198 -0.603 654 2HB ASP 489 1HB ASP 489 0.972 -0.283 -2.018 655 H ARG 490 H ARG 490 2.538 1.491 0.562 656 HA ARG 490 HA ARG 490 1.171 3.615 -0.743 657 1HB ARG 490 2HB ARG 490 1.108 2.806 1.756 658 2HB ARG 490 1HB ARG 490 2.432 3.947 1.952 659 1HG ARG 490 2HG ARG 490 1.072 5.716 1.864 660 2HG ARG 490 1HG ARG 490 0.147 5.054 0.514 661 1HD ARG 490 2HD ARG 490 -1.227 3.780 1.953 662 2HD ARG 490 1HD ARG 490 -0.148 4.030 3.326 663 HE ARG 490 HE ARG 490 -1.233 5.990 3.750 664 1HH1 ARG 490 1HH1 ARG 490 -1.858 5.087 0.437 665 2HH1 ARG 490 2HH1 ARG 490 -3.008 6.354 0.176 666 1HH2 ARG 490 1HH2 ARG 490 -2.749 7.660 3.407 667 2HH2 ARG 490 2HH2 ARG 490 -3.514 7.813 1.861 668 H TRP 491 H TRP 491 4.394 3.405 0.760 669 HA TRP 491 HA TRP 491 5.215 6.005 0.081 670 1HB TRP 491 2HB TRP 491 6.261 4.168 1.678 671 2HB TRP 491 1HB TRP 491 7.223 3.801 0.251 672 HD1 TRP 491 HD TRP 491 9.416 5.101 0.120 673 HE1 TRP 491 1HE TRP 491 10.315 7.313 1.078 674 HE3 TRP 491 3HE TRP 491 5.192 6.736 2.489 675 HZ2 TRP 491 2HZ TRP 491 9.360 9.467 2.634 676 HZ3 TRP 491 3HZ TRP 491 5.268 8.882 3.690 677 HH2 TRP 491 HH TRP 491 7.310 10.219 3.760 678 H ARG 492 H ARG 492 5.399 2.956 -1.663 679 HA ARG 492 HA ARG 492 7.108 3.876 -3.733 680 1HB ARG 492 2HB ARG 492 6.217 1.436 -2.985 681 2HB ARG 492 1HB ARG 492 5.165 1.733 -4.361 682 1HG ARG 492 2HG ARG 492 7.290 2.281 -5.655 683 2HG ARG 492 1HG ARG 492 8.158 1.556 -4.301 684 1HD ARG 492 2HD ARG 492 7.699 -0.501 -5.021 685 2HD ARG 492 1HD ARG 492 5.979 -0.132 -5.152 686 HE ARG 492 HE ARG 492 6.250 0.206 -7.404 687 1HH1 ARG 492 1HH1 ARG 492 9.388 0.104 -5.879 688 2HH1 ARG 492 2HH1 ARG 492 10.254 0.066 -7.377 689 1HH2 ARG 492 1HH2 ARG 492 7.388 0.156 -9.375 690 2HH2 ARG 492 2HH2 ARG 492 9.119 0.096 -9.363 691 H THR 493 H THR 493 3.601 3.737 -3.355 692 HA THR 493 HA THR 493 3.033 4.608 -6.014 693 HB THR 493 HB THR 493 1.270 4.648 -3.559 694 HG1 THR 493 1HG THR 493 1.000 2.602 -3.882 695 1HG2 THR 493 1HG2 THR 493 -0.244 5.627 -4.838 696 2HG2 THR 493 2HG2 THR 493 -0.271 4.157 -5.813 697 3HG2 THR 493 3HG2 THR 493 0.782 5.496 -6.265 698 H MET 494 H MET 494 3.714 6.205 -3.006 699 HA MET 494 HA MET 494 2.691 8.762 -3.891 700 1HB MET 494 2HB MET 494 3.133 7.658 -1.422 701 2HB MET 494 1HB MET 494 4.508 8.742 -1.582 702 1HG MET 494 2HG MET 494 3.247 10.574 -1.351 703 2HG MET 494 1HG MET 494 1.947 9.929 -2.352 704 1HE MET 494 1HE MET 494 3.272 10.979 0.647 705 2HE MET 494 2HE MET 494 2.881 9.834 1.930 706 3HE MET 494 3HE MET 494 1.766 11.145 1.550 707 H LYS 495 H LYS 495 5.747 7.083 -3.814 708 HA LYS 495 HA LYS 495 7.242 9.487 -4.473 709 1HB LYS 495 2HB LYS 495 7.939 7.306 -3.053 710 2HB LYS 495 1HB LYS 495 8.543 6.829 -4.634 711 1HG LYS 495 2HG LYS 495 9.946 8.768 -4.751 712 2HG LYS 495 1HG LYS 495 9.241 9.418 -3.268 713 1HD LYS 495 2HD LYS 495 10.056 7.165 -2.232 714 2HD LYS 495 1HD LYS 495 11.135 7.135 -3.628 715 1HE LYS 495 2HE LYS 495 11.617 9.616 -2.867 716 2HE LYS 495 1HE LYS 495 11.069 9.001 -1.309 717 1HZ LYS 495 1HZ LYS 495 12.846 7.594 -1.138 718 2HZ LYS 495 2HZ LYS 495 13.568 8.869 -1.982 719 3HZ LYS 495 3HZ LYS 495 13.079 7.475 -2.810 720 H ARG 496 H ARG 496 5.690 6.890 -6.107 721 HA ARG 496 HA ARG 496 7.273 7.172 -8.521 722 1HB ARG 496 2HB ARG 496 4.951 5.436 -7.728 723 2HB ARG 496 1HB ARG 496 5.424 5.584 -9.415 724 1HG ARG 496 2HG ARG 496 7.782 5.074 -7.966 725 2HG ARG 496 1HG ARG 496 6.559 3.959 -7.357 726 1HD ARG 496 2HD ARG 496 7.049 2.683 -9.122 727 2HD ARG 496 1HD ARG 496 6.181 3.878 -10.085 728 HE ARG 496 HE ARG 496 8.784 4.790 -9.821 729 1HH1 ARG 496 1HH1 ARG 496 7.143 2.047 -11.223 730 2HH1 ARG 496 2HH1 ARG 496 8.331 1.809 -12.459 731 1HH2 ARG 496 1HH2 ARG 496 10.350 4.477 -11.448 732 2HH2 ARG 496 2HH2 ARG 496 10.153 3.188 -12.587 733 H LEU 497 H LEU 497 4.143 8.158 -7.285 734 HA LEU 497 HA LEU 497 3.882 9.984 -9.557 735 1HB LEU 497 2HB LEU 497 2.151 7.712 -8.977 736 2HB LEU 497 1HB LEU 497 1.264 9.221 -9.063 737 HG LEU 497 HG LEU 497 3.155 8.850 -11.272 738 1HD1 LEU 497 1HD1 LEU 497 2.690 6.655 -11.531 739 2HD1 LEU 497 2HD1 LEU 497 1.226 7.288 -12.280 740 3HD1 LEU 497 3HD1 LEU 497 1.196 6.748 -10.602 741 1HD2 LEU 497 1HD2 LEU 497 1.623 10.646 -11.381 742 2HD2 LEU 497 2HD2 LEU 497 0.260 9.605 -10.973 743 3HD2 LEU 497 3HD2 LEU 497 1.053 9.447 -12.541 744 H GLY 498 H GLY 498 4.602 11.487 -7.899 745 1HA GLY 498 2HA GLY 498 2.670 13.132 -6.898 746 2HA GLY 498 1HA GLY 498 2.938 11.974 -5.606 747 H MET 499 H MET 499 5.351 11.647 -5.085 748 HA MET 499 HA MET 499 6.417 14.245 -4.456 749 1HB MET 499 2HB MET 499 7.378 11.446 -3.858 750 2HB MET 499 1HB MET 499 8.222 12.891 -3.326 751 1HG MET 499 2HG MET 499 5.576 13.257 -2.526 752 2HG MET 499 1HG MET 499 5.939 11.569 -2.178 753 1HE MET 499 1HE MET 499 5.642 14.315 0.322 754 2HE MET 499 2HE MET 499 5.909 14.948 -1.303 755 3HE MET 499 3HE MET 499 7.086 15.266 -0.029 756 H ASN 500 H ASN 500 6.602 12.380 -7.170 757 HA ASN 500 HA ASN 500 9.269 13.438 -7.846 758 1HB ASN 500 2HB ASN 500 8.241 10.742 -8.018 759 2HB ASN 500 1HB ASN 500 8.712 11.323 -9.612 760 1HD2 ASN 500 1HD2 ASN 500 10.832 11.593 -10.089 761 2HD2 ASN 500 2HD2 ASN 500 12.121 11.171 -9.018 Start of MODEL 9 1 2H5* G 1 H5' GUA 1 7.669 -15.421 10.817 2 H4* G 1 H4' GUA 1 9.337 -13.608 11.425 3 H3* G 1 H3' GUA 1 7.030 -13.296 10.118 4 H1* G 1 H1' GUA 1 10.309 -12.028 8.382 5 H8 G 1 8H GUA 1 8.690 -15.114 6.779 6 H1 G 1 1H GUA 1 14.400 -13.441 4.384 7 1H2 G 1 1H2 GUA 1 14.473 -11.135 6.962 8 2H2 G 1 2H2 GUA 1 15.283 -11.822 5.570 9 2H2* G 1 H2' GUA 1 7.976 -11.905 7.992 10 H5T G 1 H5T GUA 1 8.869 -15.186 8.489 11 2H5* T 2 H5' THY 2 9.863 -9.107 10.597 12 H4* T 2 H4' THY 2 11.522 -8.150 9.321 13 H3* T 2 H3' THY 2 9.073 -7.070 8.929 14 2H2* T 2 H2' THY 2 9.284 -6.783 6.245 15 H1* T 2 H1' THY 2 11.377 -7.910 5.941 16 H3 T 2 3H THY 2 10.996 -10.681 2.478 17 1H5M T 2 1H7 THY 2 7.725 -13.199 4.536 18 2H5M T 2 2H7 THY 2 6.658 -11.785 4.723 19 3H5M T 2 3H7 THY 2 7.515 -12.445 6.135 20 H6 T 2 6H THY 2 8.609 -10.296 6.591 21 2H5* T 3 H5' THY 3 12.967 -4.642 6.579 22 H4* T 3 H4' THY 3 13.957 -4.845 4.535 23 H3* T 3 H3' THY 3 11.882 -3.108 4.497 24 2H2* T 3 H2' THY 3 10.890 -3.857 2.094 25 H1* T 3 H1' THY 3 12.346 -5.725 1.701 26 H3 T 3 3H THY 3 10.019 -9.287 0.362 27 1H5M T 3 1H7 THY 3 7.928 -8.328 5.030 28 2H5M T 3 2H7 THY 3 6.924 -8.926 3.690 29 3H5M T 3 3H7 THY 3 6.990 -7.183 4.041 30 H6 T 3 6H THY 3 9.588 -6.345 4.092 31 2H5* A 4 H5' ADE 4 14.557 -2.757 -0.156 32 H4* A 4 H4' ADE 4 14.417 -4.018 -2.107 33 H3* A 4 H3' ADE 4 12.746 -1.884 -1.937 34 H1* A 4 H1' ADE 4 11.562 -5.297 -3.276 35 H8 A 4 8H ADE 4 10.089 -4.537 0.236 36 1H6 A 4 1H6 ADE 4 7.037 -8.316 0.426 37 2H6 A 4 2H6 ADE 4 6.716 -9.654 -0.656 38 H2 A 4 2H ADE 4 9.439 -9.148 -4.183 39 2H2* A 4 H2' ADE 4 10.632 -3.088 -3.130 40 2H5* G 5 H5' GUA 5 13.347 -3.643 -6.787 41 H4* G 5 H4' GUA 5 12.353 -5.240 -8.080 42 H3* G 5 H3' GUA 5 11.157 -2.837 -8.321 43 H1* G 5 H1' GUA 5 9.025 -6.038 -7.841 44 H8 G 5 8H GUA 5 9.272 -3.896 -4.619 45 H1 G 5 1H GUA 5 5.125 -8.787 -4.462 46 1H2 G 5 1H2 GUA 5 6.268 -9.469 -7.657 47 2H2 G 5 2H2 GUA 5 5.199 -9.913 -6.344 48 2H2* G 5 H2' GUA 5 8.603 -3.732 -8.317 49 2H5* G 6 H5' GUA 6 9.495 -6.344 -11.550 50 H4* G 6 H4' GUA 6 7.751 -7.761 -11.835 51 H3* G 6 H3' GUA 6 7.140 -5.317 -12.785 52 H1* G 6 H1' GUA 6 4.617 -7.204 -10.525 53 H8 G 6 8H GUA 6 6.414 -4.300 -8.699 54 H1 G 6 1H GUA 6 1.761 -7.254 -5.421 55 1H2 G 6 1H2 GUA 6 1.553 -9.337 -8.176 56 2H2 G 6 2H2 GUA 6 0.953 -8.932 -6.581 57 2H2* G 6 H2' GUA 6 4.621 -5.187 -11.813 58 2H5* G 7 H5' GUA 7 3.654 -8.872 -14.126 59 H4* G 7 H4' GUA 7 1.661 -9.693 -13.343 60 H3* G 7 H3' GUA 7 1.344 -7.593 -14.982 61 H1* G 7 H1' GUA 7 -0.564 -7.658 -11.589 62 H8 G 7 8H GUA 7 2.534 -5.326 -11.592 63 H1 G 7 1H GUA 7 -1.231 -5.030 -6.408 64 1H2 G 7 1H2 GUA 7 -3.047 -7.537 -7.953 65 2H2 G 7 2H2 GUA 7 -2.869 -6.484 -6.567 66 2H2* G 7 H2' GUA 7 -0.537 -6.287 -13.541 67 2H5* T 8 H5' THY 8 -2.801 -9.830 -13.461 68 H4* T 8 H4' THY 8 -4.532 -9.646 -12.007 69 H3* T 8 H3' THY 8 -5.083 -8.367 -14.313 70 2H2* T 8 H2' THY 8 -6.227 -6.174 -13.213 71 H1* T 8 H1' THY 8 -5.777 -6.622 -10.912 72 H3 T 8 3H THY 8 -4.184 -2.874 -9.121 73 1H5M T 8 1H7 THY 8 -0.161 -4.338 -11.938 74 2H5M T 8 2H7 THY 8 -1.098 -3.710 -13.314 75 3H5M T 8 3H7 THY 8 -0.633 -2.624 -11.985 76 H6 T 8 6H THY 8 -2.608 -5.710 -12.617 77 2H5* T 9 H5' THY 9 -8.824 -8.773 -11.006 78 H4* T 9 H4' THY 9 -9.865 -7.549 -9.449 79 H3* T 9 H3' THY 9 -10.903 -6.855 -11.841 80 2H2* T 9 H2' THY 9 -10.994 -4.185 -11.392 81 H1* T 9 H1' THY 9 -9.841 -4.125 -9.298 82 H3 T 9 3H THY 9 -6.641 -1.017 -9.326 83 1H5M T 9 1H7 THY 9 -4.517 -3.083 -12.943 84 2H5M T 9 2H7 THY 9 -5.720 -4.260 -13.527 85 3H5M T 9 3H7 THY 9 -5.890 -2.535 -13.935 86 H6 T 9 6H THY 9 -7.647 -4.666 -12.226 87 2H5* A 10 H5' ADE 10 -13.243 -4.845 -7.780 88 H4* A 10 H4' ADE 10 -13.013 -2.862 -6.722 89 H3* A 10 H3' ADE 10 -14.856 -2.663 -8.702 90 H1* A 10 H1' ADE 10 -12.180 0.058 -8.153 91 H8 A 10 8H ADE 10 -11.495 -2.027 -11.356 92 1H6 A 10 1H6 ADE 10 -7.815 0.668 -13.039 93 2H6 A 10 2H6 ADE 10 -6.973 2.070 -12.415 94 H2 A 10 2H ADE 10 -8.864 3.070 -8.476 95 2H2* A 10 H2' ADE 10 -14.127 -0.190 -9.532 96 2H5* G 11 H5' GUA 11 -15.441 1.225 -5.099 97 H4* G 11 H4' GUA 11 -14.074 3.089 -4.878 98 H3* G 11 H3' GUA 11 -16.403 3.496 -6.189 99 H1* G 11 H1' GUA 11 -13.084 4.945 -7.532 100 H8 G 11 8H GUA 11 -14.202 1.803 -9.522 101 H1 G 11 1H GUA 11 -9.430 5.242 -12.083 102 1H2 G 11 1H2 GUA 11 -9.766 7.240 -9.276 103 2H2 G 11 2H2 GUA 11 -8.929 6.940 -10.783 104 2H2* G 11 H2' GUA 11 -15.408 5.132 -8.101 105 2H5* G 12 H5' GUA 12 -14.402 8.006 -4.346 106 H4* G 12 H4' GUA 12 -12.684 9.322 -5.190 107 H3* G 12 H3' GUA 12 -15.167 10.196 -5.710 108 H1* G 12 H1' GUA 12 -12.560 10.045 -8.587 109 H8 G 12 8H GUA 12 -14.982 7.010 -8.600 110 H1 G 12 1H GUA 12 -11.471 7.868 -13.898 111 1H2 G 12 1H2 GUA 12 -10.141 10.585 -12.217 112 2H2 G 12 2H2 GUA 12 -10.159 9.615 -13.673 113 2H2* G 12 H2' GUA 12 -14.785 10.869 -8.301 114 2H5* G 13 H5' GUA 13 -11.733 14.024 -7.021 115 H4* G 13 H4' GUA 13 -10.451 14.456 -8.963 116 H3* G 13 H3' GUA 13 -12.759 15.789 -8.621 117 H1* G 13 H1' GUA 13 -12.004 14.125 -12.049 118 H8 G 13 8H GUA 13 -14.423 12.030 -9.852 119 H1 G 13 1H GUA 13 -13.921 10.269 -16.000 120 1H2 G 13 1H2 GUA 13 -11.633 12.853 -16.243 121 2H2 G 13 2H2 GUA 13 -12.482 11.552 -17.048 122 H3T G 13 H3T GUA 13 -10.627 16.333 -9.690 123 2H2* G 13 H2' GUA 13 -13.679 15.574 -11.154 124 2H5* C 14 H5' CYT 14 -12.899 7.980 -24.596 125 H4* C 14 H4' CYT 14 -11.667 9.989 -23.684 126 H3* C 14 H3' CYT 14 -10.970 7.407 -23.429 127 H1* C 14 H1' CYT 14 -11.218 9.647 -20.261 128 1H4 C 14 1H4 CYT 14 -16.565 7.441 -17.021 129 2H4 C 14 2H4 CYT 14 -15.757 8.598 -15.985 130 H5 C 14 5H CYT 14 -15.773 6.884 -19.242 131 H6 C 14 6H CYT 14 -14.049 7.323 -20.912 132 2H2* C 14 H2' CYT 14 -10.480 7.434 -20.766 133 H5T C 14 H5T CYT 14 -14.910 7.638 -23.418 134 2H5* C 15 H5' CYT 15 -7.139 10.500 -21.594 135 H4* C 15 H4' CYT 15 -6.750 11.417 -19.522 136 H3* C 15 H3' CYT 15 -5.563 9.027 -19.883 137 H1* C 15 H1' CYT 15 -7.528 9.739 -16.609 138 1H4 C 15 1H4 CYT 15 -12.939 5.926 -16.981 139 2H4 C 15 2H4 CYT 15 -12.846 6.562 -15.354 140 H5 C 15 5H CYT 15 -11.314 6.459 -18.696 141 H6 C 15 6H CYT 15 -9.279 7.707 -19.195 142 2H2* C 15 H2' CYT 15 -6.114 8.005 -17.437 143 2H5* C 16 H5' CYT 16 -4.047 11.649 -15.792 144 H4* C 16 H4' CYT 16 -4.717 11.698 -13.622 145 H3* C 16 H3' CYT 16 -2.632 10.033 -13.955 146 H1* C 16 H1' CYT 16 -5.731 8.840 -11.918 147 1H4 C 16 1H4 CYT 16 -8.654 4.332 -15.801 148 2H4 C 16 2H4 CYT 16 -9.335 4.177 -14.196 149 H5 C 16 5H CYT 16 -6.953 5.963 -16.354 150 H6 C 16 6H CYT 16 -5.562 7.771 -15.482 151 2H2* C 16 H2' CYT 16 -3.545 8.024 -12.382 152 2H5* T 17 H5' THY 17 -3.731 11.181 -8.986 153 H4* T 17 H4' THY 17 -5.321 10.213 -7.649 154 H3* T 17 H3' THY 17 -2.834 9.208 -7.256 155 2H2* T 17 H2' THY 17 -3.604 6.631 -6.941 156 H1* T 17 H1' THY 17 -5.921 6.896 -7.501 157 H3 T 17 3H THY 17 -7.058 3.623 -10.298 158 1H5M T 17 1H7 THY 17 -3.442 4.481 -13.062 159 2H5M T 17 2H7 THY 17 -4.109 6.079 -13.469 160 3H5M T 17 3H7 THY 17 -2.705 5.953 -12.386 161 H6 T 17 6H THY 17 -3.755 7.056 -10.509 162 2H5* A 18 H5' ADE 18 -5.943 7.652 -3.479 163 H4* A 18 H4' ADE 18 -6.871 5.773 -2.644 164 H3* A 18 H3' ADE 18 -4.247 5.722 -2.165 165 H1* A 18 H1' ADE 18 -5.855 2.573 -3.863 166 H8 A 18 8H ADE 18 -3.658 4.744 -6.176 167 1H6 A 18 1H6 ADE 18 -4.196 2.090 -10.211 168 2H6 A 18 2H6 ADE 18 -5.170 0.689 -10.606 169 H2 A 18 2H ADE 18 -7.491 -0.352 -6.914 170 2H2* A 18 H2' ADE 18 -3.756 3.173 -2.951 171 2H5* A 19 H5' ADE 19 -7.021 2.080 -0.873 172 H4* A 19 H4' ADE 19 -7.646 -0.067 -0.732 173 H3* A 19 H3' ADE 19 -5.291 0.106 0.468 174 H1* A 19 H1' ADE 19 -5.478 -2.493 -2.593 175 H8 A 19 8H ADE 19 -3.581 0.824 -2.971 176 1H6 A 19 1H6 ADE 19 -2.463 0.383 -7.683 177 2H6 A 19 2H6 ADE 19 -2.905 -0.780 -8.916 178 H2 A 19 2H ADE 19 -5.633 -3.756 -6.972 179 2H2* A 19 H2' ADE 19 -4.097 -2.021 -0.791 180 2H5* C 20 H5' CYT 20 -7.330 -4.554 0.354 181 H4* C 20 H4' CYT 20 -7.145 -6.293 -1.071 182 H3* C 20 H3' CYT 20 -5.259 -6.500 0.839 183 H1* C 20 H1' CYT 20 -4.300 -6.990 -2.891 184 1H4 C 20 1H4 CYT 20 -0.598 -1.711 -4.433 185 2H4 C 20 2H4 CYT 20 -0.602 -2.779 -5.820 186 H5 C 20 5H CYT 20 -1.833 -2.185 -2.405 187 H6 C 20 6H CYT 20 -3.318 -3.777 -1.300 188 2H2* C 20 H2' CYT 20 -3.217 -7.244 -0.776 189 2H5* C 21 H5' CYT 21 -6.044 -10.863 -1.886 190 H4* C 21 H4' CYT 21 -5.081 -11.561 -3.811 191 H3* C 21 H3' CYT 21 -3.695 -12.477 -1.692 192 H1* C 21 H1' CYT 21 -1.830 -10.862 -4.683 193 1H4 C 21 1H4 CYT 21 0.534 -5.112 -2.382 194 2H4 C 21 2H4 CYT 21 1.208 -5.363 -3.977 195 H5 C 21 5H CYT 21 -1.014 -6.661 -1.349 196 H6 C 21 6H CYT 21 -2.227 -8.760 -1.639 197 2H2* C 21 H2' CYT 21 -1.218 -12.021 -2.682 198 2H5* C 22 H5' CYT 22 -1.761 -14.526 -5.991 199 H4* C 22 H4' CYT 22 0.150 -14.528 -7.229 200 H3* C 22 H3' CYT 22 0.469 -15.891 -4.937 201 H1* C 22 H1' CYT 22 3.152 -13.271 -5.980 202 1H4 C 22 1H4 CYT 22 2.395 -8.286 -1.674 203 2H4 C 22 2H4 CYT 22 3.799 -7.930 -2.657 204 H5 C 22 5H CYT 22 1.034 -10.264 -1.995 205 H6 C 22 6H CYT 22 0.744 -12.294 -3.320 206 2H2* C 22 H2' CYT 22 2.908 -14.923 -4.277 207 2H5* T 23 H5' THY 23 4.314 -16.064 -8.132 208 H4* T 23 H4' THY 23 6.336 -15.146 -8.439 209 H3* T 23 H3' THY 23 6.602 -17.165 -6.671 210 2H2* T 23 H2' THY 23 8.270 -15.894 -4.960 211 H1* T 23 H1' THY 23 8.232 -13.722 -5.959 212 H3 T 23 3H THY 23 7.552 -10.613 -2.843 213 1H5M T 23 1H7 THY 23 3.434 -14.087 -2.551 214 2H5M T 23 2H7 THY 23 3.327 -12.445 -1.872 215 3H5M T 23 3H7 THY 23 4.255 -13.700 -1.019 216 H6 T 23 6H THY 23 5.128 -14.524 -4.100 217 2H5* A 24 H5' ADE 24 11.158 -15.449 -8.512 218 H4* A 24 H4' ADE 24 12.576 -13.809 -7.839 219 H3* A 24 H3' ADE 24 13.166 -16.142 -6.627 220 H1* A 24 H1' ADE 24 12.974 -12.871 -4.558 221 H8 A 24 8H ADE 24 9.927 -15.203 -3.977 222 1H6 A 24 1H6 ADE 24 7.915 -12.661 -0.354 223 2H6 A 24 2H6 ADE 24 8.324 -11.146 0.418 224 H2 A 24 2H ADE 24 12.015 -9.610 -1.613 225 2H2* A 24 H2' ADE 24 13.630 -15.134 -4.160 226 2H5* A 25 H5' ADE 25 17.149 -12.679 -6.175 227 H4* A 25 H4' ADE 25 17.330 -10.906 -4.701 228 H3* A 25 H3' ADE 25 18.628 -13.148 -3.943 229 H1* A 25 H1' ADE 25 16.466 -11.171 -1.413 230 H8 A 25 8H ADE 25 14.683 -14.397 -2.653 231 1H6 A 25 1H6 ADE 25 11.080 -14.365 0.610 232 2H6 A 25 2H6 ADE 25 10.649 -13.274 1.909 233 H2 A 25 2H ADE 25 13.702 -9.989 1.907 234 2H2* A 25 H2' ADE 25 17.980 -13.025 -1.317 235 2H5* C 26 H5' CYT 26 19.965 -8.960 -1.209 236 H4* C 26 H4' CYT 26 19.044 -7.989 0.677 237 H3* C 26 H3' CYT 26 21.190 -9.527 1.150 238 H1* C 26 H1' CYT 26 18.006 -9.995 3.345 239 1H4 C 26 1H4 CYT 26 15.469 -15.804 1.404 240 2H4 C 26 2H4 CYT 26 14.683 -15.354 2.901 241 H5 C 26 5H CYT 26 17.163 -14.436 0.344 242 H6 C 26 6H CYT 26 18.441 -12.365 0.504 243 H3T C 26 H3T CYT 26 21.048 -7.739 2.315 244 2H2* C 26 H2' CYT 26 20.246 -10.811 3.337 245 1H GLU 438 H GLU 438 -23.036 -18.172 5.642 246 HA GLU 438 HA GLU 438 -24.806 -16.562 3.923 247 1HB GLU 438 2HB GLU 438 -23.827 -16.103 6.579 248 2HB GLU 438 1HB GLU 438 -23.193 -14.858 5.511 249 1HG GLU 438 2HG GLU 438 -25.403 -14.234 4.830 250 2HG GLU 438 1HG GLU 438 -26.105 -15.586 5.716 251 H ASP 439 H ASP 439 -23.953 -15.559 2.198 252 HA ASP 439 HA ASP 439 -21.049 -15.804 1.796 253 1HB ASP 439 2HB ASP 439 -23.278 -16.427 0.121 254 2HB ASP 439 1HB ASP 439 -22.361 -15.131 -0.639 255 H SER 440 H SER 440 -22.335 -13.666 3.298 256 HA SER 440 HA SER 440 -21.719 -11.374 1.552 257 1HB SER 440 2HB SER 440 -23.882 -11.866 3.456 258 2HB SER 440 1HB SER 440 -23.055 -10.337 3.750 259 HG SER 440 HG SER 440 -24.833 -10.904 1.865 260 H THR 441 H THR 441 -19.575 -11.081 1.923 261 HA THR 441 HA THR 441 -18.836 -10.001 4.498 262 HB THR 441 HB THR 441 -16.696 -11.694 4.130 263 HG1 THR 441 1HG THR 441 -18.123 -12.822 2.585 264 1HG2 THR 441 1HG2 THR 441 -17.129 -12.025 6.265 265 2HG2 THR 441 2HG2 THR 441 -18.486 -13.061 5.825 266 3HG2 THR 441 3HG2 THR 441 -18.739 -11.334 6.066 267 H THR 442 H THR 442 -16.885 -11.425 1.892 268 HA THR 442 HA THR 442 -15.437 -8.931 1.614 269 HB THR 442 HB THR 442 -14.366 -10.503 -0.297 270 HG1 THR 442 1HG THR 442 -14.388 -12.647 0.520 271 1HG2 THR 442 1HG2 THR 442 -13.772 -10.862 2.629 272 2HG2 THR 442 2HG2 THR 442 -13.140 -9.568 1.609 273 3HG2 THR 442 3HG2 THR 442 -12.703 -11.244 1.279 274 H ASN 443 H ASN 443 -17.780 -10.833 -0.157 275 HA ASN 443 HA ASN 443 -19.060 -10.371 -1.984 276 1HB ASN 443 2HB ASN 443 -18.459 -7.776 -0.818 277 2HB ASN 443 1HB ASN 443 -18.697 -7.669 -2.559 278 1HD2 ASN 443 1HD2 ASN 443 -20.144 -8.973 0.388 279 2HD2 ASN 443 2HD2 ASN 443 -21.784 -8.787 -0.125 280 H ILE 444 H ILE 444 -16.244 -11.107 -2.256 281 HA ILE 444 HA ILE 444 -14.865 -11.587 -4.014 282 HB ILE 444 HB ILE 444 -16.509 -9.761 -5.762 283 1HG1 ILE 444 2HG1 ILE 444 -17.155 -12.515 -6.166 284 2HG1 ILE 444 1HG1 ILE 444 -17.355 -12.151 -4.456 285 1HG2 ILE 444 1HG2 ILE 444 -14.408 -10.385 -6.733 286 2HG2 ILE 444 2HG2 ILE 444 -15.691 -11.289 -7.540 287 3HG2 ILE 444 3HG2 ILE 444 -14.677 -12.082 -6.334 288 1HD1 ILE 444 1HD1 ILE 444 -19.360 -11.384 -4.990 289 2HD1 ILE 444 2HD1 ILE 444 -18.995 -11.406 -6.713 290 3HD1 ILE 444 3HD1 ILE 444 -18.543 -10.012 -5.734 291 H THR 445 H THR 445 -15.896 -8.167 -4.257 292 HA THR 445 HA THR 445 -13.108 -7.402 -4.661 293 HB THR 445 HB THR 445 -14.851 -6.463 -6.154 294 HG1 THR 445 1HG THR 445 -14.147 -4.305 -5.944 295 1HG2 THR 445 1HG2 THR 445 -16.796 -5.892 -5.234 296 2HG2 THR 445 2HG2 THR 445 -15.977 -4.392 -4.794 297 3HG2 THR 445 3HG2 THR 445 -16.093 -5.708 -3.625 298 H LYS 446 H LYS 446 -12.064 -5.829 -3.365 299 HA LYS 446 HA LYS 446 -13.330 -4.944 -0.918 300 1HB LYS 446 2HB LYS 446 -12.020 -7.368 -0.838 301 2HB LYS 446 1HB LYS 446 -10.775 -6.244 -0.308 302 1HG LYS 446 2HG LYS 446 -12.944 -5.426 1.142 303 2HG LYS 446 1HG LYS 446 -13.175 -7.174 1.065 304 1HD LYS 446 2HD LYS 446 -10.746 -7.375 1.783 305 2HD LYS 446 1HD LYS 446 -10.818 -5.650 2.153 306 1HE LYS 446 2HE LYS 446 -12.488 -5.982 3.800 307 2HE LYS 446 1HE LYS 446 -12.776 -7.642 3.275 308 1HZ LYS 446 1HZ LYS 446 -10.095 -6.913 4.216 309 2HZ LYS 446 2HZ LYS 446 -10.909 -8.394 4.319 310 3HZ LYS 446 3HZ LYS 446 -11.320 -7.128 5.364 311 H LYS 447 H LYS 447 -12.802 -2.870 -0.847 312 HA LYS 447 HA LYS 447 -10.019 -2.107 -1.435 313 1HB LYS 447 2HB LYS 447 -11.936 -1.471 -3.143 314 2HB LYS 447 1HB LYS 447 -12.241 -0.186 -1.983 315 1HG LYS 447 2HG LYS 447 -10.340 0.923 -2.498 316 2HG LYS 447 1HG LYS 447 -9.436 -0.557 -2.824 317 1HD LYS 447 2HD LYS 447 -11.310 -0.558 -4.827 318 2HD LYS 447 1HD LYS 447 -10.958 1.161 -4.641 319 1HE LYS 447 2HE LYS 447 -9.436 0.363 -6.257 320 2HE LYS 447 1HE LYS 447 -8.506 0.536 -4.769 321 1HZ LYS 447 1HZ LYS 447 -7.974 -1.597 -4.880 322 2HZ LYS 447 2HZ LYS 447 -8.805 -1.739 -6.344 323 3HZ LYS 447 3HZ LYS 447 -9.601 -2.056 -4.886 324 H GLN 448 H GLN 448 -9.288 -1.829 0.610 325 HA GLN 448 HA GLN 448 -10.839 -0.069 2.385 326 1HB GLN 448 2HB GLN 448 -9.316 -2.498 2.838 327 2HB GLN 448 1HB GLN 448 -8.776 -1.197 3.889 328 1HG GLN 448 2HG GLN 448 -11.562 -1.101 3.973 329 2HG GLN 448 1HG GLN 448 -11.146 -2.813 4.040 330 1HE2 GLN 448 1HE2 GLN 448 -10.173 -3.629 5.837 331 2HE2 GLN 448 2HE2 GLN 448 -9.903 -2.717 7.279 332 H LYS 449 H LYS 449 -10.032 1.775 1.185 333 HA LYS 449 HA LYS 449 -7.321 2.421 0.922 334 1HB LYS 449 2HB LYS 449 -8.116 4.759 0.662 335 2HB LYS 449 1HB LYS 449 -9.003 3.612 -0.334 336 1HG LYS 449 2HG LYS 449 -10.637 3.597 1.730 337 2HG LYS 449 1HG LYS 449 -9.902 5.171 2.033 338 1HD LYS 449 2HD LYS 449 -11.235 6.072 0.499 339 2HD LYS 449 1HD LYS 449 -10.505 5.038 -0.731 340 1HE LYS 449 2HE LYS 449 -12.224 3.554 -0.696 341 2HE LYS 449 1HE LYS 449 -12.544 3.800 1.020 342 1HZ LYS 449 1HZ LYS 449 -13.854 5.621 0.607 343 2HZ LYS 449 2HZ LYS 449 -14.214 4.664 -0.740 344 3HZ LYS 449 3HZ LYS 449 -13.134 5.958 -0.888 345 H TRP 450 H TRP 450 -6.297 4.358 2.039 346 HA TRP 450 HA TRP 450 -6.416 3.872 4.909 347 1HB TRP 450 2HB TRP 450 -4.451 5.423 3.216 348 2HB TRP 450 1HB TRP 450 -4.317 5.219 4.958 349 HD1 TRP 450 HD TRP 450 -5.506 2.097 3.300 350 HE1 TRP 450 1HE TRP 450 -3.576 0.401 3.141 351 HE3 TRP 450 3HE TRP 450 -1.620 5.176 4.534 352 HZ2 TRP 450 2HZ TRP 450 -0.773 0.375 3.493 353 HZ3 TRP 450 3HZ TRP 450 0.652 4.240 4.598 354 HH2 TRP 450 HH TRP 450 1.065 1.891 4.091 355 H THR 451 H THR 451 -6.042 5.818 6.342 356 HA THR 451 HA THR 451 -7.917 7.934 5.550 357 HB THR 451 HB THR 451 -7.101 7.942 8.347 358 HG1 THR 451 1HG THR 451 -8.187 5.990 8.857 359 1HG2 THR 451 1HG2 THR 451 -9.410 8.504 6.833 360 2HG2 THR 451 2HG2 THR 451 -9.136 8.767 8.554 361 3HG2 THR 451 3HG2 THR 451 -9.831 7.245 7.992 362 H VAL 452 H VAL 452 -7.247 9.947 7.242 363 HA VAL 452 HA VAL 452 -4.878 10.981 5.980 364 HB VAL 452 HB VAL 452 -5.343 13.056 7.170 365 1HG1 VAL 452 1HG1 VAL 452 -6.565 13.199 5.279 366 2HG1 VAL 452 2HG1 VAL 452 -7.922 13.114 6.402 367 3HG1 VAL 452 3HG1 VAL 452 -7.381 11.662 5.562 368 1HG2 VAL 452 1HG2 VAL 452 -6.653 13.258 8.982 369 2HG2 VAL 452 2HG2 VAL 452 -6.449 11.512 9.124 370 3HG2 VAL 452 3HG2 VAL 452 -7.884 12.171 8.337 371 H GLU 453 H GLU 453 -5.553 9.367 8.930 372 HA GLU 453 HA GLU 453 -3.274 10.451 10.346 373 1HB GLU 453 2HB GLU 453 -5.095 8.141 11.034 374 2HB GLU 453 1HB GLU 453 -3.889 8.839 12.103 375 1HG GLU 453 2HG GLU 453 -5.307 11.042 11.486 376 2HG GLU 453 1HG GLU 453 -6.565 9.813 11.372 377 H GLU 454 H GLU 454 -4.169 7.380 8.823 378 HA GLU 454 HA GLU 454 -1.882 5.923 9.478 379 1HB GLU 454 2HB GLU 454 -3.806 5.754 7.172 380 2HB GLU 454 1HB GLU 454 -2.449 4.648 7.317 381 1HG GLU 454 2HG GLU 454 -3.362 4.180 9.676 382 2HG GLU 454 1HG GLU 454 -4.843 4.931 9.085 383 H SER 455 H SER 455 -2.517 8.063 6.733 384 HA SER 455 HA SER 455 -0.025 7.539 5.445 385 1HB SER 455 2HB SER 455 -2.134 9.662 5.098 386 2HB SER 455 1HB SER 455 -0.629 9.701 4.183 387 HG SER 455 HG SER 455 -2.299 7.417 4.260 388 H GLU 456 H GLU 456 -1.043 9.685 7.968 389 HA GLU 456 HA GLU 456 1.154 11.509 7.725 390 1HB GLU 456 2HB GLU 456 -1.041 12.079 8.794 391 2HB GLU 456 1HB GLU 456 -0.604 11.029 10.136 392 1HG GLU 456 2HG GLU 456 1.526 12.521 10.248 393 2HG GLU 456 1HG GLU 456 0.538 13.664 9.342 394 H TRP 457 H TRP 457 0.485 8.603 9.574 395 HA TRP 457 HA TRP 457 2.695 8.764 11.325 396 1HB TRP 457 2HB TRP 457 1.288 6.267 10.361 397 2HB TRP 457 1HB TRP 457 2.239 6.440 11.835 398 HD1 TRP 457 HD TRP 457 0.789 9.386 12.462 399 HE1 TRP 457 1HE TRP 457 -1.538 9.306 13.556 400 HE3 TRP 457 3HE TRP 457 -0.512 4.591 11.248 401 HZ2 TRP 457 2HZ TRP 457 -3.649 7.458 13.858 402 HZ3 TRP 457 3HZ TRP 457 -2.708 3.750 11.972 403 HH2 TRP 457 HH TRP 457 -4.239 5.153 13.253 404 H VAL 458 H VAL 458 2.269 7.341 8.128 405 HA VAL 458 HA VAL 458 4.832 6.085 8.057 406 HB VAL 458 HB VAL 458 2.995 6.828 5.776 407 1HG1 VAL 458 1HG1 VAL 458 4.255 5.024 4.568 408 2HG1 VAL 458 2HG1 VAL 458 5.428 5.055 5.887 409 3HG1 VAL 458 3HG1 VAL 458 5.182 6.489 4.892 410 1HG2 VAL 458 1HG2 VAL 458 1.730 5.306 6.906 411 2HG2 VAL 458 2HG2 VAL 458 3.130 4.522 7.637 412 3HG2 VAL 458 3HG2 VAL 458 2.720 4.200 5.954 413 H LYS 459 H LYS 459 3.558 9.182 6.955 414 HA LYS 459 HA LYS 459 5.704 10.048 5.408 415 1HB LYS 459 2HB LYS 459 3.512 11.219 5.600 416 2HB LYS 459 1HB LYS 459 3.988 11.779 7.197 417 1HG LYS 459 2HG LYS 459 5.137 13.471 6.345 418 2HG LYS 459 1HG LYS 459 6.006 12.409 5.237 419 1HD LYS 459 2HD LYS 459 4.580 12.812 3.513 420 2HD LYS 459 1HD LYS 459 3.183 13.003 4.576 421 1HE LYS 459 2HE LYS 459 3.445 15.221 4.690 422 2HE LYS 459 1HE LYS 459 5.185 15.087 4.943 423 1HZ LYS 459 1HZ LYS 459 4.254 14.486 2.261 424 2HZ LYS 459 2HZ LYS 459 5.609 15.361 2.767 425 3HZ LYS 459 3HZ LYS 459 4.088 16.100 2.742 426 H ALA 460 H ALA 460 5.151 10.504 8.891 427 HA ALA 460 HA ALA 460 7.746 11.722 9.254 428 1HB ALA 460 1HB ALA 460 5.813 10.803 11.378 429 2HB ALA 460 2HB ALA 460 5.743 12.376 10.585 430 3HB ALA 460 3HB ALA 460 7.145 11.944 11.561 431 H GLY 461 H GLY 461 6.363 8.546 9.477 432 1HA GLY 461 2HA GLY 461 8.229 7.347 11.214 433 2HA GLY 461 1HA GLY 461 7.265 6.505 10.010 434 H VAL 462 H VAL 462 8.322 7.949 7.743 435 HA VAL 462 HA VAL 462 10.782 6.444 7.429 436 HB VAL 462 HB VAL 462 9.495 8.235 5.374 437 1HG1 VAL 462 1HG1 VAL 462 11.046 5.737 4.835 438 2HG1 VAL 462 2HG1 VAL 462 11.886 7.250 5.170 439 3HG1 VAL 462 3HG1 VAL 462 10.785 7.139 3.797 440 1HG2 VAL 462 1HG2 VAL 462 8.552 5.707 6.467 441 2HG2 VAL 462 2HG2 VAL 462 8.782 5.657 4.719 442 3HG2 VAL 462 3HG2 VAL 462 7.726 6.874 5.436 443 H GLN 463 H GLU 463 9.741 9.797 7.604 444 HA GLN 463 HA GLU 463 12.270 10.905 6.875 445 1HB GLN 463 2HB GLU 463 9.822 12.070 8.196 446 2HB GLN 463 1HB GLU 463 11.260 13.022 7.854 447 1HG GLN 463 2HG GLU 463 10.713 11.776 5.452 448 2HG GLN 463 1HG GLU 463 9.121 12.181 6.092 449 H LYS 464 H LYS 464 11.087 9.482 9.735 450 HA LYS 464 HA LYS 464 13.105 10.858 11.365 451 1HB LYS 464 2HB LYS 464 10.562 9.417 12.040 452 2HB LYS 464 1HB LYS 464 11.815 9.620 13.256 453 1HG LYS 464 2HG LYS 464 11.297 12.119 11.934 454 2HG LYS 464 1HG LYS 464 9.801 11.427 12.563 455 1HD LYS 464 2HD LYS 464 10.639 11.365 14.767 456 2HD LYS 464 1HD LYS 464 12.298 11.628 14.226 457 1HE LYS 464 2HE LYS 464 11.141 13.848 13.255 458 2HE LYS 464 1HE LYS 464 10.103 13.560 14.650 459 1HZ LYS 464 1HZ LYS 464 11.819 14.909 15.436 460 2HZ LYS 464 2HZ LYS 464 13.018 14.052 14.605 461 3HZ LYS 464 3HZ LYS 464 12.258 13.357 15.946 462 H TYR 465 H TYR 465 11.789 7.596 10.776 463 HA TYR 465 HA TYR 465 14.143 6.394 11.980 464 1HB TYR 465 2HB TYR 465 11.659 5.177 10.759 465 2HB TYR 465 1HB TYR 465 12.966 4.242 11.474 466 HD1 TYR 465 1HD TYR 465 13.320 4.242 13.889 467 HD2 TYR 465 2HD TYR 465 10.114 6.426 12.143 468 HE1 TYR 465 1HE TYR 465 12.267 4.455 16.101 469 HE2 TYR 465 2HE TYR 465 9.054 6.646 14.349 470 HH TYR 465 HH TYR 465 10.111 4.863 17.083 471 H GLY 466 H GLY 466 12.598 6.598 8.795 472 1HA GLY 466 2HA GLY 466 14.253 6.911 6.943 473 2HA GLY 466 1HA GLY 466 15.096 5.529 7.631 474 H GLU 467 H GLU 467 14.622 5.179 5.119 475 HA GLU 467 HA GLU 467 12.014 3.963 4.691 476 1HB GLU 467 2HB GLU 467 13.553 5.388 3.026 477 2HB GLU 467 1HB GLU 467 14.149 3.782 2.632 478 1HG GLU 467 2HG GLU 467 11.599 3.223 2.433 479 2HG GLU 467 1HG GLU 467 11.456 4.964 2.203 480 H GLY 468 H GLY 468 11.714 1.789 4.068 481 1HA GLY 468 2HA GLY 468 12.412 -0.440 3.716 482 2HA GLY 468 1HA GLY 468 13.983 -0.030 4.385 483 H ASN 469 H ASN 469 12.425 1.356 6.652 484 HA ASN 469 HA ASN 469 12.117 -1.087 8.241 485 1HB ASN 469 2HB ASN 469 13.368 1.402 8.744 486 2HB ASN 469 1HB ASN 469 11.984 1.308 9.829 487 1HD2 ASN 469 1HD2 ASN 469 15.109 0.122 9.083 488 2HD2 ASN 469 2HD2 ASN 469 15.270 -0.947 10.433 489 H TRP 470 H TRP 470 9.998 -1.453 7.241 490 HA TRP 470 HA TRP 470 7.871 0.383 7.965 491 1HB TRP 470 2HB TRP 470 7.558 -2.329 6.685 492 2HB TRP 470 1HB TRP 470 6.435 -0.978 6.637 493 HD1 TRP 470 HD TRP 470 8.201 -2.633 4.211 494 HE1 TRP 470 1HE TRP 470 9.218 -1.122 2.394 495 HE3 TRP 470 3HE TRP 470 8.046 1.838 6.690 496 HZ2 TRP 470 2HZ TRP 470 9.870 1.603 2.055 497 HZ3 TRP 470 3HZ TRP 470 8.889 3.846 5.548 498 HH2 TRP 470 HH TRP 470 9.780 3.730 3.278 499 H ALA 471 H ALA 471 9.177 -2.678 9.003 500 HA ALA 471 HA ALA 471 7.066 -3.674 10.512 501 1HB ALA 471 1HB ALA 471 8.750 -4.925 11.777 502 2HB ALA 471 2HB ALA 471 10.019 -3.920 11.079 503 3HB ALA 471 3HB ALA 471 9.064 -4.983 10.044 504 H ALA 472 H ALA 472 9.770 -1.643 11.635 505 HA ALA 472 HA ALA 472 8.910 -1.349 14.274 506 1HB ALA 472 1HB ALA 472 10.508 0.599 12.615 507 2HB ALA 472 2HB ALA 472 11.155 -0.732 13.577 508 3HB ALA 472 3HB ALA 472 10.360 0.625 14.372 509 H ILE 473 H ILE 473 8.207 0.622 11.417 510 HA ILE 473 HA ILE 473 6.787 2.670 12.681 511 HB ILE 473 HB ILE 473 6.328 1.558 9.910 512 1HG1 ILE 473 2HG1 ILE 473 8.068 3.879 10.763 513 2HG1 ILE 473 1HG1 ILE 473 8.681 2.264 10.421 514 1HG2 ILE 473 1HG2 ILE 473 5.362 3.702 9.376 515 2HG2 ILE 473 2HG2 ILE 473 5.691 4.295 11.003 516 3HG2 ILE 473 3HG2 ILE 473 4.510 3.009 10.754 517 1HD1 ILE 473 1HD1 ILE 473 7.966 4.405 8.609 518 2HD1 ILE 473 2HD1 ILE 473 7.206 2.873 8.179 519 3HD1 ILE 473 3HD1 ILE 473 8.960 2.975 8.337 520 H SER 474 H SER 474 5.695 -0.458 11.434 521 HA SER 474 HA SER 474 2.947 0.065 12.165 522 1HB SER 474 2HB SER 474 2.475 -2.132 11.271 523 2HB SER 474 1HB SER 474 3.570 -1.301 10.167 524 HG SER 474 HG SER 474 5.195 -2.595 10.771 525 H LYS 475 H LYS 475 5.597 -0.677 13.956 526 HA LYS 475 HA LYS 475 4.107 -2.400 15.812 527 1HB LYS 475 2HB LYS 475 6.805 -2.442 14.875 528 2HB LYS 475 1HB LYS 475 6.823 -2.158 16.610 529 1HG LYS 475 2HG LYS 475 5.917 -4.199 17.096 530 2HG LYS 475 1HG LYS 475 5.095 -4.329 15.541 531 1HD LYS 475 2HD LYS 475 6.769 -5.568 14.765 532 2HD LYS 475 1HD LYS 475 7.881 -4.221 15.027 533 1HE LYS 475 2HE LYS 475 8.873 -5.330 16.674 534 2HE LYS 475 1HE LYS 475 7.340 -5.464 17.537 535 1HZ LYS 475 1HZ LYS 475 8.651 -7.578 16.776 536 2HZ LYS 475 2HZ LYS 475 7.851 -7.302 15.312 537 3HZ LYS 475 3HZ LYS 475 6.960 -7.547 16.729 538 H ASN 476 H ASN 476 5.155 0.788 15.374 539 HA ASN 476 HA ASN 476 4.958 1.309 18.267 540 1HB ASN 476 2HB ASN 476 7.062 1.931 16.647 541 2HB ASN 476 1HB ASN 476 6.128 3.424 16.585 542 1HD2 ASN 476 1HD2 ASN 476 5.584 4.438 18.618 543 2HD2 ASN 476 2HD2 ASN 476 6.652 4.265 19.964 544 H TYR 477 H TYR 477 3.536 1.897 15.203 545 HA TYR 477 HA TYR 477 2.056 4.212 16.218 546 1HB TYR 477 2HB TYR 477 2.603 3.132 13.484 547 2HB TYR 477 1HB TYR 477 1.164 4.115 13.740 548 HD1 TYR 477 1HD TYR 477 4.730 4.126 13.282 549 HD2 TYR 477 2HD TYR 477 1.443 6.454 14.651 550 HE1 TYR 477 1HE TYR 477 6.094 6.164 13.078 551 HE2 TYR 477 2HE TYR 477 2.796 8.497 14.448 552 HH TYR 477 HH TYR 477 5.665 8.641 12.756 553 HA PRO 478 HA PRO 478 -1.725 2.030 16.759 554 1HB PRO 478 2HB PRO 478 -3.330 4.060 15.427 555 2HB PRO 478 1HB PRO 478 -3.175 3.723 17.152 556 1HG PRO 478 2HG PRO 478 -2.203 5.977 15.986 557 2HG PRO 478 1HG PRO 478 -1.482 5.241 17.429 558 1HD PRO 478 2HD PRO 478 -0.607 5.061 14.569 559 2HD PRO 478 1HD PRO 478 0.374 5.262 16.038 560 H PHE 479 H PHE 479 -0.551 0.872 14.616 561 HA PHE 479 HA PHE 479 -2.415 0.903 12.383 562 1HB PHE 479 2HB PHE 479 0.247 -0.415 12.866 563 2HB PHE 479 1HB PHE 479 -0.768 -0.885 11.506 564 HD1 PHE 479 1HD PHE 479 1.450 1.631 12.869 565 HD2 PHE 479 2HD PHE 479 -1.283 0.745 9.730 566 HE1 PHE 479 1HE PHE 479 2.347 3.514 11.562 567 HE2 PHE 479 2HE PHE 479 -0.391 2.623 8.416 568 HZ PHE 479 HZ PHE 479 1.425 4.011 9.334 569 H VAL 480 H VAL 480 -3.525 -0.963 11.644 570 HA VAL 480 HA VAL 480 -3.962 -2.986 13.743 571 HB VAL 480 HB VAL 480 -5.973 -2.135 11.658 572 1HG1 VAL 480 1HG1 VAL 480 -7.555 -3.392 12.921 573 2HG1 VAL 480 2HG1 VAL 480 -6.389 -3.671 14.215 574 3HG1 VAL 480 3HG1 VAL 480 -6.158 -4.432 12.640 575 1HG2 VAL 480 1HG2 VAL 480 -6.066 -0.240 12.881 576 2HG2 VAL 480 2HG2 VAL 480 -5.296 -0.981 14.284 577 3HG2 VAL 480 3HG2 VAL 480 -7.013 -1.245 13.979 578 H ASN 481 H ASN 481 -4.694 -2.697 10.262 579 HA ASN 481 HA ASN 481 -3.375 -5.301 9.872 580 1HB ASN 481 2HB ASN 481 -6.107 -4.460 9.218 581 2HB ASN 481 1HB ASN 481 -5.257 -5.194 7.864 582 1HD2 ASN 481 1HD2 ASN 481 -6.794 -5.708 10.869 583 2HD2 ASN 481 2HD2 ASN 481 -6.591 -7.422 10.939 584 H ARG 482 H ARG 482 -1.565 -3.744 9.416 585 HA ARG 482 HA ARG 482 -1.534 -3.173 6.543 586 1HB ARG 482 2HB ARG 482 -1.737 -1.161 8.478 587 2HB ARG 482 1HB ARG 482 -0.043 -1.160 8.008 588 1HG ARG 482 2HG ARG 482 -1.243 0.398 6.639 589 2HG ARG 482 1HG ARG 482 -0.733 -0.969 5.644 590 1HD ARG 482 2HD ARG 482 -2.977 -0.462 5.044 591 2HD ARG 482 1HD ARG 482 -3.015 -1.949 5.989 592 HE ARG 482 HE ARG 482 -3.429 0.403 7.575 593 1HH1 ARG 482 1HH1 ARG 482 -4.984 -1.950 5.520 594 2HH1 ARG 482 2HH1 ARG 482 -6.549 -1.716 6.226 595 1HH2 ARG 482 1HH2 ARG 482 -5.486 0.711 8.503 596 2HH2 ARG 482 2HH2 ARG 482 -6.833 -0.205 7.918 597 H THR 483 H THR 483 -0.195 -4.927 6.197 598 HA THR 483 HA THR 483 2.163 -5.412 7.720 599 HB THR 483 HB THR 483 2.648 -6.797 5.474 600 HG1 THR 483 1HG THR 483 1.048 -6.475 4.155 601 1HG2 THR 483 1HG2 THR 483 2.380 -8.249 7.158 602 2HG2 THR 483 2HG2 THR 483 0.769 -8.441 6.465 603 3HG2 THR 483 3HG2 THR 483 1.014 -7.372 7.845 604 H ALA 484 H ALA 484 4.329 -5.623 6.501 605 HA ALA 484 HA ALA 484 5.173 -3.026 5.782 606 1HB ALA 484 1HB ALA 484 6.668 -4.672 6.823 607 2HB ALA 484 2HB ALA 484 7.340 -4.029 5.326 608 3HB ALA 484 3HB ALA 484 6.622 -5.640 5.348 609 H VAL 485 H VAL 485 3.855 -5.606 3.925 610 HA VAL 485 HA VAL 485 4.974 -4.891 1.404 611 HB VAL 485 HB VAL 485 2.425 -6.419 1.947 612 1HG1 VAL 485 1HG1 VAL 485 4.133 -6.052 -0.493 613 2HG1 VAL 485 2HG1 VAL 485 2.391 -5.830 -0.316 614 3HG1 VAL 485 3HG1 VAL 485 3.080 -7.455 -0.305 615 1HG2 VAL 485 1HG2 VAL 485 4.320 -8.265 1.250 616 2HG2 VAL 485 2HG2 VAL 485 3.801 -7.912 2.898 617 3HG2 VAL 485 3HG2 VAL 485 5.246 -7.140 2.245 618 H MET 486 H MET 486 1.984 -4.067 3.099 619 HA MET 486 HA MET 486 0.816 -2.650 0.924 620 1HB MET 486 2HB MET 486 0.266 -2.756 3.877 621 2HB MET 486 1HB MET 486 -0.599 -1.638 2.834 622 1HG MET 486 2HG MET 486 -1.687 -3.329 1.697 623 2HG MET 486 1HG MET 486 -0.494 -4.543 2.156 624 1HE MET 486 1HE MET 486 -3.686 -4.579 2.155 625 2HE MET 486 2HE MET 486 -4.200 -5.276 3.692 626 3HE MET 486 3HE MET 486 -2.958 -6.079 2.730 627 H ILE 487 H ILE 487 2.785 -1.698 3.696 628 HA ILE 487 HA ILE 487 2.575 1.100 3.239 629 HB ILE 487 HB ILE 487 4.715 -0.408 4.745 630 1HG1 ILE 487 2HG1 ILE 487 2.621 1.043 6.223 631 2HG1 ILE 487 1HG1 ILE 487 2.041 -0.355 5.321 632 1HG2 ILE 487 1HG2 ILE 487 5.687 1.627 4.671 633 2HG2 ILE 487 2HG2 ILE 487 4.540 1.986 5.961 634 3HG2 ILE 487 3HG2 ILE 487 4.176 2.454 4.300 635 1HD1 ILE 487 1HD1 ILE 487 2.546 -1.126 7.481 636 2HD1 ILE 487 2HD1 ILE 487 4.092 -0.279 7.508 637 3HD1 ILE 487 3HD1 ILE 487 3.870 -1.675 6.455 638 H LYS 488 H LYS 488 4.508 -1.397 1.841 639 HA LYS 488 HA LYS 488 6.605 0.318 0.900 640 1HB LYS 488 2HB LYS 488 6.930 -2.108 1.277 641 2HB LYS 488 1HB LYS 488 5.815 -2.446 -0.040 642 1HG LYS 488 2HG LYS 488 8.007 -2.694 -0.895 643 2HG LYS 488 1HG LYS 488 7.361 -1.188 -1.554 644 1HD LYS 488 2HD LYS 488 8.529 -0.200 0.627 645 2HD LYS 488 1HD LYS 488 9.541 -1.630 0.414 646 1HE LYS 488 2HE LYS 488 10.629 -0.696 -1.287 647 2HE LYS 488 1HE LYS 488 9.121 -0.284 -2.101 648 1HZ LYS 488 1HZ LYS 488 8.988 1.744 -0.907 649 2HZ LYS 488 2HZ LYS 488 10.564 1.644 -1.517 650 3HZ LYS 488 3HZ LYS 488 10.268 1.317 0.114 651 H ASP 489 H ASP 489 3.574 -0.917 -0.376 652 HA ASP 489 HA ASP 489 3.971 -0.110 -3.061 653 1HB ASP 489 2HB ASP 489 1.705 -1.065 -1.417 654 2HB ASP 489 1HB ASP 489 1.272 -0.097 -2.824 655 H ARG 490 H ARG 490 2.279 1.415 -0.333 656 HA ARG 490 HA ARG 490 1.347 3.674 -1.674 657 1HB ARG 490 2HB ARG 490 0.879 2.825 0.737 658 2HB ARG 490 1HB ARG 490 2.271 3.803 1.179 659 1HG ARG 490 2HG ARG 490 1.068 5.665 1.140 660 2HG ARG 490 1HG ARG 490 0.456 5.306 -0.475 661 1HD ARG 490 2HD ARG 490 -1.389 4.147 0.349 662 2HD ARG 490 1HD ARG 490 -0.650 3.908 1.931 663 HE ARG 490 HE ARG 490 -1.415 5.975 2.572 664 1HH1 ARG 490 1HH1 ARG 490 -1.742 5.651 -0.888 665 2HH1 ARG 490 2HH1 ARG 490 -2.675 7.097 -1.062 666 1HH2 ARG 490 1HH2 ARG 490 -2.650 7.878 2.343 667 2HH2 ARG 490 2HH2 ARG 490 -3.192 8.362 0.772 668 H TRP 491 H TRP 491 4.346 3.293 0.219 669 HA TRP 491 HA TRP 491 5.369 5.848 -0.176 670 1HB TRP 491 2HB TRP 491 6.218 3.835 1.284 671 2HB TRP 491 1HB TRP 491 7.212 3.489 -0.128 672 HD1 TRP 491 HD TRP 491 9.558 4.437 0.189 673 HE1 TRP 491 1HE TRP 491 10.576 6.547 1.251 674 HE3 TRP 491 3HE TRP 491 5.270 6.646 1.886 675 HZ2 TRP 491 2HZ TRP 491 9.683 8.845 2.626 676 HZ3 TRP 491 3HZ TRP 491 5.440 8.798 3.065 677 HH2 TRP 491 HH TRP 491 7.601 9.874 3.428 678 H ARG 492 H ARG 492 5.241 3.128 -2.334 679 HA ARG 492 HA ARG 492 7.190 4.181 -4.174 680 1HB ARG 492 2HB ARG 492 6.309 1.687 -3.724 681 2HB ARG 492 1HB ARG 492 5.251 2.116 -5.060 682 1HG ARG 492 2HG ARG 492 7.487 2.885 -6.183 683 2HG ARG 492 1HG ARG 492 8.207 1.778 -5.013 684 1HD ARG 492 2HD ARG 492 6.321 0.162 -5.900 685 2HD ARG 492 1HD ARG 492 6.407 1.210 -7.315 686 HE ARG 492 HE ARG 492 8.364 -0.712 -6.453 687 1HH1 ARG 492 1HH1 ARG 492 7.830 2.195 -8.309 688 2HH1 ARG 492 2HH1 ARG 492 9.210 1.948 -9.326 689 1HH2 ARG 492 1HH2 ARG 492 10.178 -1.039 -7.791 690 2HH2 ARG 492 2HH2 ARG 492 10.541 0.111 -9.034 691 H THR 493 H THR 493 3.758 4.425 -3.705 692 HA THR 493 HA THR 493 3.196 5.330 -6.374 693 HB THR 493 HB THR 493 1.610 4.179 -4.628 694 HG1 THR 493 1HG THR 493 0.089 4.690 -5.998 695 1HG2 THR 493 1HG2 THR 493 1.927 6.464 -3.202 696 2HG2 THR 493 2HG2 THR 493 0.539 5.385 -3.088 697 3HG2 THR 493 3HG2 THR 493 0.459 6.817 -4.115 698 H MET 494 H MET 494 4.068 6.803 -3.346 699 HA MET 494 HA MET 494 3.356 9.471 -4.219 700 1HB MET 494 2HB MET 494 3.676 8.276 -1.747 701 2HB MET 494 1HB MET 494 5.112 9.281 -1.889 702 1HG MET 494 2HG MET 494 3.959 11.182 -1.657 703 2HG MET 494 1HG MET 494 2.627 10.616 -2.662 704 1HE MET 494 1HE MET 494 2.856 10.740 1.849 705 2HE MET 494 2HE MET 494 3.640 11.762 0.645 706 3HE MET 494 3HE MET 494 4.261 10.141 0.965 707 H LYS 495 H LYS 495 6.225 7.472 -3.963 708 HA LYS 495 HA LYS 495 8.035 9.633 -4.556 709 1HB LYS 495 2HB LYS 495 8.413 7.323 -3.280 710 2HB LYS 495 1HB LYS 495 8.857 6.792 -4.897 711 1HG LYS 495 2HG LYS 495 10.827 7.816 -4.791 712 2HG LYS 495 1HG LYS 495 10.103 9.315 -4.201 713 1HD LYS 495 2HD LYS 495 10.541 8.823 -2.042 714 2HD LYS 495 1HD LYS 495 10.195 7.106 -2.257 715 1HE LYS 495 2HE LYS 495 12.355 6.616 -2.519 716 2HE LYS 495 1HE LYS 495 12.582 7.915 -3.689 717 1HZ LYS 495 1HZ LYS 495 12.728 9.466 -1.784 718 2HZ LYS 495 2HZ LYS 495 13.975 8.324 -1.814 719 3HZ LYS 495 3HZ LYS 495 12.687 8.142 -0.732 720 H ARG 496 H ARG 496 6.251 7.249 -6.343 721 HA ARG 496 HA ARG 496 7.805 7.514 -8.751 722 1HB ARG 496 2HB ARG 496 6.591 5.432 -8.217 723 2HB ARG 496 1HB ARG 496 5.066 6.300 -8.340 724 1HG ARG 496 2HG ARG 496 5.101 5.454 -10.425 725 2HG ARG 496 1HG ARG 496 6.083 6.885 -10.740 726 1HD ARG 496 2HD ARG 496 7.734 5.562 -11.415 727 2HD ARG 496 1HD ARG 496 7.838 4.901 -9.788 728 HE ARG 496 HE ARG 496 5.814 3.492 -10.891 729 1HH1 ARG 496 1HH1 ARG 496 9.078 4.170 -11.917 730 2HH1 ARG 496 2HH1 ARG 496 9.247 2.684 -12.790 731 1HH2 ARG 496 1HH2 ARG 496 6.033 1.536 -12.038 732 2HH2 ARG 496 2HH2 ARG 496 7.518 1.189 -12.860 733 H LEU 497 H LEU 497 4.837 8.871 -7.452 734 HA LEU 497 HA LEU 497 4.904 10.904 -9.551 735 1HB LEU 497 2HB LEU 497 2.902 8.828 -9.302 736 2HB LEU 497 1HB LEU 497 2.178 10.418 -9.143 737 HG LEU 497 HG LEU 497 4.042 10.179 -11.400 738 1HD1 LEU 497 1HD1 LEU 497 1.477 8.594 -11.381 739 2HD1 LEU 497 2HD1 LEU 497 3.110 7.938 -11.476 740 3HD1 LEU 497 3HD1 LEU 497 2.476 8.917 -12.799 741 1HD2 LEU 497 1HD2 LEU 497 2.865 12.110 -11.550 742 2HD2 LEU 497 2HD2 LEU 497 1.454 11.447 -10.728 743 3HD2 LEU 497 3HD2 LEU 497 1.744 11.066 -12.425 744 H GLY 498 H GLY 498 5.734 12.185 -7.790 745 1HA GLY 498 2HA GLY 498 3.985 13.943 -6.654 746 2HA GLY 498 1HA GLY 498 4.109 12.655 -5.466 747 H MET 499 H MET 499 6.468 12.013 -4.982 748 HA MET 499 HA MET 499 7.809 14.410 -4.118 749 1HB MET 499 2HB MET 499 8.481 11.485 -3.791 750 2HB MET 499 1HB MET 499 9.434 12.790 -3.101 751 1HG MET 499 2HG MET 499 6.818 13.311 -2.300 752 2HG MET 499 1HG MET 499 7.011 11.566 -2.139 753 1HE MET 499 1HE MET 499 6.742 14.421 -0.546 754 2HE MET 499 2HE MET 499 8.345 15.104 -0.279 755 3HE MET 499 3HE MET 499 7.542 14.206 1.010 756 H ASN 500 H ASN 500 7.812 12.800 -6.995 757 HA ASN 500 HA ASN 500 10.516 13.768 -7.622 758 1HB ASN 500 2HB ASN 500 9.626 11.053 -7.670 759 2HB ASN 500 1HB ASN 500 9.923 11.565 -9.329 760 1HD2 ASN 500 1HD2 ASN 500 11.974 11.879 -10.015 761 2HD2 ASN 500 2HD2 ASN 500 13.373 11.588 -9.045 Start of MODEL 10 1 2H5* G 1 H5' GUA 1 8.935 -15.076 11.111 2 H4* G 1 H4' GUA 1 10.704 -13.263 11.575 3 H3* G 1 H3' GUA 1 8.263 -12.976 10.535 4 H1* G 1 H1' GUA 1 11.321 -11.750 8.410 5 H8 G 1 8H GUA 1 9.547 -14.883 7.083 6 H1 G 1 1H GUA 1 14.902 -13.218 3.972 7 1H2 G 1 1H2 GUA 1 15.261 -10.847 6.465 8 2H2 G 1 2H2 GUA 1 15.902 -11.559 5.002 9 2H2* G 1 H2' GUA 1 8.958 -11.628 8.288 10 H5T G 1 H5T GUA 1 10.469 -16.450 9.479 11 2H5* T 2 H5' THY 2 11.099 -8.800 10.654 12 H4* T 2 H4' THY 2 12.519 -7.759 9.212 13 H3* T 2 H3' THY 2 10.008 -6.778 9.032 14 2H2* T 2 H2' THY 2 9.949 -6.547 6.334 15 H1* T 2 H1' THY 2 12.038 -7.606 5.839 16 H3 T 2 3H THY 2 11.457 -10.525 2.528 17 1H5M T 2 1H7 THY 2 8.087 -12.763 4.634 18 2H5M T 2 2H7 THY 2 7.448 -11.523 5.737 19 3H5M T 2 3H7 THY 2 8.664 -12.686 6.317 20 H6 T 2 6H THY 2 9.419 -10.046 6.814 21 2H5* T 3 H5' THY 3 13.535 -4.294 6.264 22 H4* T 3 H4' THY 3 14.313 -4.377 4.128 23 H3* T 3 H3' THY 3 12.141 -2.778 4.337 24 2H2* T 3 H2' THY 3 10.959 -3.546 2.028 25 H1* T 3 H1' THY 3 12.475 -5.312 1.445 26 H3 T 3 3H THY 3 10.232 -8.978 0.266 27 1H5M T 3 1H7 THY 3 8.639 -8.119 5.198 28 2H5M T 3 2H7 THY 3 7.642 -9.005 4.022 29 3H5M T 3 3H7 THY 3 7.429 -7.250 4.226 30 H6 T 3 6H THY 3 10.045 -6.161 4.109 31 2H5* A 4 H5' ADE 4 14.458 -2.053 -0.449 32 H4* A 4 H4' ADE 4 14.307 -3.342 -2.379 33 H3* A 4 H3' ADE 4 12.545 -1.291 -2.178 34 H1* A 4 H1' ADE 4 11.442 -4.783 -3.400 35 H8 A 4 8H ADE 4 10.206 -4.052 0.211 36 1H6 A 4 1H6 ADE 4 7.264 -7.901 0.614 37 2H6 A 4 2H6 ADE 4 6.889 -9.239 -0.449 38 H2 A 4 2H ADE 4 9.310 -8.651 -4.176 39 2H2* A 4 H2' ADE 4 10.434 -2.611 -3.243 40 2H5* G 5 H5' GUA 5 13.053 -3.323 -6.820 41 H4* G 5 H4' GUA 5 12.044 -4.936 -8.043 42 H3* G 5 H3' GUA 5 10.800 -2.576 -8.423 43 H1* G 5 H1' GUA 5 8.725 -5.779 -7.733 44 H8 G 5 8H GUA 5 9.022 -3.487 -4.616 45 H1 G 5 1H GUA 5 4.815 -8.309 -4.202 46 1H2 G 5 1H2 GUA 5 5.901 -9.133 -7.382 47 2H2 G 5 2H2 GUA 5 4.845 -9.511 -6.039 48 2H2* G 5 H2' GUA 5 8.263 -3.513 -8.342 49 2H5* G 6 H5' GUA 6 9.153 -6.256 -11.448 50 H4* G 6 H4' GUA 6 7.375 -7.613 -11.679 51 H3* G 6 H3' GUA 6 6.757 -5.197 -12.699 52 H1* G 6 H1' GUA 6 4.280 -7.010 -10.337 53 H8 G 6 8H GUA 6 6.089 -4.036 -8.637 54 H1 G 6 1H GUA 6 1.490 -6.890 -5.196 55 1H2 G 6 1H2 GUA 6 1.255 -9.069 -7.873 56 2H2 G 6 2H2 GUA 6 0.677 -8.611 -6.286 57 2H2* G 6 H2' GUA 6 4.252 -5.037 -11.690 58 2H5* G 7 H5' GUA 7 3.193 -8.766 -14.246 59 H4* G 7 H4' GUA 7 1.274 -9.644 -13.274 60 H3* G 7 H3' GUA 7 0.886 -7.570 -14.942 61 H1* G 7 H1' GUA 7 -0.866 -7.596 -11.471 62 H8 G 7 8H GUA 7 2.251 -5.286 -11.598 63 H1 G 7 1H GUA 7 -1.457 -4.768 -6.390 64 1H2 G 7 1H2 GUA 7 -3.332 -7.290 -7.838 65 2H2 G 7 2H2 GUA 7 -3.119 -6.199 -6.489 66 2H2* G 7 H2' GUA 7 -0.943 -6.255 -13.440 67 2H5* T 8 H5' THY 8 -3.340 -9.714 -13.150 68 H4* T 8 H4' THY 8 -4.809 -9.374 -11.419 69 H3* T 8 H3' THY 8 -5.553 -8.161 -13.714 70 2H2* T 8 H2' THY 8 -6.418 -5.851 -12.597 71 H1* T 8 H1' THY 8 -5.727 -6.266 -10.343 72 H3 T 8 3H THY 8 -3.721 -2.587 -8.839 73 1H5M T 8 1H7 THY 8 -0.184 -4.163 -12.137 74 2H5M T 8 2H7 THY 8 -1.307 -3.681 -13.429 75 3H5M T 8 3H7 THY 8 -0.700 -2.467 -12.279 76 H6 T 8 6H THY 8 -2.791 -5.518 -12.485 77 2H5* T 9 H5' THY 9 -9.373 -8.708 -10.278 78 H4* T 9 H4' THY 9 -10.124 -7.466 -8.529 79 H3* T 9 H3' THY 9 -11.411 -6.818 -10.815 80 2H2* T 9 H2' THY 9 -11.455 -4.144 -10.405 81 H1* T 9 H1' THY 9 -10.097 -4.062 -8.434 82 H3 T 9 3H THY 9 -7.096 -0.808 -8.932 83 1H5M T 9 1H7 THY 9 -5.145 -3.792 -12.355 84 2H5M T 9 2H7 THY 9 -6.673 -3.983 -13.248 85 3H5M T 9 3H7 THY 9 -5.897 -2.384 -13.143 86 H6 T 9 6H THY 9 -8.063 -4.733 -11.463 87 2H5* A 10 H5' ADE 10 -13.592 -4.144 -6.840 88 H4* A 10 H4' ADE 10 -13.307 -1.980 -6.108 89 H3* A 10 H3' ADE 10 -15.012 -2.246 -8.233 90 H1* A 10 H1' ADE 10 -12.435 0.599 -7.923 91 H8 A 10 8H ADE 10 -11.567 -1.854 -10.798 92 1H6 A 10 1H6 ADE 10 -7.838 0.668 -12.633 93 2H6 A 10 2H6 ADE 10 -7.038 2.147 -12.147 94 H2 A 10 2H ADE 10 -9.119 3.595 -8.448 95 2H2* A 10 H2' ADE 10 -14.293 0.118 -9.370 96 2H5* G 11 H5' GUA 11 -15.823 2.136 -5.415 97 H4* G 11 H4' GUA 11 -14.678 4.113 -5.508 98 H3* G 11 H3' GUA 11 -16.877 4.099 -7.091 99 H1* G 11 H1' GUA 11 -13.514 5.531 -8.327 100 H8 G 11 8H GUA 11 -14.237 2.032 -9.846 101 H1 G 11 1H GUA 11 -9.413 5.333 -12.485 102 1H2 G 11 1H2 GUA 11 -10.159 7.741 -10.113 103 2H2 G 11 2H2 GUA 11 -9.149 7.255 -11.457 104 2H2* G 11 H2' GUA 11 -15.765 5.459 -9.152 105 2H5* G 12 H5' GUA 12 -15.394 9.064 -5.921 106 H4* G 12 H4' GUA 12 -13.565 10.238 -6.796 107 H3* G 12 H3' GUA 12 -16.005 10.899 -7.727 108 H1* G 12 H1' GUA 12 -13.061 10.369 -10.189 109 H8 G 12 8H GUA 12 -15.344 7.237 -9.983 110 H1 G 12 1H GUA 12 -11.346 7.521 -14.991 111 1H2 G 12 1H2 GUA 12 -10.338 10.539 -13.636 112 2H2 G 12 2H2 GUA 12 -10.156 9.362 -14.918 113 2H2* G 12 H2' GUA 12 -15.327 11.132 -10.335 114 2H5* G 13 H5' GUA 13 -12.553 14.675 -9.140 115 H4* G 13 H4' GUA 13 -10.984 14.796 -10.915 116 H3* G 13 H3' GUA 13 -13.297 16.144 -11.132 117 H1* G 13 H1' GUA 13 -12.079 13.951 -14.099 118 H8 G 13 8H GUA 13 -14.742 12.157 -11.919 119 H1 G 13 1H GUA 13 -13.583 9.586 -17.680 120 1H2 G 13 1H2 GUA 13 -11.296 12.160 -18.036 121 2H2 G 13 2H2 GUA 13 -12.046 10.744 -18.738 122 H3T G 13 H3T GUA 13 -10.921 16.236 -12.189 123 2H2* G 13 H2' GUA 13 -13.846 15.509 -13.702 124 2H5* C 14 H5' CYT 14 -11.673 6.027 -25.682 125 H4* C 14 H4' CYT 14 -10.581 8.216 -25.007 126 H3* C 14 H3' CYT 14 -9.867 5.732 -24.266 127 H1* C 14 H1' CYT 14 -10.484 8.444 -21.547 128 1H4 C 14 1H4 CYT 14 -16.070 6.559 -18.516 129 2H4 C 14 2H4 CYT 14 -15.443 7.946 -17.654 130 H5 C 14 5H CYT 14 -15.007 5.647 -20.492 131 H6 C 14 6H CYT 14 -13.131 5.879 -22.036 132 2H2* C 14 H2' CYT 14 -9.650 6.208 -21.611 133 H5T C 14 H5T CYT 14 -13.270 6.816 -23.478 134 2H5* C 15 H5' CYT 15 -6.429 9.247 -22.542 135 H4* C 15 H4' CYT 15 -6.230 10.457 -20.605 136 H3* C 15 H3' CYT 15 -4.934 8.105 -20.513 137 H1* C 15 H1' CYT 15 -7.211 9.156 -17.543 138 1H4 C 15 1H4 CYT 15 -12.438 5.090 -17.880 139 2H4 C 15 2H4 CYT 15 -12.530 5.950 -16.360 140 H5 C 15 5H CYT 15 -10.668 5.456 -19.492 141 H6 C 15 6H CYT 15 -8.632 6.715 -19.969 142 2H2* C 15 H2' CYT 15 -5.667 7.397 -18.005 143 2H5* C 16 H5' CYT 16 -4.182 11.258 -16.784 144 H4* C 16 H4' CYT 16 -4.742 11.595 -14.645 145 H3* C 16 H3' CYT 16 -2.635 9.947 -14.642 146 H1* C 16 H1' CYT 16 -5.786 8.938 -12.547 147 1H4 C 16 1H4 CYT 16 -8.453 3.956 -16.016 148 2H4 C 16 2H4 CYT 16 -9.267 4.024 -14.469 149 H5 C 16 5H CYT 16 -6.698 5.505 -16.649 150 H6 C 16 6H CYT 16 -5.374 7.420 -15.924 151 2H2* C 16 H2' CYT 16 -3.567 8.158 -12.827 152 2H5* T 17 H5' THY 17 -4.159 11.626 -10.071 153 H4* T 17 H4' THY 17 -5.597 10.797 -8.538 154 H3* T 17 H3' THY 17 -3.091 9.922 -8.021 155 2H2* T 17 H2' THY 17 -3.779 7.389 -7.353 156 H1* T 17 H1' THY 17 -6.103 7.496 -7.922 157 H3 T 17 3H THY 17 -7.210 3.902 -10.312 158 1H5M T 17 1H7 THY 17 -4.073 6.057 -13.636 159 2H5M T 17 2H7 THY 17 -2.731 5.765 -12.505 160 3H5M T 17 3H7 THY 17 -3.647 4.392 -13.170 161 H6 T 17 6H THY 17 -3.892 7.279 -10.889 162 2H5* A 18 H5' ADE 18 -6.374 8.550 -4.398 163 H4* A 18 H4' ADE 18 -7.067 6.891 -3.064 164 H3* A 18 H3' ADE 18 -4.407 6.929 -2.914 165 H1* A 18 H1' ADE 18 -6.113 3.473 -3.850 166 H8 A 18 8H ADE 18 -4.142 5.292 -6.597 167 1H6 A 18 1H6 ADE 18 -5.085 2.208 -10.227 168 2H6 A 18 2H6 ADE 18 -6.114 0.799 -10.370 169 H2 A 18 2H ADE 18 -8.156 0.287 -6.408 170 2H2* A 18 H2' ADE 18 -3.999 4.244 -3.208 171 2H5* A 19 H5' ADE 19 -6.978 3.364 -0.329 172 H4* A 19 H4' ADE 19 -7.845 1.395 -1.167 173 H3* A 19 H3' ADE 19 -5.554 1.117 0.283 174 H1* A 19 H1' ADE 19 -6.172 -0.799 -3.009 175 H8 A 19 8H ADE 19 -3.542 2.032 -3.452 176 1H6 A 19 1H6 ADE 19 -2.029 0.738 -7.889 177 2H6 A 19 2H6 ADE 19 -2.504 -0.534 -8.993 178 H2 A 19 2H ADE 19 -5.784 -2.838 -6.983 179 2H2* A 19 H2' ADE 19 -4.531 -0.870 -1.257 180 2H5* C 20 H5' CYT 20 -7.965 -3.509 -0.127 181 H4* C 20 H4' CYT 20 -7.816 -5.386 -1.448 182 H3* C 20 H3' CYT 20 -6.065 -5.362 0.590 183 H1* C 20 H1' CYT 20 -4.830 -6.276 -2.984 184 1H4 C 20 1H4 CYT 20 -1.145 -1.102 -4.882 185 2H4 C 20 2H4 CYT 20 -0.850 -2.408 -6.008 186 H5 C 20 5H CYT 20 -2.675 -1.296 -3.013 187 H6 C 20 6H CYT 20 -4.225 -2.778 -1.853 188 2H2* C 20 H2' CYT 20 -3.919 -6.280 -0.781 189 2H5* C 21 H5' CYT 21 -6.546 -9.960 -1.734 190 H4* C 21 H4' CYT 21 -5.448 -10.883 -3.486 191 H3* C 21 H3' CYT 21 -4.223 -11.516 -1.170 192 H1* C 21 H1' CYT 21 -2.148 -10.290 -4.205 193 1H4 C 21 1H4 CYT 21 0.108 -4.295 -2.499 194 2H4 C 21 2H4 CYT 21 0.884 -4.746 -4.000 195 H5 C 21 5H CYT 21 -1.522 -5.698 -1.384 196 H6 C 21 6H CYT 21 -2.731 -7.815 -1.486 197 2H2* C 21 H2' CYT 21 -1.680 -11.183 -2.036 198 2H5* C 22 H5' CYT 22 -2.267 -14.025 -5.149 199 H4* C 22 H4' CYT 22 -0.436 -14.064 -6.498 200 H3* C 22 H3' CYT 22 0.049 -15.286 -4.156 201 H1* C 22 H1' CYT 22 2.607 -12.699 -5.524 202 1H4 C 22 1H4 CYT 22 2.053 -7.454 -1.507 203 2H4 C 22 2H4 CYT 22 3.447 -7.193 -2.532 204 H5 C 22 5H CYT 22 0.647 -9.420 -1.672 205 H6 C 22 6H CYT 22 0.297 -11.528 -2.850 206 2H2* C 22 H2' CYT 22 2.507 -14.244 -3.708 207 2H5* T 23 H5' THY 23 3.634 -15.588 -7.590 208 H4* T 23 H4' THY 23 5.625 -14.690 -8.120 209 H3* T 23 H3' THY 23 6.034 -16.678 -6.354 210 2H2* T 23 H2' THY 23 7.854 -15.405 -4.811 211 H1* T 23 H1' THY 23 7.766 -13.247 -5.842 212 H3 T 23 3H THY 23 7.457 -10.144 -2.664 213 1H5M T 23 1H7 THY 23 3.295 -13.532 -2.022 214 2H5M T 23 2H7 THY 23 3.060 -11.799 -1.693 215 3H5M T 23 3H7 THY 23 4.061 -12.785 -0.600 216 H6 T 23 6H THY 23 4.743 -13.901 -3.791 217 2H5* A 24 H5' ADE 24 10.494 -15.158 -8.665 218 H4* A 24 H4' ADE 24 11.930 -13.442 -8.170 219 H3* A 24 H3' ADE 24 12.661 -15.777 -7.049 220 H1* A 24 H1' ADE 24 12.656 -12.532 -4.922 221 H8 A 24 8H ADE 24 9.642 -14.854 -4.136 222 1H6 A 24 1H6 ADE 24 8.023 -12.424 -0.251 223 2H6 A 24 2H6 ADE 24 8.533 -10.949 0.539 224 H2 A 24 2H ADE 24 12.063 -9.404 -1.759 225 2H2* A 24 H2' ADE 24 13.361 -14.797 -4.628 226 2H5* A 25 H5' ADE 25 16.557 -12.250 -6.830 227 H4* A 25 H4' ADE 25 16.970 -10.545 -5.330 228 H3* A 25 H3' ADE 25 18.287 -12.835 -4.802 229 H1* A 25 H1' ADE 25 16.461 -10.939 -1.952 230 H8 A 25 8H ADE 25 14.484 -14.059 -3.166 231 1H6 A 25 1H6 ADE 25 11.224 -14.124 0.441 232 2H6 A 25 2H6 ADE 25 10.950 -13.091 1.827 233 H2 A 25 2H ADE 25 14.060 -9.864 1.675 234 2H2* A 25 H2' ADE 25 17.931 -12.818 -2.118 235 2H5* C 26 H5' CYT 26 20.152 -8.819 -2.040 236 H4* C 26 H4' CYT 26 19.474 -7.892 -0.026 237 H3* C 26 H3' CYT 26 21.559 -9.574 0.136 238 H1* C 26 H1' CYT 26 18.600 -9.972 2.634 239 1H4 C 26 1H4 CYT 26 15.518 -15.526 0.738 240 2H4 C 26 2H4 CYT 26 14.898 -15.085 2.315 241 H5 C 26 5H CYT 26 17.195 -14.225 -0.428 242 H6 C 26 6H CYT 26 18.612 -12.243 -0.318 243 H3T C 26 H3T CYT 26 20.185 -8.122 2.137 244 2H2* C 26 H2' CYT 26 20.770 -10.922 2.347 245 1H GLU 438 H GLU 438 -33.512 -3.119 2.483 246 HA GLU 438 HA GLU 438 -32.382 -4.108 -0.053 247 1HB GLU 438 2HB GLU 438 -31.612 -1.863 1.603 248 2HB GLU 438 1HB GLU 438 -30.283 -3.002 1.440 249 1HG GLU 438 2HG GLU 438 -30.914 -2.903 -1.098 250 2HG GLU 438 1HG GLU 438 -31.650 -1.371 -0.637 251 H ASP 439 H ASP 439 -31.529 -6.075 0.037 252 HA ASP 439 HA ASP 439 -30.851 -7.186 2.678 253 1HB ASP 439 2HB ASP 439 -32.279 -8.261 0.368 254 2HB ASP 439 1HB ASP 439 -30.994 -9.330 0.925 255 H SER 440 H SER 440 -28.830 -7.849 3.082 256 HA SER 440 HA SER 440 -26.974 -8.176 0.831 257 1HB SER 440 2HB SER 440 -26.844 -6.183 2.989 258 2HB SER 440 1HB SER 440 -25.351 -7.095 2.762 259 HG SER 440 HG SER 440 -25.012 -5.844 1.121 260 H THR 441 H THR 441 -24.882 -9.215 1.572 261 HA THR 441 HA THR 441 -24.834 -10.715 3.987 262 HB THR 441 HB THR 441 -24.828 -12.943 2.478 263 HG1 THR 441 1HG THR 441 -26.855 -11.341 1.317 264 1HG2 THR 441 1HG2 THR 441 -26.636 -11.775 4.317 265 2HG2 THR 441 2HG2 THR 441 -26.405 -13.478 3.920 266 3HG2 THR 441 3HG2 THR 441 -27.567 -12.512 3.013 267 H THR 442 H THR 442 -23.840 -11.523 0.674 268 HA THR 442 HA THR 442 -21.055 -11.592 1.580 269 HB THR 442 HB THR 442 -20.922 -12.494 -0.959 270 HG1 THR 442 1HG THR 442 -22.853 -12.808 -1.680 271 1HG2 THR 442 1HG2 THR 442 -20.196 -13.733 1.041 272 2HG2 THR 442 2HG2 THR 442 -21.013 -14.748 -0.145 273 3HG2 THR 442 3HG2 THR 442 -21.865 -14.229 1.309 274 H ASN 443 H ASN 443 -22.334 -9.096 1.300 275 HA ASN 443 HA ASN 443 -22.155 -7.716 -1.029 276 1HB ASN 443 2HB ASN 443 -22.915 -6.728 1.096 277 2HB ASN 443 1HB ASN 443 -21.246 -6.688 1.667 278 1HD2 ASN 443 1HD2 ASN 443 -22.348 -4.349 1.786 279 2HD2 ASN 443 2HD2 ASN 443 -21.898 -3.320 0.473 280 H ILE 444 H ILE 444 -20.612 -7.167 -2.437 281 HA ILE 444 HA ILE 444 -17.836 -6.965 -1.549 282 HB ILE 444 HB ILE 444 -17.156 -8.258 -3.657 283 1HG1 ILE 444 2HG1 ILE 444 -19.872 -9.524 -3.290 284 2HG1 ILE 444 1HG1 ILE 444 -19.556 -8.299 -4.514 285 1HG2 ILE 444 1HG2 ILE 444 -18.218 -9.415 -1.124 286 2HG2 ILE 444 2HG2 ILE 444 -16.554 -9.286 -1.691 287 3HG2 ILE 444 3HG2 ILE 444 -17.633 -10.493 -2.390 288 1HD1 ILE 444 1HD1 ILE 444 -18.588 -11.107 -4.351 289 2HD1 ILE 444 2HD1 ILE 444 -17.627 -9.905 -5.212 290 3HD1 ILE 444 3HD1 ILE 444 -19.286 -10.230 -5.712 291 H THR 445 H THR 445 -17.798 -4.789 -1.966 292 HA THR 445 HA THR 445 -17.190 -3.939 -4.564 293 HB THR 445 HB THR 445 -19.587 -4.221 -4.985 294 HG1 THR 445 1HG THR 445 -19.943 -2.163 -5.792 295 1HG2 THR 445 1HG2 THR 445 -20.845 -2.145 -3.711 296 2HG2 THR 445 2HG2 THR 445 -19.859 -2.860 -2.437 297 3HG2 THR 445 3HG2 THR 445 -21.011 -3.857 -3.323 298 H LYS 446 H LYS 446 -17.678 -1.304 -4.568 299 HA LYS 446 HA LYS 446 -17.015 0.694 -3.709 300 1HB LYS 446 2HB LYS 446 -17.916 -0.733 -1.231 301 2HB LYS 446 1HB LYS 446 -17.144 0.840 -1.107 302 1HG LYS 446 2HG LYS 446 -19.480 0.410 -2.928 303 2HG LYS 446 1HG LYS 446 -19.704 0.728 -1.205 304 1HD LYS 446 2HD LYS 446 -19.268 2.902 -1.461 305 2HD LYS 446 1HD LYS 446 -17.819 2.573 -2.411 306 1HE LYS 446 2HE LYS 446 -18.987 2.555 -4.420 307 2HE LYS 446 1HE LYS 446 -20.535 2.265 -3.628 308 1HZ LYS 446 1HZ LYS 446 -19.218 4.748 -2.915 309 2HZ LYS 446 2HZ LYS 446 -20.847 4.443 -3.250 310 3HZ LYS 446 3HZ LYS 446 -19.748 4.649 -4.519 311 H LYS 447 H LYS 447 -15.072 1.568 -3.452 312 HA LYS 447 HA LYS 447 -12.882 -0.188 -2.637 313 1HB LYS 447 2HB LYS 447 -13.129 1.731 -4.656 314 2HB LYS 447 1HB LYS 447 -12.071 2.478 -3.466 315 1HG LYS 447 2HG LYS 447 -11.656 -0.189 -4.801 316 2HG LYS 447 1HG LYS 447 -10.785 1.307 -5.141 317 1HD LYS 447 2HD LYS 447 -10.166 1.254 -2.638 318 2HD LYS 447 1HD LYS 447 -10.654 -0.441 -2.708 319 1HE LYS 447 2HE LYS 447 -8.551 0.875 -4.426 320 2HE LYS 447 1HE LYS 447 -8.248 -0.194 -3.058 321 1HZ LYS 447 1HZ LYS 447 -9.562 -0.908 -5.622 322 2HZ LYS 447 2HZ LYS 447 -9.474 -1.941 -4.288 323 3HZ LYS 447 3HZ LYS 447 -8.057 -1.444 -5.064 324 H GLN 448 H GLN 448 -12.184 -0.146 -0.616 325 HA GLN 448 HA GLN 448 -12.690 2.218 1.022 326 1HB GLN 448 2HB GLN 448 -12.146 0.778 2.939 327 2HB GLN 448 1HB GLN 448 -13.431 0.095 1.954 328 1HG GLN 448 2HG GLN 448 -10.835 -0.852 1.110 329 2HG GLN 448 1HG GLN 448 -11.124 -1.175 2.818 330 1HE2 GLN 448 1HE2 GLN 448 -11.788 -2.099 -0.369 331 2HE2 GLN 448 2HE2 GLN 448 -12.952 -3.328 -0.030 332 H LYS 449 H LYS 449 -11.059 3.662 1.373 333 HA LYS 449 HA LYS 449 -8.372 2.898 0.600 334 1HB LYS 449 2HB LYS 449 -7.850 5.290 0.838 335 2HB LYS 449 1HB LYS 449 -9.231 5.019 -0.219 336 1HG LYS 449 2HG LYS 449 -10.737 5.585 1.641 337 2HG LYS 449 1HG LYS 449 -9.331 5.914 2.654 338 1HD LYS 449 2HD LYS 449 -8.934 7.378 0.296 339 2HD LYS 449 1HD LYS 449 -10.631 7.607 0.722 340 1HE LYS 449 2HE LYS 449 -9.959 9.149 2.175 341 2HE LYS 449 1HE LYS 449 -9.269 7.840 3.133 342 1HZ LYS 449 1HZ LYS 449 -7.836 9.871 2.252 343 2HZ LYS 449 2HZ LYS 449 -7.653 8.842 0.924 344 3HZ LYS 449 3HZ LYS 449 -7.182 8.325 2.464 345 H TRP 450 H TRP 450 -6.543 3.753 1.984 346 HA TRP 450 HA TRP 450 -6.426 2.426 4.390 347 1HB TRP 450 2HB TRP 450 -4.822 4.600 3.137 348 2HB TRP 450 1HB TRP 450 -4.540 4.253 4.841 349 HD1 TRP 450 HD TRP 450 -5.287 1.532 2.222 350 HE1 TRP 450 1HE TRP 450 -3.225 0.000 2.061 351 HE3 TRP 450 3HE TRP 450 -2.106 4.134 5.255 352 HZ2 TRP 450 2HZ TRP 450 -0.592 -0.092 3.089 353 HZ3 TRP 450 3HZ TRP 450 0.161 3.261 5.617 354 HH2 TRP 450 HH TRP 450 0.901 1.195 4.556 355 H THR 451 H THR 451 -6.011 5.939 4.521 356 HA THR 451 HA THR 451 -8.179 6.882 5.804 357 HB THR 451 HB THR 451 -8.214 5.302 7.547 358 HG1 THR 451 1HG THR 451 -8.406 7.008 8.763 359 1HG2 THR 451 1HG2 THR 451 -6.317 4.053 7.574 360 2HG2 THR 451 2HG2 THR 451 -6.023 5.074 8.981 361 3HG2 THR 451 3HG2 THR 451 -5.255 5.456 7.440 362 H VAL 452 H VAL 452 -7.601 8.727 7.419 363 HA VAL 452 HA VAL 452 -5.380 10.173 6.227 364 HB VAL 452 HB VAL 452 -7.299 11.171 8.325 365 1HG1 VAL 452 1HG1 VAL 452 -5.363 12.559 8.138 366 2HG1 VAL 452 2HG1 VAL 452 -6.699 13.382 7.333 367 3HG1 VAL 452 3HG1 VAL 452 -5.466 12.557 6.377 368 1HG2 VAL 452 1HG2 VAL 452 -7.669 10.718 5.440 369 2HG2 VAL 452 2HG2 VAL 452 -8.175 12.300 6.034 370 3HG2 VAL 452 3HG2 VAL 452 -8.861 10.834 6.732 371 H GLU 453 H GLU 453 -5.971 8.311 9.013 372 HA GLU 453 HA GLU 453 -3.979 9.663 10.637 373 1HB GLU 453 2HB GLU 453 -5.865 7.372 11.095 374 2HB GLU 453 1HB GLU 453 -4.534 7.672 12.203 375 1HG GLU 453 2HG GLU 453 -5.689 9.249 13.231 376 2HG GLU 453 1HG GLU 453 -5.919 10.120 11.716 377 H GLU 454 H GLU 454 -4.435 6.475 9.119 378 HA GLU 454 HA GLU 454 -1.965 5.401 9.931 379 1HB GLU 454 2HB GLU 454 -3.919 4.105 8.998 380 2HB GLU 454 1HB GLU 454 -3.443 4.673 7.403 381 1HG GLU 454 2HG GLU 454 -1.525 3.399 7.371 382 2HG GLU 454 1HG GLU 454 -1.456 3.272 9.127 383 H SER 455 H SER 455 -2.877 7.274 7.086 384 HA SER 455 HA SER 455 -0.391 6.958 5.746 385 1HB SER 455 2HB SER 455 -2.713 8.829 5.416 386 2HB SER 455 1HB SER 455 -1.213 9.124 4.539 387 HG SER 455 HG SER 455 -2.633 6.669 4.489 388 H GLU 456 H GLU 456 -1.395 8.926 8.376 389 HA GLU 456 HA GLU 456 0.629 10.945 8.019 390 1HB GLU 456 2HB GLU 456 -1.561 11.340 9.193 391 2HB GLU 456 1HB GLU 456 -0.971 10.332 10.507 392 1HG GLU 456 2HG GLU 456 0.340 11.948 11.329 393 2HG GLU 456 1HG GLU 456 0.839 12.497 9.732 394 H TRP 457 H TRP 457 0.207 8.018 9.922 395 HA TRP 457 HA TRP 457 2.466 8.279 11.573 396 1HB TRP 457 2HB TRP 457 1.233 5.708 10.565 397 2HB TRP 457 1HB TRP 457 2.207 5.913 12.016 398 HD1 TRP 457 HD TRP 457 0.576 8.687 12.835 399 HE1 TRP 457 1HE TRP 457 -1.718 8.388 13.966 400 HE3 TRP 457 3HE TRP 457 -0.443 3.901 11.351 401 HZ2 TRP 457 2HZ TRP 457 -3.696 6.388 14.197 402 HZ3 TRP 457 3HZ TRP 457 -2.560 2.873 12.065 403 HH2 TRP 457 HH TRP 457 -4.153 4.092 13.459 404 H VAL 458 H VAL 458 2.053 7.022 8.325 405 HA VAL 458 HA VAL 458 4.646 5.868 8.101 406 HB VAL 458 HB VAL 458 2.754 6.788 5.930 407 1HG1 VAL 458 1HG1 VAL 458 4.072 5.216 4.495 408 2HG1 VAL 458 2HG1 VAL 458 5.264 5.127 5.790 409 3HG1 VAL 458 3HG1 VAL 458 4.947 6.666 4.992 410 1HG2 VAL 458 1HG2 VAL 458 2.476 4.226 5.750 411 2HG2 VAL 458 2HG2 VAL 458 1.634 5.081 7.042 412 3HG2 VAL 458 3HG2 VAL 458 3.122 4.199 7.389 413 H LYS 459 H LYS 459 3.280 8.989 7.103 414 HA LYS 459 HA LYS 459 5.466 10.023 5.750 415 1HB LYS 459 2HB LYS 459 3.275 11.314 7.347 416 2HB LYS 459 1HB LYS 459 4.544 12.286 6.616 417 1HG LYS 459 2HG LYS 459 3.488 10.448 4.685 418 2HG LYS 459 1HG LYS 459 2.179 11.370 5.428 419 1HD LYS 459 2HD LYS 459 4.018 13.320 4.996 420 2HD LYS 459 1HD LYS 459 4.332 12.248 3.629 421 1HE LYS 459 2HE LYS 459 2.175 12.498 2.784 422 2HE LYS 459 1HE LYS 459 1.536 13.077 4.322 423 1HZ LYS 459 1HZ LYS 459 1.713 15.062 3.315 424 2HZ LYS 459 2HZ LYS 459 2.877 14.538 2.207 425 3HZ LYS 459 3HZ LYS 459 3.338 14.962 3.776 426 H ALA 460 H ALA 460 4.638 10.631 9.170 427 HA ALA 460 HA ALA 460 7.155 11.852 9.730 428 1HB ALA 460 1HB ALA 460 5.097 12.393 10.979 429 2HB ALA 460 2HB ALA 460 6.428 11.917 12.033 430 3HB ALA 460 3HB ALA 460 5.127 10.778 11.687 431 H GLY 461 H GLY 461 5.923 8.596 9.895 432 1HA GLY 461 2HA GLY 461 7.778 7.473 11.673 433 2HA GLY 461 1HA GLY 461 6.931 6.599 10.405 434 H VAL 462 H VAL 462 7.939 7.840 8.143 435 HA VAL 462 HA VAL 462 10.572 6.648 8.043 436 HB VAL 462 HB VAL 462 9.160 8.104 5.810 437 1HG1 VAL 462 1HG1 VAL 462 11.711 7.078 5.961 438 2HG1 VAL 462 2HG1 VAL 462 10.818 7.417 4.482 439 3HG1 VAL 462 3HG1 VAL 462 10.806 5.791 5.166 440 1HG2 VAL 462 1HG2 VAL 462 7.565 6.536 6.016 441 2HG2 VAL 462 2HG2 VAL 462 8.569 5.508 7.041 442 3HG2 VAL 462 3HG2 VAL 462 8.762 5.463 5.290 443 H GLN 463 H GLU 463 9.292 9.773 8.545 444 HA GLN 463 HA GLU 463 11.506 11.235 7.445 445 1HB GLN 463 2HB GLU 463 9.160 12.131 7.697 446 2HB GLN 463 1HB GLU 463 9.459 12.232 9.427 447 1HG GLN 463 2HG GLU 463 11.074 13.901 9.165 448 2HG GLN 463 1HG GLU 463 11.253 13.580 7.441 449 H LYS 464 H LYS 464 10.904 9.618 10.423 450 HA LYS 464 HA LYS 464 13.196 11.014 11.638 451 1HB LYS 464 2HB LYS 464 12.302 10.497 13.811 452 2HB LYS 464 1HB LYS 464 11.055 11.281 12.856 453 1HG LYS 464 2HG LYS 464 9.816 9.337 12.639 454 2HG LYS 464 1HG LYS 464 11.196 8.298 12.995 455 1HD LYS 464 2HD LYS 464 10.439 8.181 15.088 456 2HD LYS 464 1HD LYS 464 10.914 9.871 15.267 457 1HE LYS 464 2HE LYS 464 8.332 9.512 13.947 458 2HE LYS 464 1HE LYS 464 8.377 8.874 15.589 459 1HZ LYS 464 1HZ LYS 464 9.569 11.242 15.914 460 2HZ LYS 464 2HZ LYS 464 7.911 10.984 16.130 461 3HZ LYS 464 3HZ LYS 464 8.485 11.616 14.670 462 H TYR 465 H TYR 465 11.824 7.901 10.827 463 HA TYR 465 HA TYR 465 14.077 6.522 12.085 464 1HB TYR 465 2HB TYR 465 11.486 5.557 10.885 465 2HB TYR 465 1HB TYR 465 12.791 4.449 11.292 466 HD1 TYR 465 1HD TYR 465 9.945 6.216 12.516 467 HD2 TYR 465 2HD TYR 465 13.630 4.462 13.719 468 HE1 TYR 465 1HE TYR 465 9.138 6.122 14.836 469 HE2 TYR 465 2HE TYR 465 12.832 4.364 16.043 470 HH TYR 465 HH TYR 465 9.567 4.906 16.888 471 H GLY 466 H GLY 466 12.535 6.877 8.905 472 1HA GLY 466 2HA GLY 466 14.109 7.247 7.027 473 2HA GLY 466 1HA GLY 466 15.067 5.936 7.702 474 H GLU 467 H GLU 467 14.569 5.554 5.191 475 HA GLU 467 HA GLU 467 12.058 4.145 4.812 476 1HB GLU 467 2HB GLU 467 13.429 5.669 3.115 477 2HB GLU 467 1HB GLU 467 14.198 4.133 2.742 478 1HG GLU 467 2HG GLU 467 11.826 3.229 2.455 479 2HG GLU 467 1HG GLU 467 11.328 4.918 2.416 480 H GLY 468 H GLY 468 11.985 1.956 3.995 481 1HA GLY 468 2HA GLY 468 12.682 -0.244 3.832 482 2HA GLY 468 1HA GLY 468 14.316 0.281 4.207 483 H ASN 469 H ASN 469 12.180 1.484 6.502 484 HA ASN 469 HA ASN 469 12.644 -0.831 8.265 485 1HB ASN 469 2HB ASN 469 13.493 1.929 8.574 486 2HB ASN 469 1HB ASN 469 12.491 1.414 9.928 487 1HD2 ASN 469 1HD2 ASN 469 15.539 1.240 8.441 488 2HD2 ASN 469 2HD2 ASN 469 16.278 0.136 9.545 489 H TRP 470 H TRP 470 10.450 -1.356 7.413 490 HA TRP 470 HA TRP 470 8.269 0.265 8.435 491 1HB TRP 470 2HB TRP 470 8.004 -2.415 7.087 492 2HB TRP 470 1HB TRP 470 6.825 -1.111 7.167 493 HD1 TRP 470 HD TRP 470 8.260 -2.593 4.503 494 HE1 TRP 470 1HE TRP 470 9.137 -1.012 2.672 495 HE3 TRP 470 3HE TRP 470 8.582 1.720 7.235 496 HZ2 TRP 470 2HZ TRP 470 9.866 1.702 2.417 497 HZ3 TRP 470 3HZ TRP 470 9.378 3.762 6.121 498 HH2 TRP 470 HH TRP 470 10.007 3.752 3.762 499 H ALA 471 H ALA 471 9.897 -2.739 9.162 500 HA ALA 471 HA ALA 471 8.032 -3.941 10.842 501 1HB ALA 471 1HB ALA 471 10.046 -5.088 10.082 502 2HB ALA 471 2HB ALA 471 9.917 -5.142 11.839 503 3HB ALA 471 3HB ALA 471 11.041 -4.020 11.074 504 H ALA 472 H ALA 472 10.610 -1.633 11.664 505 HA ALA 472 HA ALA 472 10.049 -1.564 14.435 506 1HB ALA 472 1HB ALA 472 11.457 0.418 14.506 507 2HB ALA 472 2HB ALA 472 11.394 0.547 12.750 508 3HB ALA 472 3HB ALA 472 12.194 -0.831 13.505 509 H ILE 473 H ILE 473 9.111 0.616 11.785 510 HA ILE 473 HA ILE 473 7.701 2.486 13.296 511 HB ILE 473 HB ILE 473 7.093 1.592 10.473 512 1HG1 ILE 473 2HG1 ILE 473 8.803 3.904 11.404 513 2HG1 ILE 473 1HG1 ILE 473 9.456 2.347 10.909 514 1HG2 ILE 473 1HG2 ILE 473 6.248 3.983 12.080 515 2HG2 ILE 473 2HG2 ILE 473 5.246 2.849 11.173 516 3HG2 ILE 473 3HG2 ILE 473 6.264 4.004 10.316 517 1HD1 ILE 473 1HD1 ILE 473 7.772 3.139 8.832 518 2HD1 ILE 473 2HD1 ILE 473 9.537 3.127 8.843 519 3HD1 ILE 473 3HD1 ILE 473 8.660 4.587 9.307 520 H SER 474 H SER 474 6.605 -0.557 11.852 521 HA SER 474 HA SER 474 3.878 -0.217 12.622 522 1HB SER 474 2HB SER 474 4.605 -1.679 10.738 523 2HB SER 474 1HB SER 474 5.315 -2.786 11.915 524 HG SER 474 HG SER 474 3.325 -3.586 11.595 525 H LYS 475 H LYS 475 6.689 -1.166 14.314 526 HA LYS 475 HA LYS 475 5.184 -2.633 16.341 527 1HB LYS 475 2HB LYS 475 8.103 -2.239 15.773 528 2HB LYS 475 1HB LYS 475 7.578 -2.791 17.359 529 1HG LYS 475 2HG LYS 475 6.204 -4.482 15.751 530 2HG LYS 475 1HG LYS 475 7.661 -4.211 14.793 531 1HD LYS 475 2HD LYS 475 9.043 -4.849 16.706 532 2HD LYS 475 1HD LYS 475 7.592 -5.101 17.677 533 1HE LYS 475 2HE LYS 475 6.954 -6.703 15.680 534 2HE LYS 475 1HE LYS 475 8.702 -6.735 15.449 535 1HZ LYS 475 1HZ LYS 475 7.221 -7.497 17.905 536 2HZ LYS 475 2HZ LYS 475 8.904 -7.391 17.807 537 3HZ LYS 475 3HZ LYS 475 8.075 -8.530 16.871 538 H ASN 476 H ASN 476 6.145 0.546 15.724 539 HA ASN 476 HA ASN 476 6.046 1.215 18.590 540 1HB ASN 476 2HB ASN 476 8.060 1.818 16.911 541 2HB ASN 476 1HB ASN 476 7.041 3.231 16.659 542 1HD2 ASN 476 1HD2 ASN 476 8.541 1.276 19.190 543 2HD2 ASN 476 2HD2 ASN 476 8.801 2.582 20.291 544 H TYR 477 H TYR 477 4.580 1.728 15.491 545 HA TYR 477 HA TYR 477 2.931 3.905 16.556 546 1HB TYR 477 2HB TYR 477 3.606 2.964 13.801 547 2HB TYR 477 1HB TYR 477 2.086 3.812 14.051 548 HD1 TYR 477 1HD TYR 477 5.761 4.114 14.375 549 HD2 TYR 477 2HD TYR 477 2.031 6.163 14.341 550 HE1 TYR 477 1HE TYR 477 6.948 6.265 14.264 551 HE2 TYR 477 2HE TYR 477 3.208 8.317 14.228 552 HH TYR 477 HH TYR 477 5.436 9.230 14.820 553 HA PRO 478 HA PRO 478 -0.685 1.443 17.041 554 1HB PRO 478 2HB PRO 478 -2.669 3.084 16.217 555 2HB PRO 478 1HB PRO 478 -1.756 3.374 17.703 556 1HG PRO 478 2HG PRO 478 -1.410 4.610 14.996 557 2HG PRO 478 1HG PRO 478 -1.406 5.389 16.589 558 1HD PRO 478 2HD PRO 478 0.873 4.791 15.254 559 2HD PRO 478 1HD PRO 478 0.770 4.771 17.026 560 H PHE 479 H PHE 479 0.528 0.455 14.856 561 HA PHE 479 HA PHE 479 -1.311 0.542 12.604 562 1HB PHE 479 2HB PHE 479 1.408 -0.660 13.053 563 2HB PHE 479 1HB PHE 479 0.428 -1.149 11.672 564 HD1 PHE 479 1HD PHE 479 2.301 1.588 13.213 565 HD2 PHE 479 2HD PHE 479 0.013 0.358 9.842 566 HE1 PHE 479 1HE PHE 479 3.094 3.554 11.962 567 HE2 PHE 479 2HE PHE 479 0.804 2.320 8.585 568 HZ PHE 479 HZ PHE 479 2.346 3.921 9.646 569 H VAL 480 H VAL 480 -2.322 -1.328 11.735 570 HA VAL 480 HA VAL 480 -2.291 -3.796 13.233 571 HB VAL 480 HB VAL 480 -4.816 -3.763 13.513 572 1HG1 VAL 480 1HG1 VAL 480 -3.293 -1.778 15.191 573 2HG1 VAL 480 2HG1 VAL 480 -3.165 -3.528 15.358 574 3HG1 VAL 480 3HG1 VAL 480 -4.703 -2.724 15.670 575 1HG2 VAL 480 1HG2 VAL 480 -4.472 -0.776 13.369 576 2HG2 VAL 480 2HG2 VAL 480 -5.965 -1.688 13.571 577 3HG2 VAL 480 3HG2 VAL 480 -5.102 -1.743 12.035 578 H ASN 481 H ASN 481 -3.197 -5.538 12.091 579 HA ASN 481 HA ASN 481 -3.586 -6.729 10.185 580 1HB ASN 481 2HB ASN 481 -5.690 -4.751 10.488 581 2HB ASN 481 1HB ASN 481 -5.470 -5.202 8.802 582 1HD2 ASN 481 1HD2 ASN 481 -5.688 -7.409 8.218 583 2HD2 ASN 481 2HD2 ASN 481 -6.633 -8.485 9.183 584 H ARG 482 H ARG 482 -1.488 -4.649 10.060 585 HA ARG 482 HA ARG 482 -1.301 -4.504 7.142 586 1HB ARG 482 2HB ARG 482 -1.736 -2.262 8.840 587 2HB ARG 482 1HB ARG 482 -0.094 -2.153 8.228 588 1HG ARG 482 2HG ARG 482 -1.286 -1.009 6.629 589 2HG ARG 482 1HG ARG 482 -1.187 -2.623 5.925 590 1HD ARG 482 2HD ARG 482 -3.431 -1.850 5.670 591 2HD ARG 482 1HD ARG 482 -3.429 -3.108 6.904 592 HE ARG 482 HE ARG 482 -3.159 -0.557 8.096 593 1HH1 ARG 482 1HH1 ARG 482 -5.514 -2.615 6.550 594 2HH1 ARG 482 2HH1 ARG 482 -6.858 -1.918 7.388 595 1HH2 ARG 482 1HH2 ARG 482 -4.925 0.362 9.200 596 2HH2 ARG 482 2HH2 ARG 482 -6.525 -0.227 8.893 597 H THR 483 H THR 483 0.554 -5.359 6.485 598 HA THR 483 HA THR 483 2.727 -5.665 8.422 599 HB THR 483 HB THR 483 3.223 -6.988 5.908 600 HG1 THR 483 1HG THR 483 1.394 -7.927 5.515 601 1HG2 THR 483 1HG2 THR 483 3.692 -8.816 7.182 602 2HG2 THR 483 2HG2 THR 483 2.433 -8.457 8.362 603 3HG2 THR 483 3HG2 THR 483 3.934 -7.531 8.364 604 H ALA 484 H ALA 484 4.939 -5.881 6.961 605 HA ALA 484 HA ALA 484 5.612 -3.198 6.374 606 1HB ALA 484 1HB ALA 484 7.791 -4.053 5.736 607 2HB ALA 484 2HB ALA 484 7.156 -5.695 5.674 608 3HB ALA 484 3HB ALA 484 7.241 -4.838 7.213 609 H VAL 485 H VAL 485 4.458 -5.810 4.399 610 HA VAL 485 HA VAL 485 5.332 -4.872 1.886 611 HB VAL 485 HB VAL 485 2.891 -6.545 2.502 612 1HG1 VAL 485 1HG1 VAL 485 2.492 -6.149 0.320 613 2HG1 VAL 485 2HG1 VAL 485 3.760 -7.350 0.066 614 3HG1 VAL 485 3HG1 VAL 485 4.149 -5.631 0.004 615 1HG2 VAL 485 1HG2 VAL 485 5.750 -7.138 2.543 616 2HG2 VAL 485 2HG2 VAL 485 4.823 -8.225 1.507 617 3HG2 VAL 485 3HG2 VAL 485 4.393 -8.048 3.207 618 H MET 486 H MET 486 2.227 -4.477 3.589 619 HA MET 486 HA MET 486 0.933 -2.963 1.631 620 1HB MET 486 2HB MET 486 0.604 -3.216 4.599 621 2HB MET 486 1HB MET 486 -0.337 -2.025 3.713 622 1HG MET 486 2HG MET 486 -0.488 -4.531 2.357 623 2HG MET 486 1HG MET 486 -0.872 -4.765 4.062 624 1HE MET 486 1HE MET 486 -2.441 -5.040 1.268 625 2HE MET 486 2HE MET 486 -4.024 -4.274 1.401 626 3HE MET 486 3HE MET 486 -3.528 -5.482 2.585 627 H ILE 487 H ILE 487 3.004 -1.934 4.311 628 HA ILE 487 HA ILE 487 2.640 0.848 3.901 629 HB ILE 487 HB ILE 487 4.940 -0.578 5.241 630 1HG1 ILE 487 2HG1 ILE 487 2.889 0.787 6.859 631 2HG1 ILE 487 1HG1 ILE 487 2.315 -0.635 5.996 632 1HG2 ILE 487 1HG2 ILE 487 5.833 1.490 5.123 633 2HG2 ILE 487 2HG2 ILE 487 4.760 1.802 6.488 634 3HG2 ILE 487 3HG2 ILE 487 4.272 2.266 4.857 635 1HD1 ILE 487 1HD1 ILE 487 4.273 -1.869 7.008 636 2HD1 ILE 487 2HD1 ILE 487 2.987 -1.384 8.112 637 3HD1 ILE 487 3HD1 ILE 487 4.490 -0.463 8.051 638 H LYS 488 H LYS 488 4.679 -1.526 2.406 639 HA LYS 488 HA LYS 488 6.509 0.398 1.280 640 1HB LYS 488 2HB LYS 488 7.238 -1.889 1.799 641 2HB LYS 488 1HB LYS 488 6.095 -2.524 0.625 642 1HG LYS 488 2HG LYS 488 8.173 -2.542 -0.454 643 2HG LYS 488 1HG LYS 488 7.322 -1.140 -1.107 644 1HD LYS 488 2HD LYS 488 8.601 -0.035 1.018 645 2HD LYS 488 1HD LYS 488 9.754 -1.283 0.541 646 1HE LYS 488 2HE LYS 488 9.629 -0.407 -1.790 647 2HE LYS 488 1HE LYS 488 8.627 0.913 -1.191 648 1HZ LYS 488 1HZ LYS 488 11.228 0.424 0.077 649 2HZ LYS 488 2HZ LYS 488 10.376 1.875 -0.103 650 3HZ LYS 488 3HZ LYS 488 11.189 1.202 -1.426 651 H ASP 489 H ASP 489 3.489 -1.038 0.394 652 HA ASP 489 HA ASP 489 3.680 -0.619 -2.414 653 1HB ASP 489 2HB ASP 489 2.067 -2.157 -1.084 654 2HB ASP 489 1HB ASP 489 1.074 -0.710 -0.920 655 H ARG 490 H ARG 490 1.910 1.148 0.136 656 HA ARG 490 HA ARG 490 1.037 3.230 -1.549 657 1HB ARG 490 2HB ARG 490 0.422 2.498 0.962 658 2HB ARG 490 1HB ARG 490 1.501 3.841 1.318 659 1HG ARG 490 2HG ARG 490 0.124 5.330 -0.013 660 2HG ARG 490 1HG ARG 490 -0.935 3.987 -0.446 661 1HD ARG 490 2HD ARG 490 -2.158 4.675 1.309 662 2HD ARG 490 1HD ARG 490 -0.949 3.818 2.266 663 HE ARG 490 HE ARG 490 -0.414 5.836 3.157 664 1HH1 ARG 490 1HH1 ARG 490 -1.610 6.395 -0.077 665 2HH1 ARG 490 2HH1 ARG 490 -1.373 8.108 -0.001 666 1HH2 ARG 490 1HH2 ARG 490 -0.098 8.089 3.251 667 2HH2 ARG 490 2HH2 ARG 490 -0.517 9.069 1.886 668 H TRP 491 H TRP 491 3.932 2.856 0.437 669 HA TRP 491 HA TRP 491 4.870 5.504 0.172 670 1HB TRP 491 2HB TRP 491 5.659 3.648 1.784 671 2HB TRP 491 1HB TRP 491 6.688 3.124 0.456 672 HD1 TRP 491 HD TRP 491 9.042 4.101 0.570 673 HE1 TRP 491 1HE TRP 491 10.120 6.226 1.541 674 HE3 TRP 491 3HE TRP 491 4.840 6.403 2.355 675 HZ2 TRP 491 2HZ TRP 491 9.300 8.567 2.888 676 HZ3 TRP 491 3HZ TRP 491 5.072 8.583 3.471 677 HH2 TRP 491 HH TRP 491 7.259 9.642 3.733 678 H ARG 492 H ARG 492 4.981 2.748 -1.939 679 HA ARG 492 HA ARG 492 7.055 3.807 -3.632 680 1HB ARG 492 2HB ARG 492 5.998 1.303 -3.229 681 2HB ARG 492 1HB ARG 492 5.305 1.752 -4.781 682 1HG ARG 492 2HG ARG 492 7.443 2.029 -5.759 683 2HG ARG 492 1HG ARG 492 8.246 1.939 -4.190 684 1HD ARG 492 2HD ARG 492 8.427 -0.264 -4.384 685 2HD ARG 492 1HD ARG 492 6.676 -0.412 -4.543 686 HE ARG 492 HE ARG 492 8.633 -0.513 -6.653 687 1HH1 ARG 492 1HH1 ARG 492 5.284 0.079 -5.867 688 2HH1 ARG 492 2HH1 ARG 492 4.714 -0.282 -7.461 689 1HH2 ARG 492 1HH2 ARG 492 7.885 -0.988 -8.752 690 2HH2 ARG 492 2HH2 ARG 492 6.192 -0.889 -9.099 691 H THR 493 H THR 493 3.589 3.982 -3.462 692 HA THR 493 HA THR 493 3.197 4.818 -6.170 693 HB THR 493 HB THR 493 1.506 3.753 -4.483 694 HG1 THR 493 1HG THR 493 -0.141 4.561 -5.739 695 1HG2 THR 493 1HG2 THR 493 0.345 6.398 -4.084 696 2HG2 THR 493 2HG2 THR 493 1.790 6.096 -3.120 697 3HG2 THR 493 3HG2 THR 493 0.410 5.004 -3.004 698 H MET 494 H MET 494 3.938 6.421 -3.172 699 HA MET 494 HA MET 494 3.296 9.050 -4.208 700 1HB MET 494 2HB MET 494 3.381 7.998 -1.680 701 2HB MET 494 1HB MET 494 4.891 8.897 -1.747 702 1HG MET 494 2HG MET 494 3.859 10.895 -1.766 703 2HG MET 494 1HG MET 494 2.511 10.314 -2.741 704 1HE MET 494 1HE MET 494 2.726 10.822 1.733 705 2HE MET 494 2HE MET 494 3.782 11.450 0.466 706 3HE MET 494 3HE MET 494 3.986 9.797 1.048 707 H LYS 495 H LYS 495 6.091 7.007 -3.818 708 HA LYS 495 HA LYS 495 7.974 9.146 -4.302 709 1HB LYS 495 2HB LYS 495 8.225 6.824 -2.984 710 2HB LYS 495 1HB LYS 495 8.814 6.311 -4.558 711 1HG LYS 495 2HG LYS 495 10.269 8.496 -4.350 712 2HG LYS 495 1HG LYS 495 9.980 8.244 -2.626 713 1HD LYS 495 2HD LYS 495 11.319 6.435 -2.543 714 2HD LYS 495 1HD LYS 495 10.768 5.831 -4.106 715 1HE LYS 495 2HE LYS 495 12.143 7.793 -5.080 716 2HE LYS 495 1HE LYS 495 12.923 7.820 -3.500 717 1HZ LYS 495 1HZ LYS 495 14.280 6.357 -4.529 718 2HZ LYS 495 2HZ LYS 495 13.103 5.838 -5.624 719 3HZ LYS 495 3HZ LYS 495 13.103 5.244 -4.042 720 H ARG 496 H ARG 496 6.163 6.901 -6.189 721 HA ARG 496 HA ARG 496 7.923 7.123 -8.489 722 1HB ARG 496 2HB ARG 496 6.415 5.078 -7.728 723 2HB ARG 496 1HB ARG 496 5.202 5.917 -8.686 724 1HG ARG 496 2HG ARG 496 7.255 5.952 -10.417 725 2HG ARG 496 1HG ARG 496 7.622 4.471 -9.535 726 1HD ARG 496 2HD ARG 496 4.875 4.374 -10.023 727 2HD ARG 496 1HD ARG 496 5.592 4.972 -11.520 728 HE ARG 496 HE ARG 496 6.920 2.669 -10.414 729 1HH1 ARG 496 1HH1 ARG 496 4.350 3.777 -12.499 730 2HH1 ARG 496 2HH1 ARG 496 4.291 2.308 -13.414 731 1HH2 ARG 496 1HH2 ARG 496 6.842 0.737 -11.618 732 2HH2 ARG 496 2HH2 ARG 496 5.706 0.585 -12.915 733 H LEU 497 H LEU 497 4.839 8.368 -7.366 734 HA LEU 497 HA LEU 497 4.929 10.361 -9.503 735 1HB LEU 497 2HB LEU 497 3.021 8.215 -9.332 736 2HB LEU 497 1HB LEU 497 2.200 9.751 -9.146 737 HG LEU 497 HG LEU 497 4.095 9.782 -11.359 738 1HD1 LEU 497 1HD1 LEU 497 2.790 8.332 -12.840 739 2HD1 LEU 497 2HD1 LEU 497 1.806 7.823 -11.467 740 3HD1 LEU 497 3HD1 LEU 497 3.524 7.425 -11.516 741 1HD2 LEU 497 1HD2 LEU 497 2.379 10.924 -12.450 742 2HD2 LEU 497 2HD2 LEU 497 2.175 11.376 -10.758 743 3HD2 LEU 497 3HD2 LEU 497 1.122 10.159 -11.479 744 H GLY 498 H GLY 498 5.635 11.732 -7.772 745 1HA GLY 498 2HA GLY 498 3.841 13.480 -6.753 746 2HA GLY 498 1HA GLY 498 3.865 12.209 -5.539 747 H MET 499 H MET 499 6.173 11.562 -4.864 748 HA MET 499 HA MET 499 7.466 13.963 -3.944 749 1HB MET 499 2HB MET 499 8.032 11.033 -3.502 750 2HB MET 499 1HB MET 499 9.017 12.315 -2.812 751 1HG MET 499 2HG MET 499 6.370 12.955 -2.168 752 2HG MET 499 1HG MET 499 6.530 11.222 -1.891 753 1HE MET 499 1HE MET 499 5.819 13.497 0.089 754 2HE MET 499 2HE MET 499 7.081 14.700 -0.176 755 3HE MET 499 3HE MET 499 7.017 13.809 1.345 756 H ASN 500 H ASN 500 7.673 12.286 -6.777 757 HA ASN 500 HA ASN 500 10.464 13.135 -7.183 758 1HB ASN 500 2HB ASN 500 9.215 10.530 -7.638 759 2HB ASN 500 1HB ASN 500 10.047 11.146 -9.062 760 1HD2 ASN 500 1HD2 ASN 500 12.217 11.121 -9.128 761 2HD2 ASN 500 2HD2 ASN 500 13.229 10.550 -7.848 Start of MODEL 11 1 2H5* G 1 H5' GUA 1 8.689 -15.257 11.177 2 H4* G 1 H4' GUA 1 10.451 -13.441 11.697 3 H3* G 1 H3' GUA 1 8.060 -13.175 10.527 4 H1* G 1 H1' GUA 1 11.229 -11.971 8.574 5 H8 G 1 8H GUA 1 9.610 -15.202 7.233 6 H1 G 1 1H GUA 1 14.901 -13.258 4.174 7 1H2 G 1 1H2 GUA 1 15.072 -10.828 6.631 8 2H2 G 1 2H2 GUA 1 15.778 -11.524 5.190 9 2H2* G 1 H2' GUA 1 8.876 -11.850 8.309 10 H5T G 1 H5T GUA 1 10.360 -16.644 9.659 11 2H5* T 2 H5' THY 2 10.862 -9.002 10.828 12 H4* T 2 H4' THY 2 12.290 -7.940 9.434 13 H3* T 2 H3' THY 2 9.796 -6.953 9.139 14 2H2* T 2 H2' THY 2 9.847 -6.754 6.438 15 H1* T 2 H1' THY 2 11.943 -7.830 6.032 16 H3 T 2 3H THY 2 11.424 -10.772 2.731 17 1H5M T 2 1H7 THY 2 8.675 -13.089 6.330 18 2H5M T 2 2H7 THY 2 7.884 -12.858 4.753 19 3H5M T 2 3H7 THY 2 7.474 -11.793 6.118 20 H6 T 2 6H THY 2 9.320 -10.277 6.983 21 2H5* T 3 H5' THY 3 13.461 -4.544 6.518 22 H4* T 3 H4' THY 3 14.364 -4.650 4.430 23 H3* T 3 H3' THY 3 12.234 -2.997 4.519 24 2H2* T 3 H2' THY 3 11.129 -3.750 2.170 25 H1* T 3 H1' THY 3 12.621 -5.555 1.651 26 H3 T 3 3H THY 3 10.341 -9.181 0.410 27 1H5M T 3 1H7 THY 3 8.600 -8.366 5.262 28 2H5M T 3 2H7 THY 3 7.548 -9.067 4.011 29 3H5M T 3 3H7 THY 3 7.499 -7.319 4.336 30 H6 T 3 6H THY 3 10.073 -6.329 4.225 31 2H5* A 4 H5' ADE 4 14.711 -2.709 -0.144 32 H4* A 4 H4' ADE 4 14.524 -3.910 -2.107 33 H3* A 4 H3' ADE 4 12.888 -1.762 -1.939 34 H1* A 4 H1' ADE 4 11.590 -5.162 -3.242 35 H8 A 4 8H ADE 4 10.319 -4.390 0.348 36 1H6 A 4 1H6 ADE 4 7.144 -8.059 0.649 37 2H6 A 4 2H6 ADE 4 6.714 -9.363 -0.436 38 H2 A 4 2H ADE 4 9.256 -8.896 -4.099 39 2H2* A 4 H2' ADE 4 10.727 -2.931 -3.079 40 2H5* G 5 H5' GUA 5 13.371 -3.787 -6.577 41 H4* G 5 H4' GUA 5 12.305 -5.276 -7.893 42 H3* G 5 H3' GUA 5 11.187 -2.847 -8.202 43 H1* G 5 H1' GUA 5 8.935 -5.964 -7.673 44 H8 G 5 8H GUA 5 9.252 -3.758 -4.497 45 H1 G 5 1H GUA 5 4.931 -8.493 -4.244 46 1H2 G 5 1H2 GUA 5 6.055 -9.288 -7.416 47 2H2 G 5 2H2 GUA 5 4.968 -9.662 -6.099 48 2H2* G 5 H2' GUA 5 8.604 -3.657 -8.206 49 2H5* G 6 H5' GUA 6 9.458 -6.352 -11.366 50 H4* G 6 H4' GUA 6 7.657 -7.669 -11.690 51 H3* G 6 H3' GUA 6 7.136 -5.206 -12.650 52 H1* G 6 H1' GUA 6 4.535 -7.013 -10.416 53 H8 G 6 8H GUA 6 6.387 -4.146 -8.584 54 H1 G 6 1H GUA 6 1.624 -6.963 -5.340 55 1H2 G 6 1H2 GUA 6 1.391 -9.057 -8.084 56 2H2 G 6 2H2 GUA 6 0.786 -8.624 -6.500 57 2H2* G 6 H2' GUA 6 4.607 -5.003 -11.711 58 2H5* G 7 H5' GUA 7 3.606 -8.685 -14.387 59 H4* G 7 H4' GUA 7 1.655 -9.531 -13.493 60 H3* G 7 H3' GUA 7 1.293 -7.418 -15.114 61 H1* G 7 H1' GUA 7 -0.500 -7.526 -11.669 62 H8 G 7 8H GUA 7 2.611 -5.206 -11.690 63 H1 G 7 1H GUA 7 -1.158 -4.857 -6.514 64 1H2 G 7 1H2 GUA 7 -3.005 -7.342 -8.057 65 2H2 G 7 2H2 GUA 7 -2.812 -6.287 -6.674 66 2H2* G 7 H2' GUA 7 -0.545 -6.127 -13.603 67 2H5* T 8 H5' THY 8 -2.914 -9.595 -13.412 68 H4* T 8 H4' THY 8 -4.458 -9.326 -11.730 69 H3* T 8 H3' THY 8 -5.141 -8.113 -14.042 70 2H2* T 8 H2' THY 8 -6.144 -5.855 -12.929 71 H1* T 8 H1' THY 8 -5.515 -6.253 -10.658 72 H3 T 8 3H THY 8 -3.730 -2.468 -9.139 73 1H5M T 8 1H7 THY 8 0.063 -4.083 -12.153 74 2H5M T 8 2H7 THY 8 -0.967 -3.575 -13.511 75 3H5M T 8 3H7 THY 8 -0.431 -2.381 -12.306 76 H6 T 8 6H THY 8 -2.471 -5.467 -12.630 77 2H5* T 9 H5' THY 9 -8.630 -8.394 -10.499 78 H4* T 9 H4' THY 9 -9.641 -7.186 -8.912 79 H3* T 9 H3' THY 9 -10.800 -6.543 -11.261 80 2H2* T 9 H2' THY 9 -10.937 -3.870 -10.835 81 H1* T 9 H1' THY 9 -9.700 -3.752 -8.797 82 H3 T 9 3H THY 9 -6.638 -0.523 -9.057 83 1H5M T 9 1H7 THY 9 -4.480 -2.808 -12.567 84 2H5M T 9 2H7 THY 9 -5.748 -3.904 -13.166 85 3H5M T 9 3H7 THY 9 -5.812 -2.169 -13.559 86 H6 T 9 6H THY 9 -7.556 -4.344 -11.760 87 2H5* A 10 H5' ADE 10 -13.395 -4.252 -7.287 88 H4* A 10 H4' ADE 10 -13.016 -2.175 -6.351 89 H3* A 10 H3' ADE 10 -14.799 -2.196 -8.429 90 H1* A 10 H1' ADE 10 -12.141 0.545 -7.940 91 H8 A 10 8H ADE 10 -11.329 -1.719 -10.993 92 1H6 A 10 1H6 ADE 10 -7.712 0.986 -12.787 93 2H6 A 10 2H6 ADE 10 -6.937 2.460 -12.250 94 H2 A 10 2H ADE 10 -8.967 3.676 -8.439 95 2H2* A 10 H2' ADE 10 -14.051 0.248 -9.364 96 2H5* G 11 H5' GUA 11 -16.357 2.540 -5.784 97 H4* G 11 H4' GUA 11 -14.605 4.288 -5.273 98 H3* G 11 H3' GUA 11 -16.770 4.537 -6.900 99 H1* G 11 H1' GUA 11 -13.255 5.677 -7.965 100 H8 G 11 8H GUA 11 -14.059 2.219 -9.536 101 H1 G 11 1H GUA 11 -9.369 5.586 -12.331 102 1H2 G 11 1H2 GUA 11 -10.085 7.996 -9.955 103 2H2 G 11 2H2 GUA 11 -9.108 7.516 -11.325 104 2H2* G 11 H2' GUA 11 -15.478 5.860 -8.876 105 2H5* G 12 H5' GUA 12 -14.577 8.921 -5.476 106 H4* G 12 H4' GUA 12 -12.947 10.275 -6.313 107 H3* G 12 H3' GUA 12 -15.377 11.097 -7.066 108 H1* G 12 H1' GUA 12 -12.607 10.740 -9.787 109 H8 G 12 8H GUA 12 -14.904 7.616 -9.560 110 H1 G 12 1H GUA 12 -11.386 8.175 -14.893 111 1H2 G 12 1H2 GUA 12 -10.221 11.102 -13.463 112 2H2 G 12 2H2 GUA 12 -10.175 10.003 -14.822 113 2H2* G 12 H2' GUA 12 -14.838 11.566 -9.675 114 2H5* G 13 H5' GUA 13 -11.787 14.637 -8.562 115 H4* G 13 H4' GUA 13 -10.435 14.888 -10.482 116 H3* G 13 H3' GUA 13 -12.702 16.324 -10.331 117 H1* G 13 H1' GUA 13 -11.878 14.383 -13.596 118 H8 G 13 8H GUA 13 -14.445 12.532 -11.347 119 H1 G 13 1H GUA 13 -13.826 10.348 -17.346 120 1H2 G 13 1H2 GUA 13 -11.442 12.832 -17.689 121 2H2 G 13 2H2 GUA 13 -12.312 11.508 -18.429 122 H3T G 13 H3T GUA 13 -10.443 16.475 -11.576 123 2H2* G 13 H2' GUA 13 -13.529 15.955 -12.881 124 2H5* C 14 H5' CYT 14 -12.249 7.196 -25.572 125 H4* C 14 H4' CYT 14 -11.060 9.257 -24.746 126 H3* C 14 H3' CYT 14 -10.412 6.701 -24.216 127 H1* C 14 H1' CYT 14 -10.832 9.219 -21.290 128 1H4 C 14 1H4 CYT 14 -16.361 7.318 -18.167 129 2H4 C 14 2H4 CYT 14 -15.667 8.640 -17.254 130 H5 C 14 5H CYT 14 -15.392 6.488 -20.225 131 H6 C 14 6H CYT 14 -13.568 6.765 -21.824 132 2H2* C 14 H2' CYT 14 -10.092 6.962 -21.543 133 H5T C 14 H5T CYT 14 -13.720 7.766 -23.218 134 2H5* C 15 H5' CYT 15 -6.730 9.983 -22.489 135 H4* C 15 H4' CYT 15 -6.477 11.127 -20.512 136 H3* C 15 H3' CYT 15 -5.197 8.764 -20.551 137 H1* C 15 H1' CYT 15 -7.377 9.711 -17.477 138 1H4 C 15 1H4 CYT 15 -12.655 5.712 -17.813 139 2H4 C 15 2H4 CYT 15 -12.672 6.487 -16.243 140 H5 C 15 5H CYT 15 -10.947 6.148 -19.475 141 H6 C 15 6H CYT 15 -8.918 7.410 -19.967 142 2H2* C 15 H2' CYT 15 -5.865 7.959 -18.056 143 2H5* C 16 H5' CYT 16 -4.401 11.696 -16.690 144 H4* C 16 H4' CYT 16 -4.941 11.988 -14.522 145 H3* C 16 H3' CYT 16 -2.798 10.394 -14.666 146 H1* C 16 H1' CYT 16 -5.823 9.253 -12.456 147 1H4 C 16 1H4 CYT 16 -8.530 4.303 -15.940 148 2H4 C 16 2H4 CYT 16 -9.230 4.272 -14.337 149 H5 C 16 5H CYT 16 -6.884 5.943 -16.624 150 H6 C 16 6H CYT 16 -5.583 7.879 -15.911 151 2H2* C 16 H2' CYT 16 -3.600 8.537 -12.860 152 2H5* T 17 H5' THY 17 -4.207 11.860 -9.992 153 H4* T 17 H4' THY 17 -5.536 10.904 -8.446 154 H3* T 17 H3' THY 17 -2.986 10.080 -8.065 155 2H2* T 17 H2' THY 17 -3.581 7.500 -7.492 156 H1* T 17 H1' THY 17 -5.929 7.571 -7.972 157 H3 T 17 3H THY 17 -7.040 4.063 -10.482 158 1H5M T 17 1H7 THY 17 -4.226 5.766 -13.943 159 2H5M T 17 2H7 THY 17 -3.001 6.637 -12.988 160 3H5M T 17 3H7 THY 17 -3.031 4.857 -12.990 161 H6 T 17 6H THY 17 -3.810 7.535 -11.012 162 2H5* A 18 H5' ADE 18 -5.936 8.740 -4.146 163 H4* A 18 H4' ADE 18 -6.724 6.981 -3.012 164 H3* A 18 H3' ADE 18 -4.060 6.938 -2.754 165 H1* A 18 H1' ADE 18 -5.855 3.633 -3.991 166 H8 A 18 8H ADE 18 -3.747 5.582 -6.561 167 1H6 A 18 1H6 ADE 18 -4.490 2.635 -10.357 168 2H6 A 18 2H6 ADE 18 -5.488 1.217 -10.593 169 H2 A 18 2H ADE 18 -7.675 0.508 -6.745 170 2H2* A 18 H2' ADE 18 -3.739 4.261 -3.204 171 2H5* A 19 H5' ADE 19 -6.827 3.409 -0.516 172 H4* A 19 H4' ADE 19 -7.659 1.408 -1.209 173 H3* A 19 H3' ADE 19 -5.342 1.101 0.160 174 H1* A 19 H1' ADE 19 -6.012 -0.824 -3.122 175 H8 A 19 8H ADE 19 -3.440 2.052 -3.620 176 1H6 A 19 1H6 ADE 19 -2.085 0.841 -8.130 177 2H6 A 19 2H6 ADE 19 -2.589 -0.421 -9.236 178 H2 A 19 2H ADE 19 -5.780 -2.777 -7.143 179 2H2* A 19 H2' ADE 19 -4.326 -0.857 -1.418 180 2H5* C 20 H5' CYT 20 -7.721 -3.630 -0.324 181 H4* C 20 H4' CYT 20 -7.698 -5.488 -1.816 182 H3* C 20 H3' CYT 20 -6.031 -5.458 0.292 183 H1* C 20 H1' CYT 20 -4.653 -6.360 -3.229 184 1H4 C 20 1H4 CYT 20 -0.901 -1.183 -4.986 185 2H4 C 20 2H4 CYT 20 -0.588 -2.478 -6.119 186 H5 C 20 5H CYT 20 -2.484 -1.387 -3.161 187 H6 C 20 6H CYT 20 -4.076 -2.871 -2.060 188 2H2* C 20 H2' CYT 20 -3.823 -6.349 -0.993 189 2H5* C 21 H5' CYT 21 -6.451 -10.072 -2.036 190 H4* C 21 H4' CYT 21 -5.293 -10.979 -3.754 191 H3* C 21 H3' CYT 21 -4.129 -11.614 -1.403 192 H1* C 21 H1' CYT 21 -1.988 -10.377 -4.382 193 1H4 C 21 1H4 CYT 21 0.251 -4.396 -2.602 194 2H4 C 21 2H4 CYT 21 1.048 -4.839 -4.095 195 H5 C 21 5H CYT 21 -1.397 -5.805 -1.523 196 H6 C 21 6H CYT 21 -2.613 -7.917 -1.661 197 2H2* C 21 H2' CYT 21 -1.567 -11.273 -2.203 198 2H5* C 22 H5' CYT 22 -2.092 -14.231 -5.304 199 H4* C 22 H4' CYT 22 -0.229 -14.274 -6.617 200 H3* C 22 H3' CYT 22 0.199 -15.470 -4.251 201 H1* C 22 H1' CYT 22 2.786 -12.884 -5.576 202 1H4 C 22 1H4 CYT 22 2.082 -7.599 -1.637 203 2H4 C 22 2H4 CYT 22 3.514 -7.351 -2.610 204 H5 C 22 5H CYT 22 0.684 -9.567 -1.833 205 H6 C 22 6H CYT 22 0.379 -11.688 -3.001 206 2H2* C 22 H2' CYT 22 2.640 -14.413 -3.750 207 2H5* T 23 H5' THY 23 3.851 -15.842 -7.625 208 H4* T 23 H4' THY 23 5.844 -14.927 -8.101 209 H3* T 23 H3' THY 23 6.243 -16.896 -6.311 210 2H2* T 23 H2' THY 23 8.002 -15.580 -4.733 211 H1* T 23 H1' THY 23 7.898 -13.429 -5.774 212 H3 T 23 3H THY 23 7.431 -10.309 -2.632 213 1H5M T 23 1H7 THY 23 2.895 -12.644 -2.249 214 2H5M T 23 2H7 THY 23 3.781 -12.312 -0.741 215 3H5M T 23 3H7 THY 23 3.794 -13.949 -1.436 216 H6 T 23 6H THY 23 4.845 -14.145 -3.791 217 2H5* A 24 H5' ADE 24 10.715 -15.323 -8.558 218 H4* A 24 H4' ADE 24 12.106 -13.576 -8.045 219 H3* A 24 H3' ADE 24 12.868 -15.888 -6.898 220 H1* A 24 H1' ADE 24 12.759 -12.628 -4.801 221 H8 A 24 8H ADE 24 9.770 -14.994 -4.044 222 1H6 A 24 1H6 ADE 24 8.073 -12.573 -0.184 223 2H6 A 24 2H6 ADE 24 8.557 -11.093 0.612 224 H2 A 24 2H ADE 24 12.098 -9.512 -1.643 225 2H2* A 24 H2' ADE 24 13.509 -14.876 -4.472 226 2H5* A 25 H5' ADE 25 16.696 -12.279 -6.625 227 H4* A 25 H4' ADE 25 17.044 -10.546 -5.137 228 H3* A 25 H3' ADE 25 18.394 -12.806 -4.570 229 H1* A 25 H1' ADE 25 16.488 -10.924 -1.767 230 H8 A 25 8H ADE 25 14.575 -14.080 -2.995 231 1H6 A 25 1H6 ADE 25 11.275 -14.187 0.573 232 2H6 A 25 2H6 ADE 25 10.968 -13.157 1.952 233 H2 A 25 2H ADE 25 14.034 -9.887 1.836 234 2H2* A 25 H2' ADE 25 17.992 -12.778 -1.894 235 2H5* C 26 H5' CYT 26 20.174 -8.764 -1.738 236 H4* C 26 H4' CYT 26 19.408 -7.836 0.262 237 H3* C 26 H3' CYT 26 21.513 -9.489 0.453 238 H1* C 26 H1' CYT 26 18.509 -9.950 2.886 239 1H4 C 26 1H4 CYT 26 15.543 -15.529 0.882 240 2H4 C 26 2H4 CYT 26 14.887 -15.110 2.447 241 H5 C 26 5H CYT 26 17.227 -14.195 -0.240 242 H6 C 26 6H CYT 26 18.615 -12.194 -0.085 243 H3T C 26 H3T CYT 26 21.875 -8.314 2.154 244 2H2* C 26 H2' CYT 26 20.699 -10.867 2.634 245 1H GLU 438 H GLU 438 -28.468 3.748 -11.318 246 HA GLU 438 HA GLU 438 -26.956 4.408 -8.875 247 1HB GLU 438 2HB GLU 438 -29.625 3.293 -9.244 248 2HB GLU 438 1HB GLU 438 -28.618 2.284 -8.215 249 1HG GLU 438 2HG GLU 438 -28.743 3.708 -6.515 250 2HG GLU 438 1HG GLU 438 -28.421 5.101 -7.545 251 H ASP 439 H ASP 439 -27.815 1.867 -11.179 252 HA ASP 439 HA ASP 439 -26.747 -0.030 -11.827 253 1HB ASP 439 2HB ASP 439 -24.644 1.840 -11.132 254 2HB ASP 439 1HB ASP 439 -24.139 0.181 -10.829 255 H SER 440 H SER 440 -27.437 -1.797 -10.814 256 HA SER 440 HA SER 440 -26.389 -2.352 -8.117 257 1HB SER 440 2HB SER 440 -29.151 -2.486 -9.182 258 2HB SER 440 1HB SER 440 -28.659 -3.821 -8.143 259 HG SER 440 HG SER 440 -28.198 -2.353 -6.519 260 H THR 441 H THR 441 -24.640 -3.401 -9.333 261 HA THR 441 HA THR 441 -25.070 -6.208 -9.511 262 HB THR 441 HB THR 441 -25.947 -5.863 -11.671 263 HG1 THR 441 1HG THR 441 -24.564 -7.026 -12.812 264 1HG2 THR 441 1HG2 THR 441 -24.519 -3.481 -11.694 265 2HG2 THR 441 2HG2 THR 441 -25.560 -4.117 -12.967 266 3HG2 THR 441 3HG2 THR 441 -23.827 -4.446 -12.996 267 H THR 442 H THR 442 -22.977 -3.505 -10.441 268 HA THR 442 HA THR 442 -20.626 -5.146 -9.812 269 HB THR 442 HB THR 442 -19.553 -2.880 -10.786 270 HG1 THR 442 1HG THR 442 -21.382 -1.784 -11.256 271 1HG2 THR 442 1HG2 THR 442 -18.964 -4.881 -11.826 272 2HG2 THR 442 2HG2 THR 442 -19.735 -3.928 -13.093 273 3HG2 THR 442 3HG2 THR 442 -20.627 -5.229 -12.301 274 H ASN 443 H ASN 443 -22.644 -3.217 -8.165 275 HA ASN 443 HA ASN 443 -22.516 -2.008 -6.240 276 1HB ASN 443 2HB ASN 443 -20.352 -3.936 -6.133 277 2HB ASN 443 1HB ASN 443 -19.939 -2.470 -5.245 278 1HD2 ASN 443 1HD2 ASN 443 -21.760 -1.655 -3.808 279 2HD2 ASN 443 2HD2 ASN 443 -22.582 -2.852 -2.873 280 H ILE 444 H ILE 444 -21.361 -0.206 -5.139 281 HA ILE 444 HA ILE 444 -19.783 1.343 -7.086 282 HB ILE 444 HB ILE 444 -22.024 2.289 -6.653 283 1HG1 ILE 444 2HG1 ILE 444 -20.579 4.430 -5.415 284 2HG1 ILE 444 1HG1 ILE 444 -19.516 3.609 -6.554 285 1HG2 ILE 444 1HG2 ILE 444 -22.623 1.771 -4.486 286 2HG2 ILE 444 2HG2 ILE 444 -22.211 3.479 -4.354 287 3HG2 ILE 444 3HG2 ILE 444 -21.061 2.253 -3.827 288 1HD1 ILE 444 1HD1 ILE 444 -22.272 4.382 -7.387 289 2HD1 ILE 444 2HD1 ILE 444 -20.823 4.153 -8.367 290 3HD1 ILE 444 3HD1 ILE 444 -20.983 5.585 -7.349 291 H THR 445 H THR 445 -20.055 0.261 -3.790 292 HA THR 445 HA THR 445 -17.596 1.708 -3.085 293 HB THR 445 HB THR 445 -18.471 0.526 -0.760 294 HG1 THR 445 1HG THR 445 -20.798 1.540 -1.990 295 1HG2 THR 445 1HG2 THR 445 -19.761 3.090 -1.191 296 2HG2 THR 445 2HG2 THR 445 -18.054 3.088 -1.633 297 3HG2 THR 445 3HG2 THR 445 -18.546 2.611 -0.008 298 H LYS 446 H LYS 446 -16.416 0.133 -4.423 299 HA LYS 446 HA LYS 446 -16.008 -2.430 -3.030 300 1HB LYS 446 2HB LYS 446 -16.209 -1.721 -5.856 301 2HB LYS 446 1HB LYS 446 -14.779 -2.677 -5.496 302 1HG LYS 446 2HG LYS 446 -16.262 -4.333 -4.368 303 2HG LYS 446 1HG LYS 446 -17.645 -3.411 -4.960 304 1HD LYS 446 2HD LYS 446 -16.997 -3.807 -7.243 305 2HD LYS 446 1HD LYS 446 -15.492 -4.571 -6.729 306 1HE LYS 446 2HE LYS 446 -17.574 -5.933 -5.411 307 2HE LYS 446 1HE LYS 446 -18.087 -5.734 -7.087 308 1HZ LYS 446 1HZ LYS 446 -15.765 -7.187 -6.017 309 2HZ LYS 446 2HZ LYS 446 -15.696 -6.557 -7.586 310 3HZ LYS 446 3HZ LYS 446 -16.896 -7.676 -7.178 311 H LYS 447 H LYS 447 -14.560 0.544 -3.931 312 HA LYS 447 HA LYS 447 -11.860 -0.486 -3.435 313 1HB LYS 447 2HB LYS 447 -12.835 1.386 -5.259 314 2HB LYS 447 1HB LYS 447 -12.026 2.356 -4.037 315 1HG LYS 447 2HG LYS 447 -10.782 0.049 -5.517 316 2HG LYS 447 1HG LYS 447 -10.556 1.755 -5.910 317 1HD LYS 447 2HD LYS 447 -8.829 1.757 -4.506 318 2HD LYS 447 1HD LYS 447 -9.986 1.568 -3.188 319 1HE LYS 447 2HE LYS 447 -8.274 -0.135 -3.036 320 2HE LYS 447 1HE LYS 447 -9.827 -0.874 -3.425 321 1HZ LYS 447 1HZ LYS 447 -8.976 -0.624 -5.848 322 2HZ LYS 447 2HZ LYS 447 -8.430 -1.908 -4.896 323 3HZ LYS 447 3HZ LYS 447 -7.451 -0.549 -5.120 324 H GLN 448 H GLN 448 -11.448 -0.591 -1.312 325 HA GLN 448 HA GLN 448 -12.328 1.614 0.411 326 1HB GLN 448 2HB GLN 448 -12.157 -1.218 0.783 327 2HB GLN 448 1HB GLN 448 -11.083 -0.441 1.938 328 1HG GLN 448 2HG GLN 448 -13.012 1.026 2.590 329 2HG GLN 448 1HG GLN 448 -14.036 -0.008 1.595 330 1HE2 GLN 448 1HE2 GLN 448 -12.642 0.450 4.623 331 2HE2 GLN 448 2HE2 GLN 448 -13.039 -1.081 5.320 332 H LYS 449 H LYS 449 -10.853 3.141 1.011 333 HA LYS 449 HA LYS 449 -8.054 2.651 0.422 334 1HB LYS 449 2HB LYS 449 -7.827 5.095 1.043 335 2HB LYS 449 1HB LYS 449 -8.830 4.743 -0.357 336 1HG LYS 449 2HG LYS 449 -10.674 5.565 0.603 337 2HG LYS 449 1HG LYS 449 -10.298 4.845 2.170 338 1HD LYS 449 2HD LYS 449 -8.452 6.688 2.254 339 2HD LYS 449 1HD LYS 449 -9.454 7.479 1.035 340 1HE LYS 449 2HE LYS 449 -10.898 6.458 3.388 341 2HE LYS 449 1HE LYS 449 -9.773 7.775 3.710 342 1HZ LYS 449 1HZ LYS 449 -11.035 9.241 2.589 343 2HZ LYS 449 2HZ LYS 449 -12.282 8.142 2.906 344 3HZ LYS 449 3HZ LYS 449 -11.502 8.127 1.403 345 H TRP 450 H TRP 450 -6.414 3.515 1.997 346 HA TRP 450 HA TRP 450 -6.489 2.061 4.367 347 1HB TRP 450 2HB TRP 450 -4.738 4.221 3.284 348 2HB TRP 450 1HB TRP 450 -4.564 3.772 4.980 349 HD1 TRP 450 HD TRP 450 -5.295 1.189 2.231 350 HE1 TRP 450 1HE TRP 450 -3.273 -0.391 2.063 351 HE3 TRP 450 3HE TRP 450 -2.121 3.588 5.435 352 HZ2 TRP 450 2HZ TRP 450 -0.671 -0.595 3.147 353 HZ3 TRP 450 3HZ TRP 450 0.112 2.637 5.816 354 HH2 TRP 450 HH TRP 450 0.821 0.592 4.696 355 H THR 451 H THR 451 -5.928 5.544 4.646 356 HA THR 451 HA THR 451 -8.238 6.385 5.876 357 HB THR 451 HB THR 451 -6.959 6.317 8.302 358 HG1 THR 451 1HG THR 451 -6.771 3.652 7.527 359 1HG2 THR 451 1HG2 THR 451 -9.216 4.884 7.110 360 2HG2 THR 451 2HG2 THR 451 -9.094 5.756 8.639 361 3HG2 THR 451 3HG2 THR 451 -8.497 4.100 8.519 362 H VAL 452 H VAL 452 -7.727 8.306 7.461 363 HA VAL 452 HA VAL 452 -5.770 9.945 6.086 364 HB VAL 452 HB VAL 452 -7.545 10.754 8.382 365 1HG1 VAL 452 1HG1 VAL 452 -7.201 12.997 7.599 366 2HG1 VAL 452 2HG1 VAL 452 -6.309 12.418 6.195 367 3HG1 VAL 452 3HG1 VAL 452 -5.627 12.231 7.811 368 1HG2 VAL 452 1HG2 VAL 452 -9.226 10.254 6.961 369 2HG2 VAL 452 2HG2 VAL 452 -8.174 10.263 5.546 370 3HG2 VAL 452 3HG2 VAL 452 -8.774 11.784 6.210 371 H GLU 453 H GLU 453 -6.073 8.240 9.086 372 HA GLU 453 HA GLU 453 -3.886 9.693 10.333 373 1HB GLU 453 2HB GLU 453 -5.749 7.518 11.225 374 2HB GLU 453 1HB GLU 453 -4.290 7.872 12.142 375 1HG GLU 453 2HG GLU 453 -5.276 10.349 11.915 376 2HG GLU 453 1HG GLU 453 -6.778 9.429 11.856 377 H GLU 454 H GLU 454 -4.568 6.344 9.320 378 HA GLU 454 HA GLU 454 -2.165 5.167 9.953 379 1HB GLU 454 2HB GLU 454 -4.058 4.666 7.668 380 2HB GLU 454 1HB GLU 454 -2.639 3.664 7.940 381 1HG GLU 454 2HG GLU 454 -3.593 3.419 10.339 382 2HG GLU 454 1HG GLU 454 -5.103 3.940 9.594 383 H SER 455 H SER 455 -2.947 7.093 7.094 384 HA SER 455 HA SER 455 -0.474 6.598 5.776 385 1HB SER 455 2HB SER 455 -2.681 8.597 5.385 386 2HB SER 455 1HB SER 455 -1.164 8.769 4.504 387 HG SER 455 HG SER 455 -3.167 6.870 4.242 388 H GLU 456 H GLU 456 -1.630 9.191 7.889 389 HA GLU 456 HA GLU 456 0.545 10.924 7.646 390 1HB GLU 456 2HB GLU 456 -1.426 10.406 9.851 391 2HB GLU 456 1HB GLU 456 -0.110 11.544 10.084 392 1HG GLU 456 2HG GLU 456 -1.287 12.185 7.614 393 2HG GLU 456 1HG GLU 456 -2.609 11.914 8.751 394 H TRP 457 H TRP 457 0.114 8.037 9.589 395 HA TRP 457 HA TRP 457 2.384 8.342 11.238 396 1HB TRP 457 2HB TRP 457 1.017 5.791 10.354 397 2HB TRP 457 1HB TRP 457 2.101 5.960 11.731 398 HD1 TRP 457 HD TRP 457 0.566 8.897 12.440 399 HE1 TRP 457 1HE TRP 457 -1.613 8.715 13.798 400 HE3 TRP 457 3HE TRP 457 -0.537 3.984 11.545 401 HZ2 TRP 457 2HZ TRP 457 -3.545 6.749 14.403 402 HZ3 TRP 457 3HZ TRP 457 -2.575 3.035 12.543 403 HH2 TRP 457 HH TRP 457 -4.044 4.388 13.947 404 H VAL 458 H VAL 458 1.904 6.688 8.140 405 HA VAL 458 HA VAL 458 4.525 5.625 7.969 406 HB VAL 458 HB VAL 458 2.574 6.247 5.743 407 1HG1 VAL 458 1HG1 VAL 458 5.270 5.049 5.767 408 2HG1 VAL 458 2HG1 VAL 458 4.410 5.893 4.477 409 3HG1 VAL 458 3HG1 VAL 458 4.053 4.197 4.815 410 1HG2 VAL 458 1HG2 VAL 458 2.890 3.984 7.631 411 2HG2 VAL 458 2HG2 VAL 458 2.477 3.600 5.960 412 3HG2 VAL 458 3HG2 VAL 458 1.431 4.661 6.905 413 H LYS 459 H LYS 459 3.053 8.583 6.674 414 HA LYS 459 HA LYS 459 5.170 9.507 5.140 415 1HB LYS 459 2HB LYS 459 2.915 10.547 5.206 416 2HB LYS 459 1HB LYS 459 3.291 11.207 6.794 417 1HG LYS 459 2HG LYS 459 5.105 12.517 5.828 418 2HG LYS 459 1HG LYS 459 4.749 11.842 4.237 419 1HD LYS 459 2HD LYS 459 2.304 12.787 5.029 420 2HD LYS 459 1HD LYS 459 3.407 13.979 5.718 421 1HE LYS 459 2HE LYS 459 4.442 13.658 3.223 422 2HE LYS 459 1HE LYS 459 2.721 13.433 2.917 423 1HZ LYS 459 1HZ LYS 459 3.581 15.775 2.758 424 2HZ LYS 459 2HZ LYS 459 3.779 15.743 4.438 425 3HZ LYS 459 3HZ LYS 459 2.239 15.556 3.766 426 H ALA 460 H ALA 460 4.537 10.101 8.587 427 HA ALA 460 HA ALA 460 7.008 11.548 8.920 428 1HB ALA 460 1HB ALA 460 6.385 11.771 11.224 429 2HB ALA 460 2HB ALA 460 5.161 10.510 11.065 430 3HB ALA 460 3HB ALA 460 4.954 12.051 10.232 431 H GLY 461 H GLY 461 5.928 8.263 9.261 432 1HA GLY 461 2HA GLY 461 7.933 7.322 11.014 433 2HA GLY 461 1HA GLY 461 7.016 6.337 9.882 434 H VAL 462 H VAL 462 7.908 7.846 7.545 435 HA VAL 462 HA VAL 462 10.458 6.498 7.199 436 HB VAL 462 HB VAL 462 9.010 8.136 5.125 437 1HG1 VAL 462 1HG1 VAL 462 11.468 7.200 4.958 438 2HG1 VAL 462 2HG1 VAL 462 10.373 7.153 3.575 439 3HG1 VAL 462 3HG1 VAL 462 10.627 5.706 4.549 440 1HG2 VAL 462 1HG2 VAL 462 8.439 5.493 4.577 441 2HG2 VAL 462 2HG2 VAL 462 7.326 6.675 5.263 442 3HG2 VAL 462 3HG2 VAL 462 8.235 5.602 6.326 443 H GLN 463 H GLU 463 9.189 9.752 7.425 444 HA GLN 463 HA GLU 463 11.581 11.047 6.543 445 1HB GLN 463 2HB GLU 463 9.107 12.017 7.966 446 2HB GLN 463 1HB GLU 463 10.459 13.084 7.602 447 1HG GLN 463 2HG GLU 463 9.960 11.849 5.192 448 2HG GLN 463 1HG GLU 463 8.352 12.083 5.875 449 H LYS 464 H LYS 464 10.578 9.642 9.505 450 HA LYS 464 HA LYS 464 12.606 11.142 11.007 451 1HB LYS 464 2HB LYS 464 10.135 9.657 11.762 452 2HB LYS 464 1HB LYS 464 11.452 9.708 12.929 453 1HG LYS 464 2HG LYS 464 11.237 12.327 12.121 454 2HG LYS 464 1HG LYS 464 9.563 11.777 12.147 455 1HD LYS 464 2HD LYS 464 9.517 11.729 14.381 456 2HD LYS 464 1HD LYS 464 11.056 10.873 14.471 457 1HE LYS 464 2HE LYS 464 12.288 12.824 14.560 458 2HE LYS 464 1HE LYS 464 11.026 13.777 13.782 459 1HZ LYS 464 1HZ LYS 464 11.541 13.632 16.469 460 2HZ LYS 464 2HZ LYS 464 10.145 12.701 16.270 461 3HZ LYS 464 3HZ LYS 464 10.169 14.308 15.745 462 H TYR 465 H TYR 465 11.491 7.790 10.514 463 HA TYR 465 HA TYR 465 13.977 6.766 11.610 464 1HB TYR 465 2HB TYR 465 11.522 5.378 10.525 465 2HB TYR 465 1HB TYR 465 12.930 4.530 11.154 466 HD1 TYR 465 1HD TYR 465 9.930 6.403 11.990 467 HD2 TYR 465 2HD TYR 465 13.485 4.668 13.558 468 HE1 TYR 465 1HE TYR 465 8.994 6.546 14.260 469 HE2 TYR 465 2HE TYR 465 12.558 4.806 15.830 470 HH TYR 465 HH TYR 465 10.888 6.015 17.068 471 H GLY 466 H GLY 466 12.277 6.829 8.500 472 1HA GLY 466 2HA GLY 466 13.782 7.231 6.556 473 2HA GLY 466 1HA GLY 466 14.801 5.966 7.225 474 H GLU 467 H GLU 467 14.245 5.491 4.756 475 HA GLU 467 HA GLU 467 11.762 4.000 4.494 476 1HB GLU 467 2HB GLU 467 13.031 5.527 2.713 477 2HB GLU 467 1HB GLU 467 13.819 3.999 2.341 478 1HG GLU 467 2HG GLU 467 11.376 3.091 2.252 479 2HG GLU 467 1HG GLU 467 10.965 4.791 2.017 480 H GLY 468 H GLY 468 11.613 1.796 4.185 481 1HA GLY 468 2HA GLY 468 12.483 -0.381 3.844 482 2HA GLY 468 1HA GLY 468 14.078 0.216 4.273 483 H ASN 469 H ASN 469 12.579 1.606 6.626 484 HA ASN 469 HA ASN 469 12.768 -0.727 8.393 485 1HB ASN 469 2HB ASN 469 13.606 2.035 8.621 486 2HB ASN 469 1HB ASN 469 12.569 1.592 9.969 487 1HD2 ASN 469 1HD2 ASN 469 15.616 1.145 8.436 488 2HD2 ASN 469 2HD2 ASN 469 16.333 0.160 9.660 489 H TRP 470 H TRP 470 10.590 -1.317 7.560 490 HA TRP 470 HA TRP 470 8.367 0.298 8.472 491 1HB TRP 470 2HB TRP 470 8.217 -2.494 7.338 492 2HB TRP 470 1HB TRP 470 6.965 -1.259 7.346 493 HD1 TRP 470 HD TRP 470 8.773 -2.863 4.864 494 HE1 TRP 470 1HE TRP 470 9.416 -1.353 2.882 495 HE3 TRP 470 3HE TRP 470 8.118 1.697 7.076 496 HZ2 TRP 470 2HZ TRP 470 9.622 1.409 2.331 497 HZ3 TRP 470 3HZ TRP 470 8.558 3.723 5.753 498 HH2 TRP 470 HH TRP 470 9.297 3.581 3.430 499 H ALA 471 H ALA 471 10.110 -2.549 9.460 500 HA ALA 471 HA ALA 471 8.321 -3.740 11.209 501 1HB ALA 471 1HB ALA 471 11.316 -3.521 11.513 502 2HB ALA 471 2HB ALA 471 10.447 -4.765 10.612 503 3HB ALA 471 3HB ALA 471 10.277 -4.663 12.364 504 H ALA 472 H ALA 472 10.779 -1.279 12.008 505 HA ALA 472 HA ALA 472 10.044 -0.980 14.700 506 1HB ALA 472 1HB ALA 472 11.295 1.119 14.647 507 2HB ALA 472 2HB ALA 472 11.341 1.053 12.886 508 3HB ALA 472 3HB ALA 472 12.179 -0.174 13.836 509 H ILE 473 H ILE 473 9.026 0.822 11.816 510 HA ILE 473 HA ILE 473 7.450 2.740 13.096 511 HB ILE 473 HB ILE 473 6.985 1.524 10.369 512 1HG1 ILE 473 2HG1 ILE 473 8.526 4.022 11.098 513 2HG1 ILE 473 1HG1 ILE 473 9.281 2.467 10.756 514 1HG2 ILE 473 1HG2 ILE 473 5.076 2.816 11.282 515 2HG2 ILE 473 2HG2 ILE 473 5.783 3.537 9.837 516 3HG2 ILE 473 3HG2 ILE 473 6.139 4.216 11.424 517 1HD1 ILE 473 1HD1 ILE 473 7.427 3.423 8.695 518 2HD1 ILE 473 2HD1 ILE 473 9.026 2.694 8.544 519 3HD1 ILE 473 3HD1 ILE 473 8.871 4.409 8.930 520 H SER 474 H SER 474 6.733 -0.568 12.152 521 HA SER 474 HA SER 474 3.930 -0.331 12.810 522 1HB SER 474 2HB SER 474 3.858 -2.761 12.321 523 2HB SER 474 1HB SER 474 4.595 -1.836 11.013 524 HG SER 474 HG SER 474 6.118 -3.079 13.049 525 H LYS 475 H LYS 475 6.743 -0.741 14.598 526 HA LYS 475 HA LYS 475 5.383 -2.266 16.702 527 1HB LYS 475 2HB LYS 475 8.256 -1.752 16.039 528 2HB LYS 475 1HB LYS 475 7.810 -2.164 17.689 529 1HG LYS 475 2HG LYS 475 6.510 -4.107 16.376 530 2HG LYS 475 1HG LYS 475 7.850 -3.833 15.261 531 1HD LYS 475 2HD LYS 475 9.369 -4.702 16.677 532 2HD LYS 475 1HD LYS 475 8.615 -3.970 18.093 533 1HE LYS 475 2HE LYS 475 6.797 -5.895 17.217 534 2HE LYS 475 1HE LYS 475 8.380 -6.656 17.062 535 1HZ LYS 475 1HZ LYS 475 7.396 -7.024 19.248 536 2HZ LYS 475 2HZ LYS 475 7.338 -5.356 19.520 537 3HZ LYS 475 3HZ LYS 475 8.832 -6.134 19.366 538 H ASN 476 H ASN 476 6.021 0.916 15.863 539 HA ASN 476 HA ASN 476 5.926 1.755 18.687 540 1HB ASN 476 2HB ASN 476 7.904 2.374 16.957 541 2HB ASN 476 1HB ASN 476 6.811 3.721 16.660 542 1HD2 ASN 476 1HD2 ASN 476 6.141 4.985 18.518 543 2HD2 ASN 476 2HD2 ASN 476 7.231 5.171 19.845 544 H TYR 477 H TYR 477 4.371 1.922 15.608 545 HA TYR 477 HA TYR 477 2.692 4.158 16.464 546 1HB TYR 477 2HB TYR 477 3.198 2.820 13.836 547 2HB TYR 477 1HB TYR 477 1.703 3.720 14.071 548 HD1 TYR 477 1HD TYR 477 5.343 3.963 13.769 549 HD2 TYR 477 2HD TYR 477 1.729 6.134 14.340 550 HE1 TYR 477 1HE TYR 477 6.529 6.058 13.266 551 HE2 TYR 477 2HE TYR 477 2.905 8.234 13.837 552 HH TYR 477 HH TYR 477 6.318 8.431 13.650 553 HA PRO 478 HA PRO 478 -0.822 1.679 17.410 554 1HB PRO 478 2HB PRO 478 -2.723 3.434 16.127 555 2HB PRO 478 1HB PRO 478 -2.314 3.320 17.837 556 1HG PRO 478 2HG PRO 478 -1.725 5.481 16.258 557 2HG PRO 478 1HG PRO 478 -0.822 5.042 17.719 558 1HD PRO 478 2HD PRO 478 -0.145 4.535 14.848 559 2HD PRO 478 1HD PRO 478 0.916 5.017 16.189 560 H PHE 479 H PHE 479 0.330 0.588 15.136 561 HA PHE 479 HA PHE 479 -1.745 0.271 13.133 562 1HB PHE 479 2HB PHE 479 1.093 -0.680 13.391 563 2HB PHE 479 1HB PHE 479 0.018 -1.392 12.192 564 HD1 PHE 479 1HD PHE 479 -1.076 0.151 10.504 565 HD2 PHE 479 2HD PHE 479 2.172 1.344 12.981 566 HE1 PHE 479 1HE PHE 479 -0.593 2.010 8.969 567 HE2 PHE 479 2HE PHE 479 2.660 3.206 11.449 568 HZ PHE 479 HZ PHE 479 1.278 3.543 9.442 569 H VAL 480 H VAL 480 -2.724 -1.730 12.604 570 HA VAL 480 HA VAL 480 -2.638 -3.731 14.769 571 HB VAL 480 HB VAL 480 -5.056 -3.053 13.091 572 1HG1 VAL 480 1HG1 VAL 480 -6.052 -4.300 15.219 573 2HG1 VAL 480 2HG1 VAL 480 -4.460 -5.054 15.194 574 3HG1 VAL 480 3HG1 VAL 480 -5.512 -5.172 13.784 575 1HG2 VAL 480 1HG2 VAL 480 -4.020 -1.440 15.026 576 2HG2 VAL 480 2HG2 VAL 480 -5.124 -2.449 15.959 577 3HG2 VAL 480 3HG2 VAL 480 -5.727 -1.520 14.588 578 H ASN 481 H ASN 481 -4.016 -3.538 11.481 579 HA ASN 481 HA ASN 481 -2.660 -6.086 10.879 580 1HB ASN 481 2HB ASN 481 -5.438 -5.219 10.509 581 2HB ASN 481 1HB ASN 481 -4.726 -5.937 9.067 582 1HD2 ASN 481 1HD2 ASN 481 -4.540 -8.078 8.947 583 2HD2 ASN 481 2HD2 ASN 481 -4.897 -9.179 10.229 584 H ARG 482 H ARG 482 -0.912 -4.463 10.303 585 HA ARG 482 HA ARG 482 -1.109 -3.919 7.439 586 1HB ARG 482 2HB ARG 482 -1.299 -1.883 9.343 587 2HB ARG 482 1HB ARG 482 0.364 -1.806 8.777 588 1HG ARG 482 2HG ARG 482 -1.008 -0.336 7.465 589 2HG ARG 482 1HG ARG 482 -0.458 -1.677 6.458 590 1HD ARG 482 2HD ARG 482 -2.767 -1.297 5.977 591 2HD ARG 482 1HD ARG 482 -2.644 -2.799 6.891 592 HE ARG 482 HE ARG 482 -3.149 -0.489 8.524 593 1HH1 ARG 482 1HH1 ARG 482 -4.608 -2.994 6.581 594 2HH1 ARG 482 2HH1 ARG 482 -6.137 -2.904 7.390 595 1HH2 ARG 482 1HH2 ARG 482 -5.160 -0.372 9.590 596 2HH2 ARG 482 2HH2 ARG 482 -6.451 -1.415 9.096 597 H THR 483 H THR 483 0.299 -5.603 7.026 598 HA THR 483 HA THR 483 2.770 -5.940 8.402 599 HB THR 483 HB THR 483 3.178 -7.314 6.126 600 HG1 THR 483 1HG THR 483 1.427 -7.605 5.012 601 1HG2 THR 483 1HG2 THR 483 1.137 -8.476 7.944 602 2HG2 THR 483 2HG2 THR 483 2.741 -8.101 8.578 603 3HG2 THR 483 3HG2 THR 483 2.566 -9.218 7.224 604 H ALA 484 H ALA 484 4.865 -6.053 7.051 605 HA ALA 484 HA ALA 484 5.536 -3.430 6.273 606 1HB ALA 484 1HB ALA 484 7.699 -4.366 5.604 607 2HB ALA 484 2HB ALA 484 7.042 -5.995 5.755 608 3HB ALA 484 3HB ALA 484 7.192 -4.968 7.181 609 H VAL 485 H VAL 485 4.257 -6.103 4.495 610 HA VAL 485 HA VAL 485 5.120 -5.326 1.905 611 HB VAL 485 HB VAL 485 2.684 -6.955 2.647 612 1HG1 VAL 485 1HG1 VAL 485 4.211 -6.673 0.064 613 2HG1 VAL 485 2HG1 VAL 485 2.537 -6.214 0.371 614 3HG1 VAL 485 3HG1 VAL 485 2.997 -7.916 0.370 615 1HG2 VAL 485 1HG2 VAL 485 4.193 -8.402 3.453 616 2HG2 VAL 485 2HG2 VAL 485 5.545 -7.565 2.688 617 3HG2 VAL 485 3HG2 VAL 485 4.581 -8.715 1.763 618 H MET 486 H MET 486 2.107 -4.788 3.708 619 HA MET 486 HA MET 486 0.808 -3.332 1.663 620 1HB MET 486 2HB MET 486 0.384 -3.584 4.629 621 2HB MET 486 1HB MET 486 -0.583 -2.472 3.671 622 1HG MET 486 2HG MET 486 -0.703 -4.843 2.253 623 2HG MET 486 1HG MET 486 -0.780 -5.346 3.940 624 1HE MET 486 1HE MET 486 -4.161 -4.331 1.474 625 2HE MET 486 2HE MET 486 -3.598 -5.882 2.100 626 3HE MET 486 3HE MET 486 -2.532 -4.898 1.097 627 H ILE 487 H ILE 487 3.032 -2.426 4.202 628 HA ILE 487 HA ILE 487 2.584 0.395 3.961 629 HB ILE 487 HB ILE 487 4.924 -1.056 5.202 630 1HG1 ILE 487 2HG1 ILE 487 2.625 0.157 6.707 631 2HG1 ILE 487 1HG1 ILE 487 2.500 -1.476 6.062 632 1HG2 ILE 487 1HG2 ILE 487 4.197 1.783 4.941 633 2HG2 ILE 487 2HG2 ILE 487 5.772 1.031 5.192 634 3HG2 ILE 487 3HG2 ILE 487 4.686 1.273 6.559 635 1HD1 ILE 487 1HD1 ILE 487 4.479 -2.121 7.350 636 2HD1 ILE 487 2HD1 ILE 487 3.177 -1.523 8.378 637 3HD1 ILE 487 3HD1 ILE 487 4.562 -0.491 8.017 638 H LYS 488 H LYS 488 4.653 -1.941 2.415 639 HA LYS 488 HA LYS 488 6.484 -0.033 1.320 640 1HB LYS 488 2HB LYS 488 6.531 -2.740 1.625 641 2HB LYS 488 1HB LYS 488 6.163 -2.603 -0.088 642 1HG LYS 488 2HG LYS 488 8.445 -1.113 1.167 643 2HG LYS 488 1HG LYS 488 8.612 -2.768 0.579 644 1HD LYS 488 2HD LYS 488 8.885 -2.018 -1.497 645 2HD LYS 488 1HD LYS 488 7.310 -1.228 -1.433 646 1HE LYS 488 2HE LYS 488 8.539 0.637 -1.748 647 2HE LYS 488 1HE LYS 488 8.765 0.524 -0.003 648 1HZ LYS 488 1HZ LYS 488 10.650 -0.073 -2.165 649 2HZ LYS 488 2HZ LYS 488 10.773 -0.967 -0.734 650 3HZ LYS 488 3HZ LYS 488 10.914 0.719 -0.692 651 H ASP 489 H ASP 489 3.416 -1.363 0.371 652 HA ASP 489 HA ASP 489 3.571 -0.621 -2.381 653 1HB ASP 489 2HB ASP 489 1.999 -2.343 -1.183 654 2HB ASP 489 1HB ASP 489 0.966 -0.940 -0.930 655 H ARG 490 H ARG 490 2.148 0.842 0.513 656 HA ARG 490 HA ARG 490 0.857 2.998 -0.696 657 1HB ARG 490 2HB ARG 490 1.776 2.301 2.005 658 2HB ARG 490 1HB ARG 490 1.698 4.031 1.706 659 1HG ARG 490 2HG ARG 490 -0.642 2.433 0.868 660 2HG ARG 490 1HG ARG 490 -0.370 2.611 2.604 661 1HD ARG 490 2HD ARG 490 -0.586 4.866 0.611 662 2HD ARG 490 1HD ARG 490 -1.848 4.356 1.725 663 HE ARG 490 HE ARG 490 -0.620 5.257 3.509 664 1HH1 ARG 490 1HH1 ARG 490 1.016 5.709 0.450 665 2HH1 ARG 490 2HH1 ARG 490 2.068 6.942 1.058 666 1HH2 ARG 490 1HH2 ARG 490 0.769 6.877 4.298 667 2HH2 ARG 490 2HH2 ARG 490 1.930 7.602 3.239 668 H TRP 491 H TRP 491 4.150 2.823 0.651 669 HA TRP 491 HA TRP 491 4.897 5.454 0.013 670 1HB TRP 491 2HB TRP 491 6.054 3.598 1.492 671 2HB TRP 491 1HB TRP 491 6.926 3.259 -0.001 672 HD1 TRP 491 HD TRP 491 9.209 4.388 0.081 673 HE1 TRP 491 1HE TRP 491 10.131 6.648 0.897 674 HE3 TRP 491 3HE TRP 491 4.900 6.391 1.967 675 HZ2 TRP 491 2HZ TRP 491 9.160 8.972 2.171 676 HZ3 TRP 491 3HZ TRP 491 4.982 8.637 2.967 677 HH2 TRP 491 HH TRP 491 7.070 9.901 3.067 678 H ARG 492 H ARG 492 5.068 2.451 -1.823 679 HA ARG 492 HA ARG 492 6.631 3.437 -3.959 680 1HB ARG 492 2HB ARG 492 5.885 0.986 -3.284 681 2HB ARG 492 1HB ARG 492 4.587 1.312 -4.426 682 1HG ARG 492 2HG ARG 492 6.753 2.104 -5.854 683 2HG ARG 492 1HG ARG 492 7.432 0.787 -4.896 684 1HD ARG 492 2HD ARG 492 5.749 -0.735 -5.700 685 2HD ARG 492 1HD ARG 492 4.912 0.573 -6.537 686 HE ARG 492 HE ARG 492 7.637 0.213 -7.381 687 1HH1 ARG 492 1HH1 ARG 492 4.335 -0.811 -7.856 688 2HH1 ARG 492 2HH1 ARG 492 4.604 -1.357 -9.475 689 1HH2 ARG 492 1HH2 ARG 492 7.994 -0.504 -9.514 690 2HH2 ARG 492 2HH2 ARG 492 6.683 -1.184 -10.417 691 H THR 493 H THR 493 3.216 3.572 -3.243 692 HA THR 493 HA THR 493 2.468 4.458 -5.881 693 HB THR 493 HB THR 493 0.890 4.489 -3.300 694 HG1 THR 493 1HG THR 493 1.065 2.577 -5.381 695 1HG2 THR 493 1HG2 THR 493 -1.089 4.531 -4.705 696 2HG2 THR 493 2HG2 THR 493 -0.075 4.651 -6.144 697 3HG2 THR 493 3HG2 THR 493 -0.095 5.964 -4.966 698 H MET 494 H MET 494 3.339 5.923 -2.840 699 HA MET 494 HA MET 494 2.382 8.541 -3.532 700 1HB MET 494 2HB MET 494 2.745 7.538 -1.176 701 2HB MET 494 1HB MET 494 4.433 7.974 -1.411 702 1HG MET 494 2HG MET 494 3.946 9.985 -0.638 703 2HG MET 494 1HG MET 494 3.006 10.259 -2.103 704 1HE MET 494 1HE MET 494 1.563 10.706 1.931 705 2HE MET 494 2HE MET 494 3.184 10.744 1.237 706 3HE MET 494 3HE MET 494 2.540 9.238 1.890 707 H LYS 495 H LYS 495 5.363 6.768 -3.881 708 HA LYS 495 HA LYS 495 6.883 9.134 -4.598 709 1HB LYS 495 2HB LYS 495 7.621 6.789 -3.463 710 2HB LYS 495 1HB LYS 495 8.011 6.455 -5.144 711 1HG LYS 495 2HG LYS 495 9.214 8.759 -5.041 712 2HG LYS 495 1HG LYS 495 9.174 8.487 -3.297 713 1HD LYS 495 2HD LYS 495 10.540 6.619 -3.431 714 2HD LYS 495 1HD LYS 495 10.167 6.342 -5.133 715 1HE LYS 495 2HE LYS 495 11.373 8.518 -5.607 716 2HE LYS 495 1HE LYS 495 11.939 8.462 -3.938 717 1HZ LYS 495 1HZ LYS 495 13.365 6.797 -4.386 718 2HZ LYS 495 2HZ LYS 495 13.264 7.385 -5.968 719 3HZ LYS 495 3HZ LYS 495 12.341 6.047 -5.503 720 H ARG 496 H ARG 496 5.921 6.108 -6.225 721 HA ARG 496 HA ARG 496 6.836 6.779 -8.775 722 1HB ARG 496 2HB ARG 496 4.633 4.958 -7.832 723 2HB ARG 496 1HB ARG 496 5.012 5.142 -9.539 724 1HG ARG 496 2HG ARG 496 7.270 4.530 -7.732 725 2HG ARG 496 1HG ARG 496 6.087 3.248 -8.007 726 1HD ARG 496 2HD ARG 496 7.178 4.759 -10.338 727 2HD ARG 496 1HD ARG 496 8.167 3.513 -9.582 728 HE ARG 496 HE ARG 496 5.502 2.643 -10.215 729 1HH1 ARG 496 1HH1 ARG 496 8.745 3.043 -11.438 730 2HH1 ARG 496 2HH1 ARG 496 8.567 1.830 -12.661 731 1HH2 ARG 496 1HH2 ARG 496 5.265 1.047 -11.821 732 2HH2 ARG 496 2HH2 ARG 496 6.592 0.695 -12.879 733 H LEU 497 H LEU 497 3.926 7.685 -7.082 734 HA LEU 497 HA LEU 497 3.188 9.379 -9.369 735 1HB LEU 497 2HB LEU 497 1.587 7.370 -7.954 736 2HB LEU 497 1HB LEU 497 0.793 8.925 -8.106 737 HG LEU 497 HG LEU 497 1.489 8.700 -10.631 738 1HD1 LEU 497 1HD1 LEU 497 2.730 6.788 -10.807 739 2HD1 LEU 497 2HD1 LEU 497 1.121 6.144 -11.132 740 3HD1 LEU 497 3HD1 LEU 497 1.838 5.959 -9.532 741 1HD2 LEU 497 1HD2 LEU 497 -0.778 7.238 -9.294 742 2HD2 LEU 497 2HD2 LEU 497 -0.658 7.480 -11.039 743 3HD2 LEU 497 3HD2 LEU 497 -0.789 8.871 -9.963 744 H GLY 498 H GLY 498 4.538 10.895 -8.086 745 1HA GLY 498 2HA GLY 498 3.140 12.905 -6.915 746 2HA GLY 498 1HA GLY 498 3.488 11.831 -5.569 747 H MET 499 H MET 499 5.884 11.116 -5.520 748 HA MET 499 HA MET 499 7.446 13.532 -5.372 749 1HB MET 499 2HB MET 499 8.165 10.660 -4.761 750 2HB MET 499 1HB MET 499 9.198 12.045 -4.435 751 1HG MET 499 2HG MET 499 7.385 12.948 -2.974 752 2HG MET 499 1HG MET 499 6.535 11.418 -3.191 753 1HE MET 499 1HE MET 499 8.103 13.420 -1.126 754 2HE MET 499 2HE MET 499 9.765 12.907 -0.839 755 3HE MET 499 3HE MET 499 8.478 12.371 0.241 756 H ASN 500 H ASN 500 6.761 11.460 -7.855 757 HA ASN 500 HA ASN 500 9.244 12.193 -9.246 758 1HB ASN 500 2HB ASN 500 8.261 9.521 -8.670 759 2HB ASN 500 1HB ASN 500 8.439 9.781 -10.404 760 1HD2 ASN 500 1HD2 ASN 500 10.446 9.969 -11.278 761 2HD2 ASN 500 2HD2 ASN 500 11.907 9.730 -10.385 Start of MODEL 12 1 2H5* G 1 H5' GUA 1 8.862 -14.606 11.324 2 H4* G 1 H4' GUA 1 10.574 -12.725 11.677 3 H3* G 1 H3' GUA 1 8.190 -12.604 10.460 4 H1* G 1 H1' GUA 1 11.363 -11.460 8.499 5 H8 G 1 8H GUA 1 9.871 -14.817 7.324 6 H1 G 1 1H GUA 1 15.113 -12.840 4.201 7 1H2 G 1 1H2 GUA 1 15.159 -10.268 6.516 8 2H2 G 1 2H2 GUA 1 15.911 -11.017 5.124 9 2H2* G 1 H2' GUA 1 9.010 -11.417 8.169 10 H5T G 1 H5T GUA 1 10.427 -16.129 9.894 11 2H5* T 2 H5' THY 2 10.869 -8.348 10.493 12 H4* T 2 H4' THY 2 12.298 -7.332 9.054 13 H3* T 2 H3' THY 2 9.791 -6.417 8.720 14 2H2* T 2 H2' THY 2 9.792 -6.387 6.012 15 H1* T 2 H1' THY 2 11.901 -7.432 5.622 16 H3 T 2 3H THY 2 11.369 -10.594 2.534 17 1H5M T 2 1H7 THY 2 8.895 -13.037 5.961 18 2H5M T 2 2H7 THY 2 7.680 -12.315 4.880 19 3H5M T 2 3H7 THY 2 7.905 -11.670 6.523 20 H6 T 2 6H THY 2 9.412 -9.905 6.829 21 2H5* T 3 H5' THY 3 13.368 -4.028 5.936 22 H4* T 3 H4' THY 3 14.279 -4.270 3.846 23 H3* T 3 H3' THY 3 12.179 -2.588 3.887 24 2H2* T 3 H2' THY 3 10.992 -3.454 1.616 25 H1* T 3 H1' THY 3 12.409 -5.322 1.142 26 H3 T 3 3H THY 3 10.030 -8.994 0.290 27 1H5M T 3 1H7 THY 3 8.477 -8.207 5.039 28 2H5M T 3 2H7 THY 3 7.184 -8.257 3.816 29 3H5M T 3 3H7 THY 3 7.711 -6.698 4.490 30 H6 T 3 6H THY 3 9.997 -5.873 3.896 31 2H5* A 4 H5' ADE 4 14.584 -2.407 -0.847 32 H4* A 4 H4' ADE 4 14.379 -3.694 -2.749 33 H3* A 4 H3' ADE 4 12.705 -1.578 -2.650 34 H1* A 4 H1' ADE 4 11.422 -5.063 -3.740 35 H8 A 4 8H ADE 4 10.233 -4.091 -0.174 36 1H6 A 4 1H6 ADE 4 7.183 -7.824 0.468 37 2H6 A 4 2H6 ADE 4 6.772 -9.215 -0.506 38 H2 A 4 2H ADE 4 9.213 -8.937 -4.260 39 2H2* A 4 H2' ADE 4 10.534 -2.839 -3.663 40 2H5* G 5 H5' GUA 5 13.103 -3.935 -7.063 41 H4* G 5 H4' GUA 5 12.020 -5.446 -8.310 42 H3* G 5 H3' GUA 5 10.846 -3.064 -8.740 43 H1* G 5 H1' GUA 5 8.659 -6.185 -7.980 44 H8 G 5 8H GUA 5 9.002 -3.773 -4.963 45 H1 G 5 1H GUA 5 4.805 -8.576 -4.289 46 1H2 G 5 1H2 GUA 5 5.875 -9.554 -7.430 47 2H2 G 5 2H2 GUA 5 4.827 -9.866 -6.063 48 2H2* G 5 H2' GUA 5 8.281 -3.924 -8.649 49 2H5* G 6 H5' GUA 6 9.069 -6.773 -11.604 50 H4* G 6 H4' GUA 6 7.225 -8.034 -11.773 51 H3* G 6 H3' GUA 6 6.676 -5.629 -12.878 52 H1* G 6 H1' GUA 6 4.193 -7.309 -10.445 53 H8 G 6 8H GUA 6 5.940 -4.227 -8.893 54 H1 G 6 1H GUA 6 1.528 -7.102 -5.233 55 1H2 G 6 1H2 GUA 6 1.332 -9.410 -7.804 56 2H2 G 6 2H2 GUA 6 0.765 -8.905 -6.227 57 2H2* G 6 H2' GUA 6 4.185 -5.367 -11.855 58 2H5* G 7 H5' GUA 7 3.069 -9.182 -14.437 59 H4* G 7 H4' GUA 7 1.172 -10.033 -13.385 60 H3* G 7 H3' GUA 7 0.751 -8.027 -15.124 61 H1* G 7 H1' GUA 7 -0.927 -7.906 -11.619 62 H8 G 7 8H GUA 7 2.191 -5.616 -11.900 63 H1 G 7 1H GUA 7 -1.392 -4.903 -6.627 64 1H2 G 7 1H2 GUA 7 -3.304 -7.468 -7.943 65 2H2 G 7 2H2 GUA 7 -3.061 -6.330 -6.637 66 2H2* G 7 H2' GUA 7 -1.036 -6.642 -13.637 67 2H5* T 8 H5' THY 8 -3.416 -10.062 -13.136 68 H4* T 8 H4' THY 8 -4.889 -9.657 -11.406 69 H3* T 8 H3' THY 8 -5.643 -8.618 -13.785 70 2H2* T 8 H2' THY 8 -6.611 -6.284 -12.793 71 H1* T 8 H1' THY 8 -5.888 -6.507 -10.535 72 H3 T 8 3H THY 8 -4.043 -2.623 -9.387 73 1H5M T 8 1H7 THY 8 -0.367 -4.482 -12.403 74 2H5M T 8 2H7 THY 8 -1.450 -4.083 -13.759 75 3H5M T 8 3H7 THY 8 -0.870 -2.795 -12.675 76 H6 T 8 6H THY 8 -2.913 -5.896 -12.668 77 2H5* T 9 H5' THY 9 -8.913 -8.554 -10.067 78 H4* T 9 H4' THY 9 -9.857 -7.239 -8.521 79 H3* T 9 H3' THY 9 -11.105 -6.746 -10.857 80 2H2* T 9 H2' THY 9 -11.212 -4.053 -10.618 81 H1* T 9 H1' THY 9 -9.897 -3.799 -8.639 82 H3 T 9 3H THY 9 -6.775 -0.661 -9.208 83 1H5M T 9 1H7 THY 9 -5.733 -2.287 -13.426 84 2H5M T 9 2H7 THY 9 -5.052 -3.755 -12.687 85 3H5M T 9 3H7 THY 9 -6.614 -3.830 -13.537 86 H6 T 9 6H THY 9 -7.922 -4.584 -11.668 87 2H5* A 10 H5' ADE 10 -13.230 -4.116 -7.015 88 H4* A 10 H4' ADE 10 -13.072 -1.949 -6.432 89 H3* A 10 H3' ADE 10 -14.867 -2.216 -8.476 90 H1* A 10 H1' ADE 10 -12.264 0.626 -8.315 91 H8 A 10 8H ADE 10 -11.608 -1.825 -11.234 92 1H6 A 10 1H6 ADE 10 -7.854 0.556 -13.201 93 2H6 A 10 2H6 ADE 10 -6.961 1.986 -12.730 94 H2 A 10 2H ADE 10 -8.797 3.458 -8.912 95 2H2* A 10 H2' ADE 10 -14.183 0.132 -9.668 96 2H5* G 11 H5' GUA 11 -16.115 2.505 -5.823 97 H4* G 11 H4' GUA 11 -14.329 4.144 -5.695 98 H3* G 11 H3' GUA 11 -16.581 4.512 -7.199 99 H1* G 11 H1' GUA 11 -13.058 5.424 -8.416 100 H8 G 11 8H GUA 11 -14.209 2.101 -10.062 101 H1 G 11 1H GUA 11 -9.338 5.150 -12.914 102 1H2 G 11 1H2 GUA 11 -9.757 7.519 -10.424 103 2H2 G 11 2H2 GUA 11 -8.871 7.011 -11.845 104 2H2* G 11 H2' GUA 11 -15.299 5.784 -9.225 105 2H5* G 12 H5' GUA 12 -14.193 8.844 -5.657 106 H4* G 12 H4' GUA 12 -12.388 9.956 -6.532 107 H3* G 12 H3' GUA 12 -14.738 11.044 -7.246 108 H1* G 12 H1' GUA 12 -12.022 10.418 -9.948 109 H8 G 12 8H GUA 12 -14.634 7.549 -9.837 110 H1 G 12 1H GUA 12 -11.107 7.973 -15.177 111 1H2 G 12 1H2 GUA 12 -9.654 10.713 -13.640 112 2H2 G 12 2H2 GUA 12 -9.718 9.670 -15.044 113 2H2* G 12 H2' GUA 12 -14.157 11.488 -9.848 114 2H5* G 13 H5' GUA 13 -10.798 14.192 -8.726 115 H4* G 13 H4' GUA 13 -9.449 14.399 -10.654 116 H3* G 13 H3' GUA 13 -11.579 16.016 -10.411 117 H1* G 13 H1' GUA 13 -10.985 14.137 -13.761 118 H8 G 13 8H GUA 13 -13.637 12.404 -11.517 119 H1 G 13 1H GUA 13 -13.364 10.449 -17.619 120 1H2 G 13 1H2 GUA 13 -10.797 12.747 -17.928 121 2H2 G 13 2H2 GUA 13 -11.790 11.532 -18.701 122 H3T G 13 H3T GUA 13 -9.860 16.934 -11.263 123 2H2* G 13 H2' GUA 13 -12.478 15.814 -12.953 124 2H5* C 14 H5' CYT 14 -12.229 7.320 -25.948 125 H4* C 14 H4' CYT 14 -10.877 9.251 -25.109 126 H3* C 14 H3' CYT 14 -10.415 6.649 -24.601 127 H1* C 14 H1' CYT 14 -10.587 9.185 -21.660 128 1H4 C 14 1H4 CYT 14 -16.175 7.675 -18.431 129 2H4 C 14 2H4 CYT 14 -15.369 8.939 -17.529 130 H5 C 14 5H CYT 14 -15.310 6.788 -20.512 131 H6 C 14 6H CYT 14 -13.504 6.936 -22.146 132 2H2* C 14 H2' CYT 14 -10.016 6.885 -21.933 133 H5T C 14 H5T CYT 14 -13.643 7.911 -23.558 134 2H5* C 15 H5' CYT 15 -6.448 9.615 -22.916 135 H4* C 15 H4' CYT 15 -6.053 10.687 -20.927 136 H3* C 15 H3' CYT 15 -5.008 8.209 -21.018 137 H1* C 15 H1' CYT 15 -7.033 9.334 -17.895 138 1H4 C 15 1H4 CYT 15 -12.662 5.845 -18.160 139 2H4 C 15 2H4 CYT 15 -12.584 6.608 -16.588 140 H5 C 15 5H CYT 15 -10.952 6.130 -19.849 141 H6 C 15 6H CYT 15 -8.823 7.202 -20.369 142 2H2* C 15 H2' CYT 15 -5.701 7.455 -18.511 143 2H5* C 16 H5' CYT 16 -3.833 11.029 -17.109 144 H4* C 16 H4' CYT 16 -4.489 11.307 -14.961 145 H3* C 16 H3' CYT 16 -2.421 9.601 -15.086 146 H1* C 16 H1' CYT 16 -5.556 8.635 -12.977 147 1H4 C 16 1H4 CYT 16 -8.492 3.824 -16.469 148 2H4 C 16 2H4 CYT 16 -9.157 3.790 -14.853 149 H5 C 16 5H CYT 16 -6.797 5.410 -17.162 150 H6 C 16 6H CYT 16 -5.398 7.278 -16.441 151 2H2* C 16 H2' CYT 16 -3.372 7.766 -13.331 152 2H5* T 17 H5' THY 17 -3.557 11.395 -10.346 153 H4* T 17 H4' THY 17 -4.994 10.533 -8.832 154 H3* T 17 H3' THY 17 -2.505 9.524 -8.437 155 2H2* T 17 H2' THY 17 -3.314 7.006 -7.839 156 H1* T 17 H1' THY 17 -5.646 7.274 -8.348 157 H3 T 17 3H THY 17 -6.972 3.782 -10.772 158 1H5M T 17 1H7 THY 17 -4.065 5.516 -14.278 159 2H5M T 17 2H7 THY 17 -2.670 5.901 -13.240 160 3H5M T 17 3H7 THY 17 -3.155 4.205 -13.489 161 H6 T 17 6H THY 17 -3.545 7.039 -11.396 162 2H5* A 18 H5' ADE 18 -5.204 8.491 -4.069 163 H4* A 18 H4' ADE 18 -5.993 6.641 -3.076 164 H3* A 18 H3' ADE 18 -3.294 6.526 -3.049 165 H1* A 18 H1' ADE 18 -5.365 3.406 -4.246 166 H8 A 18 8H ADE 18 -3.327 5.250 -6.952 167 1H6 A 18 1H6 ADE 18 -4.475 2.359 -10.686 168 2H6 A 18 2H6 ADE 18 -5.556 0.989 -10.854 169 H2 A 18 2H ADE 18 -7.490 0.364 -6.859 170 2H2* A 18 H2' ADE 18 -3.143 3.857 -3.633 171 2H5* A 19 H5' ADE 19 -6.099 3.137 -0.705 172 H4* A 19 H4' ADE 19 -7.212 1.201 -1.249 173 H3* A 19 H3' ADE 19 -4.880 0.777 -0.012 174 H1* A 19 H1' ADE 19 -5.667 -1.211 -3.256 175 H8 A 19 8H ADE 19 -3.023 1.571 -3.780 176 1H6 A 19 1H6 ADE 19 -2.057 0.590 -8.446 177 2H6 A 19 2H6 ADE 19 -2.733 -0.543 -9.597 178 H2 A 19 2H ADE 19 -5.991 -2.766 -7.464 179 2H2* A 19 H2' ADE 19 -3.945 -1.197 -1.600 180 2H5* C 20 H5' CYT 20 -7.532 -3.642 -0.225 181 H4* C 20 H4' CYT 20 -7.513 -5.572 -1.430 182 H3* C 20 H3' CYT 20 -5.742 -5.671 0.564 183 H1* C 20 H1' CYT 20 -4.515 -6.628 -3.030 184 1H4 C 20 1H4 CYT 20 -0.793 -1.451 -4.841 185 2H4 C 20 2H4 CYT 20 -0.527 -2.731 -6.005 186 H5 C 20 5H CYT 20 -2.307 -1.671 -2.966 187 H6 C 20 6H CYT 20 -3.873 -3.160 -1.832 188 2H2* C 20 H2' CYT 20 -3.649 -6.684 -0.820 189 2H5* C 21 H5' CYT 21 -6.434 -10.278 -1.750 190 H4* C 21 H4' CYT 21 -5.311 -11.243 -3.445 191 H3* C 21 H3' CYT 21 -4.072 -11.834 -1.128 192 H1* C 21 H1' CYT 21 -2.008 -10.617 -4.176 193 1H4 C 21 1H4 CYT 21 0.182 -4.586 -2.514 194 2H4 C 21 2H4 CYT 21 0.873 -4.989 -4.070 195 H5 C 21 5H CYT 21 -1.351 -6.049 -1.336 196 H6 C 21 6H CYT 21 -2.522 -8.186 -1.413 197 2H2* C 21 H2' CYT 21 -1.533 -11.476 -1.995 198 2H5* C 22 H5' CYT 22 -2.092 -14.493 -5.025 199 H4* C 22 H4' CYT 22 -0.241 -14.571 -6.351 200 H3* C 22 H3' CYT 22 0.208 -15.720 -3.967 201 H1* C 22 H1' CYT 22 2.789 -13.165 -5.365 202 1H4 C 22 1H4 CYT 22 2.136 -7.818 -1.501 203 2H4 C 22 2H4 CYT 22 3.523 -7.559 -2.534 204 H5 C 22 5H CYT 22 0.764 -9.810 -1.615 205 H6 C 22 6H CYT 22 0.447 -11.952 -2.739 206 2H2* C 22 H2' CYT 22 2.655 -14.659 -3.511 207 2H5* T 23 H5' THY 23 3.866 -16.117 -7.349 208 H4* T 23 H4' THY 23 5.831 -15.154 -7.853 209 H3* T 23 H3' THY 23 6.266 -17.063 -5.989 210 2H2* T 23 H2' THY 23 8.043 -15.658 -4.506 211 H1* T 23 H1' THY 23 7.870 -13.560 -5.647 212 H3 T 23 3H THY 23 7.487 -10.315 -2.621 213 1H5M T 23 1H7 THY 23 3.032 -13.011 -2.042 214 2H5M T 23 2H7 THY 23 3.739 -12.069 -0.707 215 3H5M T 23 3H7 THY 23 4.103 -13.806 -0.861 216 H6 T 23 6H THY 23 4.906 -14.223 -3.518 217 2H5* A 24 H5' ADE 24 10.615 -15.467 -8.389 218 H4* A 24 H4' ADE 24 12.020 -13.730 -7.965 219 H3* A 24 H3' ADE 24 12.825 -15.975 -6.716 220 H1* A 24 H1' ADE 24 12.730 -12.610 -4.794 221 H8 A 24 8H ADE 24 9.798 -14.967 -3.826 222 1H6 A 24 1H6 ADE 24 8.143 -12.342 -0.084 223 2H6 A 24 2H6 ADE 24 8.617 -10.807 0.606 224 H2 A 24 2H ADE 24 12.074 -9.306 -1.828 225 2H2* A 24 H2' ADE 24 13.505 -14.832 -4.361 226 2H5* A 25 H5' ADE 25 16.735 -12.356 -6.739 227 H4* A 25 H4' ADE 25 16.921 -10.476 -5.369 228 H3* A 25 H3' ADE 25 18.406 -12.626 -4.680 229 H1* A 25 H1' ADE 25 16.412 -10.661 -2.012 230 H8 A 25 8H ADE 25 14.630 -13.981 -2.982 231 1H6 A 25 1H6 ADE 25 11.458 -14.035 0.697 232 2H6 A 25 2H6 ADE 25 11.149 -12.946 2.032 233 H2 A 25 2H ADE 25 14.063 -9.558 1.634 234 2H2* A 25 H2' ADE 25 18.023 -12.435 -2.008 235 2H5* C 26 H5' CYT 26 19.782 -8.308 -2.166 236 H4* C 26 H4' CYT 26 19.017 -7.313 -0.213 237 H3* C 26 H3' CYT 26 21.262 -8.756 0.046 238 H1* C 26 H1' CYT 26 18.365 -9.292 2.593 239 1H4 C 26 1H4 CYT 26 15.865 -15.238 1.066 240 2H4 C 26 2H4 CYT 26 15.227 -14.778 2.628 241 H5 C 26 5H CYT 26 17.377 -13.837 -0.204 242 H6 C 26 6H CYT 26 18.582 -11.715 -0.229 243 H3T C 26 H3T CYT 26 19.802 -7.483 2.126 244 2H2* C 26 H2' CYT 26 20.621 -10.024 2.349 245 1H GLU 438 H GLU 438 -21.218 8.029 -14.024 246 HA GLU 438 HA GLU 438 -19.620 6.823 -11.949 247 1HB GLU 438 2HB GLU 438 -19.191 9.550 -12.604 248 2HB GLU 438 1HB GLU 438 -20.049 9.517 -11.070 249 1HG GLU 438 2HG GLU 438 -18.346 7.995 -10.169 250 2HG GLU 438 1HG GLU 438 -17.475 8.089 -11.700 251 H ASP 439 H ASP 439 -21.230 5.707 -11.038 252 HA ASP 439 HA ASP 439 -23.731 7.123 -10.404 253 1HB ASP 439 2HB ASP 439 -24.668 4.776 -10.144 254 2HB ASP 439 1HB ASP 439 -24.229 5.253 -11.782 255 H SER 440 H SER 440 -23.862 7.778 -8.369 256 HA SER 440 HA SER 440 -22.694 6.072 -6.269 257 1HB SER 440 2HB SER 440 -21.843 8.600 -6.884 258 2HB SER 440 1HB SER 440 -23.018 8.923 -5.609 259 HG SER 440 HG SER 440 -20.588 7.563 -5.499 260 H THR 441 H THR 441 -23.738 6.258 -4.150 261 HA THR 441 HA THR 441 -26.460 7.293 -4.145 262 HB THR 441 HB THR 441 -26.949 4.871 -3.016 263 HG1 THR 441 1HG THR 441 -25.511 3.500 -3.634 264 1HG2 THR 441 1HG2 THR 441 -28.525 4.871 -4.559 265 2HG2 THR 441 2HG2 THR 441 -27.332 4.500 -5.804 266 3HG2 THR 441 3HG2 THR 441 -27.693 6.178 -5.399 267 H THR 442 H THR 442 -24.199 5.264 -2.270 268 HA THR 442 HA THR 442 -25.050 6.651 0.166 269 HB THR 442 HB THR 442 -23.356 4.759 1.072 270 HG1 THR 442 1HG THR 442 -23.742 2.883 -0.213 271 1HG2 THR 442 1HG2 THR 442 -25.773 5.053 1.653 272 2HG2 THR 442 2HG2 THR 442 -25.206 3.383 1.594 273 3HG2 THR 442 3HG2 THR 442 -26.156 4.042 0.261 274 H ASN 443 H ASN 443 -22.790 7.112 -2.146 275 HA ASN 443 HA ASN 443 -20.873 8.332 -2.271 276 1HB ASN 443 2HB ASN 443 -22.183 9.254 0.168 277 2HB ASN 443 1HB ASN 443 -20.433 9.438 0.237 278 1HD2 ASN 443 1HD2 ASN 443 -23.239 10.101 -1.806 279 2HD2 ASN 443 2HD2 ASN 443 -22.618 11.562 -2.485 280 H ILE 444 H ILE 444 -18.942 7.453 -2.382 281 HA ILE 444 HA ILE 444 -17.297 5.879 -2.015 282 HB ILE 444 HB ILE 444 -15.978 6.464 0.071 283 1HG1 ILE 444 2HG1 ILE 444 -17.804 8.842 0.273 284 2HG1 ILE 444 1HG1 ILE 444 -18.143 7.378 1.188 285 1HG2 ILE 444 1HG2 ILE 444 -15.058 7.543 -1.676 286 2HG2 ILE 444 2HG2 ILE 444 -15.762 8.966 -0.907 287 3HG2 ILE 444 3HG2 ILE 444 -16.607 8.174 -2.238 288 1HD1 ILE 444 1HD1 ILE 444 -15.711 7.612 2.012 289 2HD1 ILE 444 2HD1 ILE 444 -16.957 8.660 2.687 290 3HD1 ILE 444 3HD1 ILE 444 -15.860 9.278 1.451 291 H THR 445 H THR 445 -18.193 3.860 -1.820 292 HA THR 445 HA THR 445 -18.071 2.683 0.805 293 HB THR 445 HB THR 445 -20.471 1.646 0.248 294 HG1 THR 445 1HG THR 445 -21.370 2.722 -1.298 295 1HG2 THR 445 1HG2 THR 445 -20.225 4.363 1.511 296 2HG2 THR 445 2HG2 THR 445 -19.863 2.841 2.327 297 3HG2 THR 445 3HG2 THR 445 -21.502 3.174 1.767 298 H LYS 446 H LYS 446 -16.466 2.207 -1.337 299 HA LYS 446 HA LYS 446 -17.139 -0.569 -1.959 300 1HB LYS 446 2HB LYS 446 -16.454 1.535 -4.010 301 2HB LYS 446 1HB LYS 446 -16.319 -0.190 -4.327 302 1HG LYS 446 2HG LYS 446 -18.906 0.755 -3.265 303 2HG LYS 446 1HG LYS 446 -18.494 1.245 -4.909 304 1HD LYS 446 2HD LYS 446 -17.897 -1.274 -5.215 305 2HD LYS 446 1HD LYS 446 -18.925 -1.497 -3.798 306 1HE LYS 446 2HE LYS 446 -20.488 0.121 -5.296 307 2HE LYS 446 1HE LYS 446 -19.633 -0.762 -6.561 308 1HZ LYS 446 1HZ LYS 446 -21.676 -1.881 -5.950 309 2HZ LYS 446 2HZ LYS 446 -21.181 -1.978 -4.337 310 3HZ LYS 446 3HZ LYS 446 -20.343 -2.836 -5.530 311 H LYS 447 H LYS 447 -14.655 1.911 -2.615 312 HA LYS 447 HA LYS 447 -12.604 -0.108 -2.039 313 1HB LYS 447 2HB LYS 447 -12.315 0.878 -4.200 314 2HB LYS 447 1HB LYS 447 -12.491 2.502 -3.549 315 1HG LYS 447 2HG LYS 447 -10.354 2.577 -2.770 316 2HG LYS 447 1HG LYS 447 -10.270 0.834 -2.503 317 1HD LYS 447 2HD LYS 447 -10.323 2.105 -5.236 318 2HD LYS 447 1HD LYS 447 -8.836 1.708 -4.375 319 1HE LYS 447 2HE LYS 447 -10.605 -0.553 -4.379 320 2HE LYS 447 1HE LYS 447 -10.378 0.033 -6.026 321 1HZ LYS 447 1HZ LYS 447 -8.491 -1.114 -5.995 322 2HZ LYS 447 2HZ LYS 447 -8.547 -1.351 -4.321 323 3HZ LYS 447 3HZ LYS 447 -7.870 0.063 -4.950 324 H GLN 448 H GLN 448 -11.891 -0.096 -0.018 325 HA GLN 448 HA GLN 448 -11.956 2.340 1.574 326 1HB GLN 448 2HB GLN 448 -12.457 -0.201 2.282 327 2HB GLN 448 1HB GLN 448 -10.734 -0.159 2.636 328 1HG GLN 448 2HG GLN 448 -11.010 1.134 4.441 329 2HG GLN 448 1HG GLN 448 -12.242 2.131 3.665 330 1HE2 GLN 448 1HE2 GLN 448 -11.616 -0.707 5.558 331 2HE2 GLN 448 2HE2 GLN 448 -13.253 -1.014 6.016 332 H LYS 449 H LYS 449 -10.380 3.438 0.242 333 HA LYS 449 HA LYS 449 -7.722 2.452 0.013 334 1HB LYS 449 2HB LYS 449 -7.226 4.760 -0.823 335 2HB LYS 449 1HB LYS 449 -8.516 3.924 -1.680 336 1HG LYS 449 2HG LYS 449 -10.172 5.259 -0.753 337 2HG LYS 449 1HG LYS 449 -9.133 5.794 0.572 338 1HD LYS 449 2HD LYS 449 -8.307 7.492 -0.629 339 2HD LYS 449 1HD LYS 449 -8.064 6.476 -2.050 340 1HE LYS 449 2HE LYS 449 -10.205 6.874 -2.857 341 2HE LYS 449 1HE LYS 449 -10.814 7.369 -1.278 342 1HZ LYS 449 1HZ LYS 449 -9.000 9.245 -1.664 343 2HZ LYS 449 2HZ LYS 449 -10.593 9.399 -2.208 344 3HZ LYS 449 3HZ LYS 449 -9.377 8.919 -3.281 345 H TRP 450 H TRP 450 -7.376 1.977 2.301 346 HA TRP 450 HA TRP 450 -6.542 2.399 4.388 347 1HB TRP 450 2HB TRP 450 -5.021 3.930 2.392 348 2HB TRP 450 1HB TRP 450 -4.750 4.426 4.060 349 HD1 TRP 450 HD TRP 450 -5.287 0.813 2.801 350 HE1 TRP 450 1HE TRP 450 -3.212 -0.573 3.427 351 HE3 TRP 450 3HE TRP 450 -2.374 4.538 4.750 352 HZ2 TRP 450 2HZ TRP 450 -0.677 -0.148 4.592 353 HZ3 TRP 450 3HZ TRP 450 -0.138 3.964 5.597 354 HH2 TRP 450 HH TRP 450 0.690 1.669 5.518 355 H THR 451 H THR 451 -5.909 4.251 5.999 356 HA THR 451 HA THR 451 -8.132 6.181 6.002 357 HB THR 451 HB THR 451 -7.356 6.136 8.588 358 HG1 THR 451 1HG THR 451 -6.275 4.417 9.051 359 1HG2 THR 451 1HG2 THR 451 -9.223 4.146 7.324 360 2HG2 THR 451 2HG2 THR 451 -9.638 5.764 7.895 361 3HG2 THR 451 3HG2 THR 451 -9.137 4.523 9.043 362 H VAL 452 H VAL 452 -7.659 8.205 7.273 363 HA VAL 452 HA VAL 452 -5.321 9.438 6.198 364 HB VAL 452 HB VAL 452 -6.051 11.462 7.356 365 1HG1 VAL 452 1HG1 VAL 452 -8.502 10.163 6.207 366 2HG1 VAL 452 2HG1 VAL 452 -7.119 10.600 5.204 367 3HG1 VAL 452 3HG1 VAL 452 -7.988 11.848 6.095 368 1HG2 VAL 452 1HG2 VAL 452 -8.549 10.333 8.390 369 2HG2 VAL 452 2HG2 VAL 452 -7.457 11.520 9.101 370 3HG2 VAL 452 3HG2 VAL 452 -7.104 9.800 9.248 371 H GLU 453 H GLU 453 -5.977 7.766 9.118 372 HA GLU 453 HA GLU 453 -4.031 9.087 10.747 373 1HB GLU 453 2HB GLU 453 -5.821 6.750 10.996 374 2HB GLU 453 1HB GLU 453 -4.340 6.666 11.939 375 1HG GLU 453 2HG GLU 453 -5.113 8.100 13.440 376 2HG GLU 453 1HG GLU 453 -5.601 9.250 12.195 377 H GLU 454 H GLU 454 -4.092 6.015 8.959 378 HA GLU 454 HA GLU 454 -1.542 5.118 9.654 379 1HB GLU 454 2HB GLU 454 -3.234 4.647 7.204 380 2HB GLU 454 1HB GLU 454 -1.682 3.854 7.445 381 1HG GLU 454 2HG GLU 454 -2.548 2.917 9.568 382 2HG GLU 454 1HG GLU 454 -4.120 3.621 9.193 383 H SER 455 H SER 455 -2.528 7.583 7.421 384 HA SER 455 HA SER 455 -0.073 7.629 5.941 385 1HB SER 455 2HB SER 455 -2.439 9.490 6.099 386 2HB SER 455 1HB SER 455 -1.006 9.881 5.147 387 HG SER 455 HG SER 455 -2.862 8.686 4.115 388 H GLU 456 H GLU 456 -1.294 9.190 8.813 389 HA GLU 456 HA GLU 456 0.664 11.257 8.914 390 1HB GLU 456 2HB GLU 456 -1.193 10.069 10.965 391 2HB GLU 456 1HB GLU 456 -0.043 11.333 11.375 392 1HG GLU 456 2HG GLU 456 -1.379 12.231 9.086 393 2HG GLU 456 1HG GLU 456 -2.619 11.538 10.131 394 H TRP 457 H TRP 457 0.516 7.951 10.028 395 HA TRP 457 HA TRP 457 2.856 8.137 11.683 396 1HB TRP 457 2HB TRP 457 1.604 5.605 10.625 397 2HB TRP 457 1HB TRP 457 2.565 5.810 12.087 398 HD1 TRP 457 HD TRP 457 0.827 8.503 12.974 399 HE1 TRP 457 1HE TRP 457 -1.461 8.087 14.079 400 HE3 TRP 457 3HE TRP 457 -0.003 3.727 11.351 401 HZ2 TRP 457 2HZ TRP 457 -3.364 6.008 14.242 402 HZ3 TRP 457 3HZ TRP 457 -2.084 2.599 12.021 403 HH2 TRP 457 HH TRP 457 -3.728 3.717 13.437 404 H VAL 458 H VAL 458 2.144 7.132 8.388 405 HA VAL 458 HA VAL 458 4.676 5.939 7.891 406 HB VAL 458 HB VAL 458 2.427 5.706 6.572 407 1HG1 VAL 458 1HG1 VAL 458 3.695 7.698 4.742 408 2HG1 VAL 458 2HG1 VAL 458 2.581 8.236 5.998 409 3HG1 VAL 458 3HG1 VAL 458 2.039 7.093 4.769 410 1HG2 VAL 458 1HG2 VAL 458 4.889 5.844 4.875 411 2HG2 VAL 458 2HG2 VAL 458 3.580 4.661 4.852 412 3HG2 VAL 458 3HG2 VAL 458 4.747 4.661 6.175 413 H LYS 459 H LYS 459 3.539 9.208 7.889 414 HA LYS 459 HA LYS 459 5.640 10.247 6.228 415 1HB LYS 459 2HB LYS 459 3.554 11.518 7.986 416 2HB LYS 459 1HB LYS 459 4.816 12.473 7.221 417 1HG LYS 459 2HG LYS 459 3.930 11.126 5.084 418 2HG LYS 459 1HG LYS 459 2.452 11.161 6.045 419 1HD LYS 459 2HD LYS 459 2.106 13.299 5.529 420 2HD LYS 459 1HD LYS 459 3.719 13.739 6.092 421 1HE LYS 459 2HE LYS 459 4.533 13.855 4.010 422 2HE LYS 459 1HE LYS 459 3.730 12.364 3.521 423 1HZ LYS 459 1HZ LYS 459 1.662 13.640 3.276 424 2HZ LYS 459 2HZ LYS 459 2.884 14.204 2.252 425 3HZ LYS 459 3HZ LYS 459 2.497 15.061 3.657 426 H ALA 460 H ALA 460 4.905 10.590 9.704 427 HA ALA 460 HA ALA 460 7.391 11.783 10.340 428 1HB ALA 460 1HB ALA 460 6.787 11.421 12.666 429 2HB ALA 460 2HB ALA 460 5.501 10.319 12.178 430 3HB ALA 460 3HB ALA 460 5.405 12.031 11.757 431 H GLY 461 H GLY 461 6.315 8.454 10.181 432 1HA GLY 461 2HA GLY 461 8.401 7.255 11.636 433 2HA GLY 461 1HA GLY 461 7.447 6.466 10.388 434 H VAL 462 H VAL 462 8.083 7.515 8.093 435 HA VAL 462 HA VAL 462 10.721 6.598 7.597 436 HB VAL 462 HB VAL 462 8.917 8.188 5.767 437 1HG1 VAL 462 1HG1 VAL 462 11.602 7.242 5.458 438 2HG1 VAL 462 2HG1 VAL 462 10.607 8.158 4.328 439 3HG1 VAL 462 3HG1 VAL 462 10.544 6.396 4.329 440 1HG2 VAL 462 1HG2 VAL 462 8.843 5.583 4.921 441 2HG2 VAL 462 2HG2 VAL 462 7.602 6.381 5.887 442 3HG2 VAL 462 3HG2 VAL 462 8.848 5.413 6.677 443 H GLN 463 H GLU 463 9.513 9.632 8.584 444 HA GLN 463 HA GLU 463 11.555 11.240 7.373 445 1HB GLN 463 2HB GLU 463 9.318 12.127 7.989 446 2HB GLN 463 1HB GLU 463 9.733 11.920 9.686 447 1HG GLN 463 2HG GLU 463 11.731 13.433 9.192 448 2HG GLN 463 1HG GLU 463 10.891 13.833 7.694 449 H LYS 464 H LYS 464 11.092 9.710 10.519 450 HA LYS 464 HA LYS 464 13.651 10.820 11.422 451 1HB LYS 464 2HB LYS 464 13.012 10.151 13.649 452 2HB LYS 464 1HB LYS 464 11.683 11.035 12.914 453 1HG LYS 464 2HG LYS 464 10.390 9.111 12.653 454 2HG LYS 464 1HG LYS 464 11.776 8.040 12.858 455 1HD LYS 464 2HD LYS 464 11.306 7.882 15.025 456 2HD LYS 464 1HD LYS 464 11.590 9.613 15.199 457 1HE LYS 464 2HE LYS 464 8.982 8.953 14.051 458 2HE LYS 464 1HE LYS 464 9.219 8.329 15.683 459 1HZ LYS 464 1HZ LYS 464 10.036 11.082 15.258 460 2HZ LYS 464 2HZ LYS 464 9.215 10.383 16.562 461 3HZ LYS 464 3HZ LYS 464 8.372 10.793 15.155 462 H TYR 465 H TYR 465 12.096 7.798 10.599 463 HA TYR 465 HA TYR 465 14.437 6.281 11.465 464 1HB TYR 465 2HB TYR 465 11.720 5.438 10.460 465 2HB TYR 465 1HB TYR 465 13.026 4.298 10.762 466 HD1 TYR 465 1HD TYR 465 10.294 6.073 12.194 467 HD2 TYR 465 2HD TYR 465 14.029 4.269 13.135 468 HE1 TYR 465 1HE TYR 465 9.635 5.959 14.559 469 HE2 TYR 465 2HE TYR 465 13.380 4.148 15.504 470 HH TYR 465 HH TYR 465 11.078 4.062 16.781 471 H GLY 466 H GLY 466 12.549 6.898 8.518 472 1HA GLY 466 2HA GLY 466 13.843 7.353 6.481 473 2HA GLY 466 1HA GLY 466 14.923 6.058 6.972 474 H GLU 467 H GLU 467 14.219 5.663 4.564 475 HA GLU 467 HA GLU 467 11.683 4.268 4.345 476 1HB GLU 467 2HB GLU 467 13.095 5.743 2.562 477 2HB GLU 467 1HB GLU 467 13.620 4.124 2.116 478 1HG GLU 467 2HG GLU 467 11.120 3.548 2.071 479 2HG GLU 467 1HG GLU 467 10.868 5.295 2.048 480 H GLY 468 H GLY 468 11.417 2.081 4.007 481 1HA GLY 468 2HA GLY 468 12.139 -0.136 3.647 482 2HA GLY 468 1HA GLY 468 13.789 0.373 3.964 483 H ASN 469 H ASN 469 12.529 1.830 6.419 484 HA ASN 469 HA ASN 469 12.751 -0.511 8.169 485 1HB ASN 469 2HB ASN 469 13.775 2.149 8.313 486 2HB ASN 469 1HB ASN 469 12.687 1.909 9.677 487 1HD2 ASN 469 1HD2 ASN 469 13.232 0.491 11.278 488 2HD2 ASN 469 2HD2 ASN 469 14.785 -0.255 11.397 489 H TRP 470 H TRP 470 10.481 -0.969 7.374 490 HA TRP 470 HA TRP 470 8.403 0.664 8.575 491 1HB TRP 470 2HB TRP 470 7.918 -1.973 7.221 492 2HB TRP 470 1HB TRP 470 6.864 -0.567 7.312 493 HD1 TRP 470 HD TRP 470 9.289 -2.241 5.063 494 HE1 TRP 470 1HE TRP 470 9.790 -0.758 3.020 495 HE3 TRP 470 3HE TRP 470 7.198 2.129 6.696 496 HZ2 TRP 470 2HZ TRP 470 9.359 1.910 2.208 497 HZ3 TRP 470 3HZ TRP 470 7.285 4.100 5.226 498 HH2 TRP 470 HH TRP 470 8.343 3.992 3.029 499 H ALA 471 H ALA 471 9.944 -2.448 9.048 500 HA ALA 471 HA ALA 471 8.233 -3.714 10.782 501 1HB ALA 471 1HB ALA 471 10.222 -4.819 11.745 502 2HB ALA 471 2HB ALA 471 11.248 -3.662 10.900 503 3HB ALA 471 3HB ALA 471 10.244 -4.786 9.982 504 H ALA 472 H ALA 472 10.734 -1.331 11.640 505 HA ALA 472 HA ALA 472 10.202 -1.363 14.418 506 1HB ALA 472 1HB ALA 472 11.443 0.846 12.777 507 2HB ALA 472 2HB ALA 472 12.307 -0.518 13.492 508 3HB ALA 472 3HB ALA 472 11.528 0.676 14.530 509 H ILE 473 H ILE 473 8.912 0.556 11.759 510 HA ILE 473 HA ILE 473 7.558 2.492 13.264 511 HB ILE 473 HB ILE 473 6.733 1.348 10.593 512 1HG1 ILE 473 2HG1 ILE 473 8.377 3.822 11.129 513 2HG1 ILE 473 1HG1 ILE 473 9.091 2.256 10.765 514 1HG2 ILE 473 1HG2 ILE 473 6.151 4.148 11.077 515 2HG2 ILE 473 2HG2 ILE 473 5.344 3.091 12.235 516 3HG2 ILE 473 3HG2 ILE 473 5.094 2.856 10.504 517 1HD1 ILE 473 1HD1 ILE 473 7.105 2.891 8.806 518 2HD1 ILE 473 2HD1 ILE 473 8.833 2.603 8.597 519 3HD1 ILE 473 3HD1 ILE 473 8.248 4.226 8.965 520 H SER 474 H SER 474 6.298 -0.530 11.847 521 HA SER 474 HA SER 474 3.748 -0.334 13.035 522 1HB SER 474 2HB SER 474 5.289 -2.658 11.885 523 2HB SER 474 1HB SER 474 3.657 -2.837 12.531 524 HG SER 474 HG SER 474 3.068 -1.121 11.025 525 H LYS 475 H LYS 475 6.775 -1.139 14.370 526 HA LYS 475 HA LYS 475 5.665 -2.753 16.516 527 1HB LYS 475 2HB LYS 475 8.085 -2.789 15.281 528 2HB LYS 475 1HB LYS 475 8.462 -1.839 16.711 529 1HG LYS 475 2HG LYS 475 7.743 -3.607 18.153 530 2HG LYS 475 1HG LYS 475 7.134 -4.537 16.783 531 1HD LYS 475 2HD LYS 475 9.143 -5.423 16.403 532 2HD LYS 475 1HD LYS 475 9.902 -3.830 16.390 533 1HE LYS 475 2HE LYS 475 9.312 -4.346 19.072 534 2HE LYS 475 1HE LYS 475 9.935 -5.865 18.433 535 1HZ LYS 475 1HZ LYS 475 11.409 -3.467 17.707 536 2HZ LYS 475 2HZ LYS 475 11.980 -5.001 18.130 537 3HZ LYS 475 3HZ LYS 475 11.491 -3.922 19.335 538 H ASN 476 H ASN 476 6.432 0.544 15.898 539 HA ASN 476 HA ASN 476 6.227 1.151 18.773 540 1HB ASN 476 2HB ASN 476 8.290 1.835 17.245 541 2HB ASN 476 1HB ASN 476 7.235 3.187 16.846 542 1HD2 ASN 476 1HD2 ASN 476 8.798 1.484 19.493 543 2HD2 ASN 476 2HD2 ASN 476 8.847 2.829 20.574 544 H TYR 477 H TYR 477 4.790 1.629 15.669 545 HA TYR 477 HA TYR 477 3.071 3.767 16.700 546 1HB TYR 477 2HB TYR 477 3.759 2.794 13.953 547 2HB TYR 477 1HB TYR 477 2.241 3.648 14.205 548 HD1 TYR 477 1HD TYR 477 5.913 3.944 14.371 549 HD2 TYR 477 2HD TYR 477 2.196 6.006 14.591 550 HE1 TYR 477 1HE TYR 477 7.101 6.091 14.222 551 HE2 TYR 477 2HE TYR 477 3.374 8.158 14.441 552 HH TYR 477 HH TYR 477 6.552 8.453 13.473 553 HA PRO 478 HA PRO 478 -0.460 1.179 17.199 554 1HB PRO 478 2HB PRO 478 -2.494 2.784 16.437 555 2HB PRO 478 1HB PRO 478 -1.561 3.080 17.905 556 1HG PRO 478 2HG PRO 478 -1.290 4.348 15.209 557 2HG PRO 478 1HG PRO 478 -1.287 5.117 16.807 558 1HD PRO 478 2HD PRO 478 0.988 4.589 15.436 559 2HD PRO 478 1HD PRO 478 0.911 4.551 17.210 560 H PHE 479 H PHE 479 0.776 0.316 14.934 561 HA PHE 479 HA PHE 479 -1.139 0.377 12.745 562 1HB PHE 479 2HB PHE 479 1.699 -0.321 13.059 563 2HB PHE 479 1HB PHE 479 0.812 -1.382 11.968 564 HD1 PHE 479 1HD PHE 479 -0.616 -0.216 10.149 565 HD2 PHE 479 2HD PHE 479 2.542 1.682 12.279 566 HE1 PHE 479 1HE PHE 479 -0.421 1.458 8.358 567 HE2 PHE 479 2HE PHE 479 2.745 3.360 10.490 568 HZ PHE 479 HZ PHE 479 1.260 3.250 8.526 569 H VAL 480 H VAL 480 -2.223 -1.447 11.944 570 HA VAL 480 HA VAL 480 -1.918 -4.019 13.191 571 HB VAL 480 HB VAL 480 -4.384 -4.094 13.857 572 1HG1 VAL 480 1HG1 VAL 480 -2.736 -2.252 15.564 573 2HG1 VAL 480 2HG1 VAL 480 -2.349 -3.963 15.382 574 3HG1 VAL 480 3HG1 VAL 480 -3.898 -3.478 16.071 575 1HG2 VAL 480 1HG2 VAL 480 -4.984 -1.964 12.733 576 2HG2 VAL 480 2HG2 VAL 480 -4.033 -1.100 13.941 577 3HG2 VAL 480 3HG2 VAL 480 -5.457 -2.017 14.433 578 H ASN 481 H ASN 481 -3.005 -5.681 12.071 579 HA ASN 481 HA ASN 481 -3.751 -6.719 10.182 580 1HB ASN 481 2HB ASN 481 -5.733 -4.908 11.038 581 2HB ASN 481 1HB ASN 481 -5.668 -4.760 9.285 582 1HD2 ASN 481 1HD2 ASN 481 -6.779 -6.572 11.899 583 2HD2 ASN 481 2HD2 ASN 481 -7.390 -7.929 11.020 584 H ARG 482 H ARG 482 -1.606 -4.644 9.941 585 HA ARG 482 HA ARG 482 -1.730 -4.390 7.029 586 1HB ARG 482 2HB ARG 482 -1.965 -2.206 8.852 587 2HB ARG 482 1HB ARG 482 -0.417 -2.069 8.030 588 1HG ARG 482 2HG ARG 482 -1.790 -0.890 6.627 589 2HG ARG 482 1HG ARG 482 -1.829 -2.491 5.884 590 1HD ARG 482 2HD ARG 482 -4.067 -1.576 5.998 591 2HD ARG 482 1HD ARG 482 -3.928 -2.969 7.071 592 HE ARG 482 HE ARG 482 -3.447 -0.464 8.388 593 1HH1 ARG 482 1HH1 ARG 482 -5.907 -2.718 7.359 594 2HH1 ARG 482 2HH1 ARG 482 -7.055 -2.200 8.550 595 1HH2 ARG 482 1HH2 ARG 482 -4.955 0.218 9.951 596 2HH2 ARG 482 2HH2 ARG 482 -6.514 -0.532 10.021 597 H THR 483 H THR 483 -0.161 -5.882 6.654 598 HA THR 483 HA THR 483 2.214 -6.127 8.179 599 HB THR 483 HB THR 483 2.933 -7.344 5.920 600 HG1 THR 483 1HG THR 483 0.323 -7.970 5.549 601 1HG2 THR 483 1HG2 THR 483 0.729 -8.554 7.565 602 2HG2 THR 483 2HG2 THR 483 2.392 -8.409 8.135 603 3HG2 THR 483 3HG2 THR 483 2.031 -9.373 6.702 604 H ALA 484 H ALA 484 4.420 -6.001 7.044 605 HA ALA 484 HA ALA 484 4.956 -3.294 6.457 606 1HB ALA 484 1HB ALA 484 6.623 -4.778 7.463 607 2HB ALA 484 2HB ALA 484 7.239 -4.013 5.997 608 3HB ALA 484 3HB ALA 484 6.716 -5.693 5.959 609 H VAL 485 H VAL 485 3.944 -5.891 4.457 610 HA VAL 485 HA VAL 485 5.047 -4.979 1.999 611 HB VAL 485 HB VAL 485 2.618 -6.725 2.432 612 1HG1 VAL 485 1HG1 VAL 485 2.409 -6.770 0.223 613 2HG1 VAL 485 2HG1 VAL 485 4.066 -7.356 0.068 614 3HG1 VAL 485 3HG1 VAL 485 3.739 -5.623 0.070 615 1HG2 VAL 485 1HG2 VAL 485 4.673 -8.371 1.670 616 2HG2 VAL 485 2HG2 VAL 485 4.094 -8.155 3.321 617 3HG2 VAL 485 3HG2 VAL 485 5.479 -7.227 2.742 618 H MET 486 H MET 486 1.978 -4.444 3.667 619 HA MET 486 HA MET 486 0.752 -3.026 1.522 620 1HB MET 486 2HB MET 486 0.141 -3.306 4.453 621 2HB MET 486 1HB MET 486 -0.785 -2.218 3.430 622 1HG MET 486 2HG MET 486 -1.306 -4.154 1.957 623 2HG MET 486 1HG MET 486 -0.512 -5.198 3.137 624 1HE MET 486 1HE MET 486 -3.292 -4.810 1.706 625 2HE MET 486 2HE MET 486 -4.293 -3.577 2.476 626 3HE MET 486 3HE MET 486 -4.527 -5.281 2.874 627 H ILE 487 H ILE 487 2.162 -1.945 4.611 628 HA ILE 487 HA ILE 487 1.884 0.791 4.238 629 HB ILE 487 HB ILE 487 4.173 -0.569 5.661 630 1HG1 ILE 487 2HG1 ILE 487 1.889 0.420 7.231 631 2HG1 ILE 487 1HG1 ILE 487 1.513 -0.950 6.194 632 1HG2 ILE 487 1HG2 ILE 487 4.395 1.875 5.225 633 2HG2 ILE 487 2HG2 ILE 487 4.373 1.443 6.935 634 3HG2 ILE 487 3HG2 ILE 487 2.934 2.127 6.178 635 1HD1 ILE 487 1HD1 ILE 487 2.174 -2.088 8.025 636 2HD1 ILE 487 2HD1 ILE 487 3.230 -0.792 8.586 637 3HD1 ILE 487 3HD1 ILE 487 3.760 -1.865 7.291 638 H LYS 488 H LYS 488 4.234 -1.421 2.911 639 HA LYS 488 HA LYS 488 6.066 0.601 2.037 640 1HB LYS 488 2HB LYS 488 6.545 -1.890 2.474 641 2HB LYS 488 1HB LYS 488 5.862 -2.169 0.877 642 1HG LYS 488 2HG LYS 488 7.773 -0.070 0.687 643 2HG LYS 488 1HG LYS 488 8.500 -1.420 1.560 644 1HD LYS 488 2HD LYS 488 8.687 -2.617 -0.311 645 2HD LYS 488 1HD LYS 488 6.988 -2.360 -0.712 646 1HE LYS 488 2HE LYS 488 7.867 0.033 -1.386 647 2HE LYS 488 1HE LYS 488 9.398 -0.824 -1.548 648 1HZ LYS 488 1HZ LYS 488 6.978 -1.029 -3.154 649 2HZ LYS 488 2HZ LYS 488 7.819 -2.471 -2.877 650 3HZ LYS 488 3HZ LYS 488 8.600 -1.165 -3.617 651 H ASP 489 H ASP 489 3.277 -1.009 0.679 652 HA ASP 489 HA ASP 489 3.706 -0.228 -2.018 653 1HB ASP 489 2HB ASP 489 1.602 -1.549 -0.473 654 2HB ASP 489 1HB ASP 489 0.971 -0.536 -1.768 655 H ARG 490 H ARG 490 2.128 1.271 0.732 656 HA ARG 490 HA ARG 490 0.783 3.311 -0.692 657 1HB ARG 490 2HB ARG 490 0.736 2.462 1.877 658 2HB ARG 490 1HB ARG 490 1.710 3.917 2.050 659 1HG ARG 490 2HG ARG 490 -0.556 4.494 0.408 660 2HG ARG 490 1HG ARG 490 -1.091 3.705 1.894 661 1HD ARG 490 2HD ARG 490 0.698 5.439 2.908 662 2HD ARG 490 1HD ARG 490 0.175 6.344 1.488 663 HE ARG 490 HE ARG 490 -1.288 5.972 3.877 664 1HH1 ARG 490 1HH1 ARG 490 -1.706 6.116 0.415 665 2HH1 ARG 490 2HH1 ARG 490 -3.347 6.660 0.509 666 1HH2 ARG 490 1HH2 ARG 490 -3.447 6.688 4.003 667 2HH2 ARG 490 2HH2 ARG 490 -4.336 6.986 2.545 668 H TRP 491 H TRP 491 3.826 3.384 1.163 669 HA TRP 491 HA TRP 491 4.521 6.021 0.493 670 1HB TRP 491 2HB TRP 491 5.509 4.474 2.310 671 2HB TRP 491 1HB TRP 491 6.554 3.867 1.028 672 HD1 TRP 491 HD TRP 491 8.813 5.041 0.941 673 HE1 TRP 491 1HE TRP 491 9.723 7.361 1.585 674 HE3 TRP 491 3HE TRP 491 4.463 7.207 2.528 675 HZ2 TRP 491 2HZ TRP 491 8.728 9.789 2.629 676 HZ3 TRP 491 3HZ TRP 491 4.528 9.531 3.336 677 HH2 TRP 491 HH TRP 491 6.618 10.793 3.386 678 H ARG 492 H ARG 492 5.029 2.978 -1.162 679 HA ARG 492 HA ARG 492 6.925 3.959 -3.047 680 1HB ARG 492 2HB ARG 492 6.387 1.511 -2.375 681 2HB ARG 492 1HB ARG 492 5.100 1.630 -3.567 682 1HG ARG 492 2HG ARG 492 7.833 2.432 -4.393 683 2HG ARG 492 1HG ARG 492 7.497 0.712 -4.180 684 1HD ARG 492 2HD ARG 492 5.520 2.291 -5.720 685 2HD ARG 492 1HD ARG 492 7.082 2.000 -6.486 686 HE ARG 492 HE ARG 492 6.372 -0.457 -5.634 687 1HH1 ARG 492 1HH1 ARG 492 4.693 1.973 -7.496 688 2HH1 ARG 492 2HH1 ARG 492 3.755 0.819 -8.386 689 1HH2 ARG 492 1HH2 ARG 492 5.140 -1.970 -6.803 690 2HH2 ARG 492 2HH2 ARG 492 4.008 -1.418 -7.991 691 H THR 493 H THR 493 3.430 3.801 -2.931 692 HA THR 493 HA THR 493 3.029 4.449 -5.687 693 HB THR 493 HB THR 493 1.130 4.673 -3.344 694 HG1 THR 493 1HG THR 493 0.424 2.650 -4.017 695 1HG2 THR 493 1HG2 THR 493 -0.136 4.062 -5.827 696 2HG2 THR 493 2HG2 THR 493 0.778 5.563 -5.980 697 3HG2 THR 493 3HG2 THR 493 -0.440 5.396 -4.716 698 H MET 494 H MET 494 3.380 6.272 -2.723 699 HA MET 494 HA MET 494 2.491 8.757 -3.855 700 1HB MET 494 2HB MET 494 2.792 7.840 -1.302 701 2HB MET 494 1HB MET 494 4.210 8.866 -1.469 702 1HG MET 494 2HG MET 494 3.007 10.756 -1.464 703 2HG MET 494 1HG MET 494 1.707 10.056 -2.428 704 1HE MET 494 1HE MET 494 1.663 11.522 1.444 705 2HE MET 494 2HE MET 494 3.145 11.152 0.564 706 3HE MET 494 3HE MET 494 2.617 10.105 1.883 707 H LYS 495 H LYS 495 5.522 7.074 -3.549 708 HA LYS 495 HA LYS 495 7.080 9.415 -4.277 709 1HB LYS 495 2HB LYS 495 7.686 7.283 -2.741 710 2HB LYS 495 1HB LYS 495 8.338 6.734 -4.278 711 1HG LYS 495 2HG LYS 495 9.815 8.586 -4.412 712 2HG LYS 495 1HG LYS 495 9.021 9.396 -3.059 713 1HD LYS 495 2HD LYS 495 10.116 8.163 -1.513 714 2HD LYS 495 1HD LYS 495 10.053 6.697 -2.493 715 1HE LYS 495 2HE LYS 495 11.758 8.732 -3.667 716 2HE LYS 495 1HE LYS 495 12.273 8.287 -2.041 717 1HZ LYS 495 1HZ LYS 495 12.078 6.601 -4.447 718 2HZ LYS 495 2HZ LYS 495 11.987 5.894 -2.913 719 3HZ LYS 495 3HZ LYS 495 13.365 6.766 -3.361 720 H ARG 496 H ARG 496 5.374 6.988 -5.901 721 HA ARG 496 HA ARG 496 7.109 6.927 -8.223 722 1HB ARG 496 2HB ARG 496 5.575 5.013 -7.283 723 2HB ARG 496 1HB ARG 496 4.328 5.821 -8.226 724 1HG ARG 496 2HG ARG 496 6.469 5.617 -9.972 725 2HG ARG 496 1HG ARG 496 6.480 4.090 -9.086 726 1HD ARG 496 2HD ARG 496 4.165 3.700 -9.664 727 2HD ARG 496 1HD ARG 496 4.065 5.274 -10.452 728 HE ARG 496 HE ARG 496 6.124 3.892 -11.687 729 1HH1 ARG 496 1HH1 ARG 496 2.677 3.535 -11.264 730 2HH1 ARG 496 2HH1 ARG 496 2.455 2.692 -12.759 731 1HH2 ARG 496 1HH2 ARG 496 5.831 2.783 -13.656 732 2HH2 ARG 496 2HH2 ARG 496 4.244 2.264 -14.117 733 H LEU 497 H LEU 497 4.002 8.308 -7.274 734 HA LEU 497 HA LEU 497 4.153 10.058 -9.631 735 1HB LEU 497 2HB LEU 497 1.919 8.298 -8.771 736 2HB LEU 497 1HB LEU 497 1.496 9.886 -9.379 737 HG LEU 497 HG LEU 497 3.379 8.326 -11.044 738 1HD1 LEU 497 1HD1 LEU 497 0.503 7.632 -11.329 739 2HD1 LEU 497 2HD1 LEU 497 1.446 6.807 -10.087 740 3HD1 LEU 497 3HD1 LEU 497 1.940 6.713 -11.777 741 1HD2 LEU 497 1HD2 LEU 497 1.215 10.326 -11.363 742 2HD2 LEU 497 2HD2 LEU 497 1.498 9.212 -12.699 743 3HD2 LEU 497 3HD2 LEU 497 2.807 10.244 -12.119 744 H GLY 498 H GLY 498 5.064 11.581 -8.122 745 1HA GLY 498 2HA GLY 498 3.462 13.592 -7.286 746 2HA GLY 498 1HA GLY 498 3.441 12.499 -5.910 747 H MET 499 H MET 499 5.701 11.774 -5.199 748 HA MET 499 HA MET 499 7.231 14.161 -4.698 749 1HB MET 499 2HB MET 499 7.557 11.294 -3.814 750 2HB MET 499 1HB MET 499 8.674 12.571 -3.355 751 1HG MET 499 2HG MET 499 6.547 13.783 -2.507 752 2HG MET 499 1HG MET 499 5.826 12.177 -2.555 753 1HE MET 499 1HE MET 499 6.198 14.233 -0.229 754 2HE MET 499 2HE MET 499 6.956 13.461 1.163 755 3HE MET 499 3HE MET 499 5.531 12.733 0.419 756 H ASN 500 H ASN 500 7.184 12.089 -7.256 757 HA ASN 500 HA ASN 500 10.081 12.154 -7.689 758 1HB ASN 500 2HB ASN 500 8.262 10.155 -8.139 759 2HB ASN 500 1HB ASN 500 8.406 10.871 -9.739 760 1HD2 ASN 500 1HD2 ASN 500 10.135 10.408 -10.943 761 2HD2 ASN 500 2HD2 ASN 500 11.497 9.489 -10.408 Start of MODEL 13 1 2H5* G 1 H5' GUA 1 8.826 -14.738 11.324 2 H4* G 1 H4' GUA 1 10.485 -12.837 11.675 3 H3* G 1 H3' GUA 1 8.106 -12.730 10.457 4 H1* G 1 H1' GUA 1 11.264 -11.516 8.506 5 H8 G 1 8H GUA 1 9.811 -14.878 7.297 6 H1 G 1 1H GUA 1 15.059 -12.837 4.223 7 1H2 G 1 1H2 GUA 1 15.072 -10.285 6.558 8 2H2 G 1 2H2 GUA 1 15.836 -11.016 5.165 9 2H2* G 1 H2' GUA 1 8.909 -11.506 8.178 10 H5T G 1 H5T GUA 1 10.426 -16.155 9.768 11 2H5* T 2 H5' THY 2 10.732 -8.434 10.558 12 H4* T 2 H4' THY 2 12.149 -7.390 9.132 13 H3* T 2 H3' THY 2 9.633 -6.507 8.777 14 2H2* T 2 H2' THY 2 9.660 -6.469 6.070 15 H1* T 2 H1' THY 2 11.786 -7.488 5.695 16 H3 T 2 3H THY 2 11.359 -10.679 2.621 17 1H5M T 2 1H7 THY 2 8.783 -13.111 5.967 18 2H5M T 2 2H7 THY 2 7.592 -12.369 4.872 19 3H5M T 2 3H7 THY 2 7.791 -11.743 6.524 20 H6 T 2 6H THY 2 9.281 -9.970 6.854 21 2H5* T 3 H5' THY 3 13.177 -4.011 5.992 22 H4* T 3 H4' THY 3 14.058 -4.287 3.904 23 H3* T 3 H3' THY 3 11.891 -2.679 3.900 24 2H2* T 3 H2' THY 3 10.763 -3.654 1.641 25 H1* T 3 H1' THY 3 12.265 -5.476 1.247 26 H3 T 3 3H THY 3 10.041 -9.249 0.429 27 1H5M T 3 1H7 THY 3 7.955 -8.954 4.657 28 2H5M T 3 2H7 THY 3 6.938 -7.747 3.837 29 3H5M T 3 3H7 THY 3 8.126 -7.227 5.054 30 H6 T 3 6H THY 3 9.810 -6.050 3.957 31 2H5* A 4 H5' ADE 4 14.404 -2.337 -0.790 32 H4* A 4 H4' ADE 4 14.335 -3.687 -2.667 33 H3* A 4 H3' ADE 4 12.561 -1.647 -2.665 34 H1* A 4 H1' ADE 4 11.493 -5.208 -3.731 35 H8 A 4 8H ADE 4 10.210 -4.305 -0.172 36 1H6 A 4 1H6 ADE 4 7.205 -8.089 0.344 37 2H6 A 4 2H6 ADE 4 6.820 -9.461 -0.673 38 H2 A 4 2H ADE 4 9.287 -9.052 -4.393 39 2H2* A 4 H2' ADE 4 10.491 -3.030 -3.730 40 2H5* G 5 H5' GUA 5 13.206 -3.895 -7.230 41 H4* G 5 H4' GUA 5 12.221 -5.579 -8.380 42 H3* G 5 H3' GUA 5 10.989 -3.240 -8.888 43 H1* G 5 H1' GUA 5 8.893 -6.398 -8.069 44 H8 G 5 8H GUA 5 9.182 -3.967 -5.055 45 H1 G 5 1H GUA 5 4.923 -8.727 -4.467 46 1H2 G 5 1H2 GUA 5 6.027 -9.702 -7.598 47 2H2 G 5 2H2 GUA 5 4.956 -10.009 -6.248 48 2H2* G 5 H2' GUA 5 8.448 -4.161 -8.792 49 2H5* G 6 H5' GUA 6 9.228 -7.013 -11.635 50 H4* G 6 H4' GUA 6 7.386 -8.237 -11.986 51 H3* G 6 H3' GUA 6 6.937 -5.796 -13.024 52 H1* G 6 H1' GUA 6 4.264 -7.446 -10.749 53 H8 G 6 8H GUA 6 6.214 -4.593 -8.998 54 H1 G 6 1H GUA 6 1.350 -7.143 -5.685 55 1H2 G 6 1H2 GUA 6 1.046 -9.307 -8.367 56 2H2 G 6 2H2 GUA 6 0.455 -8.808 -6.797 57 2H2* G 6 H2' GUA 6 4.412 -5.483 -12.108 58 2H5* G 7 H5' GUA 7 3.290 -9.203 -14.293 59 H4* G 7 H4' GUA 7 1.253 -9.870 -13.527 60 H3* G 7 H3' GUA 7 1.039 -7.768 -15.184 61 H1* G 7 H1' GUA 7 -0.854 -7.711 -11.779 62 H8 G 7 8H GUA 7 2.360 -5.543 -11.822 63 H1 G 7 1H GUA 7 -1.373 -4.984 -6.633 64 1H2 G 7 1H2 GUA 7 -3.320 -7.414 -8.141 65 2H2 G 7 2H2 GUA 7 -3.082 -6.352 -6.770 66 2H2* G 7 H2' GUA 7 -0.778 -6.368 -13.744 67 2H5* T 8 H5' THY 8 -3.272 -9.770 -13.629 68 H4* T 8 H4' THY 8 -4.883 -9.423 -12.062 69 H3* T 8 H3' THY 8 -5.453 -8.132 -14.362 70 2H2* T 8 H2' THY 8 -6.355 -5.842 -13.237 71 H1* T 8 H1' THY 8 -5.821 -6.319 -10.957 72 H3 T 8 3H THY 8 -3.862 -2.705 -9.255 73 1H5M T 8 1H7 THY 8 -0.109 -4.359 -12.271 74 2H5M T 8 2H7 THY 8 -1.097 -3.797 -13.641 75 3H5M T 8 3H7 THY 8 -0.544 -2.638 -12.408 76 H6 T 8 6H THY 8 -2.713 -5.612 -12.856 77 2H5* T 9 H5' THY 9 -9.165 -8.412 -11.001 78 H4* T 9 H4' THY 9 -10.176 -7.206 -9.397 79 H3* T 9 H3' THY 9 -11.258 -6.544 -11.769 80 2H2* T 9 H2' THY 9 -11.338 -3.867 -11.383 81 H1* T 9 H1' THY 9 -10.164 -3.743 -9.306 82 H3 T 9 3H THY 9 -7.031 -0.584 -9.550 83 1H5M T 9 1H7 THY 9 -4.825 -3.504 -12.781 84 2H5M T 9 2H7 THY 9 -6.275 -3.909 -13.728 85 3H5M T 9 3H7 THY 9 -5.653 -2.241 -13.723 86 H6 T 9 6H THY 9 -7.894 -4.495 -12.139 87 2H5* A 10 H5' ADE 10 -13.513 -4.379 -7.737 88 H4* A 10 H4' ADE 10 -13.327 -2.350 -6.798 89 H3* A 10 H3' ADE 10 -15.081 -2.186 -8.859 90 H1* A 10 H1' ADE 10 -12.339 0.481 -8.327 91 H8 A 10 8H ADE 10 -11.602 -1.790 -11.389 92 1H6 A 10 1H6 ADE 10 -7.772 0.699 -13.060 93 2H6 A 10 2H6 ADE 10 -6.910 2.105 -12.476 94 H2 A 10 2H ADE 10 -8.921 3.374 -8.674 95 2H2* A 10 H2' ADE 10 -14.244 0.228 -9.764 96 2H5* G 11 H5' GUA 11 -15.805 2.134 -5.644 97 H4* G 11 H4' GUA 11 -14.224 3.885 -5.437 98 H3* G 11 H3' GUA 11 -16.462 4.285 -6.927 99 H1* G 11 H1' GUA 11 -12.982 5.441 -8.115 100 H8 G 11 8H GUA 11 -14.083 2.200 -9.948 101 H1 G 11 1H GUA 11 -9.152 5.393 -12.524 102 1H2 G 11 1H2 GUA 11 -9.597 7.602 -9.899 103 2H2 G 11 2H2 GUA 11 -8.693 7.179 -11.335 104 2H2* G 11 H2' GUA 11 -15.244 5.733 -8.870 105 2H5* G 12 H5' GUA 12 -14.188 8.698 -5.315 106 H4* G 12 H4' GUA 12 -12.380 9.834 -6.193 107 H3* G 12 H3' GUA 12 -14.778 10.862 -6.871 108 H1* G 12 H1' GUA 12 -12.027 10.382 -9.551 109 H8 G 12 8H GUA 12 -14.597 7.473 -9.622 110 H1 G 12 1H GUA 12 -10.918 8.148 -14.834 111 1H2 G 12 1H2 GUA 12 -9.544 10.839 -13.151 112 2H2 G 12 2H2 GUA 12 -9.558 9.850 -14.594 113 2H2* G 12 H2' GUA 12 -14.200 11.389 -9.460 114 2H5* G 13 H5' GUA 13 -10.954 14.346 -7.921 115 H4* G 13 H4' GUA 13 -9.468 14.527 -9.741 116 H3* G 13 H3' GUA 13 -11.576 16.186 -9.671 117 H1* G 13 H1' GUA 13 -10.751 14.284 -12.956 118 H8 G 13 8H GUA 13 -13.572 12.563 -10.918 119 H1 G 13 1H GUA 13 -12.945 10.713 -17.027 120 1H2 G 13 1H2 GUA 13 -10.344 12.989 -17.138 121 2H2 G 13 2H2 GUA 13 -11.300 11.800 -17.991 122 H3T G 13 H3T GUA 13 -9.403 16.593 -10.411 123 2H2* G 13 H2' GUA 13 -12.277 15.992 -12.276 124 2H5* C 14 H5' CYT 14 -11.680 8.141 -25.552 125 H4* C 14 H4' CYT 14 -10.270 9.953 -24.556 126 H3* C 14 H3' CYT 14 -9.950 7.311 -24.180 127 H1* C 14 H1' CYT 14 -10.129 9.678 -21.102 128 1H4 C 14 1H4 CYT 14 -15.926 8.282 -18.207 129 2H4 C 14 2H4 CYT 14 -15.097 9.447 -17.197 130 H5 C 14 5H CYT 14 -15.015 7.474 -20.301 131 H6 C 14 6H CYT 14 -13.130 7.620 -21.845 132 2H2* C 14 H2' CYT 14 -9.660 7.368 -21.490 133 H5T C 14 H5T CYT 14 -13.169 8.683 -23.194 134 2H5* C 15 H5' CYT 15 -5.871 10.021 -22.292 135 H4* C 15 H4' CYT 15 -5.586 11.091 -20.267 136 H3* C 15 H3' CYT 15 -4.527 8.619 -20.366 137 H1* C 15 H1' CYT 15 -6.697 9.662 -17.312 138 1H4 C 15 1H4 CYT 15 -12.299 6.172 -17.928 139 2H4 C 15 2H4 CYT 15 -12.280 6.866 -16.323 140 H5 C 15 5H CYT 15 -10.527 6.530 -19.540 141 H6 C 15 6H CYT 15 -8.381 7.622 -19.935 142 2H2* C 15 H2' CYT 15 -5.328 7.803 -17.912 143 2H5* C 16 H5' CYT 16 -3.486 11.384 -16.374 144 H4* C 16 H4' CYT 16 -4.171 11.587 -14.239 145 H3* C 16 H3' CYT 16 -2.132 9.846 -14.329 146 H1* C 16 H1' CYT 16 -5.369 8.874 -12.382 147 1H4 C 16 1H4 CYT 16 -8.248 4.238 -16.147 148 2H4 C 16 2H4 CYT 16 -8.995 4.179 -14.565 149 H5 C 16 5H CYT 16 -6.481 5.798 -16.711 150 H6 C 16 6H CYT 16 -5.077 7.608 -15.873 151 2H2* C 16 H2' CYT 16 -3.187 7.976 -12.677 152 2H5* T 17 H5' THY 17 -3.545 11.322 -9.593 153 H4* T 17 H4' THY 17 -5.123 10.481 -8.188 154 H3* T 17 H3' THY 17 -2.679 9.448 -7.670 155 2H2* T 17 H2' THY 17 -3.501 6.911 -7.209 156 H1* T 17 H1' THY 17 -5.803 7.176 -7.820 157 H3 T 17 3H THY 17 -7.002 3.795 -10.457 158 1H5M T 17 1H7 THY 17 -3.957 5.675 -13.750 159 2H5M T 17 2H7 THY 17 -2.617 6.056 -12.644 160 3H5M T 17 3H7 THY 17 -3.051 4.361 -12.963 161 H6 T 17 6H THY 17 -3.560 7.084 -10.772 162 2H5* A 18 H5' ADE 18 -5.981 8.027 -4.006 163 H4* A 18 H4' ADE 18 -6.825 6.242 -2.919 164 H3* A 18 H3' ADE 18 -4.180 6.229 -2.630 165 H1* A 18 H1' ADE 18 -5.846 2.914 -4.040 166 H8 A 18 8H ADE 18 -3.802 5.074 -6.482 167 1H6 A 18 1H6 ADE 18 -4.529 2.386 -10.466 168 2H6 A 18 2H6 ADE 18 -5.517 0.978 -10.799 169 H2 A 18 2H ADE 18 -7.656 -0.035 -6.991 170 2H2* A 18 H2' ADE 18 -3.771 3.589 -3.201 171 2H5* A 19 H5' ADE 19 -6.834 2.637 -0.660 172 H4* A 19 H4' ADE 19 -7.546 0.532 -1.023 173 H3* A 19 H3' ADE 19 -5.201 0.440 0.270 174 H1* A 19 H1' ADE 19 -5.668 -1.755 -2.938 175 H8 A 19 8H ADE 19 -3.394 1.345 -3.396 176 1H6 A 19 1H6 ADE 19 -2.089 0.461 -7.996 177 2H6 A 19 2H6 ADE 19 -2.548 -0.764 -9.158 178 H2 A 19 2H ADE 19 -5.533 -3.424 -7.127 179 2H2* A 19 H2' ADE 19 -4.059 -1.527 -1.208 180 2H5* C 20 H5' CYT 20 -7.603 -3.979 -0.154 181 H4* C 20 H4' CYT 20 -7.526 -5.821 -1.434 182 H3* C 20 H3' CYT 20 -5.718 -6.111 0.514 183 H1* C 20 H1' CYT 20 -4.616 -6.773 -3.167 184 1H4 C 20 1H4 CYT 20 -0.746 -1.615 -4.700 185 2H4 C 20 2H4 CYT 20 -0.591 -2.796 -5.982 186 H5 C 20 5H CYT 20 -2.186 -1.938 -2.780 187 H6 C 20 6H CYT 20 -3.767 -3.455 -1.707 188 2H2* C 20 H2' CYT 20 -3.664 -7.014 -0.994 189 2H5* C 21 H5' CYT 21 -6.322 -10.560 -2.093 190 H4* C 21 H4' CYT 21 -5.203 -11.561 -3.786 191 H3* C 21 H3' CYT 21 -4.042 -12.152 -1.439 192 H1* C 21 H1' CYT 21 -1.829 -10.964 -4.412 193 1H4 C 21 1H4 CYT 21 0.180 -4.885 -2.691 194 2H4 C 21 2H4 CYT 21 1.024 -5.326 -4.158 195 H5 C 21 5H CYT 21 -1.448 -6.329 -1.623 196 H6 C 21 6H CYT 21 -2.590 -8.479 -1.750 197 2H2* C 21 H2' CYT 21 -1.473 -11.824 -2.216 198 2H5* C 22 H5' CYT 22 -1.967 -14.656 -5.305 199 H4* C 22 H4' CYT 22 -0.085 -14.753 -6.534 200 H3* C 22 H3' CYT 22 0.390 -15.878 -4.141 201 H1* C 22 H1' CYT 22 2.903 -13.281 -5.569 202 1H4 C 22 1H4 CYT 22 2.174 -7.897 -1.770 203 2H4 C 22 2H4 CYT 22 3.595 -7.661 -2.761 204 H5 C 22 5H CYT 22 0.796 -9.888 -1.899 205 H6 C 22 6H CYT 22 0.507 -12.044 -3.002 206 2H2* C 22 H2' CYT 22 2.812 -14.759 -3.695 207 2H5* T 23 H5' THY 23 4.018 -16.249 -7.529 208 H4* T 23 H4' THY 23 6.000 -15.341 -8.034 209 H3* T 23 H3' THY 23 6.438 -17.227 -6.166 210 2H2* T 23 H2' THY 23 8.175 -15.811 -4.649 211 H1* T 23 H1' THY 23 8.025 -13.705 -5.769 212 H3 T 23 3H THY 23 7.478 -10.465 -2.766 213 1H5M T 23 1H7 THY 23 3.551 -14.085 -1.965 214 2H5M T 23 2H7 THY 23 3.133 -12.360 -1.845 215 3H5M T 23 3H7 THY 23 4.181 -13.109 -0.617 216 H6 T 23 6H THY 23 4.997 -14.418 -3.750 217 2H5* A 24 H5' ADE 24 10.783 -15.485 -8.407 218 H4* A 24 H4' ADE 24 12.168 -13.753 -7.914 219 H3* A 24 H3' ADE 24 12.965 -16.011 -6.684 220 H1* A 24 H1' ADE 24 12.794 -12.678 -4.713 221 H8 A 24 8H ADE 24 9.871 -15.084 -3.845 222 1H6 A 24 1H6 ADE 24 8.104 -12.540 -0.101 223 2H6 A 24 2H6 ADE 24 8.545 -11.010 0.625 224 H2 A 24 2H ADE 24 12.031 -9.428 -1.711 225 2H2* A 24 H2' ADE 24 13.586 -14.896 -4.298 226 2H5* A 25 H5' ADE 25 16.738 -12.320 -6.614 227 H4* A 25 H4' ADE 25 16.970 -10.511 -5.196 228 H3* A 25 H3' ADE 25 18.441 -12.671 -4.523 229 H1* A 25 H1' ADE 25 16.431 -10.744 -1.834 230 H8 A 25 8H ADE 25 14.671 -14.053 -2.878 231 1H6 A 25 1H6 ADE 25 11.427 -14.153 0.741 232 2H6 A 25 2H6 ADE 25 11.091 -13.078 2.079 233 H2 A 25 2H ADE 25 13.993 -9.675 1.767 234 2H2* A 25 H2' ADE 25 18.037 -12.520 -1.851 235 2H5* C 26 H5' CYT 26 19.889 -8.356 -2.016 236 H4* C 26 H4' CYT 26 19.107 -7.376 -0.073 237 H3* C 26 H3' CYT 26 21.340 -8.830 0.226 238 H1* C 26 H1' CYT 26 18.390 -9.354 2.714 239 1H4 C 26 1H4 CYT 26 15.895 -15.290 1.133 240 2H4 C 26 2H4 CYT 26 15.228 -14.829 2.682 241 H5 C 26 5H CYT 26 17.439 -13.893 -0.106 242 H6 C 26 6H CYT 26 18.653 -11.777 -0.104 243 H3T C 26 H3T CYT 26 19.844 -7.158 1.833 244 2H2* C 26 H2' CYT 26 20.647 -10.097 2.514 245 1H GLU 438 H GLU 438 -21.678 -19.574 -7.534 246 HA GLU 438 HA GLU 438 -20.247 -20.444 -5.110 247 1HB GLU 438 2HB GLU 438 -19.312 -19.578 -7.684 248 2HB GLU 438 1HB GLU 438 -18.746 -18.455 -6.454 249 1HG GLU 438 2HG GLU 438 -18.249 -20.889 -5.305 250 2HG GLU 438 1HG GLU 438 -17.933 -21.196 -7.013 251 H ASP 439 H ASP 439 -21.007 -19.370 -3.406 252 HA ASP 439 HA ASP 439 -21.198 -16.446 -3.592 253 1HB ASP 439 2HB ASP 439 -23.384 -18.265 -3.176 254 2HB ASP 439 1HB ASP 439 -23.158 -17.284 -1.731 255 H SER 440 H SER 440 -19.648 -15.731 -2.289 256 HA SER 440 HA SER 440 -18.369 -15.381 -0.443 257 1HB SER 440 2HB SER 440 -20.911 -15.674 0.512 258 2HB SER 440 1HB SER 440 -20.055 -16.919 1.422 259 HG SER 440 HG SER 440 -18.487 -15.179 1.886 260 H THR 441 H THR 441 -16.759 -16.365 0.798 261 HA THR 441 HA THR 441 -16.629 -19.091 1.429 262 HB THR 441 HB THR 441 -16.378 -19.810 -0.746 263 HG1 THR 441 1HG THR 441 -14.536 -20.506 0.269 264 1HG2 THR 441 1HG2 THR 441 -15.829 -18.614 -2.551 265 2HG2 THR 441 2HG2 THR 441 -14.433 -17.874 -1.767 266 3HG2 THR 441 3HG2 THR 441 -16.048 -17.229 -1.483 267 H THR 442 H THR 442 -14.139 -16.996 -0.023 268 HA THR 442 HA THR 442 -12.560 -17.250 2.412 269 HB THR 442 HB THR 442 -11.081 -15.655 0.760 270 HG1 THR 442 1HG THR 442 -12.264 -15.681 -1.030 271 1HG2 THR 442 1HG2 THR 442 -9.801 -17.396 1.301 272 2HG2 THR 442 2HG2 THR 442 -10.389 -18.099 -0.205 273 3HG2 THR 442 3HG2 THR 442 -11.164 -18.518 1.323 274 H ASN 443 H ASN 443 -13.985 -14.739 0.365 275 HA ASN 443 HA ASN 443 -14.945 -13.089 2.301 276 1HB ASN 443 2HB ASN 443 -13.132 -11.255 2.288 277 2HB ASN 443 1HB ASN 443 -12.866 -12.660 3.316 278 1HD2 ASN 443 1HD2 ASN 443 -12.109 -11.305 0.148 279 2HD2 ASN 443 2HD2 ASN 443 -10.564 -12.061 -0.004 280 H ILE 444 H ILE 444 -15.808 -11.157 1.477 281 HA ILE 444 HA ILE 444 -15.306 -10.647 -1.376 282 HB ILE 444 HB ILE 444 -17.810 -10.108 -1.527 283 1HG1 ILE 444 2HG1 ILE 444 -18.008 -12.078 0.746 284 2HG1 ILE 444 1HG1 ILE 444 -18.058 -10.340 1.019 285 1HG2 ILE 444 1HG2 ILE 444 -16.491 -12.756 -1.524 286 2HG2 ILE 444 2HG2 ILE 444 -17.286 -11.884 -2.834 287 3HG2 ILE 444 3HG2 ILE 444 -18.250 -12.735 -1.626 288 1HD1 ILE 444 1HD1 ILE 444 -20.246 -11.775 0.703 289 2HD1 ILE 444 2HD1 ILE 444 -19.908 -11.470 -1.000 290 3HD1 ILE 444 3HD1 ILE 444 -20.125 -10.118 0.113 291 H THR 445 H THR 445 -14.356 -8.703 -1.330 292 HA THR 445 HA THR 445 -15.816 -6.512 -0.038 293 HB THR 445 HB THR 445 -13.970 -7.146 1.458 294 HG1 THR 445 1HG THR 445 -13.948 -5.092 1.810 295 1HG2 THR 445 1HG2 THR 445 -12.089 -7.908 0.561 296 2HG2 THR 445 2HG2 THR 445 -11.682 -6.218 0.271 297 3HG2 THR 445 3HG2 THR 445 -12.433 -7.174 -1.004 298 H LYS 446 H LYS 446 -15.491 -4.447 -0.987 299 HA LYS 446 HA LYS 446 -14.830 -4.598 -3.815 300 1HB LYS 446 2HB LYS 446 -16.279 -2.657 -2.066 301 2HB LYS 446 1HB LYS 446 -15.607 -2.081 -3.584 302 1HG LYS 446 2HG LYS 446 -17.498 -2.751 -4.530 303 2HG LYS 446 1HG LYS 446 -16.914 -4.400 -4.304 304 1HD LYS 446 2HD LYS 446 -18.411 -4.826 -2.689 305 2HD LYS 446 1HD LYS 446 -18.155 -3.263 -1.915 306 1HE LYS 446 2HE LYS 446 -19.472 -2.389 -4.025 307 2HE LYS 446 1HE LYS 446 -20.087 -4.040 -4.042 308 1HZ LYS 446 1HZ LYS 446 -21.595 -2.857 -2.743 309 2HZ LYS 446 2HZ LYS 446 -20.385 -1.994 -1.932 310 3HZ LYS 446 3HZ LYS 446 -20.615 -3.636 -1.602 311 H LYS 447 H LYS 447 -14.220 -2.018 -1.446 312 HA LYS 447 HA LYS 447 -11.374 -2.082 -2.070 313 1HB LYS 447 2HB LYS 447 -12.738 -0.478 -3.629 314 2HB LYS 447 1HB LYS 447 -12.770 0.566 -2.214 315 1HG LYS 447 2HG LYS 447 -10.944 1.096 -3.783 316 2HG LYS 447 1HG LYS 447 -10.370 0.671 -2.168 317 1HD LYS 447 2HD LYS 447 -9.368 -1.235 -2.880 318 2HD LYS 447 1HD LYS 447 -10.608 -1.559 -4.095 319 1HE LYS 447 2HE LYS 447 -8.634 0.683 -4.417 320 2HE LYS 447 1HE LYS 447 -8.245 -0.967 -4.903 321 1HZ LYS 447 1HZ LYS 447 -9.412 0.808 -6.508 322 2HZ LYS 447 2HZ LYS 447 -10.786 0.058 -5.863 323 3HZ LYS 447 3HZ LYS 447 -9.616 -0.865 -6.665 324 H GLN 448 H GLN 448 -10.094 -0.766 -0.594 325 HA GLN 448 HA GLN 448 -11.456 0.148 1.818 326 1HB GLN 448 2HB GLN 448 -9.645 -2.209 1.650 327 2HB GLN 448 1HB GLN 448 -9.472 -1.153 3.046 328 1HG GLN 448 2HG GLN 448 -12.244 -1.774 2.544 329 2HG GLN 448 1HG GLN 448 -11.278 -3.236 2.727 330 1HE2 GLN 448 1HE2 GLN 448 -12.805 -0.663 4.302 331 2HE2 GLN 448 2HE2 GLN 448 -12.244 -0.991 5.904 332 H LYS 449 H LYS 449 -10.746 2.183 0.896 333 HA LYS 449 HA LYS 449 -8.020 2.782 0.484 334 1HB LYS 449 2HB LYS 449 -9.809 4.135 -0.495 335 2HB LYS 449 1HB LYS 449 -10.312 4.652 1.111 336 1HG LYS 449 2HG LYS 449 -8.029 5.659 1.388 337 2HG LYS 449 1HG LYS 449 -7.754 5.317 -0.322 338 1HD LYS 449 2HD LYS 449 -10.198 6.819 0.521 339 2HD LYS 449 1HD LYS 449 -8.647 7.655 0.416 340 1HE LYS 449 2HE LYS 449 -8.540 6.498 -1.936 341 2HE LYS 449 1HE LYS 449 -10.291 6.415 -1.742 342 1HZ LYS 449 1HZ LYS 449 -10.510 8.621 -2.003 343 2HZ LYS 449 2HZ LYS 449 -9.011 8.508 -2.777 344 3HZ LYS 449 3HZ LYS 449 -9.090 8.989 -1.158 345 H TRP 450 H TRP 450 -6.507 3.837 1.787 346 HA TRP 450 HA TRP 450 -6.561 3.205 4.533 347 1HB TRP 450 2HB TRP 450 -4.767 4.839 2.776 348 2HB TRP 450 1HB TRP 450 -4.556 4.898 4.521 349 HD1 TRP 450 HD TRP 450 -5.445 1.675 2.613 350 HE1 TRP 450 1HE TRP 450 -3.509 0.003 2.910 351 HE3 TRP 450 3HE TRP 450 -2.123 4.701 5.056 352 HZ2 TRP 450 2HZ TRP 450 -0.918 -0.027 4.032 353 HZ3 TRP 450 3HZ TRP 450 0.058 3.775 5.704 354 HH2 TRP 450 HH TRP 450 0.646 1.461 5.203 355 H THR 451 H THR 451 -6.072 4.923 6.240 356 HA THR 451 HA THR 451 -8.099 7.032 6.003 357 HB THR 451 HB THR 451 -7.415 6.999 8.648 358 HG1 THR 451 1HG THR 451 -7.245 4.821 9.236 359 1HG2 THR 451 1HG2 THR 451 -9.544 6.467 8.946 360 2HG2 THR 451 2HG2 THR 451 -9.359 4.923 8.115 361 3HG2 THR 451 3HG2 THR 451 -9.667 6.391 7.188 362 H VAL 452 H VAL 452 -7.532 8.988 7.502 363 HA VAL 452 HA VAL 452 -5.134 10.135 6.429 364 HB VAL 452 HB VAL 452 -5.765 12.171 7.612 365 1HG1 VAL 452 1HG1 VAL 452 -7.353 12.693 6.110 366 2HG1 VAL 452 2HG1 VAL 452 -8.403 11.364 6.602 367 3HG1 VAL 452 3HG1 VAL 452 -7.056 11.061 5.506 368 1HG2 VAL 452 1HG2 VAL 452 -6.906 10.555 9.481 369 2HG2 VAL 452 2HG2 VAL 452 -8.325 11.143 8.614 370 3HG2 VAL 452 3HG2 VAL 452 -7.196 12.288 9.339 371 H GLU 453 H GLU 453 -5.920 8.451 9.312 372 HA GLU 453 HA GLU 453 -3.855 9.622 10.935 373 1HB GLU 453 2HB GLU 453 -5.799 7.376 11.242 374 2HB GLU 453 1HB GLU 453 -4.398 7.424 12.303 375 1HG GLU 453 2HG GLU 453 -5.457 10.014 12.322 376 2HG GLU 453 1HG GLU 453 -6.838 8.924 12.433 377 H GLU 454 H GLU 454 -4.279 6.558 9.194 378 HA GLU 454 HA GLU 454 -1.795 5.442 9.912 379 1HB GLU 454 2HB GLU 454 -3.405 4.903 7.412 380 2HB GLU 454 1HB GLU 454 -2.179 3.854 8.111 381 1HG GLU 454 2HG GLU 454 -3.908 4.195 10.200 382 2HG GLU 454 1HG GLU 454 -4.991 4.181 8.808 383 H SER 455 H SER 455 -2.730 7.695 7.420 384 HA SER 455 HA SER 455 -0.316 7.428 5.901 385 1HB SER 455 2HB SER 455 -2.614 9.364 5.848 386 2HB SER 455 1HB SER 455 -1.161 9.667 4.899 387 HG SER 455 HG SER 455 -2.635 8.525 3.652 388 H GLU 456 H GLU 456 -1.283 9.250 8.674 389 HA GLU 456 HA GLU 456 0.755 11.260 8.443 390 1HB GLU 456 2HB GLU 456 -1.418 11.533 9.706 391 2HB GLU 456 1HB GLU 456 -0.757 10.465 10.935 392 1HG GLU 456 2HG GLU 456 1.229 12.195 10.883 393 2HG GLU 456 1HG GLU 456 -0.027 13.260 10.253 394 H TRP 457 H TRP 457 0.433 8.145 10.004 395 HA TRP 457 HA TRP 457 2.762 8.334 11.621 396 1HB TRP 457 2HB TRP 457 1.452 5.807 10.607 397 2HB TRP 457 1HB TRP 457 2.449 5.989 12.047 398 HD1 TRP 457 HD TRP 457 0.840 8.757 12.932 399 HE1 TRP 457 1HE TRP 457 -1.440 8.447 14.091 400 HE3 TRP 457 3HE TRP 457 -0.218 4.002 11.385 401 HZ2 TRP 457 2HZ TRP 457 -3.423 6.449 14.317 402 HZ3 TRP 457 3HZ TRP 457 -2.331 2.969 12.110 403 HH2 TRP 457 HH TRP 457 -3.897 4.168 13.545 404 H VAL 458 H VAL 458 2.122 7.084 8.382 405 HA VAL 458 HA VAL 458 4.752 6.004 8.039 406 HB VAL 458 HB VAL 458 2.630 5.276 6.807 407 1HG1 VAL 458 1HG1 VAL 458 3.358 7.349 4.780 408 2HG1 VAL 458 2HG1 VAL 458 2.223 7.734 6.073 409 3HG1 VAL 458 3HG1 VAL 458 1.870 6.420 4.948 410 1HG2 VAL 458 1HG2 VAL 458 5.088 5.806 5.143 411 2HG2 VAL 458 2HG2 VAL 458 3.877 4.550 4.877 412 3HG2 VAL 458 3HG2 VAL 458 4.917 4.488 6.302 413 H LYS 459 H LYS 459 3.325 9.122 7.618 414 HA LYS 459 HA LYS 459 5.203 10.147 5.737 415 1HB LYS 459 2HB LYS 459 2.936 11.129 6.201 416 2HB LYS 459 1HB LYS 459 3.570 11.723 7.730 417 1HG LYS 459 2HG LYS 459 5.412 12.649 5.931 418 2HG LYS 459 1HG LYS 459 3.901 12.764 5.028 419 1HD LYS 459 2HD LYS 459 3.016 14.325 6.444 420 2HD LYS 459 1HD LYS 459 3.924 13.734 7.838 421 1HE LYS 459 2HE LYS 459 5.900 14.629 6.150 422 2HE LYS 459 1HE LYS 459 4.605 15.798 5.889 423 1HZ LYS 459 1HZ LYS 459 4.532 16.227 8.246 424 2HZ LYS 459 2HZ LYS 459 6.112 16.450 7.686 425 3HZ LYS 459 3HZ LYS 459 5.711 15.048 8.543 426 H ALA 460 H ALA 460 4.916 10.401 9.269 427 HA ALA 460 HA ALA 460 7.416 11.819 9.496 428 1HB ALA 460 1HB ALA 460 7.019 11.823 11.862 429 2HB ALA 460 2HB ALA 460 5.775 10.583 11.701 430 3HB ALA 460 3HB ALA 460 5.503 12.196 11.040 431 H GLY 461 H GLY 461 6.324 8.517 9.712 432 1HA GLY 461 2HA GLY 461 8.446 7.393 11.156 433 2HA GLY 461 1HA GLY 461 7.466 6.539 9.974 434 H VAL 462 H VAL 462 8.086 7.806 7.640 435 HA VAL 462 HA VAL 462 10.703 6.746 7.111 436 HB VAL 462 HB VAL 462 8.928 8.311 5.234 437 1HG1 VAL 462 1HG1 VAL 462 10.665 6.204 4.183 438 2HG1 VAL 462 2HG1 VAL 462 11.531 7.565 4.897 439 3HG1 VAL 462 3HG1 VAL 462 10.377 7.840 3.591 440 1HG2 VAL 462 1HG2 VAL 462 8.698 5.595 6.292 441 2HG2 VAL 462 2HG2 VAL 462 8.672 5.679 4.531 442 3HG2 VAL 462 3HG2 VAL 462 7.502 6.598 5.475 443 H GLN 463 H GLU 463 9.314 9.904 7.618 444 HA GLN 463 HA GLU 463 11.506 11.386 6.543 445 1HB GLN 463 2HB GLU 463 9.188 12.286 6.818 446 2HB GLN 463 1HB GLU 463 9.454 12.318 8.555 447 1HG GLN 463 2HG GLU 463 10.107 14.419 8.204 448 2HG GLN 463 1HG GLU 463 11.617 13.691 7.658 449 H LYS 464 H LYS 464 10.940 9.773 9.529 450 HA LYS 464 HA LYS 464 13.183 11.201 10.783 451 1HB LYS 464 2HB LYS 464 10.776 9.809 11.853 452 2HB LYS 464 1HB LYS 464 12.240 9.784 12.827 453 1HG LYS 464 2HG LYS 464 12.050 12.422 12.113 454 2HG LYS 464 1HG LYS 464 10.361 11.951 12.322 455 1HD LYS 464 2HD LYS 464 11.452 10.804 14.506 456 2HD LYS 464 1HD LYS 464 12.531 12.186 14.309 457 1HE LYS 464 2HE LYS 464 10.018 13.267 13.932 458 2HE LYS 464 1HE LYS 464 9.768 12.084 15.218 459 1HZ LYS 464 1HZ LYS 464 12.119 13.744 15.524 460 2HZ LYS 464 2HZ LYS 464 10.959 13.290 16.666 461 3HZ LYS 464 3HZ LYS 464 10.650 14.578 15.614 462 H TYR 465 H TYR 465 11.875 7.927 10.304 463 HA TYR 465 HA TYR 465 14.406 6.749 11.103 464 1HB TYR 465 2HB TYR 465 11.816 5.488 10.183 465 2HB TYR 465 1HB TYR 465 13.235 4.588 10.712 466 HD1 TYR 465 1HD TYR 465 13.999 4.794 13.088 467 HD2 TYR 465 2HD TYR 465 10.299 6.413 11.752 468 HE1 TYR 465 1HE TYR 465 13.224 4.928 15.418 469 HE2 TYR 465 2HE TYR 465 9.512 6.552 14.078 470 HH TYR 465 HH TYR 465 9.971 5.532 16.240 471 H GLY 466 H GLY 466 12.400 7.002 8.186 472 1HA GLY 466 2HA GLY 466 13.702 7.429 6.110 473 2HA GLY 466 1HA GLY 466 14.754 6.122 6.627 474 H GLU 467 H GLU 467 13.989 5.670 4.245 475 HA GLU 467 HA GLU 467 11.417 4.333 4.125 476 1HB GLU 467 2HB GLU 467 12.781 5.726 2.268 477 2HB GLU 467 1HB GLU 467 13.324 4.100 1.871 478 1HG GLU 467 2HG GLU 467 10.773 3.547 1.952 479 2HG GLU 467 1HG GLU 467 10.597 5.282 1.706 480 H GLY 468 H GLY 468 11.097 2.138 3.812 481 1HA GLY 468 2HA GLY 468 11.777 -0.102 3.505 482 2HA GLY 468 1HA GLY 468 13.437 0.382 3.818 483 H ASN 469 H ASN 469 12.220 1.924 6.231 484 HA ASN 469 HA ASN 469 12.413 -0.363 8.047 485 1HB ASN 469 2HB ASN 469 13.482 2.247 8.112 486 2HB ASN 469 1HB ASN 469 12.286 2.180 9.404 487 1HD2 ASN 469 1HD2 ASN 469 15.394 1.284 8.388 488 2HD2 ASN 469 2HD2 ASN 469 15.833 0.338 9.766 489 H TRP 470 H TRP 470 10.160 -0.878 7.243 490 HA TRP 470 HA TRP 470 8.041 0.766 8.360 491 1HB TRP 470 2HB TRP 470 7.646 -1.934 7.093 492 2HB TRP 470 1HB TRP 470 6.535 -0.572 7.150 493 HD1 TRP 470 HD TRP 470 8.840 -2.254 4.857 494 HE1 TRP 470 1HE TRP 470 9.350 -0.782 2.809 495 HE3 TRP 470 3HE TRP 470 7.018 2.200 6.584 496 HZ2 TRP 470 2HZ TRP 470 9.023 1.911 2.028 497 HZ3 TRP 470 3HZ TRP 470 7.154 4.175 5.123 498 HH2 TRP 470 HH TRP 470 8.137 4.032 2.893 499 H ALA 471 H ALA 471 9.657 -2.270 9.001 500 HA ALA 471 HA ALA 471 7.912 -3.470 10.780 501 1HB ALA 471 1HB ALA 471 10.930 -3.467 10.870 502 2HB ALA 471 2HB ALA 471 9.903 -4.600 9.986 503 3HB ALA 471 3HB ALA 471 9.884 -4.582 11.749 504 H ALA 472 H ALA 472 10.442 -1.073 11.486 505 HA ALA 472 HA ALA 472 10.001 -0.990 14.273 506 1HB ALA 472 1HB ALA 472 11.282 1.084 14.250 507 2HB ALA 472 2HB ALA 472 11.137 1.169 12.496 508 3HB ALA 472 3HB ALA 472 12.053 -0.139 13.242 509 H ILE 473 H ILE 473 8.586 0.792 11.586 510 HA ILE 473 HA ILE 473 7.207 2.725 13.108 511 HB ILE 473 HB ILE 473 6.381 1.602 10.429 512 1HG1 ILE 473 2HG1 ILE 473 8.083 4.047 10.918 513 2HG1 ILE 473 1HG1 ILE 473 8.777 2.458 10.611 514 1HG2 ILE 473 1HG2 ILE 473 4.798 3.084 11.834 515 2HG2 ILE 473 2HG2 ILE 473 5.060 3.489 10.135 516 3HG2 ILE 473 3HG2 ILE 473 5.898 4.393 11.397 517 1HD1 ILE 473 1HD1 ILE 473 7.098 2.632 8.527 518 2HD1 ILE 473 2HD1 ILE 473 8.771 3.188 8.489 519 3HD1 ILE 473 3HD1 ILE 473 7.467 4.339 8.774 520 H SER 474 H SER 474 6.245 -0.457 11.877 521 HA SER 474 HA SER 474 3.599 -0.302 12.950 522 1HB SER 474 2HB SER 474 3.474 -2.708 12.341 523 2HB SER 474 1HB SER 474 4.031 -1.696 11.007 524 HG SER 474 HG SER 474 5.469 -3.521 12.585 525 H LYS 475 H LYS 475 6.591 -0.804 14.375 526 HA LYS 475 HA LYS 475 5.584 -2.564 16.469 527 1HB LYS 475 2HB LYS 475 8.031 -2.383 15.283 528 2HB LYS 475 1HB LYS 475 8.292 -1.434 16.739 529 1HG LYS 475 2HG LYS 475 7.803 -3.259 18.142 530 2HG LYS 475 1HG LYS 475 7.114 -4.192 16.813 531 1HD LYS 475 2HD LYS 475 9.425 -4.102 15.756 532 2HD LYS 475 1HD LYS 475 10.000 -3.520 17.320 533 1HE LYS 475 2HE LYS 475 8.577 -5.668 18.106 534 2HE LYS 475 1HE LYS 475 9.087 -6.207 16.509 535 1HZ LYS 475 1HZ LYS 475 10.665 -5.757 18.904 536 2HZ LYS 475 2HZ LYS 475 11.375 -5.243 17.456 537 3HZ LYS 475 3HZ LYS 475 10.902 -6.855 17.638 538 H ASN 476 H ASN 476 6.031 0.779 15.862 539 HA ASN 476 HA ASN 476 5.748 1.368 18.735 540 1HB ASN 476 2HB ASN 476 7.736 2.259 17.161 541 2HB ASN 476 1HB ASN 476 6.551 3.531 16.869 542 1HD2 ASN 476 1HD2 ASN 476 9.000 3.971 18.111 543 2HD2 ASN 476 2HD2 ASN 476 8.715 4.429 19.752 544 H TYR 477 H TYR 477 4.637 2.254 15.492 545 HA TYR 477 HA TYR 477 2.570 3.978 16.558 546 1HB TYR 477 2HB TYR 477 3.394 3.186 13.773 547 2HB TYR 477 1HB TYR 477 1.901 4.071 14.070 548 HD1 TYR 477 1HD TYR 477 1.968 6.372 14.916 549 HD2 TYR 477 2HD TYR 477 5.542 4.254 14.000 550 HE1 TYR 477 1HE TYR 477 3.220 8.488 14.934 551 HE2 TYR 477 2HE TYR 477 6.803 6.364 14.016 552 HH TYR 477 HH TYR 477 6.595 8.627 14.999 553 HA PRO 478 HA PRO 478 -0.735 1.062 16.593 554 1HB PRO 478 2HB PRO 478 -2.646 2.925 15.448 555 2HB PRO 478 1HB PRO 478 -2.471 2.415 17.127 556 1HG PRO 478 2HG PRO 478 -1.910 4.935 16.260 557 2HG PRO 478 1HG PRO 478 -1.118 4.183 17.657 558 1HD PRO 478 2HD PRO 478 -0.116 4.496 14.849 559 2HD PRO 478 1HD PRO 478 0.752 4.703 16.387 560 H PHE 479 H PHE 479 0.753 0.553 14.340 561 HA PHE 479 HA PHE 479 -1.045 0.512 12.056 562 1HB PHE 479 2HB PHE 479 1.831 0.298 12.472 563 2HB PHE 479 1HB PHE 479 1.227 -0.925 11.357 564 HD1 PHE 479 1HD PHE 479 2.587 2.229 11.525 565 HD2 PHE 479 2HD PHE 479 -0.583 0.118 9.628 566 HE1 PHE 479 1HE PHE 479 2.556 3.904 9.723 567 HE2 PHE 479 2HE PHE 479 -0.619 1.788 7.821 568 HZ PHE 479 HZ PHE 479 0.950 3.684 7.868 569 H VAL 480 H VAL 480 -2.642 -0.927 12.842 570 HA VAL 480 HA VAL 480 -1.753 -3.714 13.158 571 HB VAL 480 HB VAL 480 -3.865 -4.160 14.302 572 1HG1 VAL 480 1HG1 VAL 480 -2.764 -1.730 15.645 573 2HG1 VAL 480 2HG1 VAL 480 -1.752 -3.158 15.432 574 3HG1 VAL 480 3HG1 VAL 480 -3.257 -3.272 16.345 575 1HG2 VAL 480 1HG2 VAL 480 -4.916 -2.062 13.010 576 2HG2 VAL 480 2HG2 VAL 480 -4.553 -1.291 14.553 577 3HG2 VAL 480 3HG2 VAL 480 -5.597 -2.709 14.501 578 H ASN 481 H ASN 481 -2.948 -5.388 12.136 579 HA ASN 481 HA ASN 481 -3.995 -6.385 10.374 580 1HB ASN 481 2HB ASN 481 -5.784 -4.470 11.341 581 2HB ASN 481 1HB ASN 481 -5.775 -4.227 9.596 582 1HD2 ASN 481 1HD2 ASN 481 -6.709 -5.711 8.291 583 2HD2 ASN 481 2HD2 ASN 481 -7.551 -7.107 8.863 584 H ARG 482 H ARG 482 -1.643 -4.784 9.911 585 HA ARG 482 HA ARG 482 -1.864 -4.547 7.039 586 1HB ARG 482 2HB ARG 482 -1.900 -2.212 8.757 587 2HB ARG 482 1HB ARG 482 -0.513 -2.186 7.677 588 1HG ARG 482 2HG ARG 482 -1.848 -2.174 5.766 589 2HG ARG 482 1HG ARG 482 -3.273 -2.727 6.648 590 1HD ARG 482 2HD ARG 482 -2.130 -0.188 7.588 591 2HD ARG 482 1HD ARG 482 -2.794 -0.148 5.956 592 HE ARG 482 HE ARG 482 -4.256 -0.389 8.418 593 1HH1 ARG 482 1HH1 ARG 482 -4.311 -1.017 4.985 594 2HH1 ARG 482 2HH1 ARG 482 -6.039 -1.042 4.891 595 1HH2 ARG 482 1HH2 ARG 482 -6.530 -0.423 8.296 596 2HH2 ARG 482 2HH2 ARG 482 -7.300 -0.705 6.770 597 H THR 483 H THR 483 -0.299 -6.011 6.655 598 HA THR 483 HA THR 483 2.069 -6.277 8.182 599 HB THR 483 HB THR 483 2.779 -7.506 5.930 600 HG1 THR 483 1HG THR 483 1.227 -7.739 4.543 601 1HG2 THR 483 1HG2 THR 483 2.078 -8.499 8.196 602 2HG2 THR 483 2HG2 THR 483 1.959 -9.502 6.751 603 3HG2 THR 483 3HG2 THR 483 0.514 -8.749 7.422 604 H ALA 484 H ALA 484 4.281 -6.179 7.052 605 HA ALA 484 HA ALA 484 4.853 -3.477 6.476 606 1HB ALA 484 1HB ALA 484 7.129 -4.228 6.018 607 2HB ALA 484 2HB ALA 484 6.581 -5.903 5.981 608 3HB ALA 484 3HB ALA 484 6.499 -4.979 7.483 609 H VAL 485 H VAL 485 3.780 -6.035 4.473 610 HA VAL 485 HA VAL 485 4.912 -5.143 2.014 611 HB VAL 485 HB VAL 485 2.455 -6.852 2.438 612 1HG1 VAL 485 1HG1 VAL 485 2.804 -5.826 0.158 613 2HG1 VAL 485 2HG1 VAL 485 2.727 -7.587 0.197 614 3HG1 VAL 485 3HG1 VAL 485 4.286 -6.777 0.048 615 1HG2 VAL 485 1HG2 VAL 485 5.311 -7.403 2.757 616 2HG2 VAL 485 2HG2 VAL 485 4.474 -8.542 1.704 617 3HG2 VAL 485 3HG2 VAL 485 3.909 -8.290 3.357 618 H MET 486 H MET 486 1.863 -4.552 3.695 619 HA MET 486 HA MET 486 0.633 -3.134 1.555 620 1HB MET 486 2HB MET 486 0.077 -3.342 4.506 621 2HB MET 486 1HB MET 486 -0.854 -2.265 3.474 622 1HG MET 486 2HG MET 486 -1.205 -4.391 2.024 623 2HG MET 486 1HG MET 486 -0.757 -5.244 3.499 624 1HE MET 486 1HE MET 486 -3.120 -6.114 2.415 625 2HE MET 486 2HE MET 486 -3.990 -4.748 1.718 626 3HE MET 486 3HE MET 486 -4.648 -5.587 3.123 627 H ILE 487 H ILE 487 2.343 -2.109 4.491 628 HA ILE 487 HA ILE 487 2.048 0.650 4.162 629 HB ILE 487 HB ILE 487 4.390 -0.779 5.428 630 1HG1 ILE 487 2HG1 ILE 487 2.067 0.317 6.964 631 2HG1 ILE 487 1HG1 ILE 487 1.913 -1.259 6.193 632 1HG2 ILE 487 1HG2 ILE 487 4.688 1.650 4.947 633 2HG2 ILE 487 2HG2 ILE 487 4.766 1.236 6.660 634 3HG2 ILE 487 3HG2 ILE 487 3.308 1.974 5.996 635 1HD1 ILE 487 1HD1 ILE 487 3.960 -1.971 7.419 636 2HD1 ILE 487 2HD1 ILE 487 2.580 -1.589 8.451 637 3HD1 ILE 487 3HD1 ILE 487 3.906 -0.437 8.285 638 H LYS 488 H LYS 488 4.667 -1.505 3.085 639 HA LYS 488 HA LYS 488 6.217 0.535 1.892 640 1HB LYS 488 2HB LYS 488 7.523 -1.223 0.921 641 2HB LYS 488 1HB LYS 488 7.069 -1.719 2.546 642 1HG LYS 488 2HG LYS 488 6.096 -3.556 1.781 643 2HG LYS 488 1HG LYS 488 5.110 -2.626 0.652 644 1HD LYS 488 2HD LYS 488 7.568 -2.556 -0.546 645 2HD LYS 488 1HD LYS 488 7.561 -4.159 0.192 646 1HE LYS 488 2HE LYS 488 6.512 -4.745 -1.713 647 2HE LYS 488 1HE LYS 488 5.091 -4.117 -0.881 648 1HZ LYS 488 1HZ LYS 488 5.794 -3.314 -3.288 649 2HZ LYS 488 2HZ LYS 488 6.697 -2.203 -2.388 650 3HZ LYS 488 3HZ LYS 488 5.019 -2.287 -2.189 651 H ASP 489 H ASP 489 3.381 -1.116 0.860 652 HA ASP 489 HA ASP 489 3.781 -0.643 -1.954 653 1HB ASP 489 2HB ASP 489 1.965 -2.154 -0.328 654 2HB ASP 489 1HB ASP 489 1.036 -1.120 -1.410 655 H ARG 490 H ARG 490 2.333 1.025 0.728 656 HA ARG 490 HA ARG 490 0.760 2.828 -0.843 657 1HB ARG 490 2HB ARG 490 0.597 2.136 1.707 658 2HB ARG 490 1HB ARG 490 1.658 3.524 1.917 659 1HG ARG 490 2HG ARG 490 -0.481 4.269 0.195 660 2HG ARG 490 1HG ARG 490 -1.150 3.483 1.626 661 1HD ARG 490 2HD ARG 490 0.634 5.056 2.826 662 2HD ARG 490 1HD ARG 490 0.368 6.023 1.376 663 HE ARG 490 HE ARG 490 -1.387 5.767 3.580 664 1HH1 ARG 490 1HH1 ARG 490 -1.382 6.017 0.097 665 2HH1 ARG 490 2HH1 ARG 490 -2.973 6.698 0.017 666 1HH2 ARG 490 1HH2 ARG 490 -3.482 6.662 3.475 667 2HH2 ARG 490 2HH2 ARG 490 -4.165 7.065 1.933 668 H TRP 491 H TRP 491 3.783 3.199 1.009 669 HA TRP 491 HA TRP 491 4.295 5.843 0.206 670 1HB TRP 491 2HB TRP 491 5.367 4.467 2.112 671 2HB TRP 491 1HB TRP 491 6.472 3.877 0.873 672 HD1 TRP 491 HD TRP 491 8.598 5.266 0.585 673 HE1 TRP 491 1HE TRP 491 9.335 7.660 1.185 674 HE3 TRP 491 3HE TRP 491 4.166 7.049 2.409 675 HZ2 TRP 491 2HZ TRP 491 8.190 9.995 2.284 676 HZ3 TRP 491 3HZ TRP 491 4.071 9.371 3.215 677 HH2 TRP 491 HH TRP 491 6.042 10.812 3.154 678 H ARG 492 H ARG 492 4.983 2.766 -1.302 679 HA ARG 492 HA ARG 492 6.841 3.781 -3.219 680 1HB ARG 492 2HB ARG 492 6.754 1.399 -2.538 681 2HB ARG 492 1HB ARG 492 5.188 1.253 -3.326 682 1HG ARG 492 2HG ARG 492 6.391 2.025 -5.447 683 2HG ARG 492 1HG ARG 492 7.881 1.667 -4.570 684 1HD ARG 492 2HD ARG 492 7.611 -0.545 -4.797 685 2HD ARG 492 1HD ARG 492 5.894 -0.465 -4.405 686 HE ARG 492 HE ARG 492 7.079 -0.491 -7.025 687 1HH1 ARG 492 1HH1 ARG 492 4.270 0.408 -5.160 688 2HH1 ARG 492 2HH1 ARG 492 3.199 0.371 -6.520 689 1HH2 ARG 492 1HH2 ARG 492 5.672 -0.542 -8.816 690 2HH2 ARG 492 2HH2 ARG 492 3.995 -0.169 -8.595 691 H THR 493 H THR 493 3.365 3.343 -3.120 692 HA THR 493 HA THR 493 2.952 3.824 -5.908 693 HB THR 493 HB THR 493 1.001 3.978 -3.603 694 HG1 THR 493 1HG THR 493 0.455 1.864 -4.316 695 1HG2 THR 493 1HG2 THR 493 0.361 5.039 -5.869 696 2HG2 THR 493 2HG2 THR 493 -0.759 3.923 -5.088 697 3HG2 THR 493 3HG2 THR 493 0.248 3.369 -6.425 698 H MET 494 H MET 494 3.259 5.816 -3.083 699 HA MET 494 HA MET 494 2.125 8.153 -4.363 700 1HB MET 494 2HB MET 494 2.393 7.380 -1.743 701 2HB MET 494 1HB MET 494 3.677 8.570 -1.908 702 1HG MET 494 2HG MET 494 2.246 10.290 -2.091 703 2HG MET 494 1HG MET 494 1.078 9.359 -3.029 704 1HE MET 494 1HE MET 494 1.344 9.835 1.498 705 2HE MET 494 2HE MET 494 1.374 11.181 0.359 706 3HE MET 494 3HE MET 494 2.670 9.986 0.345 707 H LYS 495 H LYS 495 5.267 6.759 -3.800 708 HA LYS 495 HA LYS 495 6.658 9.192 -4.565 709 1HB LYS 495 2HB LYS 495 7.353 7.201 -2.889 710 2HB LYS 495 1HB LYS 495 8.138 6.636 -4.357 711 1HG LYS 495 2HG LYS 495 9.691 8.263 -4.315 712 2HG LYS 495 1HG LYS 495 8.565 9.472 -3.695 713 1HD LYS 495 2HD LYS 495 8.701 8.403 -1.470 714 2HD LYS 495 1HD LYS 495 9.897 7.276 -2.110 715 1HE LYS 495 2HE LYS 495 10.594 10.026 -2.689 716 2HE LYS 495 1HE LYS 495 10.390 9.757 -0.958 717 1HZ LYS 495 1HZ LYS 495 12.521 9.099 -1.124 718 2HZ LYS 495 2HZ LYS 495 12.411 8.720 -2.769 719 3HZ LYS 495 3HZ LYS 495 11.836 7.629 -1.613 720 H ARG 496 H ARG 496 5.620 6.203 -6.004 721 HA ARG 496 HA ARG 496 7.308 6.545 -8.340 722 1HB ARG 496 2HB ARG 496 6.502 4.307 -7.238 723 2HB ARG 496 1HB ARG 496 5.056 4.575 -8.203 724 1HG ARG 496 2HG ARG 496 6.922 4.937 -10.093 725 2HG ARG 496 1HG ARG 496 7.781 3.815 -9.035 726 1HD ARG 496 2HD ARG 496 6.523 2.096 -9.689 727 2HD ARG 496 1HD ARG 496 5.030 3.008 -9.461 728 HE ARG 496 HE ARG 496 5.987 4.018 -11.765 729 1HH1 ARG 496 1HH1 ARG 496 5.461 0.745 -10.672 730 2HH1 ARG 496 2HH1 ARG 496 5.151 0.132 -12.263 731 1HH2 ARG 496 1HH2 ARG 496 5.579 3.214 -13.855 732 2HH2 ARG 496 2HH2 ARG 496 5.217 1.535 -14.069 733 H LEU 497 H LEU 497 4.029 7.188 -7.353 734 HA LEU 497 HA LEU 497 3.560 8.476 -9.949 735 1HB LEU 497 2HB LEU 497 1.824 6.481 -8.548 736 2HB LEU 497 1HB LEU 497 1.091 7.720 -9.550 737 HG LEU 497 HG LEU 497 3.285 6.262 -10.851 738 1HD1 LEU 497 1HD1 LEU 497 0.772 4.721 -10.784 739 2HD1 LEU 497 2HD1 LEU 497 1.775 4.643 -9.336 740 3HD1 LEU 497 3HD1 LEU 497 2.442 4.170 -10.898 741 1HD2 LEU 497 1HD2 LEU 497 1.618 7.949 -11.828 742 2HD2 LEU 497 2HD2 LEU 497 0.464 6.619 -11.799 743 3HD2 LEU 497 3HD2 LEU 497 1.944 6.479 -12.747 744 H GLY 498 H GLY 498 4.172 10.385 -8.719 745 1HA GLY 498 2HA GLY 498 2.241 12.127 -8.098 746 2HA GLY 498 1HA GLY 498 2.385 11.233 -6.592 747 H MET 499 H MET 499 4.733 11.021 -5.806 748 HA MET 499 HA MET 499 5.803 13.708 -5.671 749 1HB MET 499 2HB MET 499 6.445 11.139 -4.237 750 2HB MET 499 1HB MET 499 7.428 12.583 -4.042 751 1HG MET 499 2HG MET 499 5.091 13.685 -3.521 752 2HG MET 499 1HG MET 499 4.669 12.023 -3.108 753 1HE MET 499 1HE MET 499 3.977 12.666 -1.043 754 2HE MET 499 2HE MET 499 4.678 14.090 -0.278 755 3HE MET 499 3HE MET 499 5.016 12.485 0.369 756 H ASN 500 H ASN 500 6.173 11.376 -7.891 757 HA ASN 500 HA ASN 500 9.042 11.350 -8.133 758 1HB ASN 500 2HB ASN 500 8.640 10.089 -10.202 759 2HB ASN 500 1HB ASN 500 7.708 9.422 -8.865 760 1HD2 ASN 500 1HD2 ASN 500 7.578 10.206 -12.024 761 2HD2 ASN 500 2HD2 ASN 500 5.875 10.442 -12.206 Start of MODEL 14 1 2H5* G 1 H5' GUA 1 7.727 -14.662 11.432 2 H4* G 1 H4' GUA 1 9.631 -12.990 11.834 3 H3* G 1 H3' GUA 1 7.323 -12.603 10.527 4 H1* G 1 H1' GUA 1 10.679 -11.843 8.697 5 H8 G 1 8H GUA 1 8.955 -15.113 7.553 6 H1 G 1 1H GUA 1 14.282 -13.471 4.379 7 1H2 G 1 1H2 GUA 1 14.465 -10.856 6.636 8 2H2 G 1 2H2 GUA 1 15.175 -11.671 5.260 9 2H2* G 1 H2' GUA 1 8.356 -11.541 8.263 10 H5T G 1 H5T GUA 1 9.191 -16.347 10.045 11 2H5* T 2 H5' THY 2 10.448 -8.702 10.658 12 H4* T 2 H4' THY 2 12.013 -7.741 9.325 13 H3* T 2 H3' THY 2 9.613 -6.617 8.925 14 2H2* T 2 H2' THY 2 9.683 -6.531 6.225 15 H1* T 2 H1' THY 2 11.727 -7.712 5.855 16 H3 T 2 3H THY 2 11.078 -10.780 2.696 17 1H5M T 2 1H7 THY 2 8.340 -13.081 6.055 18 2H5M T 2 2H7 THY 2 7.240 -12.325 4.878 19 3H5M T 2 3H7 THY 2 7.385 -11.652 6.519 20 H6 T 2 6H THY 2 9.042 -10.032 6.944 21 2H5* T 3 H5' THY 3 13.421 -4.428 6.253 22 H4* T 3 H4' THY 3 14.325 -4.687 4.170 23 H3* T 3 H3' THY 3 12.289 -2.917 4.195 24 2H2* T 3 H2' THY 3 11.139 -3.704 1.875 25 H1* T 3 H1' THY 3 12.510 -5.617 1.433 26 H3 T 3 3H THY 3 10.028 -9.177 0.404 27 1H5M T 3 1H7 THY 3 8.323 -8.192 5.155 28 2H5M T 3 2H7 THY 3 7.134 -8.545 3.879 29 3H5M T 3 3H7 THY 3 7.447 -6.862 4.363 30 H6 T 3 6H THY 3 9.939 -6.103 4.050 31 2H5* A 4 H5' ADE 4 14.797 -2.784 -0.495 32 H4* A 4 H4' ADE 4 14.574 -4.034 -2.422 33 H3* A 4 H3' ADE 4 12.960 -1.866 -2.296 34 H1* A 4 H1' ADE 4 11.626 -5.284 -3.500 35 H8 A 4 8H ADE 4 10.326 -4.367 0.043 36 1H6 A 4 1H6 ADE 4 7.170 -8.039 0.484 37 2H6 A 4 2H6 ADE 4 6.767 -9.399 -0.538 38 H2 A 4 2H ADE 4 9.354 -9.097 -4.188 39 2H2* A 4 H2' ADE 4 10.781 -3.043 -3.391 40 2H5* G 5 H5' GUA 5 13.419 -3.972 -6.912 41 H4* G 5 H4' GUA 5 12.330 -5.485 -8.180 42 H3* G 5 H3' GUA 5 11.227 -3.058 -8.541 43 H1* G 5 H1' GUA 5 8.953 -6.140 -7.904 44 H8 G 5 8H GUA 5 9.328 -3.855 -4.794 45 H1 G 5 1H GUA 5 4.981 -8.550 -4.356 46 1H2 G 5 1H2 GUA 5 6.056 -9.436 -7.524 47 2H2 G 5 2H2 GUA 5 4.985 -9.769 -6.181 48 2H2* G 5 H2' GUA 5 8.638 -3.844 -8.493 49 2H5* G 6 H5' GUA 6 9.454 -6.666 -11.521 50 H4* G 6 H4' GUA 6 7.652 -7.995 -11.754 51 H3* G 6 H3' GUA 6 7.120 -5.595 -12.858 52 H1* G 6 H1' GUA 6 4.539 -7.271 -10.503 53 H8 G 6 8H GUA 6 6.414 -4.322 -8.831 54 H1 G 6 1H GUA 6 1.603 -6.894 -5.460 55 1H2 G 6 1H2 GUA 6 1.351 -9.127 -8.090 56 2H2 G 6 2H2 GUA 6 0.748 -8.605 -6.533 57 2H2* G 6 H2' GUA 6 4.597 -5.337 -11.913 58 2H5* G 7 H5' GUA 7 3.530 -9.137 -14.152 59 H4* G 7 H4' GUA 7 1.542 -9.876 -13.255 60 H3* G 7 H3' GUA 7 1.256 -7.885 -15.033 61 H1* G 7 H1' GUA 7 -0.608 -7.681 -11.622 62 H8 G 7 8H GUA 7 2.562 -5.456 -11.792 63 H1 G 7 1H GUA 7 -1.225 -4.612 -6.686 64 1H2 G 7 1H2 GUA 7 -3.127 -7.162 -8.048 65 2H2 G 7 2H2 GUA 7 -2.916 -6.010 -6.747 66 2H2* G 7 H2' GUA 7 -0.587 -6.452 -13.663 67 2H5* T 8 H5' THY 8 -2.907 -9.953 -13.343 68 H4* T 8 H4' THY 8 -4.600 -9.618 -11.882 69 H3* T 8 H3' THY 8 -5.190 -8.477 -14.252 70 2H2* T 8 H2' THY 8 -6.262 -6.197 -13.260 71 H1* T 8 H1' THY 8 -5.749 -6.515 -10.951 72 H3 T 8 3H THY 8 -4.058 -2.680 -9.458 73 1H5M T 8 1H7 THY 8 -0.111 -4.366 -12.225 74 2H5M T 8 2H7 THY 8 -1.071 -3.895 -13.649 75 3H5M T 8 3H7 THY 8 -0.598 -2.671 -12.448 76 H6 T 8 6H THY 8 -2.611 -5.773 -12.788 77 2H5* T 9 H5' THY 9 -9.049 -8.744 -10.926 78 H4* T 9 H4' THY 9 -9.935 -7.417 -9.320 79 H3* T 9 H3' THY 9 -11.077 -6.887 -11.703 80 2H2* T 9 H2' THY 9 -11.118 -4.191 -11.460 81 H1* T 9 H1' THY 9 -9.883 -3.989 -9.421 82 H3 T 9 3H THY 9 -6.698 -0.899 -9.833 83 1H5M T 9 1H7 THY 9 -4.840 -4.040 -13.210 84 2H5M T 9 2H7 THY 9 -6.351 -4.059 -14.152 85 3H5M T 9 3H7 THY 9 -5.431 -2.547 -13.976 86 H6 T 9 6H THY 9 -7.777 -4.796 -12.359 87 2H5* A 10 H5' ADE 10 -13.231 -4.627 -7.712 88 H4* A 10 H4' ADE 10 -13.063 -2.601 -6.711 89 H3* A 10 H3' ADE 10 -14.972 -2.569 -8.625 90 H1* A 10 H1' ADE 10 -12.418 0.311 -8.321 91 H8 A 10 8H ADE 10 -11.761 -1.912 -11.434 92 1H6 A 10 1H6 ADE 10 -8.219 0.797 -13.364 93 2H6 A 10 2H6 ADE 10 -7.395 2.245 -12.835 94 H2 A 10 2H ADE 10 -9.181 3.381 -8.881 95 2H2* A 10 H2' ADE 10 -14.393 -0.119 -9.613 96 2H5* G 11 H5' GUA 11 -15.735 1.708 -5.377 97 H4* G 11 H4' GUA 11 -14.296 3.582 -5.313 98 H3* G 11 H3' GUA 11 -16.667 3.802 -6.603 99 H1* G 11 H1' GUA 11 -13.406 5.178 -8.148 100 H8 G 11 8H GUA 11 -14.512 1.852 -9.820 101 H1 G 11 1H GUA 11 -9.855 5.116 -12.789 102 1H2 G 11 1H2 GUA 11 -10.160 7.351 -10.165 103 2H2 G 11 2H2 GUA 11 -9.352 6.928 -11.658 104 2H2* G 11 H2' GUA 11 -15.744 5.275 -8.680 105 2H5* G 12 H5' GUA 12 -14.713 8.490 -5.269 106 H4* G 12 H4' GUA 12 -13.066 9.775 -6.281 107 H3* G 12 H3' GUA 12 -15.593 10.527 -6.803 108 H1* G 12 H1' GUA 12 -13.045 10.214 -9.716 109 H8 G 12 8H GUA 12 -15.335 7.092 -9.421 110 H1 G 12 1H GUA 12 -12.058 7.708 -14.900 111 1H2 G 12 1H2 GUA 12 -10.802 10.601 -13.476 112 2H2 G 12 2H2 GUA 12 -10.826 9.525 -14.854 113 2H2* G 12 H2' GUA 12 -15.290 10.990 -9.448 114 2H5* G 13 H5' GUA 13 -12.320 14.337 -8.494 115 H4* G 13 H4' GUA 13 -11.090 14.657 -10.495 116 H3* G 13 H3' GUA 13 -13.421 15.954 -10.187 117 H1* G 13 H1' GUA 13 -12.710 14.063 -13.509 118 H8 G 13 8H GUA 13 -14.981 12.050 -11.087 119 H1 G 13 1H GUA 13 -14.683 9.926 -17.132 120 1H2 G 13 1H2 GUA 13 -12.494 12.561 -17.632 121 2H2 G 13 2H2 GUA 13 -13.332 11.187 -18.318 122 H3T G 13 H3T GUA 13 -11.737 15.941 -12.477 123 2H2* G 13 H2' GUA 13 -14.398 15.532 -12.674 124 2H5* C 14 H5' CYT 14 -13.701 7.008 -25.531 125 H4* C 14 H4' CYT 14 -12.536 9.103 -24.783 126 H3* C 14 H3' CYT 14 -11.714 6.581 -24.357 127 H1* C 14 H1' CYT 14 -11.978 9.040 -21.356 128 1H4 C 14 1H4 CYT 14 -17.123 6.842 -17.801 129 2H4 C 14 2H4 CYT 14 -16.362 8.127 -16.893 130 H5 C 14 5H CYT 14 -16.349 6.137 -19.987 131 H6 C 14 6H CYT 14 -14.695 6.526 -21.736 132 2H2* C 14 H2' CYT 14 -11.154 6.829 -21.721 133 H5T C 14 H5T CYT 14 -15.607 6.559 -24.258 134 2H5* C 15 H5' CYT 15 -8.049 9.978 -22.834 135 H4* C 15 H4' CYT 15 -7.590 11.007 -20.841 136 H3* C 15 H3' CYT 15 -6.321 8.649 -21.109 137 H1* C 15 H1' CYT 15 -8.192 9.465 -17.800 138 1H4 C 15 1H4 CYT 15 -13.453 5.430 -17.769 139 2H4 C 15 2H4 CYT 15 -13.353 6.184 -16.194 140 H5 C 15 5H CYT 15 -11.890 5.907 -19.558 141 H6 C 15 6H CYT 15 -9.924 7.199 -20.196 142 2H2* C 15 H2' CYT 15 -6.738 7.745 -18.592 143 2H5* C 16 H5' CYT 16 -5.123 11.462 -17.223 144 H4* C 16 H4' CYT 16 -5.502 11.582 -15.017 145 H3* C 16 H3' CYT 16 -3.380 9.983 -15.386 146 H1* C 16 H1' CYT 16 -6.274 8.785 -13.066 147 1H4 C 16 1H4 CYT 16 -9.295 3.981 -16.494 148 2H4 C 16 2H4 CYT 16 -9.856 3.888 -14.840 149 H5 C 16 5H CYT 16 -7.696 5.639 -17.251 150 H6 C 16 6H CYT 16 -6.317 7.533 -16.573 151 2H2* C 16 H2' CYT 16 -4.095 8.031 -13.646 152 2H5* T 17 H5' THY 17 -3.967 11.616 -10.401 153 H4* T 17 H4' THY 17 -5.440 10.716 -8.895 154 H3* T 17 H3' THY 17 -2.911 9.749 -8.643 155 2H2* T 17 H2' THY 17 -3.661 7.209 -8.049 156 H1* T 17 H1' THY 17 -6.012 7.454 -8.459 157 H3 T 17 3H THY 17 -7.358 3.952 -10.857 158 1H5M T 17 1H7 THY 17 -4.685 5.999 -14.470 159 2H5M T 17 2H7 THY 17 -3.207 6.132 -13.489 160 3H5M T 17 3H7 THY 17 -3.869 4.529 -13.886 161 H6 T 17 6H THY 17 -4.073 7.325 -11.620 162 2H5* A 18 H5' ADE 18 -5.921 8.452 -4.842 163 H4* A 18 H4' ADE 18 -6.877 6.644 -3.929 164 H3* A 18 H3' ADE 18 -4.270 6.547 -3.332 165 H1* A 18 H1' ADE 18 -5.969 3.376 -4.821 166 H8 A 18 8H ADE 18 -3.626 5.201 -7.299 167 1H6 A 18 1H6 ADE 18 -4.087 2.072 -10.990 168 2H6 A 18 2H6 ADE 18 -5.069 0.644 -11.234 169 H2 A 18 2H ADE 18 -7.500 0.087 -7.507 170 2H2* A 18 H2' ADE 18 -3.845 3.936 -3.909 171 2H5* A 19 H5' ADE 19 -7.213 3.104 -1.879 172 H4* A 19 H4' ADE 19 -7.901 0.999 -1.556 173 H3* A 19 H3' ADE 19 -5.586 1.223 -0.296 174 H1* A 19 H1' ADE 19 -5.757 -1.657 -3.092 175 H8 A 19 8H ADE 19 -3.805 1.594 -3.746 176 1H6 A 19 1H6 ADE 19 -2.464 0.619 -8.316 177 2H6 A 19 2H6 ADE 19 -2.844 -0.679 -9.425 178 H2 A 19 2H ADE 19 -5.639 -3.448 -7.271 179 2H2* A 19 H2' ADE 19 -4.418 -1.053 -1.294 180 2H5* C 20 H5' CYT 20 -7.661 -3.364 -0.302 181 H4* C 20 H4' CYT 20 -7.448 -5.222 -1.568 182 H3* C 20 H3' CYT 20 -5.687 -5.300 0.468 183 H1* C 20 H1' CYT 20 -4.529 -6.150 -3.135 184 1H4 C 20 1H4 CYT 20 -0.587 -1.136 -4.940 185 2H4 C 20 2H4 CYT 20 -0.481 -2.366 -6.178 186 H5 C 20 5H CYT 20 -2.010 -1.349 -2.990 187 H6 C 20 6H CYT 20 -3.611 -2.786 -1.837 188 2H2* C 20 H2' CYT 20 -3.577 -6.237 -0.944 189 2H5* C 21 H5' CYT 21 -6.346 -9.995 -1.779 190 H4* C 21 H4' CYT 21 -5.368 -10.886 -3.649 191 H3* C 21 H3' CYT 21 -4.104 -11.583 -1.377 192 H1* C 21 H1' CYT 21 -2.059 -10.356 -4.433 193 1H4 C 21 1H4 CYT 21 0.324 -4.422 -2.686 194 2H4 C 21 2H4 CYT 21 1.084 -4.877 -4.195 195 H5 C 21 5H CYT 21 -1.326 -5.804 -1.572 196 H6 C 21 6H CYT 21 -2.573 -7.900 -1.683 197 2H2* C 21 H2' CYT 21 -1.574 -11.292 -2.288 198 2H5* C 22 H5' CYT 22 -2.176 -14.123 -5.373 199 H4* C 22 H4' CYT 22 -0.295 -14.253 -6.642 200 H3* C 22 H3' CYT 22 0.065 -15.434 -4.255 201 H1* C 22 H1' CYT 22 2.751 -12.956 -5.585 202 1H4 C 22 1H4 CYT 22 2.213 -7.616 -1.694 203 2H4 C 22 2H4 CYT 22 3.629 -7.400 -2.697 204 H5 C 22 5H CYT 22 0.773 -9.557 -1.850 205 H6 C 22 6H CYT 22 0.402 -11.679 -2.995 206 2H2* C 22 H2' CYT 22 2.535 -14.457 -3.743 207 2H5* T 23 H5' THY 23 3.767 -15.960 -7.551 208 H4* T 23 H4' THY 23 5.801 -15.130 -8.017 209 H3* T 23 H3' THY 23 6.079 -17.087 -6.193 210 2H2* T 23 H2' THY 23 7.868 -15.830 -4.601 211 H1* T 23 H1' THY 23 7.881 -13.690 -5.668 212 H3 T 23 3H THY 23 7.494 -10.517 -2.570 213 1H5M T 23 1H7 THY 23 3.284 -13.850 -1.992 214 2H5M T 23 2H7 THY 23 2.986 -12.101 -1.847 215 3H5M T 23 3H7 THY 23 3.936 -12.950 -0.603 216 H6 T 23 6H THY 23 4.752 -14.234 -3.751 217 2H5* A 24 H5' ADE 24 10.605 -15.605 -8.251 218 H4* A 24 H4' ADE 24 12.157 -14.037 -7.708 219 H3* A 24 H3' ADE 24 12.667 -16.365 -6.462 220 H1* A 24 H1' ADE 24 12.759 -13.044 -4.448 221 H8 A 24 8H ADE 24 9.603 -15.184 -3.724 222 1H6 A 24 1H6 ADE 24 7.859 -12.459 -0.096 223 2H6 A 24 2H6 ADE 24 8.378 -10.956 0.631 224 H2 A 24 2H ADE 24 12.082 -9.674 -1.550 225 2H2* A 24 H2' ADE 24 13.298 -15.334 -4.039 226 2H5* A 25 H5' ADE 25 16.755 -13.086 -6.199 227 H4* A 25 H4' ADE 25 17.226 -11.372 -4.744 228 H3* A 25 H3' ADE 25 18.354 -13.713 -4.042 229 H1* A 25 H1' ADE 25 16.499 -11.583 -1.380 230 H8 A 25 8H ADE 25 14.435 -14.656 -2.553 231 1H6 A 25 1H6 ADE 25 10.921 -14.315 0.788 232 2H6 A 25 2H6 ADE 25 10.600 -13.178 2.076 233 H2 A 25 2H ADE 25 13.878 -10.121 1.956 234 2H2* A 25 H2' ADE 25 17.848 -13.556 -1.388 235 2H5* C 26 H5' CYT 26 20.271 -9.721 -1.288 236 H4* C 26 H4' CYT 26 19.542 -8.683 0.657 237 H3* C 26 H3' CYT 26 21.492 -10.496 0.991 238 H1* C 26 H1' CYT 26 18.374 -10.611 3.317 239 1H4 C 26 1H4 CYT 26 15.029 -16.006 1.404 240 2H4 C 26 2H4 CYT 26 14.349 -15.469 2.923 241 H5 C 26 5H CYT 26 16.861 -14.863 0.305 242 H6 C 26 6H CYT 26 18.403 -12.978 0.442 243 H3T C 26 H3T CYT 26 21.174 -9.762 3.369 244 2H2* C 26 H2' CYT 26 20.485 -11.714 3.187 245 1H GLU 438 H GLU 438 -30.452 4.977 6.734 246 HA GLU 438 HA GLU 438 -30.473 4.571 3.814 247 1HB GLU 438 2HB GLU 438 -28.294 5.133 5.675 248 2HB GLU 438 1HB GLU 438 -27.989 3.712 4.685 249 1HG GLU 438 2HG GLU 438 -28.937 5.548 2.871 250 2HG GLU 438 1HG GLU 438 -27.972 6.529 3.973 251 H ASP 439 H ASP 439 -31.230 2.645 3.263 252 HA ASP 439 HA ASP 439 -30.794 0.381 5.098 253 1HB ASP 439 2HB ASP 439 -32.838 -0.615 4.015 254 2HB ASP 439 1HB ASP 439 -33.145 0.834 4.965 255 H SER 440 H SER 440 -30.460 -1.708 4.131 256 HA SER 440 HA SER 440 -28.890 -1.514 1.682 257 1HB SER 440 2HB SER 440 -29.137 -3.602 3.838 258 2HB SER 440 1HB SER 440 -28.335 -3.955 2.309 259 HG SER 440 HG SER 440 -26.663 -2.909 3.007 260 H THR 441 H THR 441 -29.258 -2.747 -0.154 261 HA THR 441 HA THR 441 -31.431 -4.609 -0.323 262 HB THR 441 HB THR 441 -32.328 -2.986 -2.313 263 HG1 THR 441 1HG THR 441 -31.704 -1.262 -0.154 264 1HG2 THR 441 1HG2 THR 441 -33.675 -4.090 -0.525 265 2HG2 THR 441 2HG2 THR 441 -34.213 -2.472 -0.975 266 3HG2 THR 441 3HG2 THR 441 -33.302 -2.715 0.514 267 H THR 442 H THR 442 -29.616 -2.355 -2.412 268 HA THR 442 HA THR 442 -29.020 -4.613 -4.196 269 HB THR 442 HB THR 442 -30.135 -2.646 -5.207 270 HG1 THR 442 1HG THR 442 -28.812 -2.586 -6.967 271 1HG2 THR 442 1HG2 THR 442 -27.908 -1.205 -3.957 272 2HG2 THR 442 2HG2 THR 442 -29.521 -0.650 -4.406 273 3HG2 THR 442 3HG2 THR 442 -28.257 -0.763 -5.628 274 H ASN 443 H ASN 443 -27.643 -4.040 -1.651 275 HA ASN 443 HA ASN 443 -25.531 -4.058 -0.798 276 1HB ASN 443 2HB ASN 443 -25.314 -5.236 -3.460 277 2HB ASN 443 1HB ASN 443 -23.808 -4.492 -2.929 278 1HD2 ASN 443 1HD2 ASN 443 -26.376 -6.645 -1.782 279 2HD2 ASN 443 2HD2 ASN 443 -25.336 -7.681 -0.869 280 H ILE 444 H ILE 444 -23.504 -2.870 -0.707 281 HA ILE 444 HA ILE 444 -23.362 -0.499 -2.417 282 HB ILE 444 HB ILE 444 -22.834 0.857 -0.305 283 1HG1 ILE 444 2HG1 ILE 444 -24.581 -1.178 1.059 284 2HG1 ILE 444 1HG1 ILE 444 -22.825 -1.324 1.092 285 1HG2 ILE 444 1HG2 ILE 444 -24.813 1.232 -1.651 286 2HG2 ILE 444 2HG2 ILE 444 -25.214 1.365 0.060 287 3HG2 ILE 444 3HG2 ILE 444 -25.649 -0.090 -0.835 288 1HD1 ILE 444 1HD1 ILE 444 -24.498 0.221 2.758 289 2HD1 ILE 444 2HD1 ILE 444 -23.509 1.333 1.811 290 3HD1 ILE 444 3HD1 ILE 444 -22.740 0.082 2.788 291 H THR 445 H THR 445 -21.407 -0.661 -3.294 292 HA THR 445 HA THR 445 -19.219 -1.937 -1.916 293 HB THR 445 HB THR 445 -18.030 -0.955 -4.099 294 HG1 THR 445 1HG THR 445 -19.592 0.186 -5.032 295 1HG2 THR 445 1HG2 THR 445 -18.528 -2.953 -5.290 296 2HG2 THR 445 2HG2 THR 445 -19.988 -3.221 -4.335 297 3HG2 THR 445 3HG2 THR 445 -18.401 -3.356 -3.577 298 H LYS 446 H LYS 446 -17.031 -0.840 -1.932 299 HA LYS 446 HA LYS 446 -16.782 1.959 -1.909 300 1HB LYS 446 2HB LYS 446 -17.970 0.870 0.449 301 2HB LYS 446 1HB LYS 446 -16.366 1.458 0.862 302 1HG LYS 446 2HG LYS 446 -17.584 3.418 -0.770 303 2HG LYS 446 1HG LYS 446 -18.764 2.932 0.448 304 1HD LYS 446 2HD LYS 446 -16.515 3.146 1.954 305 2HD LYS 446 1HD LYS 446 -16.233 4.396 0.744 306 1HE LYS 446 2HE LYS 446 -18.306 5.474 1.284 307 2HE LYS 446 1HE LYS 446 -18.771 4.146 2.348 308 1HZ LYS 446 1HZ LYS 446 -16.250 5.452 2.968 309 2HZ LYS 446 2HZ LYS 446 -17.473 4.903 4.003 310 3HZ LYS 446 3HZ LYS 446 -17.640 6.386 3.208 311 H LYS 447 H LYS 447 -14.697 2.400 -2.171 312 HA LYS 447 HA LYS 447 -12.747 0.289 -1.730 313 1HB LYS 447 2HB LYS 447 -12.944 1.787 -3.831 314 2HB LYS 447 1HB LYS 447 -12.136 3.008 -2.856 315 1HG LYS 447 2HG LYS 447 -10.227 2.134 -3.559 316 2HG LYS 447 1HG LYS 447 -10.574 0.759 -2.507 317 1HD LYS 447 2HD LYS 447 -11.866 -0.236 -4.444 318 2HD LYS 447 1HD LYS 447 -11.186 1.042 -5.449 319 1HE LYS 447 2HE LYS 447 -8.897 0.210 -4.637 320 2HE LYS 447 1HE LYS 447 -9.760 -1.216 -4.063 321 1HZ LYS 447 1HZ LYS 447 -9.846 -0.245 -6.864 322 2HZ LYS 447 2HZ LYS 447 -10.469 -1.700 -6.269 323 3HZ LYS 447 3HZ LYS 447 -8.796 -1.452 -6.312 324 H GLN 448 H GLN 448 -11.656 0.155 0.111 325 HA GLN 448 HA GLN 448 -11.582 2.366 1.964 326 1HB GLN 448 2HB GLN 448 -10.502 -0.449 2.073 327 2HB GLN 448 1HB GLN 448 -10.247 0.718 3.361 328 1HG GLN 448 2HG GLN 448 -12.823 0.947 3.327 329 2HG GLN 448 1HG GLN 448 -12.775 -0.596 2.473 330 1HE2 GLN 448 1HE2 GLN 448 -12.123 -2.435 3.554 331 2HE2 GLN 448 2HE2 GLN 448 -11.973 -2.502 5.275 332 H LYS 449 H LYS 449 -10.363 3.818 0.589 333 HA LYS 449 HA LYS 449 -7.669 3.180 -0.126 334 1HB LYS 449 2HB LYS 449 -7.543 5.609 -0.736 335 2HB LYS 449 1HB LYS 449 -8.839 4.720 -1.525 336 1HG LYS 449 2HG LYS 449 -9.983 5.721 0.807 337 2HG LYS 449 1HG LYS 449 -8.969 7.029 0.197 338 1HD LYS 449 2HD LYS 449 -10.293 7.387 -1.584 339 2HD LYS 449 1HD LYS 449 -10.549 5.665 -1.863 340 1HE LYS 449 2HE LYS 449 -12.383 5.575 -0.495 341 2HE LYS 449 1HE LYS 449 -11.836 6.916 0.508 342 1HZ LYS 449 1HZ LYS 449 -13.800 7.340 -1.006 343 2HZ LYS 449 2HZ LYS 449 -12.704 7.309 -2.292 344 3HZ LYS 449 3HZ LYS 449 -12.542 8.469 -1.073 345 H TRP 450 H TRP 450 -7.350 2.512 2.256 346 HA TRP 450 HA TRP 450 -6.367 2.839 4.286 347 1HB TRP 450 2HB TRP 450 -4.951 4.466 2.283 348 2HB TRP 450 1HB TRP 450 -4.561 4.832 3.961 349 HD1 TRP 450 HD TRP 450 -5.151 1.396 2.256 350 HE1 TRP 450 1HE TRP 450 -3.097 -0.081 2.712 351 HE3 TRP 450 3HE TRP 450 -2.277 4.769 4.806 352 HZ2 TRP 450 2HZ TRP 450 -0.587 0.150 3.985 353 HZ3 TRP 450 3HZ TRP 450 -0.062 4.061 5.611 354 HH2 TRP 450 HH TRP 450 0.764 1.798 5.207 355 H THR 451 H THR 451 -5.660 4.626 5.943 356 HA THR 451 HA THR 451 -7.878 6.549 6.112 357 HB THR 451 HB THR 451 -6.873 6.448 8.642 358 HG1 THR 451 1HG THR 451 -6.317 4.372 9.118 359 1HG2 THR 451 1HG2 THR 451 -9.212 5.590 7.364 360 2HG2 THR 451 2HG2 THR 451 -8.945 5.842 9.090 361 3HG2 THR 451 3HG2 THR 451 -8.675 4.251 8.379 362 H VAL 452 H VAL 452 -7.330 8.540 7.440 363 HA VAL 452 HA VAL 452 -5.050 9.804 6.235 364 HB VAL 452 HB VAL 452 -5.767 11.831 7.386 365 1HG1 VAL 452 1HG1 VAL 452 -8.181 10.415 6.279 366 2HG1 VAL 452 2HG1 VAL 452 -6.873 11.051 5.280 367 3HG1 VAL 452 3HG1 VAL 452 -7.844 12.145 6.265 368 1HG2 VAL 452 1HG2 VAL 452 -8.212 10.683 8.525 369 2HG2 VAL 452 2HG2 VAL 452 -7.122 11.907 9.173 370 3HG2 VAL 452 3HG2 VAL 452 -6.728 10.197 9.345 371 H GLU 453 H GLU 453 -5.626 8.156 9.190 372 HA GLU 453 HA GLU 453 -3.577 9.489 10.706 373 1HB GLU 453 2HB GLU 453 -5.278 7.053 11.140 374 2HB GLU 453 1HB GLU 453 -3.924 7.399 12.206 375 1HG GLU 453 2HG GLU 453 -5.026 9.014 13.274 376 2HG GLU 453 1HG GLU 453 -5.668 9.692 11.777 377 H GLU 454 H GLU 454 -3.887 6.369 9.043 378 HA GLU 454 HA GLU 454 -1.386 5.322 9.700 379 1HB GLU 454 2HB GLU 454 -3.124 4.908 7.268 380 2HB GLU 454 1HB GLU 454 -1.662 3.981 7.573 381 1HG GLU 454 2HG GLU 454 -2.857 3.555 9.894 382 2HG GLU 454 1HG GLU 454 -4.295 3.883 8.930 383 H SER 455 H SER 455 -2.349 7.505 7.106 384 HA SER 455 HA SER 455 0.124 7.464 5.723 385 1HB SER 455 2HB SER 455 -2.199 9.384 5.747 386 2HB SER 455 1HB SER 455 -0.756 9.688 4.778 387 HG SER 455 HG SER 455 -1.451 8.286 3.388 388 H GLU 456 H GLU 456 -0.942 9.072 8.583 389 HA GLU 456 HA GLU 456 1.055 11.148 8.494 390 1HB GLU 456 2HB GLU 456 -1.211 11.273 9.679 391 2HB GLU 456 1HB GLU 456 -0.487 10.275 10.932 392 1HG GLU 456 2HG GLU 456 1.319 12.362 10.495 393 2HG GLU 456 1HG GLU 456 -0.281 13.103 10.501 394 H TRP 457 H TRP 457 0.711 7.977 9.962 395 HA TRP 457 HA TRP 457 3.000 8.186 11.648 396 1HB TRP 457 2HB TRP 457 1.788 5.621 10.621 397 2HB TRP 457 1HB TRP 457 2.680 5.872 12.117 398 HD1 TRP 457 HD TRP 457 0.923 8.579 12.879 399 HE1 TRP 457 1HE TRP 457 -1.423 8.201 13.868 400 HE3 TRP 457 3HE TRP 457 0.131 3.787 11.280 401 HZ2 TRP 457 2HZ TRP 457 -3.355 6.140 13.962 402 HZ3 TRP 457 3HZ TRP 457 -1.992 2.688 11.858 403 HH2 TRP 457 HH TRP 457 -3.699 3.840 13.171 404 H VAL 458 H VAL 458 2.447 7.138 8.357 405 HA VAL 458 HA VAL 458 4.948 5.848 7.974 406 HB VAL 458 HB VAL 458 3.175 7.115 5.881 407 1HG1 VAL 458 1HG1 VAL 458 5.515 5.253 5.757 408 2HG1 VAL 458 2HG1 VAL 458 5.182 6.697 4.800 409 3HG1 VAL 458 3HG1 VAL 458 4.273 5.214 4.505 410 1HG2 VAL 458 1HG2 VAL 458 2.820 4.373 5.788 411 2HG2 VAL 458 2HG2 VAL 458 1.689 5.554 6.452 412 3HG2 VAL 458 3HG2 VAL 458 2.839 4.738 7.514 413 H LYS 459 H LYS 459 3.781 9.110 7.168 414 HA LYS 459 HA LYS 459 6.038 10.085 5.896 415 1HB LYS 459 2HB LYS 459 3.928 11.419 7.567 416 2HB LYS 459 1HB LYS 459 5.250 12.346 6.870 417 1HG LYS 459 2HG LYS 459 4.524 11.234 4.646 418 2HG LYS 459 1HG LYS 459 3.013 10.915 5.500 419 1HD LYS 459 2HD LYS 459 2.371 13.059 5.379 420 2HD LYS 459 1HD LYS 459 3.969 13.654 5.826 421 1HE LYS 459 2HE LYS 459 4.578 12.887 3.387 422 2HE LYS 459 1HE LYS 459 2.843 13.065 3.131 423 1HZ LYS 459 1HZ LYS 459 3.687 15.136 2.597 424 2HZ LYS 459 2HZ LYS 459 4.823 15.127 3.851 425 3HZ LYS 459 3HZ LYS 459 3.182 15.357 4.198 426 H ALA 460 H ALA 460 5.264 10.200 9.369 427 HA ALA 460 HA ALA 460 7.798 11.390 10.035 428 1HB ALA 460 1HB ALA 460 5.781 10.137 11.894 429 2HB ALA 460 2HB ALA 460 5.724 11.810 11.334 430 3HB ALA 460 3HB ALA 460 7.076 11.254 12.323 431 H GLY 461 H GLY 461 6.604 8.176 9.639 432 1HA GLY 461 2HA GLY 461 8.434 6.837 11.350 433 2HA GLY 461 1HA GLY 461 7.536 6.110 10.027 434 H VAL 462 H VAL 462 8.569 7.757 7.940 435 HA VAL 462 HA VAL 462 11.128 6.438 7.584 436 HB VAL 462 HB VAL 462 9.725 8.268 5.639 437 1HG1 VAL 462 1HG1 VAL 462 11.569 6.000 4.980 438 2HG1 VAL 462 2HG1 VAL 462 12.196 7.597 5.382 439 3HG1 VAL 462 3HG1 VAL 462 11.125 7.393 3.997 440 1HG2 VAL 462 1HG2 VAL 462 8.093 6.699 5.756 441 2HG2 VAL 462 2HG2 VAL 462 9.176 5.464 6.404 442 3HG2 VAL 462 3HG2 VAL 462 9.184 5.829 4.678 443 H GLN 463 H GLU 463 9.870 9.700 7.960 444 HA GLN 463 HA GLU 463 12.293 11.041 7.329 445 1HB GLN 463 2HB GLU 463 9.796 11.873 8.790 446 2HB GLN 463 1HB GLU 463 11.162 12.962 8.591 447 1HG GLN 463 2HG GLU 463 10.655 11.936 6.045 448 2HG GLN 463 1HG GLU 463 9.074 12.288 6.740 449 H LYS 464 H LYS 464 11.281 9.297 10.086 450 HA LYS 464 HA LYS 464 13.316 10.613 11.751 451 1HB LYS 464 2HB LYS 464 10.849 9.039 12.427 452 2HB LYS 464 1HB LYS 464 12.133 9.254 13.607 453 1HG LYS 464 2HG LYS 464 11.783 11.804 12.824 454 2HG LYS 464 1HG LYS 464 10.152 11.175 12.586 455 1HD LYS 464 2HD LYS 464 10.698 10.138 15.007 456 2HD LYS 464 1HD LYS 464 11.685 11.601 15.075 457 1HE LYS 464 2HE LYS 464 9.056 12.134 13.988 458 2HE LYS 464 1HE LYS 464 8.958 11.394 15.585 459 1HZ LYS 464 1HZ LYS 464 10.761 13.160 16.151 460 2HZ LYS 464 2HZ LYS 464 9.127 13.600 16.112 461 3HZ LYS 464 3HZ LYS 464 10.133 13.967 14.803 462 H TYR 465 H TYR 465 12.028 7.366 11.022 463 HA TYR 465 HA TYR 465 14.466 6.146 12.020 464 1HB TYR 465 2HB TYR 465 11.946 4.938 10.864 465 2HB TYR 465 1HB TYR 465 13.304 4.003 11.483 466 HD1 TYR 465 1HD TYR 465 13.862 4.104 13.911 467 HD2 TYR 465 2HD TYR 465 10.341 5.897 12.333 468 HE1 TYR 465 1HE TYR 465 12.905 4.203 16.174 469 HE2 TYR 465 2HE TYR 465 9.376 6.001 14.593 470 HH TYR 465 HH TYR 465 10.328 6.073 17.003 471 H GLY 466 H GLY 466 12.748 6.514 8.943 472 1HA GLY 466 2HA GLY 466 14.253 6.947 7.009 473 2HA GLY 466 1HA GLY 466 15.206 5.588 7.585 474 H GLU 467 H GLU 467 14.642 5.245 5.120 475 HA GLU 467 HA GLU 467 12.057 3.957 4.764 476 1HB GLU 467 2HB GLU 467 13.505 5.456 3.072 477 2HB GLU 467 1HB GLU 467 14.117 3.868 2.626 478 1HG GLU 467 2HG GLU 467 11.624 3.218 2.456 479 2HG GLU 467 1HG GLU 467 11.347 4.957 2.391 480 H GLY 468 H GLY 468 11.768 1.786 4.241 481 1HA GLY 468 2HA GLY 468 12.435 -0.436 3.878 482 2HA GLY 468 1HA GLY 468 14.086 0.016 4.276 483 H ASN 469 H ASN 469 12.736 1.425 6.727 484 HA ASN 469 HA ASN 469 12.809 -0.986 8.398 485 1HB ASN 469 2HB ASN 469 13.837 1.711 8.710 486 2HB ASN 469 1HB ASN 469 12.837 1.247 10.083 487 1HD2 ASN 469 1HD2 ASN 469 15.830 0.889 8.516 488 2HD2 ASN 469 2HD2 ASN 469 16.525 -0.268 9.595 489 H TRP 470 H TRP 470 10.555 -1.323 7.544 490 HA TRP 470 HA TRP 470 8.510 0.392 8.682 491 1HB TRP 470 2HB TRP 470 7.992 -2.231 7.303 492 2HB TRP 470 1HB TRP 470 6.960 -0.810 7.384 493 HD1 TRP 470 HD TRP 470 9.153 -2.554 5.055 494 HE1 TRP 470 1HE TRP 470 9.823 -1.038 3.086 495 HE3 TRP 470 3HE TRP 470 7.710 1.961 6.977 496 HZ2 TRP 470 2HZ TRP 470 9.752 1.707 2.434 497 HZ3 TRP 470 3HZ TRP 470 8.045 3.982 5.614 498 HH2 TRP 470 HH TRP 470 9.046 3.858 3.391 499 H ALA 471 H ALA 471 9.939 -2.750 9.238 500 HA ALA 471 HA ALA 471 8.123 -3.981 10.884 501 1HB ALA 471 1HB ALA 471 11.129 -3.963 11.160 502 2HB ALA 471 2HB ALA 471 10.158 -5.089 10.206 503 3HB ALA 471 3HB ALA 471 10.048 -5.098 11.967 504 H ALA 472 H ALA 472 10.624 -1.655 11.895 505 HA ALA 472 HA ALA 472 9.879 -1.659 14.632 506 1HB ALA 472 1HB ALA 472 11.359 0.478 13.099 507 2HB ALA 472 2HB ALA 472 12.093 -0.929 13.866 508 3HB ALA 472 3HB ALA 472 11.302 0.299 14.852 509 H ILE 473 H ILE 473 9.001 0.411 11.900 510 HA ILE 473 HA ILE 473 7.603 2.384 13.289 511 HB ILE 473 HB ILE 473 6.999 1.307 10.529 512 1HG1 ILE 473 2HG1 ILE 473 8.677 3.703 11.287 513 2HG1 ILE 473 1HG1 ILE 473 9.359 2.115 10.957 514 1HG2 ILE 473 1HG2 ILE 473 6.317 3.982 11.743 515 2HG2 ILE 473 2HG2 ILE 473 5.178 2.662 11.482 516 3HG2 ILE 473 3HG2 ILE 473 5.947 3.449 10.105 517 1HD1 ILE 473 1HD1 ILE 473 9.058 2.302 8.731 518 2HD1 ILE 473 2HD1 ILE 473 9.122 4.023 9.111 519 3HD1 ILE 473 3HD1 ILE 473 7.564 3.223 8.896 520 H SER 474 H SER 474 6.376 -0.628 11.835 521 HA SER 474 HA SER 474 3.711 -0.240 12.758 522 1HB SER 474 2HB SER 474 4.330 -1.682 10.808 523 2HB SER 474 1HB SER 474 5.020 -2.845 11.939 524 HG SER 474 HG SER 474 3.055 -3.374 12.631 525 H LYS 475 H LYS 475 6.558 -1.264 14.313 526 HA LYS 475 HA LYS 475 5.172 -2.838 16.325 527 1HB LYS 475 2HB LYS 475 7.608 -3.157 15.304 528 2HB LYS 475 1HB LYS 475 8.035 -2.077 16.622 529 1HG LYS 475 2HG LYS 475 7.003 -3.632 18.213 530 2HG LYS 475 1HG LYS 475 6.622 -4.723 16.879 531 1HD LYS 475 2HD LYS 475 8.737 -5.478 16.730 532 2HD LYS 475 1HD LYS 475 9.431 -3.882 17.015 533 1HE LYS 475 2HE LYS 475 9.611 -4.214 19.236 534 2HE LYS 475 1HE LYS 475 8.087 -5.094 19.332 535 1HZ LYS 475 1HZ LYS 475 10.769 -6.118 18.653 536 2HZ LYS 475 2HZ LYS 475 9.381 -6.951 18.159 537 3HZ LYS 475 3HZ LYS 475 9.671 -6.692 19.806 538 H ASN 476 H ASN 476 6.097 0.413 15.820 539 HA ASN 476 HA ASN 476 5.810 0.986 18.694 540 1HB ASN 476 2HB ASN 476 7.925 1.656 17.215 541 2HB ASN 476 1HB ASN 476 6.905 3.041 16.840 542 1HD2 ASN 476 1HD2 ASN 476 6.046 4.252 18.675 543 2HD2 ASN 476 2HD2 ASN 476 7.008 4.388 20.103 544 H TYR 477 H TYR 477 4.545 1.616 15.520 545 HA TYR 477 HA TYR 477 2.808 3.733 16.545 546 1HB TYR 477 2HB TYR 477 3.555 2.802 13.798 547 2HB TYR 477 1HB TYR 477 2.067 3.711 14.032 548 HD1 TYR 477 1HD TYR 477 5.721 3.859 14.098 549 HD2 TYR 477 2HD TYR 477 2.125 6.054 14.688 550 HE1 TYR 477 1HE TYR 477 7.001 5.958 14.041 551 HE2 TYR 477 2HE TYR 477 3.394 8.158 14.631 552 HH TYR 477 HH TYR 477 5.695 8.893 13.557 553 HA PRO 478 HA PRO 478 -0.772 1.212 16.969 554 1HB PRO 478 2HB PRO 478 -2.745 2.890 16.145 555 2HB PRO 478 1HB PRO 478 -1.899 3.084 17.682 556 1HG PRO 478 2HG PRO 478 -1.431 4.483 15.081 557 2HG PRO 478 1HG PRO 478 -1.501 5.165 16.715 558 1HD PRO 478 2HD PRO 478 0.836 4.673 15.473 559 2HD PRO 478 1HD PRO 478 0.646 4.472 17.227 560 H PHE 479 H PHE 479 0.440 0.239 14.821 561 HA PHE 479 HA PHE 479 -1.304 0.438 12.500 562 1HB PHE 479 2HB PHE 479 1.360 -0.827 13.037 563 2HB PHE 479 1HB PHE 479 0.418 -1.338 11.643 564 HD1 PHE 479 1HD PHE 479 0.246 0.016 9.710 565 HD2 PHE 479 2HD PHE 479 2.113 1.526 13.225 566 HE1 PHE 479 1HE PHE 479 1.106 1.933 8.427 567 HE2 PHE 479 2HE PHE 479 2.974 3.443 11.947 568 HZ PHE 479 HZ PHE 479 2.470 3.648 9.547 569 H VAL 480 H VAL 480 -2.358 -1.372 11.562 570 HA VAL 480 HA VAL 480 -2.463 -3.882 12.964 571 HB VAL 480 HB VAL 480 -4.988 -3.744 13.246 572 1HG1 VAL 480 1HG1 VAL 480 -3.233 -3.614 15.073 573 2HG1 VAL 480 2HG1 VAL 480 -4.817 -2.937 15.455 574 3HG1 VAL 480 3HG1 VAL 480 -3.477 -1.867 15.043 575 1HG2 VAL 480 1HG2 VAL 480 -4.474 -0.775 13.209 576 2HG2 VAL 480 2HG2 VAL 480 -6.017 -1.598 13.440 577 3HG2 VAL 480 3HG2 VAL 480 -5.209 -1.662 11.874 578 H ASN 481 H ASN 481 -3.369 -5.536 11.712 579 HA ASN 481 HA ASN 481 -3.815 -6.608 9.745 580 1HB ASN 481 2HB ASN 481 -5.897 -4.688 10.255 581 2HB ASN 481 1HB ASN 481 -5.673 -4.863 8.519 582 1HD2 ASN 481 1HD2 ASN 481 -6.750 -6.342 11.423 583 2HD2 ASN 481 2HD2 ASN 481 -7.374 -7.790 10.716 584 H ARG 482 H ARG 482 -1.681 -4.549 9.719 585 HA ARG 482 HA ARG 482 -1.514 -4.261 6.810 586 1HB ARG 482 2HB ARG 482 -1.916 -2.097 8.625 587 2HB ARG 482 1HB ARG 482 -0.289 -1.965 7.975 588 1HG ARG 482 2HG ARG 482 -1.500 -0.753 6.454 589 2HG ARG 482 1HG ARG 482 -1.462 -2.340 5.684 590 1HD ARG 482 2HD ARG 482 -3.695 -1.482 5.545 591 2HD ARG 482 1HD ARG 482 -3.681 -2.819 6.694 592 HE ARG 482 HE ARG 482 -3.317 -0.325 8.006 593 1HH1 ARG 482 1HH1 ARG 482 -5.745 -2.359 6.542 594 2HH1 ARG 482 2HH1 ARG 482 -7.039 -1.721 7.501 595 1HH2 ARG 482 1HH2 ARG 482 -5.017 0.518 9.266 596 2HH2 ARG 482 2HH2 ARG 482 -6.626 -0.087 9.045 597 H THR 483 H THR 483 0.288 -5.223 6.160 598 HA THR 483 HA THR 483 2.502 -5.536 8.047 599 HB THR 483 HB THR 483 3.251 -6.969 5.860 600 HG1 THR 483 1HG THR 483 1.342 -8.018 5.133 601 1HG2 THR 483 1HG2 THR 483 3.296 -8.145 7.827 602 2HG2 THR 483 2HG2 THR 483 1.949 -8.911 6.984 603 3HG2 THR 483 3HG2 THR 483 1.635 -7.718 8.246 604 H ALA 484 H ALA 484 4.735 -5.555 6.896 605 HA ALA 484 HA ALA 484 5.333 -2.938 6.116 606 1HB ALA 484 1HB ALA 484 7.561 -3.795 5.520 607 2HB ALA 484 2HB ALA 484 6.958 -5.444 5.680 608 3HB ALA 484 3HB ALA 484 7.018 -4.384 7.091 609 H VAL 485 H VAL 485 4.235 -5.634 4.268 610 HA VAL 485 HA VAL 485 5.200 -4.868 1.726 611 HB VAL 485 HB VAL 485 2.725 -6.470 2.397 612 1HG1 VAL 485 1HG1 VAL 485 3.578 -5.470 -0.074 613 2HG1 VAL 485 2HG1 VAL 485 2.359 -6.710 0.215 614 3HG1 VAL 485 3HG1 VAL 485 4.037 -7.173 -0.071 615 1HG2 VAL 485 1HG2 VAL 485 5.577 -7.091 2.496 616 2HG2 VAL 485 2HG2 VAL 485 4.640 -8.231 1.533 617 3HG2 VAL 485 3HG2 VAL 485 4.206 -7.935 3.215 618 H MET 486 H MET 486 2.232 -4.113 3.496 619 HA MET 486 HA MET 486 0.952 -2.746 1.366 620 1HB MET 486 2HB MET 486 0.563 -2.774 4.347 621 2HB MET 486 1HB MET 486 -0.383 -1.712 3.316 622 1HG MET 486 2HG MET 486 -0.306 -4.518 2.466 623 2HG MET 486 1HG MET 486 -1.100 -4.222 4.010 624 1HE MET 486 1HE MET 486 -4.054 -4.711 1.626 625 2HE MET 486 2HE MET 486 -3.930 -4.488 3.372 626 3HE MET 486 3HE MET 486 -2.781 -5.530 2.532 627 H ILE 487 H ILE 487 2.716 -1.555 4.221 628 HA ILE 487 HA ILE 487 2.543 1.167 3.676 629 HB ILE 487 HB ILE 487 4.853 -0.252 5.007 630 1HG1 ILE 487 2HG1 ILE 487 2.743 1.058 6.619 631 2HG1 ILE 487 1HG1 ILE 487 2.267 -0.424 5.795 632 1HG2 ILE 487 1HG2 ILE 487 4.534 2.165 6.249 633 2HG2 ILE 487 2HG2 ILE 487 4.194 2.559 4.565 634 3HG2 ILE 487 3HG2 ILE 487 5.727 1.808 5.002 635 1HD1 ILE 487 1HD1 ILE 487 4.025 -1.647 6.892 636 2HD1 ILE 487 2HD1 ILE 487 3.052 -0.797 8.093 637 3HD1 ILE 487 3HD1 ILE 487 4.633 -0.168 7.634 638 H LYS 488 H LYS 488 4.780 -1.255 2.454 639 HA LYS 488 HA LYS 488 6.608 0.551 1.257 640 1HB LYS 488 2HB LYS 488 6.350 -2.255 1.540 641 2HB LYS 488 1HB LYS 488 6.510 -1.930 -0.180 642 1HG LYS 488 2HG LYS 488 8.392 -0.500 1.578 643 2HG LYS 488 1HG LYS 488 8.589 -2.251 1.486 644 1HD LYS 488 2HD LYS 488 9.644 -2.008 -0.455 645 2HD LYS 488 1HD LYS 488 8.173 -1.325 -1.151 646 1HE LYS 488 2HE LYS 488 8.857 0.859 -0.773 647 2HE LYS 488 1HE LYS 488 10.008 0.387 0.476 648 1HZ LYS 488 1HZ LYS 488 10.329 0.461 -2.408 649 2HZ LYS 488 2HZ LYS 488 11.023 -0.873 -1.634 650 3HZ LYS 488 3HZ LYS 488 11.473 0.691 -1.182 651 H ASP 489 H ASP 489 3.614 -0.919 0.180 652 HA ASP 489 HA ASP 489 3.888 -0.261 -2.566 653 1HB ASP 489 2HB ASP 489 1.779 -1.326 -0.811 654 2HB ASP 489 1HB ASP 489 1.184 -0.397 -2.184 655 H ARG 490 H ARG 490 2.448 1.388 0.202 656 HA ARG 490 HA ARG 490 1.302 3.507 -1.315 657 1HB ARG 490 2HB ARG 490 1.061 2.635 1.268 658 2HB ARG 490 1HB ARG 490 2.001 4.107 1.475 659 1HG ARG 490 2HG ARG 490 -0.165 4.583 -0.341 660 2HG ARG 490 1HG ARG 490 -0.771 3.863 1.153 661 1HD ARG 490 2HD ARG 490 1.015 5.709 2.088 662 2HD ARG 490 1HD ARG 490 0.367 6.516 0.661 663 HE ARG 490 HE ARG 490 -1.003 5.989 3.126 664 1HH1 ARG 490 1HH1 ARG 490 -1.415 6.524 -0.298 665 2HH1 ARG 490 2HH1 ARG 490 -3.041 7.096 -0.140 666 1HH2 ARG 490 1HH2 ARG 490 -3.144 6.742 3.335 667 2HH2 ARG 490 2HH2 ARG 490 -4.023 7.221 1.923 668 H TRP 491 H TRP 491 4.281 3.217 0.602 669 HA TRP 491 HA TRP 491 5.203 5.831 0.275 670 1HB TRP 491 2HB TRP 491 6.114 3.923 1.767 671 2HB TRP 491 1HB TRP 491 7.065 3.471 0.356 672 HD1 TRP 491 HD TRP 491 9.437 4.383 0.543 673 HE1 TRP 491 1HE TRP 491 10.536 6.521 1.462 674 HE3 TRP 491 3HE TRP 491 5.254 6.779 2.248 675 HZ2 TRP 491 2HZ TRP 491 9.736 8.906 2.740 676 HZ3 TRP 491 3HZ TRP 491 5.508 8.985 3.307 677 HH2 TRP 491 HH TRP 491 7.704 10.026 3.547 678 H ARG 492 H ARG 492 5.175 3.159 -1.934 679 HA ARG 492 HA ARG 492 7.116 4.321 -3.729 680 1HB ARG 492 2HB ARG 492 6.184 1.767 -3.316 681 2HB ARG 492 1HB ARG 492 5.381 2.221 -4.813 682 1HG ARG 492 2HG ARG 492 7.415 2.542 -5.934 683 2HG ARG 492 1HG ARG 492 8.336 2.566 -4.428 684 1HD ARG 492 2HD ARG 492 8.765 0.412 -4.846 685 2HD ARG 492 1HD ARG 492 7.104 0.116 -4.344 686 HE ARG 492 HE ARG 492 6.468 -0.049 -6.604 687 1HH1 ARG 492 1HH1 ARG 492 9.907 0.468 -6.238 688 2HH1 ARG 492 2HH1 ARG 492 10.279 -0.065 -7.840 689 1HH2 ARG 492 1HH2 ARG 492 6.966 -0.745 -8.708 690 2HH2 ARG 492 2HH2 ARG 492 8.611 -0.753 -9.242 691 H THR 493 H THR 493 3.663 4.340 -3.319 692 HA THR 493 HA THR 493 3.100 5.278 -5.976 693 HB THR 493 HB THR 493 1.565 3.975 -4.280 694 HG1 THR 493 1HG THR 493 1.052 4.764 -6.441 695 1HG2 THR 493 1HG2 THR 493 0.245 6.546 -3.778 696 2HG2 THR 493 2HG2 THR 493 1.673 6.222 -2.800 697 3HG2 THR 493 3HG2 THR 493 0.321 5.091 -2.787 698 H MET 494 H MET 494 3.793 6.721 -2.885 699 HA MET 494 HA MET 494 2.915 9.355 -3.703 700 1HB MET 494 2HB MET 494 3.182 8.139 -1.267 701 2HB MET 494 1HB MET 494 4.620 9.151 -1.317 702 1HG MET 494 2HG MET 494 3.454 11.039 -1.066 703 2HG MET 494 1HG MET 494 2.172 10.511 -2.156 704 1HE MET 494 1HE MET 494 3.407 11.290 1.040 705 2HE MET 494 2HE MET 494 3.273 9.757 1.900 706 3HE MET 494 3HE MET 494 2.076 11.024 2.168 707 H LYS 495 H LYS 495 5.881 7.529 -3.568 708 HA LYS 495 HA LYS 495 7.556 9.850 -3.979 709 1HB LYS 495 2HB LYS 495 8.053 7.463 -2.836 710 2HB LYS 495 1HB LYS 495 8.640 7.133 -4.459 711 1HG LYS 495 2HG LYS 495 10.505 8.266 -4.087 712 2HG LYS 495 1HG LYS 495 9.604 9.684 -3.544 713 1HD LYS 495 2HD LYS 495 9.314 8.385 -1.338 714 2HD LYS 495 1HD LYS 495 10.624 7.363 -1.934 715 1HE LYS 495 2HE LYS 495 12.150 8.884 -1.385 716 2HE LYS 495 1HE LYS 495 11.281 10.150 -2.250 717 1HZ LYS 495 1HZ LYS 495 10.891 9.291 0.559 718 2HZ LYS 495 2HZ LYS 495 9.810 10.307 -0.253 719 3HZ LYS 495 3HZ LYS 495 11.406 10.802 0.003 720 H ARG 496 H ARG 496 6.017 7.392 -5.901 721 HA ARG 496 HA ARG 496 7.561 7.997 -8.273 722 1HB ARG 496 2HB ARG 496 6.628 5.712 -7.723 723 2HB ARG 496 1HB ARG 496 5.034 6.357 -8.086 724 1HG ARG 496 2HG ARG 496 5.377 5.750 -10.189 725 2HG ARG 496 1HG ARG 496 6.564 7.052 -10.290 726 1HD ARG 496 2HD ARG 496 7.442 4.467 -9.120 727 2HD ARG 496 1HD ARG 496 7.169 4.525 -10.860 728 HE ARG 496 HE ARG 496 8.806 6.672 -9.873 729 1HH1 ARG 496 1HH1 ARG 496 8.794 3.380 -11.028 730 2HH1 ARG 496 2HH1 ARG 496 10.452 3.416 -11.529 731 1HH2 ARG 496 1HH2 ARG 496 10.987 6.726 -10.533 732 2HH2 ARG 496 2HH2 ARG 496 11.696 5.316 -11.246 733 H LEU 497 H LEU 497 4.516 8.905 -6.845 734 HA LEU 497 HA LEU 497 4.139 10.856 -8.996 735 1HB LEU 497 2HB LEU 497 2.625 8.577 -8.879 736 2HB LEU 497 1HB LEU 497 1.633 9.707 -7.977 737 HG LEU 497 HG LEU 497 2.623 10.832 -10.482 738 1HD1 LEU 497 1HD1 LEU 497 0.701 9.368 -11.626 739 2HD1 LEU 497 2HD1 LEU 497 1.326 8.179 -10.483 740 3HD1 LEU 497 3HD1 LEU 497 2.406 8.919 -11.665 741 1HD2 LEU 497 1HD2 LEU 497 -0.049 10.956 -10.612 742 2HD2 LEU 497 2HD2 LEU 497 0.925 12.085 -9.670 743 3HD2 LEU 497 3HD2 LEU 497 0.148 10.716 -8.875 744 H GLY 498 H GLY 498 5.068 12.216 -7.290 745 1HA GLY 498 2HA GLY 498 3.319 13.921 -6.101 746 2HA GLY 498 1HA GLY 498 3.543 12.668 -4.888 747 H MET 499 H MET 499 5.944 12.121 -4.502 748 HA MET 499 HA MET 499 7.234 14.586 -3.757 749 1HB MET 499 2HB MET 499 7.972 11.687 -3.370 750 2HB MET 499 1HB MET 499 8.986 13.013 -2.819 751 1HG MET 499 2HG MET 499 6.615 13.719 -1.740 752 2HG MET 499 1HG MET 499 6.479 11.961 -1.714 753 1HE MET 499 1HE MET 499 6.389 13.772 0.853 754 2HE MET 499 2HE MET 499 7.551 14.960 0.259 755 3HE MET 499 3HE MET 499 7.913 14.020 1.706 756 H ASN 500 H ASN 500 7.165 12.881 -6.583 757 HA ASN 500 HA ASN 500 9.962 13.447 -7.264 758 1HB ASN 500 2HB ASN 500 8.310 11.277 -7.859 759 2HB ASN 500 1HB ASN 500 8.410 12.175 -9.369 760 1HD2 ASN 500 1HD2 ASN 500 10.249 12.130 -10.529 761 2HD2 ASN 500 2HD2 ASN 500 11.662 11.246 -10.078 Start of MODEL 15 1 2H5* G 1 H5' GUA 1 7.608 -14.899 11.376 2 H4* G 1 H4' GUA 1 9.418 -13.166 11.818 3 H3* G 1 H3' GUA 1 7.131 -12.833 10.464 4 H1* G 1 H1' GUA 1 10.501 -11.921 8.716 5 H8 G 1 8H GUA 1 8.817 -15.129 7.393 6 H1 G 1 1H GUA 1 14.386 -13.552 4.630 7 1H2 G 1 1H2 GUA 1 14.496 -11.022 6.986 8 2H2 G 1 2H2 GUA 1 15.271 -11.811 5.630 9 2H2* G 1 H2' GUA 1 8.182 -11.682 8.248 10 H5T G 1 H5T GUA 1 9.373 -15.306 9.235 11 2H5* T 2 H5' THY 2 10.144 -8.791 10.706 12 H4* T 2 H4' THY 2 11.756 -7.908 9.364 13 H3* T 2 H3' THY 2 9.350 -6.791 8.886 14 2H2* T 2 H2' THY 2 9.534 -6.737 6.186 15 H1* T 2 H1' THY 2 11.580 -7.949 5.930 16 H3 T 2 3H THY 2 11.015 -11.019 2.756 17 1H5M T 2 1H7 THY 2 7.225 -11.876 6.504 18 2H5M T 2 2H7 THY 2 8.086 -13.303 5.881 19 3H5M T 2 3H7 THY 2 6.993 -12.388 4.814 20 H6 T 2 6H THY 2 8.810 -10.217 6.908 21 2H5* T 3 H5' THY 3 13.252 -4.702 6.315 22 H4* T 3 H4' THY 3 14.214 -4.959 4.265 23 H3* T 3 H3' THY 3 12.201 -3.171 4.216 24 2H2* T 3 H2' THY 3 11.093 -3.964 1.879 25 H1* T 3 H1' THY 3 12.455 -5.890 1.471 26 H3 T 3 3H THY 3 9.958 -9.429 0.407 27 1H5M T 3 1H7 THY 3 7.720 -9.119 4.554 28 2H5M T 3 2H7 THY 3 6.854 -7.788 3.753 29 3H5M T 3 3H7 THY 3 8.032 -7.435 5.041 30 H6 T 3 6H THY 3 9.850 -6.361 4.059 31 2H5* A 4 H5' ADE 4 14.799 -2.935 -0.496 32 H4* A 4 H4' ADE 4 14.637 -4.262 -2.410 33 H3* A 4 H3' ADE 4 13.047 -2.075 -2.308 34 H1* A 4 H1' ADE 4 11.689 -5.483 -3.508 35 H8 A 4 8H ADE 4 10.383 -4.557 0.032 36 1H6 A 4 1H6 ADE 4 7.157 -8.170 0.433 37 2H6 A 4 2H6 ADE 4 6.727 -9.516 -0.604 38 H2 A 4 2H ADE 4 9.336 -9.233 -4.241 39 2H2* A 4 H2' ADE 4 10.867 -3.233 -3.420 40 2H5* G 5 H5' GUA 5 13.558 -4.202 -6.915 41 H4* G 5 H4' GUA 5 12.467 -5.730 -8.167 42 H3* G 5 H3' GUA 5 11.396 -3.293 -8.579 43 H1* G 5 H1' GUA 5 9.091 -6.347 -7.936 44 H8 G 5 8H GUA 5 9.429 -4.031 -4.844 45 H1 G 5 1H GUA 5 5.007 -8.659 -4.448 46 1H2 G 5 1H2 GUA 5 6.132 -9.591 -7.585 47 2H2 G 5 2H2 GUA 5 5.031 -9.895 -6.260 48 2H2* G 5 H2' GUA 5 8.799 -4.057 -8.565 49 2H5* G 6 H5' GUA 6 9.574 -6.884 -11.536 50 H4* G 6 H4' GUA 6 7.717 -8.094 -11.858 51 H3* G 6 H3' GUA 6 7.280 -5.636 -12.887 52 H1* G 6 H1' GUA 6 4.626 -7.322 -10.630 53 H8 G 6 8H GUA 6 6.484 -4.417 -8.866 54 H1 G 6 1H GUA 6 1.696 -7.127 -5.566 55 1H2 G 6 1H2 GUA 6 1.477 -9.299 -8.250 56 2H2 G 6 2H2 GUA 6 0.864 -8.822 -6.682 57 2H2* G 6 H2' GUA 6 4.752 -5.339 -11.971 58 2H5* G 7 H5' GUA 7 3.790 -9.136 -14.406 59 H4* G 7 H4' GUA 7 1.798 -9.880 -13.582 60 H3* G 7 H3' GUA 7 1.466 -7.837 -15.299 61 H1* G 7 H1' GUA 7 -0.395 -7.788 -11.876 62 H8 G 7 8H GUA 7 2.724 -5.484 -11.988 63 H1 G 7 1H GUA 7 -1.073 -4.873 -6.856 64 1H2 G 7 1H2 GUA 7 -2.920 -7.425 -8.287 65 2H2 G 7 2H2 GUA 7 -2.731 -6.308 -6.955 66 2H2* G 7 H2' GUA 7 -0.418 -6.505 -13.878 67 2H5* T 8 H5' THY 8 -2.759 -10.013 -13.591 68 H4* T 8 H4' THY 8 -4.200 -9.662 -11.828 69 H3* T 8 H3' THY 8 -5.020 -8.582 -14.172 70 2H2* T 8 H2' THY 8 -6.023 -6.300 -13.098 71 H1* T 8 H1' THY 8 -5.247 -6.574 -10.860 72 H3 T 8 3H THY 8 -3.493 -2.668 -9.640 73 1H5M T 8 1H7 THY 8 0.185 -4.268 -12.761 74 2H5M T 8 2H7 THY 8 -0.947 -3.984 -14.107 75 3H5M T 8 3H7 THY 8 -0.449 -2.631 -13.062 76 H6 T 8 6H THY 8 -2.344 -5.809 -13.042 77 2H5* T 9 H5' THY 9 -8.172 -8.721 -10.412 78 H4* T 9 H4' THY 9 -9.215 -7.556 -8.811 79 H3* T 9 H3' THY 9 -10.513 -7.069 -11.105 80 2H2* T 9 H2' THY 9 -10.778 -4.384 -10.793 81 H1* T 9 H1' THY 9 -9.428 -4.037 -8.876 82 H3 T 9 3H THY 9 -6.372 -0.853 -9.530 83 1H5M T 9 1H7 THY 9 -5.006 -2.575 -13.532 84 2H5M T 9 2H7 THY 9 -4.871 -4.280 -13.039 85 3H5M T 9 3H7 THY 9 -6.297 -3.730 -13.947 86 H6 T 9 6H THY 9 -7.469 -4.837 -11.910 87 2H5* A 10 H5' ADE 10 -12.822 -4.885 -7.079 88 H4* A 10 H4' ADE 10 -12.863 -2.757 -6.397 89 H3* A 10 H3' ADE 10 -14.626 -2.993 -8.475 90 H1* A 10 H1' ADE 10 -12.189 -0.023 -8.112 91 H8 A 10 8H ADE 10 -11.209 -2.372 -11.051 92 1H6 A 10 1H6 ADE 10 -7.759 0.477 -12.953 93 2H6 A 10 2H6 ADE 10 -7.086 2.022 -12.482 94 H2 A 10 2H ADE 10 -9.211 3.275 -8.737 95 2H2* A 10 H2' ADE 10 -14.067 -0.538 -9.508 96 2H5* G 11 H5' GUA 11 -14.908 1.203 -5.560 97 H4* G 11 H4' GUA 11 -13.814 3.189 -5.694 98 H3* G 11 H3' GUA 11 -16.212 3.284 -6.979 99 H1* G 11 H1' GUA 11 -13.019 4.843 -8.446 100 H8 G 11 8H GUA 11 -13.762 1.438 -10.166 101 H1 G 11 1H GUA 11 -9.727 5.364 -13.242 102 1H2 G 11 1H2 GUA 11 -10.293 7.527 -10.600 103 2H2 G 11 2H2 GUA 11 -9.471 7.231 -12.116 104 2H2* G 11 H2' GUA 11 -15.357 4.838 -9.026 105 2H5* G 12 H5' GUA 12 -14.370 7.832 -5.274 106 H4* G 12 H4' GUA 12 -12.841 9.227 -6.236 107 H3* G 12 H3' GUA 12 -15.369 10.006 -6.722 108 H1* G 12 H1' GUA 12 -12.793 9.879 -9.624 109 H8 G 12 8H GUA 12 -15.070 6.735 -9.550 110 H1 G 12 1H GUA 12 -11.809 7.758 -14.979 111 1H2 G 12 1H2 GUA 12 -10.575 10.556 -13.359 112 2H2 G 12 2H2 GUA 12 -10.594 9.577 -14.809 113 2H2* G 12 H2' GUA 12 -15.041 10.643 -9.330 114 2H5* G 13 H5' GUA 13 -12.014 13.734 -8.284 115 H4* G 13 H4' GUA 13 -10.873 14.277 -10.274 116 H3* G 13 H3' GUA 13 -13.211 15.502 -9.798 117 H1* G 13 H1' GUA 13 -12.578 13.918 -13.294 118 H8 G 13 8H GUA 13 -14.764 11.691 -10.984 119 H1 G 13 1H GUA 13 -14.544 10.010 -17.170 120 1H2 G 13 1H2 GUA 13 -12.398 12.703 -17.517 121 2H2 G 13 2H2 GUA 13 -13.230 11.369 -18.287 122 H3T G 13 H3T GUA 13 -11.618 15.721 -12.142 123 2H2* G 13 H2' GUA 13 -14.256 15.281 -12.280 124 2H5* C 14 H5' CYT 14 -13.312 7.605 -25.649 125 H4* C 14 H4' CYT 14 -12.134 9.601 -24.696 126 H3* C 14 H3' CYT 14 -11.366 7.036 -24.452 127 H1* C 14 H1' CYT 14 -11.663 9.262 -21.283 128 1H4 C 14 1H4 CYT 14 -16.898 6.871 -17.991 129 2H4 C 14 2H4 CYT 14 -16.187 8.134 -17.010 130 H5 C 14 5H CYT 14 -16.044 6.270 -20.178 131 H6 C 14 6H CYT 14 -14.345 6.758 -21.860 132 2H2* C 14 H2' CYT 14 -10.866 7.072 -21.793 133 H5T C 14 H5T CYT 14 -14.654 7.843 -23.156 134 2H5* C 15 H5' CYT 15 -7.446 10.189 -22.744 135 H4* C 15 H4' CYT 15 -7.123 11.190 -20.690 136 H3* C 15 H3' CYT 15 -5.913 8.793 -20.966 137 H1* C 15 H1' CYT 15 -7.922 9.616 -17.750 138 1H4 C 15 1H4 CYT 15 -13.259 5.690 -17.981 139 2H4 C 15 2H4 CYT 15 -13.230 6.454 -16.408 140 H5 C 15 5H CYT 15 -11.596 6.128 -19.687 141 H6 C 15 6H CYT 15 -9.574 7.383 -20.226 142 2H2* C 15 H2' CYT 15 -6.484 7.857 -18.488 143 2H5* C 16 H5' CYT 16 -4.192 11.604 -16.939 144 H4* C 16 H4' CYT 16 -5.113 11.792 -14.833 145 H3* C 16 H3' CYT 16 -2.983 10.143 -14.976 146 H1* C 16 H1' CYT 16 -6.195 9.022 -13.073 147 1H4 C 16 1H4 CYT 16 -8.796 4.252 -16.873 148 2H4 C 16 2H4 CYT 16 -9.520 4.124 -15.285 149 H5 C 16 5H CYT 16 -7.136 5.928 -17.428 150 H6 C 16 6H CYT 16 -5.836 7.809 -16.573 151 2H2* C 16 H2' CYT 16 -3.976 8.221 -13.330 152 2H5* T 17 H5' THY 17 -4.527 11.541 -10.284 153 H4* T 17 H4' THY 17 -6.189 10.679 -8.956 154 H3* T 17 H3' THY 17 -3.703 9.861 -8.257 155 2H2* T 17 H2' THY 17 -4.395 7.308 -7.661 156 H1* T 17 H1' THY 17 -6.659 7.362 -8.436 157 H3 T 17 3H THY 17 -7.294 3.658 -10.825 158 1H5M T 17 1H7 THY 17 -4.430 6.200 -14.119 159 2H5M T 17 2H7 THY 17 -3.055 6.040 -13.002 160 3H5M T 17 3H7 THY 17 -3.816 4.586 -13.688 161 H6 T 17 6H THY 17 -4.354 7.381 -11.344 162 2H5* A 18 H5' ADE 18 -5.387 8.140 -3.319 163 H4* A 18 H4' ADE 18 -6.023 5.840 -3.164 164 H3* A 18 H3' ADE 18 -3.212 6.511 -3.629 165 H1* A 18 H1' ADE 18 -5.439 3.414 -4.615 166 H8 A 18 8H ADE 18 -3.026 5.123 -7.128 167 1H6 A 18 1H6 ADE 18 -3.817 2.093 -10.852 168 2H6 A 18 2H6 ADE 18 -4.875 0.718 -11.072 169 H2 A 18 2H ADE 18 -7.141 0.198 -7.236 170 2H2* A 18 H2' ADE 18 -3.375 3.609 -3.614 171 2H5* A 19 H5' ADE 19 -5.757 3.424 -0.938 172 H4* A 19 H4' ADE 19 -6.908 1.576 -1.608 173 H3* A 19 H3' ADE 19 -4.614 0.918 -0.367 174 H1* A 19 H1' ADE 19 -5.599 -0.814 -3.670 175 H8 A 19 8H ADE 19 -2.853 1.875 -4.240 176 1H6 A 19 1H6 ADE 19 -1.771 0.647 -8.814 177 2H6 A 19 2H6 ADE 19 -2.402 -0.561 -9.915 178 H2 A 19 2H ADE 19 -5.669 -2.720 -7.724 179 2H2* A 19 H2' ADE 19 -3.841 -1.047 -2.045 180 2H5* C 20 H5' CYT 20 -7.487 -3.450 -0.643 181 H4* C 20 H4' CYT 20 -7.523 -5.348 -1.953 182 H3* C 20 H3' CYT 20 -5.789 -5.478 0.077 183 H1* C 20 H1' CYT 20 -4.528 -6.425 -3.505 184 1H4 C 20 1H4 CYT 20 -0.698 -1.298 -5.242 185 2H4 C 20 2H4 CYT 20 -0.362 -2.611 -6.346 186 H5 C 20 5H CYT 20 -2.313 -1.470 -3.444 187 H6 C 20 6H CYT 20 -3.925 -2.938 -2.346 188 2H2* C 20 H2' CYT 20 -3.689 -6.514 -1.286 189 2H5* C 21 H5' CYT 21 -6.493 -9.993 -2.345 190 H4* C 21 H4' CYT 21 -5.375 -10.967 -4.044 191 H3* C 21 H3' CYT 21 -4.219 -11.659 -1.712 192 H1* C 21 H1' CYT 21 -2.032 -10.471 -4.682 193 1H4 C 21 1H4 CYT 21 0.343 -4.553 -2.872 194 2H4 C 21 2H4 CYT 21 1.118 -4.997 -4.377 195 H5 C 21 5H CYT 21 -1.329 -5.935 -1.793 196 H6 C 21 6H CYT 21 -2.583 -8.022 -1.938 197 2H2* C 21 H2' CYT 21 -1.649 -11.388 -2.506 198 2H5* C 22 H5' CYT 22 -2.147 -14.187 -5.616 199 H4* C 22 H4' CYT 22 -0.223 -14.351 -6.796 200 H3* C 22 H3' CYT 22 0.069 -15.505 -4.388 201 H1* C 22 H1' CYT 22 2.791 -13.047 -5.676 202 1H4 C 22 1H4 CYT 22 2.166 -7.646 -1.881 203 2H4 C 22 2H4 CYT 22 3.640 -7.478 -2.806 204 H5 C 22 5H CYT 22 0.696 -9.563 -2.085 205 H6 C 22 6H CYT 22 0.344 -11.695 -3.214 206 2H2* C 22 H2' CYT 22 2.525 -14.524 -3.819 207 2H5* T 23 H5' THY 23 3.841 -16.161 -7.613 208 H4* T 23 H4' THY 23 5.888 -15.337 -8.032 209 H3* T 23 H3' THY 23 6.121 -17.255 -6.155 210 2H2* T 23 H2' THY 23 7.874 -15.952 -4.557 211 H1* T 23 H1' THY 23 7.898 -13.839 -5.674 212 H3 T 23 3H THY 23 7.441 -10.594 -2.661 213 1H5M T 23 1H7 THY 23 2.793 -12.692 -2.388 214 2H5M T 23 2H7 THY 23 3.639 -12.386 -0.854 215 3H5M T 23 3H7 THY 23 3.585 -14.033 -1.527 216 H6 T 23 6H THY 23 4.737 -14.352 -3.803 217 2H5* A 24 H5' ADE 24 10.730 -15.914 -8.233 218 H4* A 24 H4' ADE 24 12.196 -14.245 -7.709 219 H3* A 24 H3' ADE 24 12.767 -16.532 -6.410 220 H1* A 24 H1' ADE 24 12.722 -13.167 -4.484 221 H8 A 24 8H ADE 24 9.612 -15.366 -3.743 222 1H6 A 24 1H6 ADE 24 7.802 -12.638 -0.148 223 2H6 A 24 2H6 ADE 24 8.296 -11.122 0.570 224 H2 A 24 2H ADE 24 11.992 -9.802 -1.601 225 2H2* A 24 H2' ADE 24 13.334 -15.427 -4.005 226 2H5* A 25 H5' ADE 25 16.823 -13.138 -6.143 227 H4* A 25 H4' ADE 25 17.088 -11.309 -4.739 228 H3* A 25 H3' ADE 25 18.353 -13.562 -3.962 229 H1* A 25 H1' ADE 25 16.328 -11.466 -1.414 230 H8 A 25 8H ADE 25 14.412 -14.663 -2.528 231 1H6 A 25 1H6 ADE 25 10.934 -14.470 0.862 232 2H6 A 25 2H6 ADE 25 10.583 -13.346 2.155 233 H2 A 25 2H ADE 25 13.725 -10.152 1.986 234 2H2* A 25 H2' ADE 25 17.797 -13.356 -1.323 235 2H5* C 26 H5' CYT 26 19.871 -9.366 -1.325 236 H4* C 26 H4' CYT 26 19.057 -8.327 0.578 237 H3* C 26 H3' CYT 26 21.155 -9.949 0.987 238 H1* C 26 H1' CYT 26 18.045 -10.250 3.311 239 1H4 C 26 1H4 CYT 26 15.189 -15.975 1.576 240 2H4 C 26 2H4 CYT 26 14.471 -15.458 3.085 241 H5 C 26 5H CYT 26 16.906 -14.705 0.432 242 H6 C 26 6H CYT 26 18.278 -12.691 0.508 243 H3T C 26 H3T CYT 26 21.413 -8.500 2.455 244 2H2* C 26 H2' CYT 26 20.247 -11.164 3.227 245 1H GLU 438 H GLU 438 -23.902 6.106 -12.739 246 HA GLU 438 HA GLU 438 -24.102 3.645 -11.152 247 1HB GLU 438 2HB GLU 438 -22.880 4.274 -13.664 248 2HB GLU 438 1HB GLU 438 -21.630 3.756 -12.543 249 1HG GLU 438 2HG GLU 438 -23.047 1.746 -12.050 250 2HG GLU 438 1HG GLU 438 -24.081 2.239 -13.390 251 H ASP 439 H ASP 439 -22.661 3.183 -9.516 252 HA ASP 439 HA ASP 439 -21.263 3.594 -7.771 253 1HB ASP 439 2HB ASP 439 -19.989 5.070 -10.021 254 2HB ASP 439 1HB ASP 439 -19.404 5.406 -8.395 255 H SER 440 H SER 440 -23.668 4.926 -7.699 256 HA SER 440 HA SER 440 -22.983 7.187 -6.024 257 1HB SER 440 2HB SER 440 -24.147 7.500 -8.703 258 2HB SER 440 1HB SER 440 -25.051 8.321 -7.432 259 HG SER 440 HG SER 440 -22.246 8.572 -7.703 260 H THR 441 H THR 441 -23.955 6.530 -4.215 261 HA THR 441 HA THR 441 -26.780 6.469 -4.016 262 HB THR 441 HB THR 441 -26.604 3.967 -3.067 263 HG1 THR 441 1HG THR 441 -24.838 3.950 -5.282 264 1HG2 THR 441 1HG2 THR 441 -27.683 5.134 -5.385 265 2HG2 THR 441 2HG2 THR 441 -28.120 3.602 -4.626 266 3HG2 THR 441 3HG2 THR 441 -26.884 3.642 -5.884 267 H THR 442 H THR 442 -24.020 4.852 -2.431 268 HA THR 442 HA THR 442 -24.850 6.109 0.096 269 HB THR 442 HB THR 442 -22.982 4.200 0.776 270 HG1 THR 442 1HG THR 442 -24.640 2.997 -1.168 271 1HG2 THR 442 1HG2 THR 442 -25.893 4.408 0.897 272 2HG2 THR 442 2HG2 THR 442 -24.727 3.948 2.139 273 3HG2 THR 442 3HG2 THR 442 -25.270 2.759 0.955 274 H ASN 443 H ASN 443 -23.355 7.495 -1.919 275 HA ASN 443 HA ASN 443 -21.607 8.953 -2.050 276 1HB ASN 443 2HB ASN 443 -21.872 8.402 0.785 277 2HB ASN 443 1HB ASN 443 -20.189 8.698 0.355 278 1HD2 ASN 443 1HD2 ASN 443 -19.757 10.664 -0.904 279 2HD2 ASN 443 2HD2 ASN 443 -20.706 12.070 -0.582 280 H ILE 444 H ILE 444 -19.129 9.033 -1.869 281 HA ILE 444 HA ILE 444 -18.085 6.787 -3.209 282 HB ILE 444 HB ILE 444 -15.856 7.881 -2.833 283 1HG1 ILE 444 2HG1 ILE 444 -17.178 10.360 -1.913 284 2HG1 ILE 444 1HG1 ILE 444 -17.038 9.084 -0.706 285 1HG2 ILE 444 1HG2 ILE 444 -16.280 9.675 -4.379 286 2HG2 ILE 444 2HG2 ILE 444 -17.990 9.694 -3.947 287 3HG2 ILE 444 3HG2 ILE 444 -17.310 8.307 -4.798 288 1HD1 ILE 444 1HD1 ILE 444 -14.564 9.457 -2.146 289 2HD1 ILE 444 2HD1 ILE 444 -14.883 9.497 -0.413 290 3HD1 ILE 444 3HD1 ILE 444 -15.115 10.949 -1.387 291 H THR 445 H THR 445 -18.544 5.039 -1.824 292 HA THR 445 HA THR 445 -16.462 4.593 0.170 293 HB THR 445 HB THR 445 -18.546 3.419 1.456 294 HG1 THR 445 1HG THR 445 -20.230 4.981 1.457 295 1HG2 THR 445 1HG2 THR 445 -17.209 6.035 1.769 296 2HG2 THR 445 2HG2 THR 445 -17.310 4.666 2.876 297 3HG2 THR 445 3HG2 THR 445 -18.683 5.754 2.694 298 H LYS 446 H LYS 446 -15.801 3.318 -1.765 299 HA LYS 446 HA LYS 446 -17.066 0.661 -1.696 300 1HB LYS 446 2HB LYS 446 -16.128 2.266 -4.059 301 2HB LYS 446 1HB LYS 446 -16.206 0.512 -4.137 302 1HG LYS 446 2HG LYS 446 -18.650 1.678 -3.096 303 2HG LYS 446 1HG LYS 446 -18.250 2.271 -4.707 304 1HD LYS 446 2HD LYS 446 -18.703 0.296 -5.669 305 2HD LYS 446 1HD LYS 446 -17.894 -0.615 -4.394 306 1HE LYS 446 2HE LYS 446 -20.120 0.328 -3.113 307 2HE LYS 446 1HE LYS 446 -20.728 0.036 -4.742 308 1HZ LYS 446 1HZ LYS 446 -19.804 -2.229 -4.589 309 2HZ LYS 446 2HZ LYS 446 -20.994 -1.933 -3.425 310 3HZ LYS 446 3HZ LYS 446 -19.361 -1.930 -2.984 311 H LYS 447 H LYS 447 -14.099 2.334 -2.759 312 HA LYS 447 HA LYS 447 -12.545 -0.040 -2.048 313 1HB LYS 447 2HB LYS 447 -12.102 0.919 -4.242 314 2HB LYS 447 1HB LYS 447 -11.762 2.485 -3.518 315 1HG LYS 447 2HG LYS 447 -9.811 1.543 -2.389 316 2HG LYS 447 1HG LYS 447 -10.156 -0.031 -3.106 317 1HD LYS 447 2HD LYS 447 -9.790 2.393 -4.830 318 2HD LYS 447 1HD LYS 447 -8.393 1.498 -4.226 319 1HE LYS 447 2HE LYS 447 -10.624 0.049 -5.589 320 2HE LYS 447 1HE LYS 447 -9.421 0.908 -6.549 321 1HZ LYS 447 1HZ LYS 447 -9.129 -1.497 -4.922 322 2HZ LYS 447 2HZ LYS 447 -7.814 -0.435 -4.963 323 3HZ LYS 447 3HZ LYS 447 -8.410 -1.097 -6.401 324 H GLN 448 H GLN 448 -11.540 -0.168 -0.158 325 HA GLN 448 HA GLN 448 -11.438 2.103 1.612 326 1HB GLN 448 2HB GLN 448 -10.446 -0.737 1.913 327 2HB GLN 448 1HB GLN 448 -10.369 0.474 3.187 328 1HG GLN 448 2HG GLN 448 -12.961 0.644 2.644 329 2HG GLN 448 1HG GLN 448 -12.690 -1.014 2.112 330 1HE2 GLN 448 1HE2 GLN 448 -11.926 -2.545 3.631 331 2HE2 GLN 448 2HE2 GLN 448 -12.167 -2.311 5.326 332 H LYS 449 H LYS 449 -10.056 3.432 0.274 333 HA LYS 449 HA LYS 449 -7.354 2.591 -0.200 334 1HB LYS 449 2HB LYS 449 -7.073 4.966 -1.002 335 2HB LYS 449 1HB LYS 449 -8.286 4.011 -1.846 336 1HG LYS 449 2HG LYS 449 -9.480 5.387 0.370 337 2HG LYS 449 1HG LYS 449 -8.603 6.521 -0.660 338 1HD LYS 449 2HD LYS 449 -9.823 5.735 -2.606 339 2HD LYS 449 1HD LYS 449 -10.651 4.523 -1.625 340 1HE LYS 449 2HE LYS 449 -11.521 6.456 -0.234 341 2HE LYS 449 1HE LYS 449 -10.923 7.516 -1.508 342 1HZ LYS 449 1HZ LYS 449 -12.330 5.750 -2.928 343 2HZ LYS 449 2HZ LYS 449 -12.969 7.201 -2.341 344 3HZ LYS 449 3HZ LYS 449 -13.228 5.761 -1.493 345 H TRP 450 H TRP 450 -6.955 2.125 2.102 346 HA TRP 450 HA TRP 450 -6.055 2.576 4.147 347 1HB TRP 450 2HB TRP 450 -4.735 4.284 2.139 348 2HB TRP 450 1HB TRP 450 -4.389 4.670 3.822 349 HD1 TRP 450 HD TRP 450 -4.486 1.413 1.694 350 HE1 TRP 450 1HE TRP 450 -2.434 -0.004 2.330 351 HE3 TRP 450 3HE TRP 450 -2.451 4.476 5.248 352 HZ2 TRP 450 2HZ TRP 450 -0.242 0.154 4.099 353 HZ3 TRP 450 3HZ TRP 450 -0.375 3.767 6.365 354 HH2 TRP 450 HH TRP 450 0.704 1.650 5.800 355 H THR 451 H THR 451 -5.527 4.430 5.778 356 HA THR 451 HA THR 451 -7.886 6.185 5.869 357 HB THR 451 HB THR 451 -6.888 6.206 8.415 358 HG1 THR 451 1HG THR 451 -6.078 4.282 8.921 359 1HG2 THR 451 1HG2 THR 451 -8.549 4.226 8.774 360 2HG2 THR 451 2HG2 THR 451 -8.982 4.560 7.097 361 3HG2 THR 451 3HG2 THR 451 -9.136 5.824 8.316 362 H VAL 452 H VAL 452 -7.465 8.202 7.283 363 HA VAL 452 HA VAL 452 -5.240 9.603 6.073 364 HB VAL 452 HB VAL 452 -6.177 11.622 7.051 365 1HG1 VAL 452 1HG1 VAL 452 -7.821 11.790 5.520 366 2HG1 VAL 452 2HG1 VAL 452 -8.654 10.348 6.099 367 3HG1 VAL 452 3HG1 VAL 452 -7.253 10.191 5.039 368 1HG2 VAL 452 1HG2 VAL 452 -8.595 10.357 8.130 369 2HG2 VAL 452 2HG2 VAL 452 -7.640 11.700 8.755 370 3HG2 VAL 452 3HG2 VAL 452 -7.128 10.042 9.055 371 H GLU 453 H GLU 453 -5.908 8.065 9.066 372 HA GLU 453 HA GLU 453 -4.029 9.608 10.615 373 1HB GLU 453 2HB GLU 453 -5.788 7.251 11.104 374 2HB GLU 453 1HB GLU 453 -4.408 7.484 12.168 375 1HG GLU 453 2HG GLU 453 -5.660 9.985 11.955 376 2HG GLU 453 1HG GLU 453 -6.947 8.801 12.171 377 H GLU 454 H GLU 454 -4.116 6.382 9.148 378 HA GLU 454 HA GLU 454 -1.614 5.502 10.048 379 1HB GLU 454 2HB GLU 454 -3.180 4.776 7.571 380 2HB GLU 454 1HB GLU 454 -1.728 3.931 8.092 381 1HG GLU 454 2HG GLU 454 -3.705 4.164 10.207 382 2HG GLU 454 1HG GLU 454 -4.318 3.318 8.787 383 H SER 455 H SER 455 -2.525 7.499 7.315 384 HA SER 455 HA SER 455 -0.095 7.376 5.901 385 1HB SER 455 2HB SER 455 -2.318 9.406 5.998 386 2HB SER 455 1HB SER 455 -0.886 9.660 5.000 387 HG SER 455 HG SER 455 -2.863 8.507 4.104 388 H GLU 456 H GLU 456 -1.127 9.304 8.637 389 HA GLU 456 HA GLU 456 0.954 11.215 8.553 390 1HB GLU 456 2HB GLU 456 -0.859 10.244 10.746 391 2HB GLU 456 1HB GLU 456 0.380 11.454 11.045 392 1HG GLU 456 2HG GLU 456 -0.986 12.339 8.777 393 2HG GLU 456 1HG GLU 456 -2.229 11.751 9.879 394 H TRP 457 H TRP 457 0.648 8.081 10.158 395 HA TRP 457 HA TRP 457 3.082 8.247 11.602 396 1HB TRP 457 2HB TRP 457 1.749 5.692 10.713 397 2HB TRP 457 1HB TRP 457 2.750 5.954 12.137 398 HD1 TRP 457 HD TRP 457 1.142 8.678 13.028 399 HE1 TRP 457 1HE TRP 457 -1.148 8.380 14.165 400 HE3 TRP 457 3HE TRP 457 0.057 3.944 11.435 401 HZ2 TRP 457 2HZ TRP 457 -3.151 6.398 14.362 402 HZ3 TRP 457 3HZ TRP 457 -2.069 2.921 12.138 403 HH2 TRP 457 HH TRP 457 -3.637 4.124 13.572 404 H VAL 458 H VAL 458 2.266 7.229 8.368 405 HA VAL 458 HA VAL 458 4.731 5.889 7.832 406 HB VAL 458 HB VAL 458 2.790 7.051 5.829 407 1HG1 VAL 458 1HG1 VAL 458 3.730 5.466 4.277 408 2HG1 VAL 458 2HG1 VAL 458 4.768 4.794 5.534 409 3HG1 VAL 458 3HG1 VAL 458 5.030 6.441 4.960 410 1HG2 VAL 458 1HG2 VAL 458 2.389 4.313 5.943 411 2HG2 VAL 458 2HG2 VAL 458 1.329 5.557 6.604 412 3HG2 VAL 458 3HG2 VAL 458 2.538 4.792 7.634 413 H LYS 459 H LYS 459 3.638 9.189 7.634 414 HA LYS 459 HA LYS 459 5.744 10.091 5.916 415 1HB LYS 459 2HB LYS 459 3.495 11.221 6.227 416 2HB LYS 459 1HB LYS 459 4.092 11.794 7.779 417 1HG LYS 459 2HG LYS 459 5.833 13.049 6.712 418 2HG LYS 459 1HG LYS 459 5.422 12.363 5.140 419 1HD LYS 459 2HD LYS 459 3.045 13.467 6.150 420 2HD LYS 459 1HD LYS 459 4.310 14.654 6.481 421 1HE LYS 459 2HE LYS 459 4.858 14.868 4.217 422 2HE LYS 459 1HE LYS 459 4.046 13.364 3.783 423 1HZ LYS 459 1HZ LYS 459 1.989 14.723 4.721 424 2HZ LYS 459 2HZ LYS 459 2.474 14.817 3.103 425 3HZ LYS 459 3HZ LYS 459 2.932 16.027 4.195 426 H ALA 460 H ALA 460 5.119 10.388 9.406 427 HA ALA 460 HA ALA 460 7.683 11.589 9.898 428 1HB ALA 460 1HB ALA 460 7.060 11.587 12.220 429 2HB ALA 460 2HB ALA 460 5.739 10.461 11.907 430 3HB ALA 460 3HB ALA 460 5.673 12.100 11.260 431 H GLY 461 H GLY 461 6.420 8.370 9.805 432 1HA GLY 461 2HA GLY 461 8.313 7.106 11.481 433 2HA GLY 461 1HA GLY 461 7.362 6.320 10.232 434 H VAL 462 H VAL 462 8.208 7.362 7.927 435 HA VAL 462 HA VAL 462 10.819 6.205 7.646 436 HB VAL 462 HB VAL 462 9.225 7.695 5.561 437 1HG1 VAL 462 1HG1 VAL 462 11.825 6.767 5.479 438 2HG1 VAL 462 2HG1 VAL 462 10.810 7.151 4.092 439 3HG1 VAL 462 3HG1 VAL 462 10.901 5.493 4.685 440 1HG2 VAL 462 1HG2 VAL 462 7.727 6.046 5.828 441 2HG2 VAL 462 2HG2 VAL 462 8.848 5.052 6.758 442 3HG2 VAL 462 3HG2 VAL 462 8.918 5.043 4.999 443 H GLN 463 H GLU 463 9.524 9.426 7.899 444 HA GLN 463 HA GLU 463 11.808 10.776 6.847 445 1HB GLN 463 2HB GLU 463 9.497 11.751 6.981 446 2HB GLN 463 1HB GLU 463 9.718 11.894 8.720 447 1HG GLN 463 2HG GLU 463 10.390 13.965 8.186 448 2HG GLN 463 1HG GLU 463 11.926 13.160 7.877 449 H LYS 464 H LYS 464 11.107 9.310 9.868 450 HA LYS 464 HA LYS 464 13.331 10.758 11.138 451 1HB LYS 464 2HB LYS 464 10.950 9.317 12.283 452 2HB LYS 464 1HB LYS 464 12.355 9.706 13.268 453 1HG LYS 464 2HG LYS 464 11.593 12.053 11.871 454 2HG LYS 464 1HG LYS 464 10.147 11.351 12.597 455 1HD LYS 464 2HD LYS 464 11.643 11.129 14.716 456 2HD LYS 464 1HD LYS 464 12.639 12.348 13.917 457 1HE LYS 464 2HE LYS 464 9.846 13.066 13.816 458 2HE LYS 464 1HE LYS 464 10.360 12.772 15.477 459 1HZ LYS 464 1HZ LYS 464 12.207 14.323 15.105 460 2HZ LYS 464 2HZ LYS 464 10.702 15.068 14.906 461 3HZ LYS 464 3HZ LYS 464 11.621 14.649 13.552 462 H TYR 465 H TYR 465 11.965 7.512 10.677 463 HA TYR 465 HA TYR 465 14.386 6.285 11.714 464 1HB TYR 465 2HB TYR 465 11.783 5.148 10.696 465 2HB TYR 465 1HB TYR 465 13.148 4.141 11.160 466 HD1 TYR 465 1HD TYR 465 10.314 6.035 12.319 467 HD2 TYR 465 2HD TYR 465 13.969 4.234 13.542 468 HE1 TYR 465 1HE TYR 465 9.559 6.106 14.660 469 HE2 TYR 465 2HE TYR 465 13.226 4.299 15.884 470 HH TYR 465 HH TYR 465 10.951 4.360 17.094 471 H GLY 466 H GLY 466 12.616 6.478 8.640 472 1HA GLY 466 2HA GLY 466 14.106 6.835 6.669 473 2HA GLY 466 1HA GLY 466 15.065 5.506 7.298 474 H GLU 467 H GLU 467 14.455 5.071 4.847 475 HA GLU 467 HA GLU 467 11.873 3.750 4.595 476 1HB GLU 467 2HB GLU 467 13.276 5.192 2.815 477 2HB GLU 467 1HB GLU 467 13.887 3.592 2.418 478 1HG GLU 467 2HG GLU 467 11.374 2.940 2.350 479 2HG GLU 467 1HG GLU 467 11.120 4.676 2.173 480 H GLY 468 H GLY 468 11.599 1.554 4.135 481 1HA GLY 468 2HA GLY 468 12.296 -0.671 3.835 482 2HA GLY 468 1HA GLY 468 13.941 -0.187 4.227 483 H ASN 469 H ASN 469 12.624 1.281 6.635 484 HA ASN 469 HA ASN 469 12.696 -1.077 8.377 485 1HB ASN 469 2HB ASN 469 13.823 1.538 8.574 486 2HB ASN 469 1HB ASN 469 12.677 1.339 9.893 487 1HD2 ASN 469 1HD2 ASN 469 15.756 0.601 8.709 488 2HD2 ASN 469 2HD2 ASN 469 16.247 -0.479 9.962 489 H TRP 470 H TRP 470 10.448 -1.480 7.557 490 HA TRP 470 HA TRP 470 8.387 0.258 8.629 491 1HB TRP 470 2HB TRP 470 7.870 -2.423 7.379 492 2HB TRP 470 1HB TRP 470 6.849 -0.989 7.378 493 HD1 TRP 470 HD TRP 470 9.242 -2.833 5.250 494 HE1 TRP 470 1HE TRP 470 9.849 -1.450 3.166 495 HE3 TRP 470 3HE TRP 470 7.342 1.688 6.694 496 HZ2 TRP 470 2HZ TRP 470 9.560 1.206 2.254 497 HZ3 TRP 470 3HZ TRP 470 7.548 3.597 5.158 498 HH2 TRP 470 HH TRP 470 8.635 3.363 2.985 499 H ALA 471 H ALA 471 9.829 -2.862 9.288 500 HA ALA 471 HA ALA 471 8.012 -3.988 11.029 501 1HB ALA 471 1HB ALA 471 9.979 -5.188 10.294 502 2HB ALA 471 2HB ALA 471 9.921 -5.161 12.056 503 3HB ALA 471 3HB ALA 471 11.023 -4.087 11.197 504 H ALA 472 H ALA 472 10.710 -1.823 11.904 505 HA ALA 472 HA ALA 472 10.092 -1.682 14.647 506 1HB ALA 472 1HB ALA 472 11.559 0.267 14.715 507 2HB ALA 472 2HB ALA 472 11.539 0.355 12.953 508 3HB ALA 472 3HB ALA 472 12.275 -1.031 13.759 509 H ILE 473 H ILE 473 9.164 0.406 11.934 510 HA ILE 473 HA ILE 473 7.864 2.406 13.378 511 HB ILE 473 HB ILE 473 7.141 1.368 10.633 512 1HG1 ILE 473 2HG1 ILE 473 8.877 3.743 11.301 513 2HG1 ILE 473 1HG1 ILE 473 9.545 2.134 11.051 514 1HG2 ILE 473 1HG2 ILE 473 6.150 3.601 12.270 515 2HG2 ILE 473 2HG2 ILE 473 5.387 2.745 10.928 516 3HG2 ILE 473 3HG2 ILE 473 6.567 4.017 10.606 517 1HD1 ILE 473 1HD1 ILE 473 9.785 3.076 8.976 518 2HD1 ILE 473 2HD1 ILE 473 8.276 3.983 9.095 519 3HD1 ILE 473 3HD1 ILE 473 8.241 2.244 8.804 520 H SER 474 H SER 474 6.517 -0.570 11.961 521 HA SER 474 HA SER 474 3.888 -0.117 12.948 522 1HB SER 474 2HB SER 474 4.381 -1.578 11.000 523 2HB SER 474 1HB SER 474 5.144 -2.736 12.092 524 HG SER 474 HG SER 474 3.122 -3.469 11.978 525 H LYS 475 H LYS 475 6.731 -1.079 14.492 526 HA LYS 475 HA LYS 475 5.365 -2.642 16.538 527 1HB LYS 475 2HB LYS 475 7.881 -2.822 15.444 528 2HB LYS 475 1HB LYS 475 8.196 -2.012 16.973 529 1HG LYS 475 2HG LYS 475 7.308 -3.805 18.220 530 2HG LYS 475 1HG LYS 475 6.583 -4.539 16.789 531 1HD LYS 475 2HD LYS 475 8.613 -5.325 16.003 532 2HD LYS 475 1HD LYS 475 9.542 -4.136 16.916 533 1HE LYS 475 2HE LYS 475 8.553 -5.392 18.985 534 2HE LYS 475 1HE LYS 475 8.318 -6.702 17.830 535 1HZ LYS 475 1HZ LYS 475 10.905 -5.362 18.410 536 2HZ LYS 475 2HZ LYS 475 10.674 -6.636 17.323 537 3HZ LYS 475 3HZ LYS 475 10.439 -6.885 18.979 538 H ASN 476 H ASN 476 6.410 0.577 15.973 539 HA ASN 476 HA ASN 476 6.168 1.202 18.839 540 1HB ASN 476 2HB ASN 476 8.261 1.810 17.277 541 2HB ASN 476 1HB ASN 476 7.262 3.226 16.963 542 1HD2 ASN 476 1HD2 ASN 476 9.090 4.319 17.993 543 2HD2 ASN 476 2HD2 ASN 476 9.110 4.452 19.715 544 H TYR 477 H TYR 477 4.828 1.774 15.694 545 HA TYR 477 HA TYR 477 3.143 3.935 16.741 546 1HB TYR 477 2HB TYR 477 3.966 3.089 13.999 547 2HB TYR 477 1HB TYR 477 2.421 3.909 14.191 548 HD1 TYR 477 1HD TYR 477 2.316 6.246 14.766 549 HD2 TYR 477 2HD TYR 477 6.066 4.252 14.509 550 HE1 TYR 477 1HE TYR 477 3.465 8.419 14.783 551 HE2 TYR 477 2HE TYR 477 7.227 6.422 14.526 552 HH TYR 477 HH TYR 477 5.812 9.256 15.453 553 HA PRO 478 HA PRO 478 -0.445 1.410 17.112 554 1HB PRO 478 2HB PRO 478 -2.405 3.151 16.381 555 2HB PRO 478 1HB PRO 478 -1.560 3.244 17.928 556 1HG PRO 478 2HG PRO 478 -1.083 4.801 15.419 557 2HG PRO 478 1HG PRO 478 -1.131 5.373 17.097 558 1HD PRO 478 2HD PRO 478 1.190 4.932 15.799 559 2HD PRO 478 1HD PRO 478 1.013 4.624 17.539 560 H PHE 479 H PHE 479 0.682 0.449 14.971 561 HA PHE 479 HA PHE 479 -0.998 0.835 12.628 562 1HB PHE 479 2HB PHE 479 1.578 -0.588 13.174 563 2HB PHE 479 1HB PHE 479 0.629 -1.043 11.763 564 HD1 PHE 479 1HD PHE 479 2.403 1.751 13.396 565 HD2 PHE 479 2HD PHE 479 0.594 0.300 9.827 566 HE1 PHE 479 1HE PHE 479 3.373 3.632 12.142 567 HE2 PHE 479 2HE PHE 479 1.564 2.178 8.567 568 HZ PHE 479 HZ PHE 479 2.955 3.847 9.726 569 H VAL 480 H VAL 480 -2.293 -0.774 11.697 570 HA VAL 480 HA VAL 480 -2.501 -3.385 12.883 571 HB VAL 480 HB VAL 480 -4.993 -3.080 13.354 572 1HG1 VAL 480 1HG1 VAL 480 -3.218 -1.555 15.238 573 2HG1 VAL 480 2HG1 VAL 480 -3.100 -3.301 15.040 574 3HG1 VAL 480 3HG1 VAL 480 -4.603 -2.581 15.617 575 1HG2 VAL 480 1HG2 VAL 480 -5.122 -0.848 12.245 576 2HG2 VAL 480 2HG2 VAL 480 -4.201 -0.183 13.592 577 3HG2 VAL 480 3HG2 VAL 480 -5.792 -0.885 13.876 578 H ASN 481 H ASN 481 -3.784 -4.824 11.652 579 HA ASN 481 HA ASN 481 -4.525 -5.703 9.683 580 1HB ASN 481 2HB ASN 481 -6.221 -3.546 10.400 581 2HB ASN 481 1HB ASN 481 -6.015 -3.477 8.653 582 1HD2 ASN 481 1HD2 ASN 481 -7.416 -5.145 11.289 583 2HD2 ASN 481 2HD2 ASN 481 -8.260 -6.344 10.373 584 H ARG 482 H ARG 482 -2.022 -4.174 9.630 585 HA ARG 482 HA ARG 482 -1.834 -3.889 6.742 586 1HB ARG 482 2HB ARG 482 -1.652 -1.638 8.644 587 2HB ARG 482 1HB ARG 482 -0.367 -1.714 7.446 588 1HG ARG 482 2HG ARG 482 -1.753 -1.230 5.721 589 2HG ARG 482 1HG ARG 482 -3.136 -2.036 6.462 590 1HD ARG 482 2HD ARG 482 -2.076 0.432 7.740 591 2HD ARG 482 1HD ARG 482 -3.018 0.593 6.258 592 HE ARG 482 HE ARG 482 -3.990 -0.138 8.863 593 1HH1 ARG 482 1HH1 ARG 482 -4.594 -0.299 5.429 594 2HH1 ARG 482 2HH1 ARG 482 -6.302 -0.511 5.613 595 1HH2 ARG 482 1HH2 ARG 482 -6.237 -0.417 9.106 596 2HH2 ARG 482 2HH2 ARG 482 -7.235 -0.577 7.701 597 H THR 483 H THR 483 -0.112 -4.985 6.101 598 HA THR 483 HA THR 483 2.001 -5.581 8.032 599 HB THR 483 HB THR 483 2.667 -7.024 5.833 600 HG1 THR 483 1HG THR 483 1.068 -7.105 4.508 601 1HG2 THR 483 1HG2 THR 483 2.196 -8.797 7.091 602 2HG2 THR 483 2HG2 THR 483 0.505 -8.331 7.277 603 3HG2 THR 483 3HG2 THR 483 1.733 -7.624 8.326 604 H ALA 484 H ALA 484 4.257 -5.800 6.953 605 HA ALA 484 HA ALA 484 5.146 -3.238 6.266 606 1HB ALA 484 1HB ALA 484 7.295 -4.290 5.746 607 2HB ALA 484 2HB ALA 484 6.531 -5.878 5.792 608 3HB ALA 484 3HB ALA 484 6.626 -4.900 7.259 609 H VAL 485 H VAL 485 3.880 -5.793 4.314 610 HA VAL 485 HA VAL 485 4.978 -4.963 1.824 611 HB VAL 485 HB VAL 485 2.473 -6.575 2.333 612 1HG1 VAL 485 1HG1 VAL 485 3.368 -5.492 -0.042 613 2HG1 VAL 485 2HG1 VAL 485 2.265 -6.858 0.124 614 3HG1 VAL 485 3HG1 VAL 485 3.995 -7.140 -0.084 615 1HG2 VAL 485 1HG2 VAL 485 5.317 -7.225 2.557 616 2HG2 VAL 485 2HG2 VAL 485 4.401 -8.341 1.541 617 3HG2 VAL 485 3HG2 VAL 485 3.905 -8.060 3.210 618 H MET 486 H MET 486 2.057 -4.170 3.615 619 HA MET 486 HA MET 486 0.810 -2.740 1.476 620 1HB MET 486 2HB MET 486 0.307 -2.931 4.434 621 2HB MET 486 1HB MET 486 -0.586 -1.797 3.433 622 1HG MET 486 2HG MET 486 -0.852 -4.106 2.017 623 2HG MET 486 1HG MET 486 -0.837 -4.697 3.677 624 1HE MET 486 1HE MET 486 -4.205 -5.124 2.626 625 2HE MET 486 2HE MET 486 -2.797 -5.042 1.568 626 3HE MET 486 3HE MET 486 -4.119 -3.891 1.371 627 H ILE 487 H ILE 487 2.452 -1.705 4.465 628 HA ILE 487 HA ILE 487 2.319 1.037 4.081 629 HB ILE 487 HB ILE 487 4.647 -0.433 5.322 630 1HG1 ILE 487 2HG1 ILE 487 2.574 0.642 7.098 631 2HG1 ILE 487 1HG1 ILE 487 2.012 -0.678 6.078 632 1HG2 ILE 487 1HG2 ILE 487 5.373 1.723 5.298 633 2HG2 ILE 487 2HG2 ILE 487 4.423 1.770 6.782 634 3HG2 ILE 487 3HG2 ILE 487 3.741 2.389 5.280 635 1HD1 ILE 487 1HD1 ILE 487 4.497 -0.855 7.751 636 2HD1 ILE 487 2HD1 ILE 487 3.618 -2.163 6.964 637 3HD1 ILE 487 3HD1 ILE 487 2.900 -1.321 8.337 638 H LYS 488 H LYS 488 4.444 -1.324 2.625 639 HA LYS 488 HA LYS 488 6.382 0.483 1.624 640 1HB LYS 488 2HB LYS 488 6.068 -2.272 1.698 641 2HB LYS 488 1HB LYS 488 5.987 -1.891 -0.017 642 1HG LYS 488 2HG LYS 488 8.148 -0.460 1.227 643 2HG LYS 488 1HG LYS 488 8.272 -2.188 1.556 644 1HD LYS 488 2HD LYS 488 8.777 -2.677 -0.576 645 2HD LYS 488 1HD LYS 488 7.574 -1.555 -1.215 646 1HE LYS 488 2HE LYS 488 9.424 0.156 -0.188 647 2HE LYS 488 1HE LYS 488 10.444 -1.177 -0.721 648 1HZ LYS 488 1HZ LYS 488 9.653 0.798 -2.315 649 2HZ LYS 488 2HZ LYS 488 8.408 -0.310 -2.602 650 3HZ LYS 488 3HZ LYS 488 10.016 -0.757 -2.876 651 H ASP 489 H ASP 489 3.519 -1.015 0.141 652 HA ASP 489 HA ASP 489 3.795 0.113 -2.403 653 1HB ASP 489 2HB ASP 489 1.673 -1.223 -0.878 654 2HB ASP 489 1HB ASP 489 1.074 -0.095 -2.089 655 H ARG 490 H ARG 490 2.532 1.433 0.571 656 HA ARG 490 HA ARG 490 1.163 3.643 -0.555 657 1HB ARG 490 2HB ARG 490 1.530 2.575 2.003 658 2HB ARG 490 1HB ARG 490 2.235 4.183 2.085 659 1HG ARG 490 2HG ARG 490 -0.268 4.323 0.715 660 2HG ARG 490 1HG ARG 490 -0.479 3.463 2.240 661 1HD ARG 490 2HD ARG 490 0.829 5.376 3.304 662 2HD ARG 490 1HD ARG 490 0.579 6.240 1.787 663 HE ARG 490 HE ARG 490 -1.353 5.775 3.849 664 1HH1 ARG 490 1HH1 ARG 490 -0.937 6.317 0.425 665 2HH1 ARG 490 2HH1 ARG 490 -2.528 6.962 0.206 666 1HH2 ARG 490 1HH2 ARG 490 -3.450 6.624 3.562 667 2HH2 ARG 490 2HH2 ARG 490 -3.954 7.137 1.985 668 H TRP 491 H TRP 491 4.449 3.229 0.699 669 HA TRP 491 HA TRP 491 5.265 5.906 0.471 670 1HB TRP 491 2HB TRP 491 6.414 3.779 1.557 671 2HB TRP 491 1HB TRP 491 7.226 3.705 -0.005 672 HD1 TRP 491 HD TRP 491 9.573 4.661 0.346 673 HE1 TRP 491 1HE TRP 491 10.561 6.754 1.469 674 HE3 TRP 491 3HE TRP 491 5.293 6.596 2.367 675 HZ2 TRP 491 2HZ TRP 491 9.647 8.938 3.008 676 HZ3 TRP 491 3HZ TRP 491 5.438 8.690 3.651 677 HH2 TRP 491 HH TRP 491 7.571 9.837 3.964 678 H ARG 492 H ARG 492 5.288 3.242 -1.840 679 HA ARG 492 HA ARG 492 6.794 4.521 -3.848 680 1HB ARG 492 2HB ARG 492 5.438 2.048 -3.517 681 2HB ARG 492 1HB ARG 492 4.872 2.758 -5.023 682 1HG ARG 492 2HG ARG 492 7.671 3.085 -4.972 683 2HG ARG 492 1HG ARG 492 7.334 1.426 -4.471 684 1HD ARG 492 2HD ARG 492 5.904 2.542 -6.834 685 2HD ARG 492 1HD ARG 492 7.587 2.055 -7.013 686 HE ARG 492 HE ARG 492 6.885 -0.176 -6.245 687 1HH1 ARG 492 1HH1 ARG 492 4.439 1.978 -7.522 688 2HH1 ARG 492 2HH1 ARG 492 3.373 0.690 -7.969 689 1HH2 ARG 492 1HH2 ARG 492 5.477 -1.856 -6.839 690 2HH2 ARG 492 2HH2 ARG 492 3.960 -1.479 -7.582 691 H THR 493 H THR 493 3.335 4.455 -3.155 692 HA THR 493 HA THR 493 2.581 5.883 -5.510 693 HB THR 493 HB THR 493 1.067 5.486 -2.923 694 HG1 THR 493 1HG THR 493 1.193 3.982 -5.313 695 1HG2 THR 493 1HG2 THR 493 0.068 6.255 -5.654 696 2HG2 THR 493 2HG2 THR 493 0.054 7.258 -4.204 697 3HG2 THR 493 3HG2 THR 493 -0.945 5.809 -4.282 698 H MET 494 H MET 494 3.540 6.778 -2.276 699 HA MET 494 HA MET 494 2.665 9.508 -2.522 700 1HB MET 494 2HB MET 494 4.099 7.894 -0.471 701 2HB MET 494 1HB MET 494 4.298 9.640 -0.423 702 1HG MET 494 2HG MET 494 1.620 9.468 -0.657 703 2HG MET 494 1HG MET 494 1.961 7.980 0.223 704 1HE MET 494 1HE MET 494 1.800 9.126 3.663 705 2HE MET 494 2HE MET 494 2.923 8.013 2.884 706 3HE MET 494 3HE MET 494 1.235 8.064 2.371 707 H LYS 495 H LYS 495 5.591 7.706 -3.112 708 HA LYS 495 HA LYS 495 7.272 10.031 -3.313 709 1HB LYS 495 2HB LYS 495 7.869 7.505 -2.783 710 2HB LYS 495 1HB LYS 495 8.039 7.417 -4.531 711 1HG LYS 495 2HG LYS 495 10.012 8.428 -4.474 712 2HG LYS 495 1HG LYS 495 9.390 9.736 -3.467 713 1HD LYS 495 2HD LYS 495 9.613 7.364 -1.886 714 2HD LYS 495 1HD LYS 495 11.138 7.637 -2.731 715 1HE LYS 495 2HE LYS 495 10.494 10.150 -1.863 716 2HE LYS 495 1HE LYS 495 9.893 9.140 -0.549 717 1HZ LYS 495 1HZ LYS 495 12.613 8.770 -1.634 718 2HZ LYS 495 2HZ LYS 495 12.001 8.296 -0.130 719 3HZ LYS 495 3HZ LYS 495 12.299 9.931 -0.442 720 H ARG 496 H ARG 496 5.319 8.126 -5.477 721 HA ARG 496 HA ARG 496 6.520 9.147 -7.881 722 1HB ARG 496 2HB ARG 496 4.028 7.551 -7.315 723 2HB ARG 496 1HB ARG 496 4.400 8.145 -8.929 724 1HG ARG 496 2HG ARG 496 6.745 6.932 -8.165 725 2HG ARG 496 1HG ARG 496 5.506 5.889 -7.467 726 1HD ARG 496 2HD ARG 496 5.097 5.006 -9.463 727 2HD ARG 496 1HD ARG 496 4.712 6.599 -10.110 728 HE ARG 496 HE ARG 496 7.502 6.304 -10.000 729 1HH1 ARG 496 1HH1 ARG 496 4.748 5.068 -11.747 730 2HH1 ARG 496 2HH1 ARG 496 5.652 4.732 -13.187 731 1HH2 ARG 496 1HH2 ARG 496 8.694 5.864 -11.891 732 2HH2 ARG 496 2HH2 ARG 496 7.893 5.184 -13.268 733 H LEU 497 H LEU 497 3.816 9.998 -5.831 734 HA LEU 497 HA LEU 497 3.462 12.446 -7.412 735 1HB LEU 497 2HB LEU 497 1.582 10.341 -7.187 736 2HB LEU 497 1HB LEU 497 0.963 11.677 -6.236 737 HG LEU 497 HG LEU 497 1.926 12.574 -8.825 738 1HD1 LEU 497 1HD1 LEU 497 0.140 10.213 -8.714 739 2HD1 LEU 497 2HD1 LEU 497 1.299 10.705 -9.949 740 3HD1 LEU 497 3HD1 LEU 497 -0.275 11.495 -9.853 741 1HD2 LEU 497 1HD2 LEU 497 0.554 14.065 -7.733 742 2HD2 LEU 497 2HD2 LEU 497 -0.533 12.805 -7.149 743 3HD2 LEU 497 3HD2 LEU 497 -0.583 13.296 -8.841 744 H GLY 498 H GLY 498 4.733 13.495 -5.814 745 1HA GLY 498 2HA GLY 498 3.664 15.066 -3.990 746 2HA GLY 498 1HA GLY 498 3.665 13.556 -3.092 747 H MET 499 H MET 499 5.848 12.410 -3.077 748 HA MET 499 HA MET 499 7.838 14.371 -2.259 749 1HB MET 499 2HB MET 499 7.583 11.394 -1.886 750 2HB MET 499 1HB MET 499 9.056 12.257 -1.475 751 1HG MET 499 2HG MET 499 7.252 13.767 -0.173 752 2HG MET 499 1HG MET 499 6.453 12.196 -0.111 753 1HE MET 499 1HE MET 499 10.084 13.618 2.186 754 2HE MET 499 2HE MET 499 8.484 14.361 2.156 755 3HE MET 499 3HE MET 499 9.467 14.325 0.692 756 H ASN 500 H ASN 500 7.143 13.596 -5.140 757 HA ASN 500 HA ASN 500 9.543 12.353 -6.129 758 1HB ASN 500 2HB ASN 500 8.582 12.770 -8.351 759 2HB ASN 500 1HB ASN 500 7.405 12.016 -7.281 760 1HD2 ASN 500 1HD2 ASN 500 5.520 12.751 -8.003 761 2HD2 ASN 500 2HD2 ASN 500 5.101 14.419 -8.178 Start of MODEL 16 1 2H5* G 1 H5' GUA 1 6.625 -14.889 11.218 2 H4* G 1 H4' GUA 1 8.490 -13.249 11.751 3 H3* G 1 H3' GUA 1 6.313 -12.812 10.251 4 H1* G 1 H1' GUA 1 9.829 -12.090 8.719 5 H8 G 1 8H GUA 1 8.072 -15.218 7.300 6 H1 G 1 1H GUA 1 13.886 -13.951 4.909 7 1H2 G 1 1H2 GUA 1 13.974 -11.414 7.261 8 2H2 G 1 2H2 GUA 1 14.794 -12.252 5.961 9 2H2* G 1 H2' GUA 1 7.559 -11.742 8.099 10 H5T G 1 H5T GUA 1 8.473 -15.394 9.173 11 2H5* T 2 H5' THY 2 9.484 -8.958 10.696 12 H4* T 2 H4' THY 2 11.179 -8.050 9.497 13 H3* T 2 H3' THY 2 8.839 -6.879 8.864 14 2H2* T 2 H2' THY 2 9.215 -6.780 6.186 15 H1* T 2 H1' THY 2 11.256 -8.017 6.049 16 H3 T 2 3H THY 2 10.868 -11.011 2.779 17 1H5M T 2 1H7 THY 2 7.646 -13.036 6.177 18 2H5M T 2 2H7 THY 2 7.055 -12.859 4.507 19 3H5M T 2 3H7 THY 2 6.547 -11.701 5.759 20 H6 T 2 6H THY 2 8.402 -10.271 6.795 21 2H5* T 3 H5' THY 3 12.950 -4.804 6.610 22 H4* T 3 H4' THY 3 14.045 -5.056 4.628 23 H3* T 3 H3' THY 3 12.060 -3.241 4.462 24 2H2* T 3 H2' THY 3 11.121 -3.992 2.037 25 H1* T 3 H1' THY 3 12.474 -5.937 1.711 26 H3 T 3 3H THY 3 10.008 -9.429 0.443 27 1H5M T 3 1H7 THY 3 7.475 -9.101 4.416 28 2H5M T 3 2H7 THY 3 6.689 -7.754 3.558 29 3H5M T 3 3H7 THY 3 7.773 -7.425 4.930 30 H6 T 3 6H THY 3 9.677 -6.377 4.093 31 2H5* A 4 H5' ADE 4 14.981 -2.985 -0.033 32 H4* A 4 H4' ADE 4 14.921 -4.206 -2.013 33 H3* A 4 H3' ADE 4 13.346 -2.013 -1.930 34 H1* A 4 H1' ADE 4 12.001 -5.360 -3.327 35 H8 A 4 8H ADE 4 10.521 -4.503 0.158 36 1H6 A 4 1H6 ADE 4 7.287 -8.129 0.335 37 2H6 A 4 2H6 ADE 4 6.921 -9.461 -0.738 38 H2 A 4 2H ADE 4 9.722 -9.128 -4.222 39 2H2* A 4 H2' ADE 4 11.214 -3.101 -3.193 40 2H5* G 5 H5' GUA 5 14.010 -3.900 -6.661 41 H4* G 5 H4' GUA 5 12.963 -5.345 -8.059 42 H3* G 5 H3' GUA 5 11.924 -2.875 -8.305 43 H1* G 5 H1' GUA 5 9.565 -5.939 -7.968 44 H8 G 5 8H GUA 5 9.817 -3.842 -4.718 45 H1 G 5 1H GUA 5 5.445 -8.535 -4.729 46 1H2 G 5 1H2 GUA 5 6.663 -9.255 -7.886 47 2H2 G 5 2H2 GUA 5 5.530 -9.654 -6.614 48 2H2* G 5 H2' GUA 5 9.321 -3.604 -8.417 49 2H5* G 6 H5' GUA 6 10.081 -6.208 -11.622 50 H4* G 6 H4' GUA 6 8.199 -7.420 -11.894 51 H3* G 6 H3' GUA 6 7.810 -4.906 -12.834 52 H1* G 6 H1' GUA 6 5.164 -6.681 -10.662 53 H8 G 6 8H GUA 6 6.904 -3.778 -8.784 54 H1 G 6 1H GUA 6 2.207 -6.776 -5.608 55 1H2 G 6 1H2 GUA 6 2.094 -8.876 -8.354 56 2H2 G 6 2H2 GUA 6 1.452 -8.470 -6.779 57 2H2* G 6 H2' GUA 6 5.279 -4.632 -11.912 58 2H5* G 7 H5' GUA 7 4.347 -8.355 -14.652 59 H4* G 7 H4' GUA 7 2.390 -9.167 -13.788 60 H3* G 7 H3' GUA 7 2.007 -7.079 -15.447 61 H1* G 7 H1' GUA 7 0.193 -7.179 -12.010 62 H8 G 7 8H GUA 7 3.267 -4.811 -12.043 63 H1 G 7 1H GUA 7 -0.581 -4.403 -6.927 64 1H2 G 7 1H2 GUA 7 -2.374 -6.942 -8.447 65 2H2 G 7 2H2 GUA 7 -2.217 -5.860 -7.081 66 2H2* G 7 H2' GUA 7 0.124 -5.817 -13.964 67 2H5* T 8 H5' THY 8 -2.106 -9.391 -13.785 68 H4* T 8 H4' THY 8 -3.668 -9.173 -12.131 69 H3* T 8 H3' THY 8 -4.421 -7.981 -14.438 70 2H2* T 8 H2' THY 8 -5.520 -5.779 -13.298 71 H1* T 8 H1' THY 8 -4.851 -6.157 -11.038 72 H3 T 8 3H THY 8 -3.239 -2.294 -9.523 73 1H5M T 8 1H7 THY 8 0.618 -3.718 -12.540 74 2H5M T 8 2H7 THY 8 -0.439 -3.288 -13.906 75 3H5M T 8 3H7 THY 8 0.028 -2.048 -12.716 76 H6 T 8 6H THY 8 -1.859 -5.227 -13.023 77 2H5* T 9 H5' THY 9 -8.020 -8.683 -10.974 78 H4* T 9 H4' THY 9 -9.024 -7.536 -9.322 79 H3* T 9 H3' THY 9 -10.308 -7.019 -11.631 80 2H2* T 9 H2' THY 9 -10.616 -4.354 -11.257 81 H1* T 9 H1' THY 9 -9.329 -4.106 -9.258 82 H3 T 9 3H THY 9 -6.568 -0.639 -9.718 83 1H5M T 9 1H7 THY 9 -4.419 -3.730 -13.081 84 2H5M T 9 2H7 THY 9 -5.884 -3.610 -14.087 85 3H5M T 9 3H7 THY 9 -4.924 -2.153 -13.734 86 H6 T 9 6H THY 9 -7.170 -4.653 -12.225 87 2H5* A 10 H5' ADE 10 -12.517 -5.206 -7.445 88 H4* A 10 H4' ADE 10 -12.546 -3.198 -6.425 89 H3* A 10 H3' ADE 10 -14.521 -3.282 -8.269 90 H1* A 10 H1' ADE 10 -12.213 -0.201 -7.971 91 H8 A 10 8H ADE 10 -11.455 -2.298 -11.149 92 1H6 A 10 1H6 ADE 10 -8.267 0.785 -13.142 93 2H6 A 10 2H6 ADE 10 -7.577 2.301 -12.616 94 H2 A 10 2H ADE 10 -9.334 3.193 -8.586 95 2H2* A 10 H2' ADE 10 -14.191 -0.769 -9.210 96 2H5* G 11 H5' GUA 11 -15.485 0.840 -4.917 97 H4* G 11 H4' GUA 11 -14.311 2.880 -4.859 98 H3* G 11 H3' GUA 11 -16.715 2.836 -6.093 99 H1* G 11 H1' GUA 11 -13.684 4.601 -7.715 100 H8 G 11 8H GUA 11 -14.465 1.188 -9.387 101 H1 G 11 1H GUA 11 -10.182 4.902 -12.387 102 1H2 G 11 1H2 GUA 11 -10.662 7.079 -9.742 103 2H2 G 11 2H2 GUA 11 -9.839 6.746 -11.251 104 2H2* G 11 H2' GUA 11 -16.028 4.413 -8.183 105 2H5* G 12 H5' GUA 12 -15.285 7.713 -4.744 106 H4* G 12 H4' GUA 12 -13.810 9.164 -5.789 107 H3* G 12 H3' GUA 12 -16.409 9.648 -6.264 108 H1* G 12 H1' GUA 12 -13.895 9.596 -9.220 109 H8 G 12 8H GUA 12 -15.869 6.270 -8.904 110 H1 G 12 1H GUA 12 -12.699 7.180 -14.403 111 1H2 G 12 1H2 GUA 12 -11.709 10.180 -12.990 112 2H2 G 12 2H2 GUA 12 -11.642 9.102 -14.367 113 2H2* G 12 H2' GUA 12 -16.203 10.139 -8.916 114 2H5* G 13 H5' GUA 13 -13.493 13.703 -7.939 115 H4* G 13 H4' GUA 13 -12.310 14.098 -9.937 116 H3* G 13 H3' GUA 13 -14.715 15.261 -9.659 117 H1* G 13 H1' GUA 13 -13.868 13.391 -12.960 118 H8 G 13 8H GUA 13 -16.022 11.255 -10.534 119 H1 G 13 1H GUA 13 -15.600 9.139 -16.573 120 1H2 G 13 1H2 GUA 13 -13.576 11.898 -17.084 121 2H2 G 13 2H2 GUA 13 -14.330 10.474 -17.766 122 H3T G 13 H3T GUA 13 -13.201 16.441 -10.610 123 2H2* G 13 H2' GUA 13 -15.644 14.767 -12.150 124 2H5* C 14 H5' CYT 14 -14.606 6.132 -24.893 125 H4* C 14 H4' CYT 14 -13.670 8.469 -24.337 126 H3* C 14 H3' CYT 14 -12.575 6.057 -23.889 127 H1* C 14 H1' CYT 14 -13.028 8.530 -20.924 128 1H4 C 14 1H4 CYT 14 -17.847 5.888 -17.217 129 2H4 C 14 2H4 CYT 14 -17.155 7.220 -16.319 130 H5 C 14 5H CYT 14 -17.095 5.265 -19.434 131 H6 C 14 6H CYT 14 -15.531 5.793 -21.231 132 2H2* C 14 H2' CYT 14 -11.981 6.413 -21.275 133 H5T C 14 H5T CYT 14 -16.646 5.922 -23.655 134 2H5* C 15 H5' CYT 15 -9.282 9.855 -22.516 135 H4* C 15 H4' CYT 15 -8.873 10.963 -20.553 136 H3* C 15 H3' CYT 15 -7.358 8.760 -20.830 137 H1* C 15 H1' CYT 15 -9.211 9.407 -17.469 138 1H4 C 15 1H4 CYT 15 -13.986 4.812 -17.261 139 2H4 C 15 2H4 CYT 15 -13.926 5.589 -15.695 140 H5 C 15 5H CYT 15 -12.538 5.443 -19.097 141 H6 C 15 6H CYT 15 -10.746 6.941 -19.800 142 2H2* C 15 H2' CYT 15 -7.595 7.856 -18.289 143 2H5* C 16 H5' CYT 16 -6.370 11.749 -17.022 144 H4* C 16 H4' CYT 16 -6.679 11.859 -14.804 145 H3* C 16 H3' CYT 16 -4.406 10.501 -15.226 146 H1* C 16 H1' CYT 16 -7.073 9.009 -12.803 147 1H4 C 16 1H4 CYT 16 -9.642 3.875 -16.119 148 2H4 C 16 2H4 CYT 16 -10.138 3.733 -14.448 149 H5 C 16 5H CYT 16 -8.261 5.692 -16.931 150 H6 C 16 6H CYT 16 -7.081 7.735 -16.303 151 2H2* C 16 H2' CYT 16 -4.842 8.504 -13.449 152 2H5* T 17 H5' THY 17 -5.228 11.961 -10.316 153 H4* T 17 H4' THY 17 -6.359 10.886 -8.681 154 H3* T 17 H3' THY 17 -3.727 10.229 -8.605 155 2H2* T 17 H2' THY 17 -4.109 7.614 -7.995 156 H1* T 17 H1' THY 17 -6.496 7.559 -8.226 157 H3 T 17 3H THY 17 -7.639 3.977 -10.618 158 1H5M T 17 1H7 THY 17 -5.362 6.067 -14.353 159 2H5M T 17 2H7 THY 17 -3.959 6.713 -13.470 160 3H5M T 17 3H7 THY 17 -4.159 4.954 -13.661 161 H6 T 17 6H THY 17 -4.725 7.654 -11.483 162 2H5* A 18 H5' ADE 18 -6.191 8.629 -4.485 163 H4* A 18 H4' ADE 18 -6.785 6.763 -3.403 164 H3* A 18 H3' ADE 18 -4.113 6.931 -3.261 165 H1* A 18 H1' ADE 18 -5.719 3.557 -4.465 166 H8 A 18 8H ADE 18 -3.979 5.656 -7.206 167 1H6 A 18 1H6 ADE 18 -4.632 2.537 -10.876 168 2H6 A 18 2H6 ADE 18 -5.475 1.010 -11.016 169 H2 A 18 2H ADE 18 -7.270 0.150 -6.997 170 2H2* A 18 H2' ADE 18 -3.581 4.325 -3.834 171 2H5* A 19 H5' ADE 19 -6.506 3.243 -1.074 172 H4* A 19 H4' ADE 19 -7.226 1.118 -1.481 173 H3* A 19 H3' ADE 19 -4.899 1.131 -0.158 174 H1* A 19 H1' ADE 19 -5.237 -1.130 -3.329 175 H8 A 19 8H ADE 19 -3.161 2.101 -3.875 176 1H6 A 19 1H6 ADE 19 -1.691 1.106 -8.400 177 2H6 A 19 2H6 ADE 19 -2.026 -0.206 -9.507 178 H2 A 19 2H ADE 19 -4.833 -2.997 -7.401 179 2H2* A 19 H2' ADE 19 -3.652 -0.801 -1.594 180 2H5* C 20 H5' CYT 20 -7.116 -3.457 -0.507 181 H4* C 20 H4' CYT 20 -7.006 -5.208 -1.945 182 H3* C 20 H3' CYT 20 -5.229 -5.508 0.053 183 H1* C 20 H1' CYT 20 -4.111 -6.086 -3.623 184 1H4 C 20 1H4 CYT 20 -0.123 -0.982 -5.037 185 2H4 C 20 2H4 CYT 20 0.028 -2.150 -6.331 186 H5 C 20 5H CYT 20 -1.596 -1.303 -3.140 187 H6 C 20 6H CYT 20 -3.214 -2.805 -2.104 188 2H2* C 20 H2' CYT 20 -3.157 -6.380 -1.453 189 2H5* C 21 H5' CYT 21 -6.031 -9.908 -2.659 190 H4* C 21 H4' CYT 21 -5.025 -10.625 -4.575 191 H3* C 21 H3' CYT 21 -3.811 -11.607 -2.382 192 H1* C 21 H1' CYT 21 -1.688 -10.079 -5.249 193 1H4 C 21 1H4 CYT 21 0.766 -4.433 -2.790 194 2H4 C 21 2H4 CYT 21 1.543 -4.724 -4.330 195 H5 C 21 5H CYT 21 -0.925 -5.905 -1.870 196 H6 C 21 6H CYT 21 -2.205 -7.947 -2.241 197 2H2* C 21 H2' CYT 21 -1.261 -11.267 -3.217 198 2H5* C 22 H5' CYT 22 -1.772 -13.776 -6.534 199 H4* C 22 H4' CYT 22 0.196 -13.950 -7.634 200 H3* C 22 H3' CYT 22 0.342 -15.274 -5.304 201 H1* C 22 H1' CYT 22 3.205 -12.832 -6.292 202 1H4 C 22 1H4 CYT 22 2.583 -7.708 -2.136 203 2H4 C 22 2H4 CYT 22 4.033 -7.450 -3.078 204 H5 C 22 5H CYT 22 1.126 -9.615 -2.456 205 H6 C 22 6H CYT 22 0.769 -11.659 -3.742 206 2H2* C 22 H2' CYT 22 2.799 -14.420 -4.558 207 2H5* T 23 H5' THY 23 4.319 -15.712 -8.309 208 H4* T 23 H4' THY 23 6.406 -14.894 -8.575 209 H3* T 23 H3' THY 23 6.460 -16.927 -6.808 210 2H2* T 23 H2' THY 23 8.156 -15.787 -5.036 211 H1* T 23 H1' THY 23 8.316 -13.616 -6.028 212 H3 T 23 3H THY 23 7.797 -10.510 -2.881 213 1H5M T 23 1H7 THY 23 3.947 -13.847 -1.839 214 2H5M T 23 2H7 THY 23 3.109 -12.775 -2.986 215 3H5M T 23 3H7 THY 23 3.772 -12.115 -1.471 216 H6 T 23 6H THY 23 5.063 -14.140 -4.328 217 2H5* A 24 H5' ADE 24 11.216 -15.512 -8.369 218 H4* A 24 H4' ADE 24 12.741 -13.993 -7.628 219 H3* A 24 H3' ADE 24 13.055 -16.376 -6.419 220 H1* A 24 H1' ADE 24 13.048 -13.125 -4.301 221 H8 A 24 8H ADE 24 9.781 -15.184 -3.934 222 1H6 A 24 1H6 ADE 24 7.776 -12.500 -0.410 223 2H6 A 24 2H6 ADE 24 8.268 -11.033 0.402 224 H2 A 24 2H ADE 24 12.193 -9.807 -1.389 225 2H2* A 24 H2' ADE 24 13.473 -15.445 -3.914 226 2H5* A 25 H5' ADE 25 17.291 -13.297 -5.657 227 H4* A 25 H4' ADE 25 17.581 -11.581 -4.133 228 H3* A 25 H3' ADE 25 18.602 -13.960 -3.373 229 H1* A 25 H1' ADE 25 16.516 -11.841 -0.889 230 H8 A 25 8H ADE 25 14.503 -14.844 -2.324 231 1H6 A 25 1H6 ADE 25 10.724 -14.519 0.716 232 2H6 A 25 2H6 ADE 25 10.321 -13.415 2.012 233 H2 A 25 2H ADE 25 13.668 -10.444 2.275 234 2H2* A 25 H2' ADE 25 17.827 -13.839 -0.783 235 2H5* C 26 H5' CYT 26 20.201 -10.025 -0.416 236 H4* C 26 H4' CYT 26 19.343 -9.014 1.472 237 H3* C 26 H3' CYT 26 21.235 -10.848 1.971 238 H1* C 26 H1' CYT 26 17.920 -10.941 4.010 239 1H4 C 26 1H4 CYT 26 14.701 -16.282 1.757 240 2H4 C 26 2H4 CYT 26 13.902 -15.759 3.222 241 H5 C 26 5H CYT 26 16.627 -15.143 0.828 242 H6 C 26 6H CYT 26 18.170 -13.276 1.118 243 H3T C 26 H3T CYT 26 19.728 -9.170 3.650 244 2H2* C 26 H2' CYT 26 20.022 -12.064 4.062 245 1H GLU 438 H GLU 438 -21.206 -4.429 11.466 246 HA GLU 438 HA GLU 438 -19.353 -5.192 9.306 247 1HB GLU 438 2HB GLU 438 -20.423 -7.479 9.519 248 2HB GLU 438 1HB GLU 438 -19.390 -6.986 10.854 249 1HG GLU 438 2HG GLU 438 -21.346 -6.394 12.170 250 2HG GLU 438 1HG GLU 438 -22.396 -6.838 10.826 251 H ASP 439 H ASP 439 -20.097 -4.751 7.349 252 HA ASP 439 HA ASP 439 -22.986 -4.985 6.845 253 1HB ASP 439 2HB ASP 439 -22.697 -3.039 5.235 254 2HB ASP 439 1HB ASP 439 -22.633 -2.639 6.948 255 H SER 440 H SER 440 -23.082 -6.785 5.638 256 HA SER 440 HA SER 440 -21.876 -6.748 3.020 257 1HB SER 440 2HB SER 440 -20.334 -7.908 4.935 258 2HB SER 440 1HB SER 440 -21.288 -9.291 4.399 259 HG SER 440 HG SER 440 -19.464 -9.139 3.116 260 H THR 441 H THR 441 -23.535 -7.256 1.761 261 HA THR 441 HA THR 441 -24.948 -9.722 2.089 262 HB THR 441 HB THR 441 -26.358 -8.674 3.620 263 HG1 THR 441 1HG THR 441 -28.083 -9.091 2.533 264 1HG2 THR 441 1HG2 THR 441 -25.456 -6.381 3.332 265 2HG2 THR 441 2HG2 THR 441 -27.210 -6.448 3.511 266 3HG2 THR 441 3HG2 THR 441 -26.495 -6.198 1.918 267 H THR 442 H THR 442 -25.086 -6.512 0.557 268 HA THR 442 HA THR 442 -25.621 -7.871 -2.004 269 HB THR 442 HB THR 442 -26.431 -5.353 -2.516 270 HG1 THR 442 1HG THR 442 -27.259 -5.760 0.154 271 1HG2 THR 442 1HG2 THR 442 -28.147 -6.665 -3.042 272 2HG2 THR 442 2HG2 THR 442 -28.725 -6.333 -1.408 273 3HG2 THR 442 3HG2 THR 442 -27.802 -7.798 -1.735 274 H ASN 443 H ASN 443 -23.059 -7.057 -0.598 275 HA ASN 443 HA ASN 443 -21.005 -6.264 -1.181 276 1HB ASN 443 2HB ASN 443 -22.318 -6.937 -3.697 277 2HB ASN 443 1HB ASN 443 -21.104 -5.678 -3.890 278 1HD2 ASN 443 1HD2 ASN 443 -18.990 -6.154 -2.786 279 2HD2 ASN 443 2HD2 ASN 443 -18.391 -7.768 -2.918 280 H ILE 444 H ILE 444 -20.421 -4.326 -0.483 281 HA ILE 444 HA ILE 444 -21.132 -1.961 -1.993 282 HB ILE 444 HB ILE 444 -21.818 -0.759 0.155 283 1HG1 ILE 444 2HG1 ILE 444 -22.619 -3.524 1.052 284 2HG1 ILE 444 1HG1 ILE 444 -21.112 -2.780 1.576 285 1HG2 ILE 444 1HG2 ILE 444 -23.955 -0.912 -0.533 286 2HG2 ILE 444 2HG2 ILE 444 -23.971 -2.674 -0.445 287 3HG2 ILE 444 3HG2 ILE 444 -23.256 -1.867 -1.842 288 1HD1 ILE 444 1HD1 ILE 444 -23.030 -0.844 2.060 289 2HD1 ILE 444 2HD1 ILE 444 -22.267 -1.902 3.248 290 3HD1 ILE 444 3HD1 ILE 444 -23.805 -2.361 2.518 291 H THR 445 H THR 445 -19.289 -0.909 -2.239 292 HA THR 445 HA THR 445 -17.262 0.051 -1.829 293 HB THR 445 HB THR 445 -17.701 -0.405 1.114 294 HG1 THR 445 1HG THR 445 -18.954 1.470 -0.587 295 1HG2 THR 445 1HG2 THR 445 -16.003 1.341 -0.511 296 2HG2 THR 445 2HG2 THR 445 -15.788 0.751 1.137 297 3HG2 THR 445 3HG2 THR 445 -16.833 2.137 0.826 298 H LYS 446 H LYS 446 -16.221 -1.747 -2.799 299 HA LYS 446 HA LYS 446 -15.240 -3.859 -1.054 300 1HB LYS 446 2HB LYS 446 -15.786 -3.594 -3.859 301 2HB LYS 446 1HB LYS 446 -14.118 -4.106 -3.639 302 1HG LYS 446 2HG LYS 446 -15.432 -5.736 -1.894 303 2HG LYS 446 1HG LYS 446 -16.611 -5.566 -3.198 304 1HD LYS 446 2HD LYS 446 -14.261 -5.960 -4.561 305 2HD LYS 446 1HD LYS 446 -14.060 -6.992 -3.144 306 1HE LYS 446 2HE LYS 446 -16.109 -8.147 -3.623 307 2HE LYS 446 1HE LYS 446 -16.487 -7.025 -4.930 308 1HZ LYS 446 1HZ LYS 446 -14.107 -7.918 -5.715 309 2HZ LYS 446 2HZ LYS 446 -15.567 -8.636 -6.176 310 3HZ LYS 446 3HZ LYS 446 -14.673 -9.289 -4.899 311 H LYS 447 H LYS 447 -14.124 -0.952 -2.590 312 HA LYS 447 HA LYS 447 -11.326 -1.575 -2.186 313 1HB LYS 447 2HB LYS 447 -12.317 -0.171 -4.103 314 2HB LYS 447 1HB LYS 447 -12.431 1.125 -2.920 315 1HG LYS 447 2HG LYS 447 -10.401 1.249 -4.311 316 2HG LYS 447 1HG LYS 447 -10.052 1.106 -2.587 317 1HD LYS 447 2HD LYS 447 -8.999 -0.852 -2.855 318 2HD LYS 447 1HD LYS 447 -10.247 -1.474 -3.934 319 1HE LYS 447 2HE LYS 447 -8.116 0.486 -4.768 320 2HE LYS 447 1HE LYS 447 -7.987 -1.260 -4.978 321 1HZ LYS 447 1HZ LYS 447 -9.460 0.663 -6.517 322 2HZ LYS 447 2HZ LYS 447 -10.399 -0.669 -6.070 323 3HZ LYS 447 3HZ LYS 447 -8.962 -0.900 -6.931 324 H GLN 448 H GLN 448 -10.169 -1.107 -0.438 325 HA GLN 448 HA GLN 448 -11.340 0.714 1.562 326 1HB GLN 448 2HB GLN 448 -10.095 -1.937 1.781 327 2HB GLN 448 1HB GLN 448 -9.480 -0.767 2.939 328 1HG GLN 448 2HG GLN 448 -11.336 -0.833 4.157 329 2HG GLN 448 1HG GLN 448 -12.378 -0.730 2.739 330 1HE2 GLN 448 1HE2 GLN 448 -10.548 -2.901 4.791 331 2HE2 GLN 448 2HE2 GLN 448 -11.423 -4.333 4.383 332 H LYS 449 H LYS 449 -10.332 2.551 0.640 333 HA LYS 449 HA LYS 449 -7.551 2.693 0.133 334 1HB LYS 449 2HB LYS 449 -7.952 5.170 0.092 335 2HB LYS 449 1HB LYS 449 -8.982 4.238 -0.986 336 1HG LYS 449 2HG LYS 449 -10.397 4.390 1.409 337 2HG LYS 449 1HG LYS 449 -9.700 5.995 1.177 338 1HD LYS 449 2HD LYS 449 -10.609 5.387 -1.334 339 2HD LYS 449 1HD LYS 449 -11.826 4.634 -0.303 340 1HE LYS 449 2HE LYS 449 -12.719 6.610 0.196 341 2HE LYS 449 1HE LYS 449 -11.150 7.257 0.676 342 1HZ LYS 449 1HZ LYS 449 -10.722 8.002 -1.473 343 2HZ LYS 449 2HZ LYS 449 -12.352 8.383 -1.242 344 3HZ LYS 449 3HZ LYS 449 -11.923 7.034 -2.168 345 H TRP 450 H TRP 450 -6.121 4.321 1.244 346 HA TRP 450 HA TRP 450 -5.926 3.632 4.016 347 1HB TRP 450 2HB TRP 450 -4.304 5.314 2.135 348 2HB TRP 450 1HB TRP 450 -3.977 5.351 3.864 349 HD1 TRP 450 HD TRP 450 -4.617 2.394 1.417 350 HE1 TRP 450 1HE TRP 450 -2.736 0.670 1.770 351 HE3 TRP 450 3HE TRP 450 -1.916 4.860 4.987 352 HZ2 TRP 450 2HZ TRP 450 -0.412 0.396 3.353 353 HZ3 TRP 450 3HZ TRP 450 0.122 3.802 5.868 354 HH2 TRP 450 HH TRP 450 0.856 1.617 5.067 355 H THR 451 H THR 451 -5.412 5.412 5.644 356 HA THR 451 HA THR 451 -7.457 7.512 5.405 357 HB THR 451 HB THR 451 -6.835 7.462 8.059 358 HG1 THR 451 1HG THR 451 -6.478 5.411 8.699 359 1HG2 THR 451 1HG2 THR 451 -9.062 7.345 7.814 360 2HG2 THR 451 2HG2 THR 451 -8.782 5.623 8.079 361 3HG2 THR 451 3HG2 THR 451 -8.964 6.246 6.439 362 H VAL 452 H VAL 452 -6.894 9.468 6.878 363 HA VAL 452 HA VAL 452 -4.398 10.518 5.890 364 HB VAL 452 HB VAL 452 -5.063 12.627 6.916 365 1HG1 VAL 452 1HG1 VAL 452 -6.181 11.486 4.761 366 2HG1 VAL 452 2HG1 VAL 452 -6.575 13.116 5.310 367 3HG1 VAL 452 3HG1 VAL 452 -7.626 11.765 5.734 368 1HG2 VAL 452 1HG2 VAL 452 -7.714 11.705 7.776 369 2HG2 VAL 452 2HG2 VAL 452 -6.623 12.875 8.514 370 3HG2 VAL 452 3HG2 VAL 452 -6.375 11.152 8.782 371 H GLU 453 H GLU 453 -5.451 9.017 8.796 372 HA GLU 453 HA GLU 453 -3.453 10.213 10.489 373 1HB GLU 453 2HB GLU 453 -5.510 8.068 10.801 374 2HB GLU 453 1HB GLU 453 -4.194 8.157 11.963 375 1HG GLU 453 2HG GLU 453 -5.313 9.703 13.073 376 2HG GLU 453 1HG GLU 453 -5.185 10.772 11.676 377 H GLU 454 H GLU 454 -3.924 7.069 8.922 378 HA GLU 454 HA GLU 454 -1.563 5.871 9.879 379 1HB GLU 454 2HB GLU 454 -3.125 5.292 7.360 380 2HB GLU 454 1HB GLU 454 -1.893 4.244 8.050 381 1HG GLU 454 2HG GLU 454 -3.646 4.699 10.144 382 2HG GLU 454 1HG GLU 454 -4.688 4.525 8.734 383 H SER 455 H SER 455 -2.240 7.800 7.010 384 HA SER 455 HA SER 455 0.247 7.371 5.732 385 1HB SER 455 2HB SER 455 -1.879 9.484 5.467 386 2HB SER 455 1HB SER 455 -0.371 9.597 4.561 387 HG SER 455 HG SER 455 -1.037 8.065 3.286 388 H GLU 456 H GLU 456 -0.753 9.503 8.290 389 HA GLU 456 HA GLU 456 1.394 11.355 8.088 390 1HB GLU 456 2HB GLU 456 -0.732 11.788 9.328 391 2HB GLU 456 1HB GLU 456 -0.209 10.638 10.552 392 1HG GLU 456 2HG GLU 456 1.146 12.114 11.526 393 2HG GLU 456 1HG GLU 456 1.770 12.701 9.984 394 H TRP 457 H TRP 457 0.905 8.394 9.955 395 HA TRP 457 HA TRP 457 3.286 8.534 11.456 396 1HB TRP 457 2HB TRP 457 1.871 6.002 10.614 397 2HB TRP 457 1HB TRP 457 2.868 6.252 12.045 398 HD1 TRP 457 HD TRP 457 1.425 9.080 12.834 399 HE1 TRP 457 1HE TRP 457 -0.895 8.968 13.946 400 HE3 TRP 457 3HE TRP 457 0.041 4.393 11.344 401 HZ2 TRP 457 2HZ TRP 457 -3.032 7.133 14.156 402 HZ3 TRP 457 3HZ TRP 457 -2.161 3.539 12.034 403 HH2 TRP 457 HH TRP 457 -3.662 4.881 13.413 404 H VAL 458 H VAL 458 2.582 7.388 8.239 405 HA VAL 458 HA VAL 458 5.008 5.945 7.856 406 HB VAL 458 HB VAL 458 3.179 7.148 5.771 407 1HG1 VAL 458 1HG1 VAL 458 5.417 6.607 4.913 408 2HG1 VAL 458 2HG1 VAL 458 4.176 5.553 4.234 409 3HG1 VAL 458 3HG1 VAL 458 5.235 4.956 5.511 410 1HG2 VAL 458 1HG2 VAL 458 3.063 4.663 7.380 411 2HG2 VAL 458 2HG2 VAL 458 2.616 4.547 5.679 412 3HG2 VAL 458 3HG2 VAL 458 1.758 5.662 6.742 413 H LYS 459 H LYS 459 4.059 9.285 7.441 414 HA LYS 459 HA LYS 459 6.322 10.052 5.880 415 1HB LYS 459 2HB LYS 459 4.115 11.296 6.028 416 2HB LYS 459 1HB LYS 459 4.644 11.875 7.602 417 1HG LYS 459 2HG LYS 459 6.785 12.502 6.049 418 2HG LYS 459 1HG LYS 459 5.449 12.709 4.917 419 1HD LYS 459 2HD LYS 459 4.389 13.974 7.000 420 2HD LYS 459 1HD LYS 459 6.092 14.206 7.400 421 1HE LYS 459 2HE LYS 459 6.457 15.594 5.645 422 2HE LYS 459 1HE LYS 459 5.315 14.748 4.602 423 1HZ LYS 459 1HZ LYS 459 4.832 16.909 6.519 424 2HZ LYS 459 2HZ LYS 459 3.599 15.778 6.268 425 3HZ LYS 459 3HZ LYS 459 4.196 16.679 4.968 426 H ALA 460 H ALA 460 5.534 10.230 9.331 427 HA ALA 460 HA ALA 460 8.073 11.435 9.984 428 1HB ALA 460 1HB ALA 460 5.983 11.913 11.250 429 2HB ALA 460 2HB ALA 460 7.332 11.395 12.261 430 3HB ALA 460 3HB ALA 460 6.038 10.262 11.872 431 H GLY 461 H GLY 461 6.696 8.228 9.912 432 1HA GLY 461 2HA GLY 461 8.503 6.888 11.580 433 2HA GLY 461 1HA GLY 461 7.628 6.155 10.244 434 H VAL 462 H VAL 462 8.681 7.493 8.083 435 HA VAL 462 HA VAL 462 11.265 6.229 7.885 436 HB VAL 462 HB VAL 462 9.887 7.921 5.800 437 1HG1 VAL 462 1HG1 VAL 462 11.621 5.634 5.098 438 2HG1 VAL 462 2HG1 VAL 462 12.421 7.054 5.767 439 3HG1 VAL 462 3HG1 VAL 462 11.434 7.201 4.312 440 1HG2 VAL 462 1HG2 VAL 462 9.469 5.342 5.035 441 2HG2 VAL 462 2HG2 VAL 462 8.284 6.351 5.866 442 3HG2 VAL 462 3HG2 VAL 462 9.285 5.226 6.785 443 H GLN 463 H GLU 463 10.024 9.434 8.346 444 HA GLN 463 HA GLU 463 12.335 10.860 7.505 445 1HB GLN 463 2HB GLU 463 10.009 11.819 7.786 446 2HB GLN 463 1HB GLU 463 10.293 11.796 9.523 447 1HG GLN 463 2HG GLU 463 12.018 13.393 9.362 448 2HG GLN 463 1HG GLU 463 12.108 13.226 7.610 449 H LYS 464 H LYS 464 11.553 9.118 10.377 450 HA LYS 464 HA LYS 464 13.854 10.321 11.761 451 1HB LYS 464 2HB LYS 464 11.264 9.220 12.696 452 2HB LYS 464 1HB LYS 464 12.662 8.911 13.715 453 1HG LYS 464 2HG LYS 464 12.857 11.605 13.090 454 2HG LYS 464 1HG LYS 464 11.134 11.338 13.355 455 1HD LYS 464 2HD LYS 464 11.406 10.962 15.561 456 2HD LYS 464 1HD LYS 464 12.902 10.057 15.323 457 1HE LYS 464 2HE LYS 464 13.492 12.708 14.630 458 2HE LYS 464 1HE LYS 464 12.526 12.802 16.103 459 1HZ LYS 464 1HZ LYS 464 15.202 11.766 15.709 460 2HZ LYS 464 2HZ LYS 464 14.217 10.831 16.717 461 3HZ LYS 464 3HZ LYS 464 14.499 12.458 17.083 462 H TYR 465 H TYR 465 12.258 7.197 11.156 463 HA TYR 465 HA TYR 465 14.608 5.755 12.053 464 1HB TYR 465 2HB TYR 465 11.972 4.795 10.924 465 2HB TYR 465 1HB TYR 465 13.257 3.732 11.486 466 HD1 TYR 465 1HD TYR 465 10.411 5.697 12.432 467 HD2 TYR 465 2HD TYR 465 13.949 3.867 13.923 468 HE1 TYR 465 1HE TYR 465 9.503 5.816 14.713 469 HE2 TYR 465 2HE TYR 465 13.052 3.982 16.210 470 HH TYR 465 HH TYR 465 10.780 4.111 17.293 471 H GLY 466 H GLY 466 12.876 6.354 9.023 472 1HA GLY 466 2HA GLY 466 14.295 6.696 7.043 473 2HA GLY 466 1HA GLY 466 15.251 5.332 7.596 474 H GLU 467 H GLU 467 14.665 4.903 5.187 475 HA GLU 467 HA GLU 467 12.037 3.701 4.862 476 1HB GLU 467 2HB GLU 467 13.633 5.062 3.132 477 2HB GLU 467 1HB GLU 467 14.031 3.405 2.707 478 1HG GLU 467 2HG GLU 467 11.382 3.184 2.729 479 2HG GLU 467 1HG GLU 467 11.505 4.902 2.359 480 H GLY 468 H GLY 468 11.656 1.527 4.451 481 1HA GLY 468 2HA GLY 468 12.311 -0.724 4.092 482 2HA GLY 468 1HA GLY 468 13.933 -0.312 4.625 483 H ASN 469 H ASN 469 12.628 1.166 6.964 484 HA ASN 469 HA ASN 469 12.394 -1.212 8.655 485 1HB ASN 469 2HB ASN 469 13.736 1.246 8.969 486 2HB ASN 469 1HB ASN 469 12.422 1.262 10.139 487 1HD2 ASN 469 1HD2 ASN 469 15.509 0.116 9.408 488 2HD2 ASN 469 2HD2 ASN 469 15.696 -0.961 10.746 489 H TRP 470 H TRP 470 10.187 -1.468 7.681 490 HA TRP 470 HA TRP 470 8.165 0.376 8.658 491 1HB TRP 470 2HB TRP 470 7.586 -2.227 7.270 492 2HB TRP 470 1HB TRP 470 6.639 -0.743 7.271 493 HD1 TRP 470 HD TRP 470 9.001 -2.630 5.176 494 HE1 TRP 470 1HE TRP 470 9.837 -1.191 3.214 495 HE3 TRP 470 3HE TRP 470 7.399 1.949 6.789 496 HZ2 TRP 470 2HZ TRP 470 9.818 1.526 2.451 497 HZ3 TRP 470 3HZ TRP 470 7.849 3.916 5.384 498 HH2 TRP 470 HH TRP 470 9.036 3.708 3.258 499 H ALA 471 H ALA 471 9.359 -2.849 9.316 500 HA ALA 471 HA ALA 471 7.381 -3.956 10.849 501 1HB ALA 471 1HB ALA 471 10.357 -4.105 11.321 502 2HB ALA 471 2HB ALA 471 9.386 -5.184 10.317 503 3HB ALA 471 3HB ALA 471 9.162 -5.167 12.064 504 H ALA 472 H ALA 472 9.921 -1.746 12.003 505 HA ALA 472 HA ALA 472 8.993 -1.696 14.688 506 1HB ALA 472 1HB ALA 472 10.701 0.344 13.262 507 2HB ALA 472 2HB ALA 472 11.298 -1.108 14.069 508 3HB ALA 472 3HB ALA 472 10.517 0.164 15.008 509 H ILE 473 H ILE 473 8.443 0.418 11.900 510 HA ILE 473 HA ILE 473 7.077 2.478 13.184 511 HB ILE 473 HB ILE 473 6.590 1.424 10.393 512 1HG1 ILE 473 2HG1 ILE 473 8.368 3.707 11.263 513 2HG1 ILE 473 1HG1 ILE 473 8.962 2.077 10.963 514 1HG2 ILE 473 1HG2 ILE 473 5.790 3.962 11.782 515 2HG2 ILE 473 2HG2 ILE 473 4.786 2.834 10.869 516 3HG2 ILE 473 3HG2 ILE 473 5.936 3.872 10.025 517 1HD1 ILE 473 1HD1 ILE 473 9.008 3.974 9.119 518 2HD1 ILE 473 2HD1 ILE 473 7.380 3.365 8.820 519 3HD1 ILE 473 3HD1 ILE 473 8.763 2.275 8.715 520 H SER 474 H SER 474 5.883 -0.603 11.922 521 HA SER 474 HA SER 474 3.147 0.006 12.606 522 1HB SER 474 2HB SER 474 3.905 -1.477 10.668 523 2HB SER 474 1HB SER 474 4.237 -2.713 11.882 524 HG SER 474 HG SER 474 2.199 -3.162 11.766 525 H LYS 475 H LYS 475 5.849 -1.139 14.294 526 HA LYS 475 HA LYS 475 4.274 -2.663 16.217 527 1HB LYS 475 2HB LYS 475 6.744 -3.115 15.263 528 2HB LYS 475 1HB LYS 475 7.159 -2.163 16.680 529 1HG LYS 475 2HG LYS 475 5.955 -3.728 18.102 530 2HG LYS 475 1HG LYS 475 5.501 -4.675 16.685 531 1HD LYS 475 2HD LYS 475 7.507 -5.675 16.569 532 2HD LYS 475 1HD LYS 475 8.374 -4.172 16.890 533 1HE LYS 475 2HE LYS 475 7.003 -4.978 19.262 534 2HE LYS 475 1HE LYS 475 7.928 -6.345 18.640 535 1HZ LYS 475 1HZ LYS 475 9.155 -4.866 20.205 536 2HZ LYS 475 2HZ LYS 475 9.083 -3.644 19.040 537 3HZ LYS 475 3HZ LYS 475 9.912 -5.078 18.706 538 H ASN 476 H ASN 476 5.253 0.530 15.760 539 HA ASN 476 HA ASN 476 5.051 1.077 18.649 540 1HB ASN 476 2HB ASN 476 7.172 1.694 17.116 541 2HB ASN 476 1HB ASN 476 6.203 3.142 16.857 542 1HD2 ASN 476 1HD2 ASN 476 5.526 4.337 18.741 543 2HD2 ASN 476 2HD2 ASN 476 6.517 4.328 20.156 544 H TYR 477 H TYR 477 3.853 1.868 15.469 545 HA TYR 477 HA TYR 477 2.154 3.979 16.574 546 1HB TYR 477 2HB TYR 477 2.963 3.202 13.797 547 2HB TYR 477 1HB TYR 477 1.506 4.157 14.045 548 HD1 TYR 477 1HD TYR 477 5.132 4.170 14.030 549 HD2 TYR 477 2HD TYR 477 1.667 6.415 15.059 550 HE1 TYR 477 1HE TYR 477 6.498 6.211 14.151 551 HE2 TYR 477 2HE TYR 477 3.023 8.463 15.184 552 HH TYR 477 HH TYR 477 5.842 8.776 15.657 553 HA PRO 478 HA PRO 478 -1.525 1.562 16.673 554 1HB PRO 478 2HB PRO 478 -3.059 3.759 15.468 555 2HB PRO 478 1HB PRO 478 -3.157 3.087 17.098 556 1HG PRO 478 2HG PRO 478 -2.133 5.528 16.621 557 2HG PRO 478 1HG PRO 478 -1.517 4.484 17.915 558 1HD PRO 478 2HD PRO 478 -0.378 5.003 15.191 559 2HD PRO 478 1HD PRO 478 0.456 4.876 16.756 560 H PHE 479 H PHE 479 -0.244 0.598 14.602 561 HA PHE 479 HA PHE 479 -1.786 0.963 12.164 562 1HB PHE 479 2HB PHE 479 0.769 -0.433 12.862 563 2HB PHE 479 1HB PHE 479 -0.091 -0.896 11.397 564 HD1 PHE 479 1HD PHE 479 1.745 1.780 13.091 565 HD2 PHE 479 2HD PHE 479 -0.220 0.587 9.511 566 HE1 PHE 479 1HE PHE 479 2.765 3.678 11.903 567 HE2 PHE 479 2HE PHE 479 0.797 2.479 8.316 568 HZ PHE 479 HZ PHE 479 2.293 4.028 9.513 569 H VAL 480 H VAL 480 -2.934 -0.700 11.118 570 HA VAL 480 HA VAL 480 -3.232 -3.284 12.343 571 HB VAL 480 HB VAL 480 -5.755 -3.012 12.561 572 1HG1 VAL 480 1HG1 VAL 480 -5.547 -2.672 14.807 573 2HG1 VAL 480 2HG1 VAL 480 -4.445 -1.310 14.613 574 3HG1 VAL 480 3HG1 VAL 480 -3.855 -2.958 14.400 575 1HG2 VAL 480 1HG2 VAL 480 -5.062 -0.089 12.794 576 2HG2 VAL 480 2HG2 VAL 480 -6.659 -0.832 12.898 577 3HG2 VAL 480 3HG2 VAL 480 -5.794 -0.811 11.363 578 H ASN 481 H ASN 481 -4.322 -4.777 11.010 579 HA ASN 481 HA ASN 481 -4.822 -5.706 8.985 580 1HB ASN 481 2HB ASN 481 -6.642 -3.533 9.469 581 2HB ASN 481 1HB ASN 481 -6.349 -3.678 7.737 582 1HD2 ASN 481 1HD2 ASN 481 -7.052 -5.475 6.648 583 2HD2 ASN 481 2HD2 ASN 481 -8.110 -6.646 7.351 584 H ARG 482 H ARG 482 -2.402 -4.058 9.132 585 HA ARG 482 HA ARG 482 -2.039 -3.677 6.259 586 1HB ARG 482 2HB ARG 482 -2.006 -1.550 8.269 587 2HB ARG 482 1HB ARG 482 -0.546 -1.600 7.293 588 1HG ARG 482 2HG ARG 482 -1.652 -1.066 5.359 589 2HG ARG 482 1HG ARG 482 -3.187 -1.730 5.926 590 1HD ARG 482 2HD ARG 482 -2.164 0.544 7.481 591 2HD ARG 482 1HD ARG 482 -2.596 0.919 5.814 592 HE ARG 482 HE ARG 482 -4.387 0.263 7.963 593 1HH1 ARG 482 1HH1 ARG 482 -3.971 0.299 4.499 594 2HH1 ARG 482 2HH1 ARG 482 -5.670 0.351 4.170 595 1HH2 ARG 482 1HH2 ARG 482 -6.621 0.331 7.534 596 2HH2 ARG 482 2HH2 ARG 482 -7.176 0.369 5.892 597 H THR 483 H THR 483 -0.343 -4.822 5.650 598 HA THR 483 HA THR 483 1.668 -5.577 7.630 599 HB THR 483 HB THR 483 2.404 -6.923 5.406 600 HG1 THR 483 1HG THR 483 0.540 -7.542 4.306 601 1HG2 THR 483 1HG2 THR 483 1.504 -8.828 6.319 602 2HG2 THR 483 2HG2 THR 483 0.060 -7.996 6.897 603 3HG2 THR 483 3HG2 THR 483 1.600 -7.762 7.721 604 H ALA 484 H ALA 484 3.965 -5.794 6.656 605 HA ALA 484 HA ALA 484 4.936 -3.216 6.131 606 1HB ALA 484 1HB ALA 484 7.095 -4.285 5.707 607 2HB ALA 484 2HB ALA 484 6.307 -5.860 5.636 608 3HB ALA 484 3HB ALA 484 6.322 -4.948 7.145 609 H VAL 485 H VAL 485 3.738 -5.669 4.014 610 HA VAL 485 HA VAL 485 4.996 -4.746 1.627 611 HB VAL 485 HB VAL 485 2.475 -6.389 1.908 612 1HG1 VAL 485 1HG1 VAL 485 4.371 -6.031 -0.410 613 2HG1 VAL 485 2HG1 VAL 485 2.712 -5.445 -0.311 614 3HG1 VAL 485 3HG1 VAL 485 3.030 -7.176 -0.358 615 1HG2 VAL 485 1HG2 VAL 485 3.869 -7.879 2.848 616 2HG2 VAL 485 2HG2 VAL 485 5.310 -7.045 2.274 617 3HG2 VAL 485 3HG2 VAL 485 4.435 -8.134 1.198 618 H MET 486 H MET 486 1.921 -4.095 3.226 619 HA MET 486 HA MET 486 0.828 -2.566 1.076 620 1HB MET 486 2HB MET 486 0.094 -2.916 3.973 621 2HB MET 486 1HB MET 486 -0.746 -1.757 2.953 622 1HG MET 486 2HG MET 486 -1.558 -3.459 1.526 623 2HG MET 486 1HG MET 486 -0.493 -4.664 2.249 624 1HE MET 486 1HE MET 486 -4.543 -4.232 2.612 625 2HE MET 486 2HE MET 486 -3.891 -5.863 2.771 626 3HE MET 486 3HE MET 486 -3.298 -4.797 1.497 627 H ILE 487 H ILE 487 2.599 -1.796 4.026 628 HA ILE 487 HA ILE 487 2.314 1.018 3.843 629 HB ILE 487 HB ILE 487 4.549 -0.498 5.194 630 1HG1 ILE 487 2HG1 ILE 487 2.230 0.504 6.746 631 2HG1 ILE 487 1HG1 ILE 487 1.936 -0.907 5.736 632 1HG2 ILE 487 1HG2 ILE 487 4.100 1.677 6.717 633 2HG2 ILE 487 2HG2 ILE 487 3.697 2.320 5.123 634 3HG2 ILE 487 3HG2 ILE 487 5.287 1.619 5.417 635 1HD1 ILE 487 1HD1 ILE 487 4.274 -0.843 7.590 636 2HD1 ILE 487 2HD1 ILE 487 3.403 -2.227 6.931 637 3HD1 ILE 487 3HD1 ILE 487 2.659 -1.233 8.185 638 H LYS 488 H LYS 488 4.547 -1.271 2.440 639 HA LYS 488 HA LYS 488 6.506 0.635 1.638 640 1HB LYS 488 2HB LYS 488 6.358 -2.120 1.709 641 2HB LYS 488 1HB LYS 488 6.327 -1.773 -0.015 642 1HG LYS 488 2HG LYS 488 8.345 -0.186 1.264 643 2HG LYS 488 1HG LYS 488 8.556 -1.888 1.678 644 1HD LYS 488 2HD LYS 488 9.031 -2.493 -0.465 645 2HD LYS 488 1HD LYS 488 7.990 -1.250 -1.161 646 1HE LYS 488 2HE LYS 488 10.255 -0.142 0.292 647 2HE LYS 488 1HE LYS 488 10.746 -1.190 -1.039 648 1HZ LYS 488 1HZ LYS 488 9.416 1.389 -1.106 649 2HZ LYS 488 2HZ LYS 488 8.856 0.252 -2.224 650 3HZ LYS 488 3HZ LYS 488 10.488 0.695 -2.214 651 H ASP 489 H ASP 489 3.618 -0.707 0.158 652 HA ASP 489 HA ASP 489 4.053 0.235 -2.462 653 1HB ASP 489 2HB ASP 489 1.763 -0.818 -0.917 654 2HB ASP 489 1HB ASP 489 1.346 0.199 -2.294 655 H ARG 490 H ARG 490 2.510 1.690 0.359 656 HA ARG 490 HA ARG 490 1.429 3.953 -0.884 657 1HB ARG 490 2HB ARG 490 1.904 3.032 1.814 658 2HB ARG 490 1HB ARG 490 2.241 4.751 1.684 659 1HG ARG 490 2HG ARG 490 -0.266 3.813 0.442 660 2HG ARG 490 1HG ARG 490 -0.185 3.755 2.204 661 1HD ARG 490 2HD ARG 490 0.317 6.175 0.475 662 2HD ARG 490 1HD ARG 490 -1.124 5.868 1.438 663 HE ARG 490 HE ARG 490 0.112 6.286 3.394 664 1HH1 ARG 490 1HH1 ARG 490 2.058 6.674 0.513 665 2HH1 ARG 490 2HH1 ARG 490 3.281 7.595 1.317 666 1HH2 ARG 490 1HH2 ARG 490 1.726 7.496 4.444 667 2HH2 ARG 490 2HH2 ARG 490 3.096 8.060 3.544 668 H TRP 491 H TRP 491 4.542 3.590 0.812 669 HA TRP 491 HA TRP 491 5.501 6.169 0.318 670 1HB TRP 491 2HB TRP 491 6.407 4.220 1.839 671 2HB TRP 491 1HB TRP 491 7.387 3.849 0.422 672 HD1 TRP 491 HD TRP 491 9.712 4.861 0.661 673 HE1 TRP 491 1HE TRP 491 10.704 7.028 1.637 674 HE3 TRP 491 3HE TRP 491 5.408 7.023 2.377 675 HZ2 TRP 491 2HZ TRP 491 9.784 9.344 2.960 676 HZ3 TRP 491 3HZ TRP 491 5.551 9.215 3.487 677 HH2 TRP 491 HH TRP 491 7.696 10.351 3.771 678 H ARG 492 H ARG 492 5.588 3.257 -1.637 679 HA ARG 492 HA ARG 492 7.435 4.220 -3.569 680 1HB ARG 492 2HB ARG 492 6.440 1.788 -3.040 681 2HB ARG 492 1HB ARG 492 5.384 2.230 -4.375 682 1HG ARG 492 2HG ARG 492 7.256 2.527 -5.839 683 2HG ARG 492 1HG ARG 492 8.390 2.306 -4.506 684 1HD ARG 492 2HD ARG 492 8.266 0.076 -4.634 685 2HD ARG 492 1HD ARG 492 6.510 0.098 -4.780 686 HE ARG 492 HE ARG 492 7.458 0.942 -7.215 687 1HH1 ARG 492 1HH1 ARG 492 7.815 -1.910 -5.237 688 2HH1 ARG 492 2HH1 ARG 492 8.049 -2.969 -6.587 689 1HH2 ARG 492 1HH2 ARG 492 7.762 -0.447 -8.992 690 2HH2 ARG 492 2HH2 ARG 492 8.017 -2.138 -8.721 691 H THR 493 H THR 493 3.990 4.536 -3.144 692 HA THR 493 HA THR 493 3.468 5.455 -5.810 693 HB THR 493 HB THR 493 1.784 5.691 -3.309 694 HG1 THR 493 1HG THR 493 1.957 3.716 -5.319 695 1HG2 THR 493 1HG2 THR 493 -0.038 5.575 -5.202 696 2HG2 THR 493 2HG2 THR 493 1.243 6.327 -6.153 697 3HG2 THR 493 3HG2 THR 493 0.661 7.108 -4.683 698 H MET 494 H MET 494 4.221 6.943 -2.729 699 HA MET 494 HA MET 494 3.614 9.611 -3.617 700 1HB MET 494 2HB MET 494 4.777 8.394 -1.150 701 2HB MET 494 1HB MET 494 5.021 10.110 -1.440 702 1HG MET 494 2HG MET 494 2.276 9.458 -1.879 703 2HG MET 494 1HG MET 494 2.785 8.834 -0.312 704 1HE MET 494 1HE MET 494 3.591 11.152 1.883 705 2HE MET 494 2HE MET 494 2.579 9.764 1.483 706 3HE MET 494 3HE MET 494 1.842 11.342 1.759 707 H LYS 495 H LYS 495 6.433 7.553 -3.483 708 HA LYS 495 HA LYS 495 8.282 9.693 -4.055 709 1HB LYS 495 2HB LYS 495 8.641 7.358 -2.826 710 2HB LYS 495 1HB LYS 495 9.033 6.841 -4.459 711 1HG LYS 495 2HG LYS 495 10.679 8.734 -4.554 712 2HG LYS 495 1HG LYS 495 10.390 8.969 -2.829 713 1HD LYS 495 2HD LYS 495 11.578 7.143 -2.254 714 2HD LYS 495 1HD LYS 495 10.980 6.201 -3.621 715 1HE LYS 495 2HE LYS 495 12.946 6.485 -4.613 716 2HE LYS 495 1HE LYS 495 12.605 8.213 -4.715 717 1HZ LYS 495 1HZ LYS 495 13.521 8.325 -2.370 718 2HZ LYS 495 2HZ LYS 495 14.640 8.048 -3.608 719 3HZ LYS 495 3HZ LYS 495 14.126 6.768 -2.631 720 H ARG 496 H ARG 496 6.303 7.538 -5.870 721 HA ARG 496 HA ARG 496 7.866 7.723 -8.290 722 1HB ARG 496 2HB ARG 496 6.327 5.778 -7.582 723 2HB ARG 496 1HB ARG 496 5.008 6.799 -8.132 724 1HG ARG 496 2HG ARG 496 5.574 6.592 -10.329 725 2HG ARG 496 1HG ARG 496 7.288 6.358 -9.979 726 1HD ARG 496 2HD ARG 496 6.708 4.113 -9.049 727 2HD ARG 496 1HD ARG 496 5.059 4.361 -9.621 728 HE ARG 496 HE ARG 496 7.051 4.674 -11.668 729 1HH1 ARG 496 1HH1 ARG 496 5.026 2.393 -9.970 730 2HH1 ARG 496 2HH1 ARG 496 5.044 1.231 -11.253 731 1HH2 ARG 496 1HH2 ARG 496 7.077 3.144 -13.356 732 2HH2 ARG 496 2HH2 ARG 496 6.211 1.657 -13.175 733 H LEU 497 H LEU 497 5.090 9.311 -6.870 734 HA LEU 497 HA LEU 497 5.213 11.318 -8.997 735 1HB LEU 497 2HB LEU 497 3.003 9.492 -8.484 736 2HB LEU 497 1HB LEU 497 2.505 11.171 -8.408 737 HG LEU 497 HG LEU 497 4.151 10.720 -10.738 738 1HD1 LEU 497 1HD1 LEU 497 2.684 9.246 -11.972 739 2HD1 LEU 497 2HD1 LEU 497 1.656 9.039 -10.551 740 3HD1 LEU 497 3HD1 LEU 497 3.307 8.417 -10.543 741 1HD2 LEU 497 1HD2 LEU 497 1.522 11.878 -10.026 742 2HD2 LEU 497 2HD2 LEU 497 1.762 11.402 -11.706 743 3HD2 LEU 497 3HD2 LEU 497 2.852 12.567 -10.957 744 H GLY 498 H GLY 498 6.360 12.412 -7.231 745 1HA GLY 498 2HA GLY 498 4.922 14.412 -6.031 746 2HA GLY 498 1HA GLY 498 4.951 13.122 -4.841 747 H MET 499 H MET 499 7.239 12.166 -4.523 748 HA MET 499 HA MET 499 8.929 14.362 -3.744 749 1HB MET 499 2HB MET 499 9.205 11.371 -3.461 750 2HB MET 499 1HB MET 499 10.410 12.508 -2.874 751 1HG MET 499 2HG MET 499 8.362 13.570 -1.640 752 2HG MET 499 1HG MET 499 7.660 11.969 -1.871 753 1HE MET 499 1HE MET 499 10.291 13.380 1.341 754 2HE MET 499 2HE MET 499 8.533 13.237 1.369 755 3HE MET 499 3HE MET 499 9.317 14.235 0.144 756 H ASN 500 H ASN 500 8.532 12.769 -6.611 757 HA ASN 500 HA ASN 500 11.319 13.305 -7.399 758 1HB ASN 500 2HB ASN 500 9.749 10.877 -7.681 759 2HB ASN 500 1HB ASN 500 10.336 11.452 -9.238 760 1HD2 ASN 500 1HD2 ASN 500 12.454 11.264 -9.727 761 2HD2 ASN 500 2HD2 ASN 500 13.628 10.535 -8.692 Start of MODEL 17 1 2H5* G 1 H5' GUA 1 7.153 -15.229 10.702 2 H4* G 1 H4' GUA 1 9.031 -13.596 11.349 3 H3* G 1 H3' GUA 1 6.773 -13.086 10.011 4 H1* G 1 H1' GUA 1 10.181 -12.187 8.311 5 H8 G 1 8H GUA 1 8.303 -15.142 6.729 6 H1 G 1 1H GUA 1 14.130 -13.963 4.324 7 1H2 G 1 1H2 GUA 1 14.387 -11.639 6.872 8 2H2 G 1 2H2 GUA 1 15.139 -12.404 5.492 9 2H2* G 1 H2' GUA 1 7.876 -11.835 7.876 10 H5T G 1 H5T GUA 1 8.802 -16.718 9.222 11 2H5* T 2 H5' THY 2 9.928 -9.212 10.534 12 H4* T 2 H4' THY 2 11.564 -8.239 9.294 13 H3* T 2 H3' THY 2 9.191 -7.040 8.876 14 2H2* T 2 H2' THY 2 9.408 -6.776 6.191 15 H1* T 2 H1' THY 2 11.431 -7.999 5.854 16 H3 T 2 3H THY 2 10.866 -10.822 2.460 17 1H5M T 2 1H7 THY 2 7.791 -13.255 5.292 18 2H5M T 2 2H7 THY 2 6.739 -12.174 4.351 19 3H5M T 2 3H7 THY 2 7.001 -11.872 6.085 20 H6 T 2 6H THY 2 8.595 -10.270 6.619 21 2H5* T 3 H5' THY 3 13.191 -4.580 6.532 22 H4* T 3 H4' THY 3 14.201 -4.978 4.500 23 H3* T 3 H3' THY 3 12.226 -3.124 4.418 24 2H2* T 3 H2' THY 3 11.199 -3.891 2.033 25 H1* T 3 H1' THY 3 12.541 -5.855 1.711 26 H3 T 3 3H THY 3 10.008 -9.310 0.477 27 1H5M T 3 1H7 THY 3 6.807 -8.443 3.630 28 2H5M T 3 2H7 THY 3 7.277 -6.858 4.294 29 3H5M T 3 3H7 THY 3 7.914 -8.352 5.022 30 H6 T 3 6H THY 3 9.739 -6.228 4.106 31 2H5* A 4 H5' ADE 4 14.949 -2.788 -0.272 32 H4* A 4 H4' ADE 4 14.827 -4.116 -2.210 33 H3* A 4 H3' ADE 4 13.246 -1.917 -2.068 34 H1* A 4 H1' ADE 4 11.904 -5.290 -3.370 35 H8 A 4 8H ADE 4 10.538 -4.462 0.174 36 1H6 A 4 1H6 ADE 4 7.274 -8.057 0.397 37 2H6 A 4 2H6 ADE 4 6.852 -9.362 -0.689 38 H2 A 4 2H ADE 4 9.522 -8.982 -4.272 39 2H2* A 4 H2' ADE 4 11.078 -3.039 -3.238 40 2H5* G 5 H5' GUA 5 13.766 -3.926 -6.720 41 H4* G 5 H4' GUA 5 12.689 -5.391 -8.060 42 H3* G 5 H3' GUA 5 11.635 -2.935 -8.372 43 H1* G 5 H1' GUA 5 9.297 -5.996 -7.891 44 H8 G 5 8H GUA 5 9.640 -3.830 -4.692 45 H1 G 5 1H GUA 5 5.175 -8.433 -4.534 46 1H2 G 5 1H2 GUA 5 6.308 -9.225 -7.706 47 2H2 G 5 2H2 GUA 5 5.196 -9.582 -6.405 48 2H2* G 5 H2' GUA 5 9.033 -3.679 -8.411 49 2H5* G 6 H5' GUA 6 9.864 -6.424 -11.520 50 H4* G 6 H4' GUA 6 8.042 -7.726 -11.782 51 H3* G 6 H3' GUA 6 7.565 -5.292 -12.843 52 H1* G 6 H1' GUA 6 4.936 -6.987 -10.568 53 H8 G 6 8H GUA 6 6.796 -4.084 -8.800 54 H1 G 6 1H GUA 6 1.908 -6.695 -5.572 55 1H2 G 6 1H2 GUA 6 1.692 -8.872 -8.252 56 2H2 G 6 2H2 GUA 6 1.064 -8.378 -6.697 57 2H2* G 6 H2' GUA 6 5.033 -5.021 -11.931 58 2H5* G 7 H5' GUA 7 4.042 -8.821 -14.248 59 H4* G 7 H4' GUA 7 2.063 -9.568 -13.366 60 H3* G 7 H3' GUA 7 1.735 -7.587 -15.152 61 H1* G 7 H1' GUA 7 -0.129 -7.420 -11.738 62 H8 G 7 8H GUA 7 3.011 -5.143 -11.894 63 H1 G 7 1H GUA 7 -0.867 -4.297 -6.856 64 1H2 G 7 1H2 GUA 7 -2.718 -6.880 -8.224 65 2H2 G 7 2H2 GUA 7 -2.541 -5.717 -6.931 66 2H2* G 7 H2' GUA 7 -0.144 -6.198 -13.781 67 2H5* T 8 H5' THY 8 -2.440 -9.743 -13.420 68 H4* T 8 H4' THY 8 -3.995 -9.380 -11.798 69 H3* T 8 H3' THY 8 -4.734 -8.299 -14.161 70 2H2* T 8 H2' THY 8 -5.758 -6.005 -13.147 71 H1* T 8 H1' THY 8 -5.094 -6.284 -10.867 72 H3 T 8 3H THY 8 -3.349 -2.417 -9.524 73 1H5M T 8 1H7 THY 8 0.413 -3.999 -12.550 74 2H5M T 8 2H7 THY 8 -0.667 -3.671 -13.927 75 3H5M T 8 3H7 THY 8 -0.185 -2.349 -12.837 76 H6 T 8 6H THY 8 -2.116 -5.507 -12.942 77 2H5* T 9 H5' THY 9 -8.642 -9.050 -10.814 78 H4* T 9 H4' THY 9 -9.430 -7.782 -9.108 79 H3* T 9 H3' THY 9 -10.734 -7.221 -11.416 80 2H2* T 9 H2' THY 9 -10.877 -4.544 -11.031 81 H1* T 9 H1' THY 9 -9.518 -4.406 -9.061 82 H3 T 9 3H THY 9 -6.639 -1.044 -9.560 83 1H5M T 9 1H7 THY 9 -4.605 -3.878 -13.033 84 2H5M T 9 2H7 THY 9 -6.131 -4.196 -13.891 85 3H5M T 9 3H7 THY 9 -5.477 -2.543 -13.822 86 H6 T 9 6H THY 9 -7.497 -4.977 -12.118 87 2H5* A 10 H5' ADE 10 -13.237 -5.161 -7.260 88 H4* A 10 H4' ADE 10 -12.831 -3.105 -6.281 89 H3* A 10 H3' ADE 10 -14.842 -3.137 -8.118 90 H1* A 10 H1' ADE 10 -12.254 -0.294 -7.933 91 H8 A 10 8H ADE 10 -11.634 -2.573 -11.024 92 1H6 A 10 1H6 ADE 10 -8.402 0.310 -13.229 93 2H6 A 10 2H6 ADE 10 -7.675 1.844 -12.802 94 H2 A 10 2H ADE 10 -9.384 3.023 -8.828 95 2H2* A 10 H2' ADE 10 -14.295 -0.680 -9.134 96 2H5* G 11 H5' GUA 11 -15.132 1.061 -4.921 97 H4* G 11 H4' GUA 11 -13.891 3.047 -4.905 98 H3* G 11 H3' GUA 11 -16.360 3.163 -5.964 99 H1* G 11 H1' GUA 11 -13.378 4.768 -7.849 100 H8 G 11 8H GUA 11 -14.370 1.313 -9.316 101 H1 G 11 1H GUA 11 -10.343 4.848 -12.842 102 1H2 G 11 1H2 GUA 11 -10.564 7.138 -10.255 103 2H2 G 11 2H2 GUA 11 -9.883 6.734 -11.814 104 2H2* G 11 H2' GUA 11 -15.756 4.681 -8.115 105 2H5* G 12 H5' GUA 12 -14.665 8.055 -4.752 106 H4* G 12 H4' GUA 12 -13.090 9.334 -5.925 107 H3* G 12 H3' GUA 12 -15.668 10.025 -6.203 108 H1* G 12 H1' GUA 12 -13.438 9.685 -9.369 109 H8 G 12 8H GUA 12 -15.629 6.543 -8.738 110 H1 G 12 1H GUA 12 -12.918 6.998 -14.532 111 1H2 G 12 1H2 GUA 12 -11.575 9.957 -13.343 112 2H2 G 12 2H2 GUA 12 -11.718 8.831 -14.673 113 2H2* G 12 H2' GUA 12 -15.655 10.427 -8.876 114 2H5* G 13 H5' GUA 13 -12.615 13.691 -8.445 115 H4* G 13 H4' GUA 13 -11.675 13.968 -10.590 116 H3* G 13 H3' GUA 13 -13.970 15.253 -10.045 117 H1* G 13 H1' GUA 13 -13.637 13.257 -13.361 118 H8 G 13 8H GUA 13 -15.610 11.326 -10.632 119 H1 G 13 1H GUA 13 -15.917 8.944 -16.579 120 1H2 G 13 1H2 GUA 13 -13.821 11.566 -17.417 121 2H2 G 13 2H2 GUA 13 -14.709 10.159 -17.952 122 H3T G 13 H3T GUA 13 -12.077 15.825 -11.411 123 2H2* G 13 H2' GUA 13 -15.237 14.734 -12.377 124 2H5* C 14 H5' CYT 14 -15.485 5.530 -24.793 125 H4* C 14 H4' CYT 14 -14.341 7.711 -24.264 126 H3* C 14 H3' CYT 14 -13.385 5.241 -23.807 127 H1* C 14 H1' CYT 14 -13.468 7.831 -20.907 128 1H4 C 14 1H4 CYT 14 -18.164 5.620 -16.783 129 2H4 C 14 2H4 CYT 14 -17.387 6.988 -16.017 130 H5 C 14 5H CYT 14 -17.557 4.830 -18.991 131 H6 C 14 6H CYT 14 -16.087 5.192 -20.905 132 2H2* C 14 H2' CYT 14 -12.593 5.637 -21.250 133 H5T C 14 H5T CYT 14 -17.255 5.095 -23.343 134 2H5* C 15 H5' CYT 15 -9.554 8.793 -22.920 135 H4* C 15 H4' CYT 15 -9.078 10.054 -21.039 136 H3* C 15 H3' CYT 15 -7.706 7.745 -21.225 137 H1* C 15 H1' CYT 15 -9.391 8.736 -17.871 138 1H4 C 15 1H4 CYT 15 -14.408 4.470 -17.112 139 2H4 C 15 2H4 CYT 15 -14.232 5.355 -15.616 140 H5 C 15 5H CYT 15 -13.012 4.872 -19.052 141 H6 C 15 6H CYT 15 -11.167 6.201 -19.938 142 2H2* C 15 H2' CYT 15 -7.909 7.022 -18.623 143 2H5* C 16 H5' CYT 16 -5.876 11.059 -17.742 144 H4* C 16 H4' CYT 16 -6.386 11.378 -15.534 145 H3* C 16 H3' CYT 16 -4.189 9.875 -15.872 146 H1* C 16 H1' CYT 16 -6.954 8.666 -13.398 147 1H4 C 16 1H4 CYT 16 -9.776 3.509 -16.463 148 2H4 C 16 2H4 CYT 16 -10.265 3.464 -14.784 149 H5 C 16 5H CYT 16 -8.318 5.221 -17.363 150 H6 C 16 6H CYT 16 -7.036 7.230 -16.835 151 2H2* C 16 H2' CYT 16 -4.750 8.006 -13.987 152 2H5* T 17 H5' THY 17 -5.060 11.543 -11.086 153 H4* T 17 H4' THY 17 -6.264 10.641 -9.392 154 H3* T 17 H3' THY 17 -3.665 9.906 -9.213 155 2H2* T 17 H2' THY 17 -4.128 7.346 -8.457 156 H1* T 17 H1' THY 17 -6.512 7.334 -8.718 157 H3 T 17 3H THY 17 -7.700 3.639 -10.900 158 1H5M T 17 1H7 THY 17 -5.371 5.664 -14.730 159 2H5M T 17 2H7 THY 17 -3.879 6.040 -13.836 160 3H5M T 17 3H7 THY 17 -4.362 4.345 -14.091 161 H6 T 17 6H THY 17 -4.733 7.218 -11.969 162 2H5* A 18 H5' ADE 18 -6.400 8.437 -5.288 163 H4* A 18 H4' ADE 18 -6.901 6.793 -3.854 164 H3* A 18 H3' ADE 18 -4.243 7.011 -3.871 165 H1* A 18 H1' ADE 18 -5.756 3.401 -4.618 166 H8 A 18 8H ADE 18 -4.143 5.373 -7.502 167 1H6 A 18 1H6 ADE 18 -4.968 2.133 -11.027 168 2H6 A 18 2H6 ADE 18 -5.840 0.616 -11.085 169 H2 A 18 2H ADE 18 -7.561 -0.038 -6.994 170 2H2* A 18 H2' ADE 18 -3.693 4.334 -4.076 171 2H5* A 19 H5' ADE 19 -6.463 3.511 -1.086 172 H4* A 19 H4' ADE 19 -7.224 1.398 -1.558 173 H3* A 19 H3' ADE 19 -4.876 1.411 -0.236 174 H1* A 19 H1' ADE 19 -5.362 -0.884 -3.334 175 H8 A 19 8H ADE 19 -3.153 2.227 -4.062 176 1H6 A 19 1H6 ADE 19 -1.704 0.898 -8.507 177 2H6 A 19 2H6 ADE 19 -2.072 -0.474 -9.528 178 H2 A 19 2H ADE 19 -4.950 -3.049 -7.249 179 2H2* A 19 H2' ADE 19 -3.704 -0.589 -1.644 180 2H5* C 20 H5' CYT 20 -7.153 -3.234 -0.284 181 H4* C 20 H4' CYT 20 -7.112 -5.031 -1.709 182 H3* C 20 H3' CYT 20 -5.334 -5.239 0.295 183 H1* C 20 H1' CYT 20 -4.205 -5.979 -3.352 184 1H4 C 20 1H4 CYT 20 -0.251 -0.912 -4.980 185 2H4 C 20 2H4 CYT 20 -0.094 -2.131 -6.228 186 H5 C 20 5H CYT 20 -1.719 -1.163 -3.071 187 H6 C 20 6H CYT 20 -3.331 -2.631 -1.976 188 2H2* C 20 H2' CYT 20 -3.257 -6.171 -1.169 189 2H5* C 21 H5' CYT 21 -6.180 -9.764 -2.177 190 H4* C 21 H4' CYT 21 -5.181 -10.614 -4.033 191 H3* C 21 H3' CYT 21 -3.948 -11.454 -1.794 192 H1* C 21 H1' CYT 21 -1.850 -10.118 -4.771 193 1H4 C 21 1H4 CYT 21 0.639 -4.332 -2.707 194 2H4 C 21 2H4 CYT 21 1.392 -4.717 -4.238 195 H5 C 21 5H CYT 21 -1.036 -5.742 -1.672 196 H6 C 21 6H CYT 21 -2.325 -7.802 -1.896 197 2H2* C 21 H2' CYT 21 -1.405 -11.170 -2.670 198 2H5* C 22 H5' CYT 22 -2.068 -13.840 -5.897 199 H4* C 22 H4' CYT 22 -0.185 -13.938 -7.147 200 H3* C 22 H3' CYT 22 0.177 -15.242 -4.826 201 H1* C 22 H1' CYT 22 2.873 -12.716 -6.037 202 1H4 C 22 1H4 CYT 22 2.362 -7.556 -1.903 203 2H4 C 22 2H4 CYT 22 3.826 -7.349 -2.836 204 H5 C 22 5H CYT 22 0.866 -9.439 -2.204 205 H6 C 22 6H CYT 22 0.478 -11.497 -3.456 206 2H2* C 22 H2' CYT 22 2.654 -14.304 -4.270 207 2H5* T 23 H5' THY 23 3.911 -15.577 -8.118 208 H4* T 23 H4' THY 23 5.952 -14.717 -8.548 209 H3* T 23 H3' THY 23 6.194 -16.771 -6.829 210 2H2* T 23 H2' THY 23 7.990 -15.622 -5.163 211 H1* T 23 H1' THY 23 8.036 -13.430 -6.116 212 H3 T 23 3H THY 23 7.669 -10.415 -2.860 213 1H5M T 23 1H7 THY 23 3.796 -13.862 -1.891 214 2H5M T 23 2H7 THY 23 2.987 -12.504 -2.711 215 3H5M T 23 3H7 THY 23 3.835 -12.235 -1.168 216 H6 T 23 6H THY 23 4.889 -14.035 -4.248 217 2H5* A 24 H5' ADE 24 10.699 -15.048 -8.584 218 H4* A 24 H4' ADE 24 12.306 -13.636 -7.875 219 H3* A 24 H3' ADE 24 12.692 -16.051 -6.764 220 H1* A 24 H1' ADE 24 12.821 -12.875 -4.531 221 H8 A 24 8H ADE 24 9.572 -14.941 -4.062 222 1H6 A 24 1H6 ADE 24 7.775 -12.387 -0.338 223 2H6 A 24 2H6 ADE 24 8.317 -10.951 0.503 224 H2 A 24 2H ADE 24 12.141 -9.669 -1.455 225 2H2* A 24 H2' ADE 24 13.265 -15.206 -4.259 226 2H5* A 25 H5' ADE 25 16.875 -12.942 -6.163 227 H4* A 25 H4' ADE 25 17.345 -11.347 -4.584 228 H3* A 25 H3' ADE 25 18.367 -13.762 -3.981 229 H1* A 25 H1' ADE 25 16.475 -11.731 -1.269 230 H8 A 25 8H ADE 25 14.372 -14.670 -2.692 231 1H6 A 25 1H6 ADE 25 10.728 -14.394 0.512 232 2H6 A 25 2H6 ADE 25 10.384 -13.313 1.843 233 H2 A 25 2H ADE 25 13.748 -10.354 2.017 234 2H2* A 25 H2' ADE 25 17.759 -13.746 -1.345 235 2H5* C 26 H5' CYT 26 20.350 -9.988 -0.969 236 H4* C 26 H4' CYT 26 19.560 -9.032 0.990 237 H3* C 26 H3' CYT 26 21.451 -10.905 1.319 238 H1* C 26 H1' CYT 26 18.229 -11.057 3.498 239 1H4 C 26 1H4 CYT 26 14.853 -16.265 1.171 240 2H4 C 26 2H4 CYT 26 14.120 -15.788 2.687 241 H5 C 26 5H CYT 26 16.753 -15.112 0.210 242 H6 C 26 6H CYT 26 18.332 -13.277 0.510 243 H3T C 26 H3T CYT 26 20.014 -9.440 3.278 244 2H2* C 26 H2' CYT 26 20.318 -12.203 3.406 245 1H GLU 438 H GLU 438 -20.882 -4.196 -9.699 246 HA GLU 438 HA GLU 438 -23.599 -5.016 -8.906 247 1HB GLU 438 2HB GLU 438 -20.990 -5.602 -7.804 248 2HB GLU 438 1HB GLU 438 -22.015 -4.836 -6.599 249 1HG GLU 438 2HG GLU 438 -23.662 -6.714 -7.790 250 2HG GLU 438 1HG GLU 438 -22.100 -7.519 -7.668 251 H ASP 439 H ASP 439 -24.917 -3.543 -8.038 252 HA ASP 439 HA ASP 439 -23.853 -0.854 -7.579 253 1HB ASP 439 2HB ASP 439 -26.261 -0.171 -7.621 254 2HB ASP 439 1HB ASP 439 -25.707 -0.926 -9.114 255 H SER 440 H SER 440 -24.903 0.401 -5.777 256 HA SER 440 HA SER 440 -24.621 -1.106 -3.333 257 1HB SER 440 2HB SER 440 -25.069 1.815 -3.936 258 2HB SER 440 1HB SER 440 -25.079 1.187 -2.288 259 HG SER 440 HG SER 440 -22.995 1.940 -3.593 260 H THR 441 H THR 441 -26.197 -1.867 -2.071 261 HA THR 441 HA THR 441 -28.843 -0.728 -2.079 262 HB THR 441 HB THR 441 -29.674 -3.248 -2.524 263 HG1 THR 441 1HG THR 441 -27.479 -2.927 -4.286 264 1HG2 THR 441 1HG2 THR 441 -29.556 -0.850 -4.107 265 2HG2 THR 441 2HG2 THR 441 -30.814 -2.082 -4.015 266 3HG2 THR 441 3HG2 THR 441 -29.454 -2.292 -5.121 267 H THR 442 H THR 442 -27.226 -3.809 -1.276 268 HA THR 442 HA THR 442 -28.472 -3.720 1.370 269 HB THR 442 HB THR 442 -27.165 -6.078 1.362 270 HG1 THR 442 1HG THR 442 -26.309 -5.897 -0.679 271 1HG2 THR 442 1HG2 THR 442 -29.358 -6.418 1.738 272 2HG2 THR 442 2HG2 THR 442 -29.325 -6.919 0.048 273 3HG2 THR 442 3HG2 THR 442 -29.864 -5.296 0.475 274 H ASN 443 H ASN 443 -26.126 -2.055 0.466 275 HA ASN 443 HA ASN 443 -24.173 -1.264 1.329 276 1HB ASN 443 2HB ASN 443 -25.717 -2.237 3.562 277 2HB ASN 443 1HB ASN 443 -23.998 -2.457 3.875 278 1HD2 ASN 443 1HD2 ASN 443 -26.174 -0.010 2.502 279 2HD2 ASN 443 2HD2 ASN 443 -25.437 1.335 3.296 280 H ILE 444 H ILE 444 -22.416 -2.033 0.361 281 HA ILE 444 HA ILE 444 -21.140 -4.407 1.449 282 HB ILE 444 HB ILE 444 -20.639 -5.001 -1.107 283 1HG1 ILE 444 2HG1 ILE 444 -22.904 -4.901 -2.297 284 2HG1 ILE 444 1HG1 ILE 444 -23.355 -3.678 -1.113 285 1HG2 ILE 444 1HG2 ILE 444 -22.702 -6.573 -0.893 286 2HG2 ILE 444 2HG2 ILE 444 -22.828 -5.876 0.722 287 3HG2 ILE 444 3HG2 ILE 444 -21.358 -6.722 0.240 288 1HD1 ILE 444 1HD1 ILE 444 -21.933 -2.118 -1.988 289 2HD1 ILE 444 2HD1 ILE 444 -22.383 -3.011 -3.441 290 3HD1 ILE 444 3HD1 ILE 444 -20.837 -3.328 -2.655 291 H THR 445 H THR 445 -19.257 -3.561 2.047 292 HA THR 445 HA THR 445 -18.026 -1.349 0.760 293 HB THR 445 HB THR 445 -17.712 -1.854 3.150 294 HG1 THR 445 1HG THR 445 -15.467 -1.483 3.167 295 1HG2 THR 445 1HG2 THR 445 -16.779 -4.408 2.133 296 2HG2 THR 445 2HG2 THR 445 -17.330 -3.957 3.746 297 3HG2 THR 445 3HG2 THR 445 -15.658 -3.662 3.272 298 H LYS 446 H LYS 446 -15.849 -1.355 -0.169 299 HA LYS 446 HA LYS 446 -14.512 -3.620 -1.085 300 1HB LYS 446 2HB LYS 446 -15.140 -3.353 -3.567 301 2HB LYS 446 1HB LYS 446 -16.254 -4.225 -2.523 302 1HG LYS 446 2HG LYS 446 -17.086 -1.576 -2.377 303 2HG LYS 446 1HG LYS 446 -16.667 -1.827 -4.072 304 1HD LYS 446 2HD LYS 446 -18.213 -4.000 -2.828 305 2HD LYS 446 1HD LYS 446 -19.065 -2.462 -2.977 306 1HE LYS 446 2HE LYS 446 -17.899 -2.670 -5.425 307 2HE LYS 446 1HE LYS 446 -18.213 -4.363 -5.048 308 1HZ LYS 446 1HZ LYS 446 -20.007 -2.711 -6.138 309 2HZ LYS 446 2HZ LYS 446 -20.408 -2.556 -4.501 310 3HZ LYS 446 3HZ LYS 446 -20.415 -4.080 -5.234 311 H LYS 447 H LYS 447 -12.529 -2.995 -1.683 312 HA LYS 447 HA LYS 447 -10.763 -1.667 -2.242 313 1HB LYS 447 2HB LYS 447 -11.891 -1.463 -4.398 314 2HB LYS 447 1HB LYS 447 -12.877 -0.146 -3.780 315 1HG LYS 447 2HG LYS 447 -11.348 1.208 -4.655 316 2HG LYS 447 1HG LYS 447 -10.323 0.741 -3.298 317 1HD LYS 447 2HD LYS 447 -10.384 -0.957 -5.759 318 2HD LYS 447 1HD LYS 447 -9.444 0.535 -5.756 319 1HE LYS 447 2HE LYS 447 -8.039 -0.226 -4.035 320 2HE LYS 447 1HE LYS 447 -9.150 -1.519 -3.584 321 1HZ LYS 447 1HZ LYS 447 -6.978 -1.766 -5.207 322 2HZ LYS 447 2HZ LYS 447 -8.268 -1.731 -6.298 323 3HZ LYS 447 3HZ LYS 447 -8.239 -2.885 -5.062 324 H GLN 448 H GLN 448 -10.689 -1.079 0.029 325 HA GLN 448 HA GLN 448 -11.738 1.564 0.686 326 1HB GLN 448 2HB GLN 448 -11.671 -0.678 2.183 327 2HB GLN 448 1HB GLN 448 -10.141 0.039 2.671 328 1HG GLN 448 2HG GLN 448 -11.202 1.386 4.059 329 2HG GLN 448 1HG GLN 448 -12.108 2.078 2.716 330 1HE2 GLN 448 1HE2 GLN 448 -14.221 1.665 2.547 331 2HE2 GLN 448 2HE2 GLN 448 -15.107 0.594 3.573 332 H LYS 449 H LYS 449 -10.431 3.354 0.673 333 HA LYS 449 HA LYS 449 -7.641 2.938 0.014 334 1HB LYS 449 2HB LYS 449 -7.611 5.388 -0.374 335 2HB LYS 449 1HB LYS 449 -8.835 4.552 -1.320 336 1HG LYS 449 2HG LYS 449 -10.566 5.286 0.185 337 2HG LYS 449 1HG LYS 449 -9.370 6.018 1.254 338 1HD LYS 449 2HD LYS 449 -9.112 7.833 -0.064 339 2HD LYS 449 1HD LYS 449 -9.264 6.898 -1.553 340 1HE LYS 449 2HE LYS 449 -11.746 6.701 -0.956 341 2HE LYS 449 1HE LYS 449 -11.439 7.992 0.206 342 1HZ LYS 449 1HZ LYS 449 -10.342 9.036 -1.973 343 2HZ LYS 449 2HZ LYS 449 -11.964 9.270 -1.556 344 3HZ LYS 449 3HZ LYS 449 -11.548 8.095 -2.697 345 H TRP 450 H TRP 450 -6.021 4.454 1.028 346 HA TRP 450 HA TRP 450 -5.881 3.950 3.799 347 1HB TRP 450 2HB TRP 450 -4.259 5.584 1.875 348 2HB TRP 450 1HB TRP 450 -3.932 5.677 3.600 349 HD1 TRP 450 HD TRP 450 -4.661 2.559 1.400 350 HE1 TRP 450 1HE TRP 450 -2.734 0.888 1.749 351 HE3 TRP 450 3HE TRP 450 -1.736 5.341 4.534 352 HZ2 TRP 450 2HZ TRP 450 -0.293 0.769 3.164 353 HZ3 TRP 450 3HZ TRP 450 0.380 4.379 5.339 354 HH2 TRP 450 HH TRP 450 1.084 2.139 4.668 355 H THR 451 H THR 451 -5.352 5.750 5.389 356 HA THR 451 HA THR 451 -7.300 7.932 5.068 357 HB THR 451 HB THR 451 -7.900 6.271 6.823 358 HG1 THR 451 1HG THR 451 -8.482 7.819 8.263 359 1HG2 THR 451 1HG2 THR 451 -6.489 5.544 8.354 360 2HG2 THR 451 2HG2 THR 451 -6.161 7.193 8.883 361 3HG2 THR 451 3HG2 THR 451 -5.208 6.478 7.585 362 H VAL 452 H VAL 452 -6.756 9.834 6.594 363 HA VAL 452 HA VAL 452 -4.202 10.819 5.802 364 HB VAL 452 HB VAL 452 -6.135 12.044 7.772 365 1HG1 VAL 452 1HG1 VAL 452 -5.035 14.167 7.042 366 2HG1 VAL 452 2HG1 VAL 452 -3.832 13.190 6.204 367 3HG1 VAL 452 3HG1 VAL 452 -3.988 13.081 7.956 368 1HG2 VAL 452 1HG2 VAL 452 -7.504 12.178 6.002 369 2HG2 VAL 452 2HG2 VAL 452 -6.222 11.772 4.862 370 3HG2 VAL 452 3HG2 VAL 452 -6.404 13.431 5.428 371 H GLU 453 H GLU 453 -5.385 9.237 8.650 372 HA GLU 453 HA GLU 453 -3.335 10.171 10.411 373 1HB GLU 453 2HB GLU 453 -5.387 7.982 10.544 374 2HB GLU 453 1HB GLU 453 -4.127 8.102 11.766 375 1HG GLU 453 2HG GLU 453 -5.215 9.706 12.826 376 2HG GLU 453 1HG GLU 453 -5.360 10.662 11.351 377 H GLU 454 H GLU 454 -3.873 7.129 8.656 378 HA GLU 454 HA GLU 454 -1.609 5.764 9.520 379 1HB GLU 454 2HB GLU 454 -3.253 5.606 7.011 380 2HB GLU 454 1HB GLU 454 -1.836 4.588 7.225 381 1HG GLU 454 2HG GLU 454 -2.781 3.510 9.108 382 2HG GLU 454 1HG GLU 454 -4.095 4.682 9.202 383 H SER 455 H SER 455 -1.995 8.059 6.864 384 HA SER 455 HA SER 455 0.593 7.676 5.773 385 1HB SER 455 2HB SER 455 -1.427 9.902 5.524 386 2HB SER 455 1HB SER 455 0.126 9.939 4.687 387 HG SER 455 HG SER 455 -1.619 7.728 4.475 388 H GLU 456 H GLU 456 -0.660 9.681 8.343 389 HA GLU 456 HA GLU 456 1.527 11.468 8.530 390 1HB GLU 456 2HB GLU 456 -0.615 10.615 10.466 391 2HB GLU 456 1HB GLU 456 0.662 11.728 10.944 392 1HG GLU 456 2HG GLU 456 -0.341 12.720 8.529 393 2HG GLU 456 1HG GLU 456 -1.749 12.233 9.471 394 H TRP 457 H TRP 457 0.850 8.333 9.984 395 HA TRP 457 HA TRP 457 3.044 8.329 11.776 396 1HB TRP 457 2HB TRP 457 1.693 5.903 10.588 397 2HB TRP 457 1HB TRP 457 2.548 6.009 12.125 398 HD1 TRP 457 HD TRP 457 1.033 8.832 12.941 399 HE1 TRP 457 1HE TRP 457 -1.375 8.651 13.833 400 HE3 TRP 457 3HE TRP 457 -0.169 4.215 11.104 401 HZ2 TRP 457 2HZ TRP 457 -3.502 6.795 13.768 402 HZ3 TRP 457 3HZ TRP 457 -2.413 3.314 11.559 403 HH2 TRP 457 HH TRP 457 -4.043 4.577 12.864 404 H VAL 458 H VAL 458 2.658 7.372 8.429 405 HA VAL 458 HA VAL 458 5.117 5.963 8.203 406 HB VAL 458 HB VAL 458 3.456 7.277 6.046 407 1HG1 VAL 458 1HG1 VAL 458 4.700 5.394 4.698 408 2HG1 VAL 458 2HG1 VAL 458 5.916 5.602 5.958 409 3HG1 VAL 458 3HG1 VAL 458 5.445 6.973 4.951 410 1HG2 VAL 458 1HG2 VAL 458 2.925 4.756 5.650 411 2HG2 VAL 458 2HG2 VAL 458 2.065 5.648 6.904 412 3HG2 VAL 458 3HG2 VAL 458 3.403 4.586 7.338 413 H LYS 459 H LYS 459 4.146 9.290 7.444 414 HA LYS 459 HA LYS 459 6.515 10.175 6.291 415 1HB LYS 459 2HB LYS 459 4.405 11.475 6.327 416 2HB LYS 459 1HB LYS 459 4.649 11.788 8.042 417 1HG LYS 459 2HG LYS 459 6.612 13.077 7.595 418 2HG LYS 459 1HG LYS 459 6.577 12.626 5.889 419 1HD LYS 459 2HD LYS 459 4.857 14.051 5.406 420 2HD LYS 459 1HD LYS 459 4.171 13.945 7.027 421 1HE LYS 459 2HE LYS 459 6.627 15.125 7.450 422 2HE LYS 459 1HE LYS 459 6.091 15.837 5.927 423 1HZ LYS 459 1HZ LYS 459 3.963 16.371 7.061 424 2HZ LYS 459 2HZ LYS 459 5.300 17.186 7.703 425 3HZ LYS 459 3HZ LYS 459 4.647 15.857 8.519 426 H ALA 460 H ALA 460 5.585 10.080 9.709 427 HA ALA 460 HA ALA 460 8.116 11.194 10.553 428 1HB ALA 460 1HB ALA 460 5.969 11.638 11.746 429 2HB ALA 460 2HB ALA 460 7.266 11.043 12.782 430 3HB ALA 460 3HB ALA 460 5.975 9.954 12.273 431 H GLY 461 H GLY 461 6.697 8.041 10.149 432 1HA GLY 461 2HA GLY 461 8.382 6.548 11.830 433 2HA GLY 461 1HA GLY 461 7.546 5.926 10.416 434 H VAL 462 H VAL 462 8.743 7.431 8.410 435 HA VAL 462 HA VAL 462 11.288 6.074 8.220 436 HB VAL 462 HB VAL 462 10.064 7.973 6.216 437 1HG1 VAL 462 1HG1 VAL 462 11.862 5.672 5.582 438 2HG1 VAL 462 2HG1 VAL 462 12.547 7.198 6.143 439 3HG1 VAL 462 3HG1 VAL 462 11.574 7.155 4.672 440 1HG2 VAL 462 1HG2 VAL 462 9.577 5.505 5.214 441 2HG2 VAL 462 2HG2 VAL 462 8.404 6.452 6.130 442 3HG2 VAL 462 3HG2 VAL 462 9.360 5.209 6.938 443 H GLN 463 H GLU 463 10.126 9.317 8.763 444 HA GLN 463 HA GLU 463 12.596 10.636 8.220 445 1HB GLN 463 2HB GLU 463 10.347 11.745 8.197 446 2HB GLN 463 1HB GLU 463 10.323 11.623 9.952 447 1HG GLN 463 2HG GLU 463 11.207 13.670 9.892 448 2HG GLN 463 1HG GLU 463 12.717 12.828 9.540 449 H LYS 464 H LYS 464 11.439 8.807 10.874 450 HA LYS 464 HA LYS 464 13.524 9.924 12.623 451 1HB LYS 464 2HB LYS 464 10.890 8.620 13.163 452 2HB LYS 464 1HB LYS 464 12.168 8.487 14.363 453 1HG LYS 464 2HG LYS 464 12.249 11.134 13.886 454 2HG LYS 464 1HG LYS 464 10.542 10.807 13.575 455 1HD LYS 464 2HD LYS 464 10.929 9.408 15.867 456 2HD LYS 464 1HD LYS 464 12.056 10.746 16.097 457 1HE LYS 464 2HE LYS 464 10.354 12.349 15.963 458 2HE LYS 464 1HE LYS 464 9.222 11.215 15.229 459 1HZ LYS 464 1HZ LYS 464 10.193 10.514 17.877 460 2HZ LYS 464 2HZ LYS 464 8.642 10.369 17.217 461 3HZ LYS 464 3HZ LYS 464 9.175 11.864 17.800 462 H TYR 465 H TYR 465 12.039 6.823 11.684 463 HA TYR 465 HA TYR 465 14.330 5.371 12.721 464 1HB TYR 465 2HB TYR 465 11.783 4.432 11.387 465 2HB TYR 465 1HB TYR 465 13.043 3.355 11.983 466 HD1 TYR 465 1HD TYR 465 10.117 5.245 12.829 467 HD2 TYR 465 2HD TYR 465 13.591 3.413 14.467 468 HE1 TYR 465 1HE TYR 465 9.073 5.266 15.055 469 HE2 TYR 465 2HE TYR 465 12.556 3.429 16.696 470 HH TYR 465 HH TYR 465 9.714 5.195 17.390 471 H GLY 466 H GLY 466 12.791 6.012 9.591 472 1HA GLY 466 2HA GLY 466 14.396 6.446 7.746 473 2HA GLY 466 1HA GLY 466 15.260 5.021 8.302 474 H GLU 467 H GLU 467 14.773 4.853 5.785 475 HA GLU 467 HA GLU 467 12.163 3.674 5.274 476 1HB GLU 467 2HB GLU 467 13.744 5.211 3.720 477 2HB GLU 467 1HB GLU 467 14.259 3.616 3.181 478 1HG GLU 467 2HG GLU 467 11.679 3.194 2.997 479 2HG GLU 467 1HG GLU 467 11.617 4.954 2.907 480 H GLY 468 H GLY 468 11.828 1.548 4.600 481 1HA GLY 468 2HA GLY 468 12.503 -0.658 4.076 482 2HA GLY 468 1HA GLY 468 14.105 -0.289 4.694 483 H ASN 469 H ASN 469 12.933 0.924 7.152 484 HA ASN 469 HA ASN 469 12.496 -1.601 8.569 485 1HB ASN 469 2HB ASN 469 12.926 -0.149 10.619 486 2HB ASN 469 1HB ASN 469 14.287 -0.379 9.525 487 1HD2 ASN 469 1HD2 ASN 469 15.365 1.369 8.994 488 2HD2 ASN 469 2HD2 ASN 469 14.771 2.990 9.047 489 H TRP 470 H TRP 470 10.265 -1.549 7.610 490 HA TRP 470 HA TRP 470 8.422 0.354 8.786 491 1HB TRP 470 2HB TRP 470 7.575 -2.079 7.241 492 2HB TRP 470 1HB TRP 470 6.798 -0.501 7.336 493 HD1 TRP 470 HD TRP 470 9.170 -2.495 5.248 494 HE1 TRP 470 1HE TRP 470 10.049 -1.056 3.302 495 HE3 TRP 470 3HE TRP 470 7.505 2.083 6.804 496 HZ2 TRP 470 2HZ TRP 470 10.039 1.658 2.531 497 HZ3 TRP 470 3HZ TRP 470 7.980 4.049 5.403 498 HH2 TRP 470 HH TRP 470 9.222 3.839 3.312 499 H ALA 471 H ALA 471 9.353 -3.000 9.157 500 HA ALA 471 HA ALA 471 7.330 -4.066 10.659 501 1HB ALA 471 1HB ALA 471 9.234 -5.386 9.975 502 2HB ALA 471 2HB ALA 471 9.027 -5.505 11.724 503 3HB ALA 471 3HB ALA 471 10.291 -4.474 11.055 504 H ALA 472 H ALA 472 10.066 -2.164 11.907 505 HA ALA 472 HA ALA 472 9.218 -2.239 14.611 506 1HB ALA 472 1HB ALA 472 11.536 -1.751 13.971 507 2HB ALA 472 2HB ALA 472 10.864 -0.487 15.003 508 3HB ALA 472 3HB ALA 472 11.016 -0.220 13.265 509 H ILE 473 H ILE 473 8.590 -0.027 11.952 510 HA ILE 473 HA ILE 473 7.422 2.056 13.441 511 HB ILE 473 HB ILE 473 6.783 1.254 10.601 512 1HG1 ILE 473 2HG1 ILE 473 8.780 3.324 11.518 513 2HG1 ILE 473 1HG1 ILE 473 9.234 1.660 11.163 514 1HG2 ILE 473 1HG2 ILE 473 6.340 3.764 10.433 515 2HG2 ILE 473 2HG2 ILE 473 6.286 3.748 12.196 516 3HG2 ILE 473 3HG2 ILE 473 5.138 2.783 11.271 517 1HD1 ILE 473 1HD1 ILE 473 7.925 2.271 8.902 518 2HD1 ILE 473 2HD1 ILE 473 9.657 2.519 9.132 519 3HD1 ILE 473 3HD1 ILE 473 8.538 3.865 9.347 520 H SER 474 H SER 474 5.912 -0.659 11.698 521 HA SER 474 HA SER 474 3.277 -0.027 12.567 522 1HB SER 474 2HB SER 474 3.767 -1.349 10.517 523 2HB SER 474 1HB SER 474 4.323 -2.677 11.539 524 HG SER 474 HG SER 474 2.117 -2.883 10.871 525 H LYS 475 H LYS 475 5.902 -1.428 14.169 526 HA LYS 475 HA LYS 475 4.271 -3.046 15.955 527 1HB LYS 475 2HB LYS 475 6.654 -3.609 15.061 528 2HB LYS 475 1HB LYS 475 7.200 -2.533 16.339 529 1HG LYS 475 2HG LYS 475 5.912 -3.942 17.957 530 2HG LYS 475 1HG LYS 475 5.634 -5.081 16.637 531 1HD LYS 475 2HD LYS 475 7.780 -5.813 16.634 532 2HD LYS 475 1HD LYS 475 8.432 -4.236 17.081 533 1HE LYS 475 2HE LYS 475 7.064 -4.900 19.333 534 2HE LYS 475 1HE LYS 475 7.589 -6.487 18.771 535 1HZ LYS 475 1HZ LYS 475 9.798 -5.937 19.002 536 2HZ LYS 475 2HZ LYS 475 9.115 -5.117 20.314 537 3HZ LYS 475 3HZ LYS 475 9.519 -4.270 18.907 538 H ASN 476 H ASN 476 5.579 0.125 15.795 539 HA ASN 476 HA ASN 476 5.125 0.503 18.679 540 1HB ASN 476 2HB ASN 476 7.388 1.082 17.377 541 2HB ASN 476 1HB ASN 476 6.523 2.589 17.084 542 1HD2 ASN 476 1HD2 ASN 476 5.689 3.722 18.968 543 2HD2 ASN 476 2HD2 ASN 476 6.564 3.630 20.454 544 H TYR 477 H TYR 477 4.062 1.398 15.520 545 HA TYR 477 HA TYR 477 2.523 3.657 16.563 546 1HB TYR 477 2HB TYR 477 3.301 2.752 13.820 547 2HB TYR 477 1HB TYR 477 1.870 3.760 14.011 548 HD1 TYR 477 1HD TYR 477 2.058 6.085 14.565 549 HD2 TYR 477 2HD TYR 477 5.527 3.622 14.431 550 HE1 TYR 477 1HE TYR 477 3.477 8.092 14.633 551 HE2 TYR 477 2HE TYR 477 6.956 5.622 14.500 552 HH TYR 477 HH TYR 477 6.042 8.505 15.479 553 HA PRO 478 HA PRO 478 -1.331 1.533 16.691 554 1HB PRO 478 2HB PRO 478 -3.086 3.394 15.811 555 2HB PRO 478 1HB PRO 478 -2.265 3.526 17.370 556 1HG PRO 478 2HG PRO 478 -1.594 4.839 14.766 557 2HG PRO 478 1HG PRO 478 -1.643 5.546 16.391 558 1HD PRO 478 2HD PRO 478 0.668 4.792 15.206 559 2HD PRO 478 1HD PRO 478 0.420 4.690 16.960 560 H PHE 479 H PHE 479 -0.041 0.549 14.527 561 HA PHE 479 HA PHE 479 -1.724 0.892 12.179 562 1HB PHE 479 2HB PHE 479 0.884 -0.475 12.728 563 2HB PHE 479 1HB PHE 479 -0.050 -0.933 11.309 564 HD1 PHE 479 1HD PHE 479 -0.440 0.673 9.507 565 HD2 PHE 479 2HD PHE 479 1.991 1.636 12.863 566 HE1 PHE 479 1HE PHE 479 0.492 2.588 8.276 567 HE2 PHE 479 2HE PHE 479 2.927 3.554 11.639 568 HZ PHE 479 HZ PHE 479 2.177 4.032 9.343 569 H VAL 480 H VAL 480 -2.729 -0.898 11.106 570 HA VAL 480 HA VAL 480 -3.013 -3.414 12.470 571 HB VAL 480 HB VAL 480 -5.551 -3.202 12.566 572 1HG1 VAL 480 1HG1 VAL 480 -4.258 -1.360 14.536 573 2HG1 VAL 480 2HG1 VAL 480 -3.815 -3.066 14.492 574 3HG1 VAL 480 3HG1 VAL 480 -5.487 -2.597 14.797 575 1HG2 VAL 480 1HG2 VAL 480 -6.531 -1.038 12.712 576 2HG2 VAL 480 2HG2 VAL 480 -5.580 -1.076 11.226 577 3HG2 VAL 480 3HG2 VAL 480 -4.952 -0.250 12.653 578 H ASN 481 H ASN 481 -3.891 -5.026 11.141 579 HA ASN 481 HA ASN 481 -4.214 -6.062 9.133 580 1HB ASN 481 2HB ASN 481 -6.264 -4.056 9.491 581 2HB ASN 481 1HB ASN 481 -5.943 -4.308 7.779 582 1HD2 ASN 481 1HD2 ASN 481 -6.344 -6.317 6.862 583 2HD2 ASN 481 2HD2 ASN 481 -7.322 -7.506 7.648 584 H ARG 482 H ARG 482 -2.019 -4.098 9.277 585 HA ARG 482 HA ARG 482 -1.686 -3.711 6.389 586 1HB ARG 482 2HB ARG 482 -2.048 -1.615 8.268 587 2HB ARG 482 1HB ARG 482 -0.363 -1.576 7.769 588 1HG ARG 482 2HG ARG 482 -1.424 -0.171 6.257 589 2HG ARG 482 1HG ARG 482 -1.275 -1.693 5.374 590 1HD ARG 482 2HD ARG 482 -3.478 -0.850 5.012 591 2HD ARG 482 1HD ARG 482 -3.604 -2.246 6.082 592 HE ARG 482 HE ARG 482 -3.425 0.186 7.549 593 1HH1 ARG 482 1HH1 ARG 482 -5.630 -1.796 5.710 594 2HH1 ARG 482 2HH1 ARG 482 -7.037 -1.215 6.535 595 1HH2 ARG 482 1HH2 ARG 482 -5.274 0.951 8.637 596 2HH2 ARG 482 2HH2 ARG 482 -6.836 0.344 8.195 597 H THR 483 H THR 483 0.069 -4.758 5.760 598 HA THR 483 HA THR 483 2.178 -5.321 7.713 599 HB THR 483 HB THR 483 2.912 -6.750 5.544 600 HG1 THR 483 1HG THR 483 1.239 -6.244 4.225 601 1HG2 THR 483 1HG2 THR 483 2.682 -8.014 7.435 602 2HG2 THR 483 2HG2 THR 483 1.309 -8.582 6.482 603 3HG2 THR 483 3HG2 THR 483 1.060 -7.409 7.775 604 H ALA 484 H ALA 484 4.444 -5.452 6.663 605 HA ALA 484 HA ALA 484 5.243 -2.863 5.967 606 1HB ALA 484 1HB ALA 484 6.721 -5.463 5.571 607 2HB ALA 484 2HB ALA 484 6.786 -4.422 6.994 608 3HB ALA 484 3HB ALA 484 7.440 -3.856 5.456 609 H VAL 485 H VAL 485 4.020 -5.423 4.025 610 HA VAL 485 HA VAL 485 5.166 -4.695 1.540 611 HB VAL 485 HB VAL 485 2.561 -6.134 2.070 612 1HG1 VAL 485 1HG1 VAL 485 3.543 -7.099 -0.286 613 2HG1 VAL 485 2HG1 VAL 485 3.978 -5.392 -0.383 614 3HG1 VAL 485 3HG1 VAL 485 2.295 -5.861 -0.141 615 1HG2 VAL 485 1HG2 VAL 485 4.377 -8.015 1.267 616 2HG2 VAL 485 2HG2 VAL 485 3.909 -7.699 2.939 617 3HG2 VAL 485 3HG2 VAL 485 5.362 -6.950 2.274 618 H MET 486 H MET 486 2.046 -3.913 3.057 619 HA MET 486 HA MET 486 1.066 -2.348 0.921 620 1HB MET 486 2HB MET 486 0.370 -2.546 3.838 621 2HB MET 486 1HB MET 486 -0.406 -1.354 2.804 622 1HG MET 486 2HG MET 486 -1.408 -3.004 1.470 623 2HG MET 486 1HG MET 486 -0.374 -4.275 2.122 624 1HE MET 486 1HE MET 486 -4.180 -3.689 2.348 625 2HE MET 486 2HE MET 486 -3.933 -5.253 3.125 626 3HE MET 486 3HE MET 486 -3.021 -4.835 1.675 627 H ILE 487 H ILE 487 2.698 -1.453 3.948 628 HA ILE 487 HA ILE 487 2.652 1.320 3.587 629 HB ILE 487 HB ILE 487 4.811 -0.262 4.986 630 1HG1 ILE 487 2HG1 ILE 487 2.631 0.951 6.560 631 2HG1 ILE 487 1HG1 ILE 487 2.150 -0.412 5.557 632 1HG2 ILE 487 1HG2 ILE 487 4.509 2.010 6.407 633 2HG2 ILE 487 2HG2 ILE 487 4.145 2.598 4.784 634 3HG2 ILE 487 3HG2 ILE 487 5.688 1.809 5.111 635 1HD1 ILE 487 1HD1 ILE 487 3.550 -0.394 8.052 636 2HD1 ILE 487 2HD1 ILE 487 4.515 -1.201 6.818 637 3HD1 ILE 487 3HD1 ILE 487 2.873 -1.753 7.155 638 H LYS 488 H LYS 488 4.733 -1.134 2.235 639 HA LYS 488 HA LYS 488 6.808 0.606 1.373 640 1HB LYS 488 2HB LYS 488 6.331 -2.167 1.376 641 2HB LYS 488 1HB LYS 488 6.544 -1.720 -0.311 642 1HG LYS 488 2HG LYS 488 8.503 -0.608 1.592 643 2HG LYS 488 1HG LYS 488 8.568 -2.351 1.319 644 1HD LYS 488 2HD LYS 488 9.600 -2.032 -0.622 645 2HD LYS 488 1HD LYS 488 8.262 -1.036 -1.196 646 1HE LYS 488 2HE LYS 488 9.279 0.933 -0.554 647 2HE LYS 488 1HE LYS 488 10.286 0.142 0.659 648 1HZ LYS 488 1HZ LYS 488 11.343 0.948 -1.535 649 2HZ LYS 488 2HZ LYS 488 10.677 -0.459 -2.197 650 3HZ LYS 488 3HZ LYS 488 11.783 -0.566 -0.923 651 H ASP 489 H ASP 489 3.793 -0.495 -0.050 652 HA ASP 489 HA ASP 489 4.320 0.470 -2.674 653 1HB ASP 489 2HB ASP 489 1.999 -0.639 -1.215 654 2HB ASP 489 1HB ASP 489 1.613 0.427 -2.564 655 H ARG 490 H ARG 490 3.009 1.893 0.234 656 HA ARG 490 HA ARG 490 1.845 4.180 -0.971 657 1HB ARG 490 2HB ARG 490 1.472 3.240 1.394 658 2HB ARG 490 1HB ARG 490 2.942 4.103 1.830 659 1HG ARG 490 2HG ARG 490 1.513 5.755 2.333 660 2HG ARG 490 1HG ARG 490 1.579 6.073 0.599 661 1HD ARG 490 2HD ARG 490 -0.456 4.973 0.208 662 2HD ARG 490 1HD ARG 490 -0.424 4.176 1.778 663 HE ARG 490 HE ARG 490 -0.891 6.348 2.784 664 1HH1 ARG 490 1HH1 ARG 490 -1.485 6.035 -0.654 665 2HH1 ARG 490 2HH1 ARG 490 -2.618 7.342 -0.697 666 1HH2 ARG 490 1HH2 ARG 490 -2.384 8.063 2.711 667 2HH2 ARG 490 2HH2 ARG 490 -3.128 8.490 1.206 668 H TRP 491 H TRP 491 4.962 3.693 0.678 669 HA TRP 491 HA TRP 491 5.948 6.284 0.350 670 1HB TRP 491 2HB TRP 491 6.865 4.203 1.686 671 2HB TRP 491 1HB TRP 491 7.813 3.949 0.224 672 HD1 TRP 491 HD TRP 491 10.142 4.954 0.453 673 HE1 TRP 491 1HE TRP 491 11.172 7.009 1.612 674 HE3 TRP 491 3HE TRP 491 5.910 6.912 2.549 675 HZ2 TRP 491 2HZ TRP 491 10.304 9.173 3.203 676 HZ3 TRP 491 3HZ TRP 491 6.097 8.976 3.874 677 HH2 TRP 491 HH TRP 491 8.249 10.082 4.194 678 H ARG 492 H ARG 492 6.007 3.507 -1.809 679 HA ARG 492 HA ARG 492 7.801 4.590 -3.713 680 1HB ARG 492 2HB ARG 492 6.350 2.185 -3.367 681 2HB ARG 492 1HB ARG 492 5.904 2.819 -4.945 682 1HG ARG 492 2HG ARG 492 8.704 3.074 -4.715 683 2HG ARG 492 1HG ARG 492 8.278 1.455 -4.160 684 1HD ARG 492 2HD ARG 492 6.852 2.240 -6.577 685 2HD ARG 492 1HD ARG 492 8.602 2.247 -6.781 686 HE ARG 492 HE ARG 492 8.638 -0.049 -6.486 687 1HH1 ARG 492 1HH1 ARG 492 5.420 1.191 -5.912 688 2HH1 ARG 492 2HH1 ARG 492 4.681 -0.374 -5.948 689 1HH2 ARG 492 1HH2 ARG 492 7.659 -2.102 -6.530 690 2HH2 ARG 492 2HH2 ARG 492 5.950 -2.240 -6.297 691 H THR 493 H THR 493 4.258 4.523 -3.534 692 HA THR 493 HA THR 493 3.833 5.885 -5.982 693 HB THR 493 HB THR 493 2.012 5.655 -3.579 694 HG1 THR 493 1HG THR 493 1.179 3.873 -4.664 695 1HG2 THR 493 1HG2 THR 493 1.519 7.340 -5.548 696 2HG2 THR 493 2HG2 THR 493 0.248 6.359 -4.816 697 3HG2 THR 493 3HG2 THR 493 0.975 5.863 -6.345 698 H MET 494 H MET 494 4.478 6.956 -2.731 699 HA MET 494 HA MET 494 3.662 9.677 -3.237 700 1HB MET 494 2HB MET 494 3.967 8.179 -0.962 701 2HB MET 494 1HB MET 494 5.401 9.195 -0.921 702 1HG MET 494 2HG MET 494 4.235 11.044 -0.450 703 2HG MET 494 1HG MET 494 2.924 10.621 -1.550 704 1HE MET 494 1HE MET 494 2.783 10.785 2.779 705 2HE MET 494 2HE MET 494 3.997 11.369 1.641 706 3HE MET 494 3HE MET 494 4.173 9.775 2.377 707 H LYS 495 H LYS 495 6.603 7.814 -3.365 708 HA LYS 495 HA LYS 495 8.270 10.184 -3.599 709 1HB LYS 495 2HB LYS 495 8.771 7.735 -2.567 710 2HB LYS 495 1HB LYS 495 9.421 7.525 -4.186 711 1HG LYS 495 2HG LYS 495 11.206 8.785 -3.754 712 2HG LYS 495 1HG LYS 495 10.246 10.027 -2.949 713 1HD LYS 495 2HD LYS 495 10.222 8.739 -0.904 714 2HD LYS 495 1HD LYS 495 11.057 7.403 -1.699 715 1HE LYS 495 2HE LYS 495 12.586 9.764 -2.098 716 2HE LYS 495 1HE LYS 495 12.167 9.668 -0.388 717 1HZ LYS 495 1HZ LYS 495 13.222 7.613 -0.175 718 2HZ LYS 495 2HZ LYS 495 14.281 8.515 -1.138 719 3HZ LYS 495 3HZ LYS 495 13.281 7.350 -1.845 720 H ARG 496 H ARG 496 6.558 8.053 -5.661 721 HA ARG 496 HA ARG 496 8.236 8.510 -7.971 722 1HB ARG 496 2HB ARG 496 6.784 6.416 -7.446 723 2HB ARG 496 1HB ARG 496 5.461 7.372 -8.098 724 1HG ARG 496 2HG ARG 496 6.194 7.190 -10.217 725 2HG ARG 496 1HG ARG 496 7.894 7.259 -9.750 726 1HD ARG 496 2HD ARG 496 7.555 4.916 -8.804 727 2HD ARG 496 1HD ARG 496 6.035 4.901 -9.695 728 HE ARG 496 HE ARG 496 8.121 5.633 -11.429 729 1HH1 ARG 496 1HH1 ARG 496 6.922 2.859 -9.686 730 2HH1 ARG 496 2HH1 ARG 496 7.553 1.714 -10.824 731 1HH2 ARG 496 1HH2 ARG 496 8.952 4.129 -12.926 732 2HH2 ARG 496 2HH2 ARG 496 8.706 2.436 -12.662 733 H LEU 497 H LEU 497 5.121 9.631 -6.742 734 HA LEU 497 HA LEU 497 5.293 11.922 -8.544 735 1HB LEU 497 2HB LEU 497 3.503 9.749 -8.944 736 2HB LEU 497 1HB LEU 497 2.554 11.134 -8.440 737 HG LEU 497 HG LEU 497 4.437 11.970 -10.437 738 1HD1 LEU 497 1HD1 LEU 497 2.577 10.046 -11.683 739 2HD1 LEU 497 2HD1 LEU 497 3.987 9.367 -10.869 740 3HD1 LEU 497 3HD1 LEU 497 4.200 10.541 -12.168 741 1HD2 LEU 497 1HD2 LEU 497 2.242 12.454 -11.643 742 2HD2 LEU 497 2HD2 LEU 497 2.499 13.240 -10.085 743 3HD2 LEU 497 3HD2 LEU 497 1.447 11.828 -10.196 744 H GLY 498 H GLY 498 5.790 13.096 -6.637 745 1HA GLY 498 2HA GLY 498 3.827 14.551 -5.468 746 2HA GLY 498 1HA GLY 498 3.920 13.132 -4.439 747 H MET 499 H MET 499 6.231 12.579 -3.737 748 HA MET 499 HA MET 499 7.313 14.935 -2.482 749 1HB MET 499 2HB MET 499 8.124 12.028 -2.363 750 2HB MET 499 1HB MET 499 8.898 13.302 -1.428 751 1HG MET 499 2HG MET 499 6.175 13.594 -0.924 752 2HG MET 499 1HG MET 499 6.462 11.855 -0.908 753 1HE MET 499 1HE MET 499 6.149 13.596 2.622 754 2HE MET 499 2HE MET 499 5.502 14.039 1.043 755 3HE MET 499 3HE MET 499 6.793 14.999 1.768 756 H ASN 500 H ASN 500 7.741 13.673 -5.487 757 HA ASN 500 HA ASN 500 10.549 14.555 -5.611 758 1HB ASN 500 2HB ASN 500 9.270 12.169 -6.597 759 2HB ASN 500 1HB ASN 500 9.947 13.081 -7.942 760 1HD2 ASN 500 1HD2 ASN 500 12.123 13.209 -8.186 761 2HD2 ASN 500 2HD2 ASN 500 13.251 12.354 -7.197 Start of MODEL 18 1 2H5* G 1 H5' GUA 1 8.692 -14.698 11.411 2 H4* G 1 H4' GUA 1 10.398 -12.862 11.661 3 H3* G 1 H3' GUA 1 8.017 -12.678 10.445 4 H1* G 1 H1' GUA 1 11.219 -11.600 8.493 5 H8 G 1 8H GUA 1 9.683 -14.948 7.333 6 H1 G 1 1H GUA 1 14.878 -12.984 4.123 7 1H2 G 1 1H2 GUA 1 14.964 -10.406 6.431 8 2H2 G 1 2H2 GUA 1 15.692 -11.160 5.028 9 2H2* G 1 H2' GUA 1 8.864 -11.500 8.159 10 H5T G 1 H5T GUA 1 9.314 -14.740 8.994 11 2H5* T 2 H5' THY 2 10.800 -8.512 10.578 12 H4* T 2 H4' THY 2 12.194 -7.454 9.163 13 H3* T 2 H3' THY 2 9.695 -6.523 8.784 14 2H2* T 2 H2' THY 2 9.773 -6.464 6.075 15 H1* T 2 H1' THY 2 11.866 -7.544 5.719 16 H3 T 2 3H THY 2 11.377 -10.722 2.641 17 1H5M T 2 1H7 THY 2 8.736 -12.963 6.235 18 2H5M T 2 2H7 THY 2 7.731 -12.546 4.826 19 3H5M T 2 3H7 THY 2 7.593 -11.603 6.329 20 H6 T 2 6H THY 2 9.296 -9.960 6.866 21 2H5* T 3 H5' THY 3 13.341 -4.019 6.135 22 H4* T 3 H4' THY 3 14.276 -4.322 4.070 23 H3* T 3 H3' THY 3 12.178 -2.628 4.020 24 2H2* T 3 H2' THY 3 11.070 -3.541 1.725 25 H1* T 3 H1' THY 3 12.497 -5.424 1.356 26 H3 T 3 3H THY 3 10.104 -9.077 0.457 27 1H5M T 3 1H7 THY 3 8.101 -8.699 4.781 28 2H5M T 3 2H7 THY 3 7.030 -7.638 3.836 29 3H5M T 3 3H7 THY 3 8.156 -6.936 5.021 30 H6 T 3 6H THY 3 9.985 -5.919 4.029 31 2H5* A 4 H5' ADE 4 14.652 -2.490 -0.734 32 H4* A 4 H4' ADE 4 14.474 -3.829 -2.631 33 H3* A 4 H3' ADE 4 12.812 -1.697 -2.513 34 H1* A 4 H1' ADE 4 11.533 -5.167 -3.634 35 H8 A 4 8H ADE 4 10.347 -4.263 -0.042 36 1H6 A 4 1H6 ADE 4 7.219 -7.946 0.487 37 2H6 A 4 2H6 ADE 4 6.775 -9.297 -0.532 38 H2 A 4 2H ADE 4 9.211 -8.946 -4.282 39 2H2* A 4 H2' ADE 4 10.640 -2.942 -3.546 40 2H5* G 5 H5' GUA 5 13.213 -3.860 -7.120 41 H4* G 5 H4' GUA 5 12.120 -5.420 -8.335 42 H3* G 5 H3' GUA 5 10.967 -3.013 -8.700 43 H1* G 5 H1' GUA 5 8.772 -6.129 -7.978 44 H8 G 5 8H GUA 5 9.178 -3.822 -4.885 45 H1 G 5 1H GUA 5 4.872 -8.546 -4.356 46 1H2 G 5 1H2 GUA 5 5.898 -9.434 -7.540 47 2H2 G 5 2H2 GUA 5 4.853 -9.770 -6.178 48 2H2* G 5 H2' GUA 5 8.396 -3.845 -8.583 49 2H5* G 6 H5' GUA 6 9.198 -6.663 -11.678 50 H4* G 6 H4' GUA 6 7.422 -8.041 -11.883 51 H3* G 6 H3' GUA 6 6.833 -5.648 -12.958 52 H1* G 6 H1' GUA 6 4.312 -7.349 -10.553 53 H8 G 6 8H GUA 6 6.256 -4.432 -8.897 54 H1 G 6 1H GUA 6 1.486 -6.981 -5.446 55 1H2 G 6 1H2 GUA 6 1.145 -9.180 -8.094 56 2H2 G 6 2H2 GUA 6 0.585 -8.667 -6.520 57 2H2* G 6 H2' GUA 6 4.335 -5.410 -11.954 58 2H5* G 7 H5' GUA 7 3.324 -9.218 -13.805 59 H4* G 7 H4' GUA 7 1.331 -9.945 -12.973 60 H3* G 7 H3' GUA 7 0.985 -8.010 -14.792 61 H1* G 7 H1' GUA 7 -0.880 -7.730 -11.372 62 H8 G 7 8H GUA 7 2.258 -5.470 -11.668 63 H1 G 7 1H GUA 7 -1.408 -4.568 -6.483 64 1H2 G 7 1H2 GUA 7 -3.298 -7.184 -7.729 65 2H2 G 7 2H2 GUA 7 -3.072 -5.997 -6.464 66 2H2* G 7 H2' GUA 7 -0.885 -6.580 -13.455 67 2H5* T 8 H5' THY 8 -3.204 -10.044 -12.986 68 H4* T 8 H4' THY 8 -4.839 -9.637 -11.458 69 H3* T 8 H3' THY 8 -5.454 -8.589 -13.861 70 2H2* T 8 H2' THY 8 -6.447 -6.237 -12.965 71 H1* T 8 H1' THY 8 -5.915 -6.474 -10.645 72 H3 T 8 3H THY 8 -4.074 -2.667 -9.255 73 1H5M T 8 1H7 THY 8 -0.279 -4.421 -12.160 74 2H5M T 8 2H7 THY 8 -1.298 -4.025 -13.563 75 3H5M T 8 3H7 THY 8 -0.787 -2.740 -12.443 76 H6 T 8 6H THY 8 -2.837 -5.821 -12.614 77 2H5* T 9 H5' THY 9 -9.256 -8.808 -10.516 78 H4* T 9 H4' THY 9 -10.285 -7.467 -9.052 79 H3* T 9 H3' THY 9 -11.322 -6.943 -11.486 80 2H2* T 9 H2' THY 9 -11.388 -4.249 -11.245 81 H1* T 9 H1' THY 9 -10.245 -4.045 -9.151 82 H3 T 9 3H THY 9 -7.058 -0.940 -9.413 83 1H5M T 9 1H7 THY 9 -4.920 -3.665 -12.754 84 2H5M T 9 2H7 THY 9 -6.361 -4.338 -13.554 85 3H5M T 9 3H7 THY 9 -5.971 -2.609 -13.730 86 H6 T 9 6H THY 9 -8.023 -4.818 -12.012 87 2H5* A 10 H5' ADE 10 -14.051 -4.627 -7.626 88 H4* A 10 H4' ADE 10 -13.586 -2.615 -6.580 89 H3* A 10 H3' ADE 10 -15.421 -2.483 -8.580 90 H1* A 10 H1' ADE 10 -12.639 0.158 -8.191 91 H8 A 10 8H ADE 10 -11.984 -2.188 -11.218 92 1H6 A 10 1H6 ADE 10 -8.278 0.323 -13.111 93 2H6 A 10 2H6 ADE 10 -7.429 1.769 -12.610 94 H2 A 10 2H ADE 10 -9.335 3.128 -8.785 95 2H2* A 10 H2' ADE 10 -14.597 -0.096 -9.558 96 2H5* G 11 H5' GUA 11 -15.932 1.917 -5.457 97 H4* G 11 H4' GUA 11 -14.355 3.682 -5.372 98 H3* G 11 H3' GUA 11 -16.662 4.034 -6.760 99 H1* G 11 H1' GUA 11 -13.254 5.182 -8.139 100 H8 G 11 8H GUA 11 -14.399 1.879 -9.834 101 H1 G 11 1H GUA 11 -9.645 5.064 -12.733 102 1H2 G 11 1H2 GUA 11 -9.995 7.338 -10.146 103 2H2 G 11 2H2 GUA 11 -9.155 6.888 -11.614 104 2H2* G 11 H2' GUA 11 -15.551 5.435 -8.797 105 2H5* G 12 H5' GUA 12 -14.438 8.554 -5.292 106 H4* G 12 H4' GUA 12 -12.643 9.670 -6.248 107 H3* G 12 H3' GUA 12 -15.071 10.672 -6.850 108 H1* G 12 H1' GUA 12 -12.433 10.147 -9.638 109 H8 G 12 8H GUA 12 -14.977 7.217 -9.518 110 H1 G 12 1H GUA 12 -11.554 7.788 -14.912 111 1H2 G 12 1H2 GUA 12 -10.125 10.532 -13.362 112 2H2 G 12 2H2 GUA 12 -10.197 9.508 -14.778 113 2H2* G 12 H2' GUA 12 -14.604 11.143 -9.472 114 2H5* G 13 H5' GUA 13 -11.361 14.204 -8.217 115 H4* G 13 H4' GUA 13 -9.964 14.379 -10.130 116 H3* G 13 H3' GUA 13 -12.113 15.976 -9.934 117 H1* G 13 H1' GUA 13 -11.462 14.054 -13.248 118 H8 G 13 8H GUA 13 -14.067 12.273 -10.987 119 H1 G 13 1H GUA 13 -13.845 10.374 -17.110 120 1H2 G 13 1H2 GUA 13 -11.333 12.731 -17.439 121 2H2 G 13 2H2 GUA 13 -12.313 11.502 -18.205 122 H3T G 13 H3T GUA 13 -10.846 17.172 -11.080 123 2H2* G 13 H2' GUA 13 -12.985 15.725 -12.481 124 2H5* C 14 H5' CYT 14 -13.072 7.681 -25.604 125 H4* C 14 H4' CYT 14 -11.614 9.534 -24.734 126 H3* C 14 H3' CYT 14 -11.233 6.894 -24.392 127 H1* C 14 H1' CYT 14 -11.199 9.260 -21.304 128 1H4 C 14 1H4 CYT 14 -16.723 7.751 -17.968 129 2H4 C 14 2H4 CYT 14 -15.843 8.931 -17.022 130 H5 C 14 5H CYT 14 -15.965 6.964 -20.128 131 H6 C 14 6H CYT 14 -14.212 7.147 -21.814 132 2H2* C 14 H2' CYT 14 -10.718 6.965 -21.734 133 H5T C 14 H5T CYT 14 -14.344 8.243 -23.133 134 2H5* C 15 H5' CYT 15 -7.092 9.674 -22.769 135 H4* C 15 H4' CYT 15 -6.665 10.703 -20.762 136 H3* C 15 H3' CYT 15 -5.645 8.213 -20.923 137 H1* C 15 H1' CYT 15 -7.592 9.320 -17.750 138 1H4 C 15 1H4 CYT 15 -13.239 5.848 -17.895 139 2H4 C 15 2H4 CYT 15 -13.126 6.613 -16.326 140 H5 C 15 5H CYT 15 -11.564 6.131 -19.623 141 H6 C 15 6H CYT 15 -9.444 7.199 -20.186 142 2H2* C 15 H2' CYT 15 -6.291 7.433 -18.409 143 2H5* C 16 H5' CYT 16 -4.273 11.036 -17.063 144 H4* C 16 H4' CYT 16 -4.844 11.285 -14.895 145 H3* C 16 H3' CYT 16 -2.810 9.541 -15.077 146 H1* C 16 H1' CYT 16 -5.925 8.616 -12.912 147 1H4 C 16 1H4 CYT 16 -9.002 3.891 -16.399 148 2H4 C 16 2H4 CYT 16 -9.637 3.850 -14.768 149 H5 C 16 5H CYT 16 -7.293 5.456 -17.105 150 H6 C 16 6H CYT 16 -5.851 7.291 -16.392 151 2H2* C 16 H2' CYT 16 -3.761 7.721 -13.303 152 2H5* T 17 H5' THY 17 -4.036 11.145 -10.382 153 H4* T 17 H4' THY 17 -5.508 10.363 -8.846 154 H3* T 17 H3' THY 17 -3.033 9.366 -8.406 155 2H2* T 17 H2' THY 17 -3.821 6.853 -7.766 156 H1* T 17 H1' THY 17 -6.149 7.074 -8.278 157 H3 T 17 3H THY 17 -7.442 3.554 -10.679 158 1H5M T 17 1H7 THY 17 -4.414 5.686 -14.104 159 2H5M T 17 2H7 THY 17 -3.023 5.369 -13.040 160 3H5M T 17 3H7 THY 17 -3.985 4.013 -13.676 161 H6 T 17 6H THY 17 -4.059 6.853 -11.333 162 2H5* A 18 H5' ADE 18 -6.267 8.044 -4.825 163 H4* A 18 H4' ADE 18 -6.947 6.440 -3.416 164 H3* A 18 H3' ADE 18 -4.303 6.562 -3.206 165 H1* A 18 H1' ADE 18 -5.814 2.980 -4.184 166 H8 A 18 8H ADE 18 -3.850 4.992 -6.778 167 1H6 A 18 1H6 ADE 18 -4.641 2.093 -10.599 168 2H6 A 18 2H6 ADE 18 -5.646 0.681 -10.844 169 H2 A 18 2H ADE 18 -7.771 -0.087 -6.972 170 2H2* A 18 H2' ADE 18 -3.816 3.867 -3.400 171 2H5* A 19 H5' ADE 19 -6.759 3.091 -0.762 172 H4* A 19 H4' ADE 19 -7.302 0.934 -1.001 173 H3* A 19 H3' ADE 19 -4.900 1.002 0.198 174 H1* A 19 H1' ADE 19 -5.429 -1.321 -2.882 175 H8 A 19 8H ADE 19 -3.285 1.814 -3.638 176 1H6 A 19 1H6 ADE 19 -2.174 0.692 -8.233 177 2H6 A 19 2H6 ADE 19 -2.642 -0.618 -9.296 178 H2 A 19 2H ADE 19 -5.418 -3.250 -6.956 179 2H2* A 19 H2' ADE 19 -3.716 -0.941 -1.265 180 2H5* C 20 H5' CYT 20 -7.222 -3.647 0.551 181 H4* C 20 H4' CYT 20 -7.237 -5.429 -0.870 182 H3* C 20 H3' CYT 20 -5.307 -5.664 0.987 183 H1* C 20 H1' CYT 20 -4.465 -6.325 -2.747 184 1H4 C 20 1H4 CYT 20 -0.654 -1.226 -4.595 185 2H4 C 20 2H4 CYT 20 -0.618 -2.410 -5.881 186 H5 C 20 5H CYT 20 -1.948 -1.524 -2.569 187 H6 C 20 6H CYT 20 -3.465 -3.014 -1.372 188 2H2* C 20 H2' CYT 20 -3.345 -6.548 -0.650 189 2H5* C 21 H5' CYT 21 -6.277 -10.144 -1.486 190 H4* C 21 H4' CYT 21 -5.375 -11.040 -3.362 191 H3* C 21 H3' CYT 21 -3.986 -11.813 -1.190 192 H1* C 21 H1' CYT 21 -2.096 -10.502 -4.322 193 1H4 C 21 1H4 CYT 21 0.385 -4.631 -2.503 194 2H4 C 21 2H4 CYT 21 1.060 -5.031 -4.066 195 H5 C 21 5H CYT 21 -1.202 -6.053 -1.352 196 H6 C 21 6H CYT 21 -2.458 -8.142 -1.466 197 2H2* C 21 H2' CYT 21 -1.509 -11.515 -2.241 198 2H5* C 22 H5' CYT 22 -2.202 -14.251 -5.308 199 H4* C 22 H4' CYT 22 -0.318 -14.349 -6.540 200 H3* C 22 H3' CYT 22 0.127 -15.532 -4.164 201 H1* C 22 H1' CYT 22 2.690 -12.969 -5.556 202 1H4 C 22 1H4 CYT 22 2.142 -7.652 -1.633 203 2H4 C 22 2H4 CYT 22 3.545 -7.419 -2.653 204 H5 C 22 5H CYT 22 0.726 -9.613 -1.772 205 H6 C 22 6H CYT 22 0.370 -11.739 -2.917 206 2H2* C 22 H2' CYT 22 2.577 -14.477 -3.706 207 2H5* T 23 H5' THY 23 3.782 -15.904 -7.543 208 H4* T 23 H4' THY 23 5.767 -14.968 -8.044 209 H3* T 23 H3' THY 23 6.161 -16.928 -6.234 210 2H2* T 23 H2' THY 23 7.943 -15.603 -4.688 211 H1* T 23 H1' THY 23 7.833 -13.463 -5.751 212 H3 T 23 3H THY 23 7.444 -10.331 -2.613 213 1H5M T 23 1H7 THY 23 3.311 -13.755 -1.993 214 2H5M T 23 2H7 THY 23 3.038 -12.019 -1.715 215 3H5M T 23 3H7 THY 23 4.031 -12.957 -0.576 216 H6 T 23 6H THY 23 4.784 -14.124 -3.743 217 2H5* A 24 H5' ADE 24 10.444 -15.173 -8.455 218 H4* A 24 H4' ADE 24 11.965 -13.588 -7.948 219 H3* A 24 H3' ADE 24 12.667 -15.899 -6.764 220 H1* A 24 H1' ADE 24 12.698 -12.599 -4.723 221 H8 A 24 8H ADE 24 9.681 -14.887 -3.862 222 1H6 A 24 1H6 ADE 24 8.057 -12.320 -0.066 223 2H6 A 24 2H6 ADE 24 8.566 -10.817 0.671 224 H2 A 24 2H ADE 24 12.090 -9.348 -1.684 225 2H2* A 24 H2' ADE 24 13.381 -14.863 -4.370 226 2H5* A 25 H5' ADE 25 16.582 -12.389 -6.656 227 H4* A 25 H4' ADE 25 16.963 -10.644 -5.196 228 H3* A 25 H3' ADE 25 18.315 -12.901 -4.606 229 H1* A 25 H1' ADE 25 16.452 -10.956 -1.814 230 H8 A 25 8H ADE 25 14.541 -14.152 -2.933 231 1H6 A 25 1H6 ADE 25 11.273 -14.165 0.665 232 2H6 A 25 2H6 ADE 25 10.970 -13.093 2.014 233 H2 A 25 2H ADE 25 14.013 -9.808 1.766 234 2H2* A 25 H2' ADE 25 17.954 -12.814 -1.925 235 2H5* C 26 H5' CYT 26 20.106 -8.788 -1.924 236 H4* C 26 H4' CYT 26 19.388 -7.827 0.065 237 H3* C 26 H3' CYT 26 21.501 -9.467 0.277 238 H1* C 26 H1' CYT 26 18.529 -9.866 2.761 239 1H4 C 26 1H4 CYT 26 15.571 -15.518 0.956 240 2H4 C 26 2H4 CYT 26 14.930 -15.055 2.517 241 H5 C 26 5H CYT 26 17.234 -14.208 -0.223 242 H6 C 26 6H CYT 26 18.611 -12.196 -0.143 243 H3T C 26 H3T CYT 26 21.849 -8.080 1.786 244 2H2* C 26 H2' CYT 26 20.720 -10.777 2.511 245 1H GLU 438 H GLU 438 -19.155 -2.189 -16.456 246 HA GLU 438 HA GLU 438 -20.709 -0.818 -15.525 247 1HB GLU 438 2HB GLU 438 -22.158 -2.898 -16.821 248 2HB GLU 438 1HB GLU 438 -22.985 -2.533 -15.314 249 1HG GLU 438 2HG GLU 438 -22.921 -0.112 -15.988 250 2HG GLU 438 1HG GLU 438 -22.353 -0.652 -17.569 251 H ASP 439 H ASP 439 -19.917 -0.550 -13.485 252 HA ASP 439 HA ASP 439 -21.208 -2.147 -11.392 253 1HB ASP 439 2HB ASP 439 -18.398 -2.146 -12.020 254 2HB ASP 439 1HB ASP 439 -18.645 -1.475 -10.411 255 H SER 440 H SER 440 -21.738 0.509 -12.472 256 HA SER 440 HA SER 440 -21.637 1.969 -9.952 257 1HB SER 440 2HB SER 440 -20.039 2.656 -12.286 258 2HB SER 440 1HB SER 440 -21.108 3.974 -11.813 259 HG SER 440 HG SER 440 -19.485 2.599 -9.950 260 H THR 441 H THR 441 -23.671 2.489 -9.537 261 HA THR 441 HA THR 441 -25.308 3.671 -11.650 262 HB THR 441 HB THR 441 -27.226 2.207 -10.494 263 HG1 THR 441 1HG THR 441 -24.943 0.530 -10.396 264 1HG2 THR 441 1HG2 THR 441 -27.320 1.778 -12.679 265 2HG2 THR 441 2HG2 THR 441 -26.381 0.343 -12.268 266 3HG2 THR 441 3HG2 THR 441 -25.566 1.791 -12.860 267 H THR 442 H THR 442 -25.923 2.511 -8.340 268 HA THR 442 HA THR 442 -26.889 5.198 -7.662 269 HB THR 442 HB THR 442 -27.578 3.681 -5.522 270 HG1 THR 442 1HG THR 442 -26.855 1.750 -6.323 271 1HG2 THR 442 1HG2 THR 442 -29.764 3.679 -6.287 272 2HG2 THR 442 2HG2 THR 442 -29.278 3.535 -7.975 273 3HG2 THR 442 3HG2 THR 442 -29.037 5.056 -7.114 274 H ASN 443 H ASN 443 -24.044 4.427 -7.798 275 HA ASN 443 HA ASN 443 -22.112 4.763 -6.639 276 1HB ASN 443 2HB ASN 443 -23.975 6.674 -5.679 277 2HB ASN 443 1HB ASN 443 -23.083 6.079 -4.281 278 1HD2 ASN 443 1HD2 ASN 443 -20.658 5.911 -4.688 279 2HD2 ASN 443 2HD2 ASN 443 -19.930 7.265 -5.477 280 H ILE 444 H ILE 444 -21.376 2.849 -5.946 281 HA ILE 444 HA ILE 444 -22.168 1.991 -3.251 282 HB ILE 444 HB ILE 444 -21.469 -0.182 -5.128 283 1HG1 ILE 444 2HG1 ILE 444 -24.145 -0.175 -5.536 284 2HG1 ILE 444 1HG1 ILE 444 -23.839 1.557 -5.522 285 1HG2 ILE 444 1HG2 ILE 444 -22.294 -0.078 -2.572 286 2HG2 ILE 444 2HG2 ILE 444 -22.532 -1.474 -3.622 287 3HG2 ILE 444 3HG2 ILE 444 -23.839 -0.315 -3.389 288 1HD1 ILE 444 1HD1 ILE 444 -23.629 1.046 -7.749 289 2HD1 ILE 444 2HD1 ILE 444 -22.885 -0.520 -7.430 290 3HD1 ILE 444 3HD1 ILE 444 -21.953 0.960 -7.207 291 H THR 445 H THR 445 -20.404 2.258 -2.083 292 HA THR 445 HA THR 445 -17.766 2.090 -3.215 293 HB THR 445 HB THR 445 -17.313 2.250 -0.549 294 HG1 THR 445 1HG THR 445 -18.957 3.147 0.487 295 1HG2 THR 445 1HG2 THR 445 -16.676 4.351 -0.950 296 2HG2 THR 445 2HG2 THR 445 -18.242 4.807 -1.620 297 3HG2 THR 445 3HG2 THR 445 -17.063 3.966 -2.626 298 H LYS 446 H LYS 446 -16.112 0.642 -2.574 299 HA LYS 446 HA LYS 446 -16.604 -1.598 -0.890 300 1HB LYS 446 2HB LYS 446 -17.705 -1.905 -3.383 301 2HB LYS 446 1HB LYS 446 -16.121 -2.633 -3.600 302 1HG LYS 446 2HG LYS 446 -17.433 -3.475 -1.140 303 2HG LYS 446 1HG LYS 446 -18.347 -3.880 -2.596 304 1HD LYS 446 2HD LYS 446 -15.850 -4.599 -3.354 305 2HD LYS 446 1HD LYS 446 -15.769 -4.920 -1.619 306 1HE LYS 446 2HE LYS 446 -17.876 -6.240 -1.846 307 2HE LYS 446 1HE LYS 446 -17.759 -6.034 -3.593 308 1HZ LYS 446 1HZ LYS 446 -15.398 -7.077 -2.247 309 2HZ LYS 446 2HZ LYS 446 -16.066 -7.497 -3.742 310 3HZ LYS 446 3HZ LYS 446 -16.738 -8.109 -2.316 311 H LYS 447 H LYS 447 -14.634 0.465 -1.266 312 HA LYS 447 HA LYS 447 -12.268 -1.193 -1.856 313 1HB LYS 447 2HB LYS 447 -12.915 0.940 -3.313 314 2HB LYS 447 1HB LYS 447 -12.100 1.779 -2.002 315 1HG LYS 447 2HG LYS 447 -10.100 1.222 -2.778 316 2HG LYS 447 1HG LYS 447 -10.551 -0.480 -2.911 317 1HD LYS 447 2HD LYS 447 -11.724 0.090 -5.052 318 2HD LYS 447 1HD LYS 447 -11.025 1.705 -4.933 319 1HE LYS 447 2HE LYS 447 -9.569 0.536 -6.344 320 2HE LYS 447 1HE LYS 447 -8.766 0.522 -4.775 321 1HZ LYS 447 1HZ LYS 447 -8.632 -1.648 -5.710 322 2HZ LYS 447 2HZ LYS 447 -10.294 -1.696 -6.020 323 3HZ LYS 447 3HZ LYS 447 -9.731 -1.721 -4.426 324 H GLN 448 H GLN 448 -10.620 -1.199 -0.385 325 HA GLN 448 HA GLN 448 -11.188 0.129 2.170 326 1HB GLN 448 2HB GLN 448 -10.447 -2.495 1.569 327 2HB GLN 448 1HB GLN 448 -8.987 -1.769 2.225 328 1HG GLN 448 2HG GLN 448 -9.775 -1.928 4.282 329 2HG GLN 448 1HG GLN 448 -11.224 -1.026 3.841 330 1HE2 GLN 448 1HE2 GLN 448 -10.122 -3.877 5.043 331 2HE2 GLN 448 2HE2 GLN 448 -11.479 -4.885 4.692 332 H LYS 449 H LYS 449 -10.400 2.143 1.145 333 HA LYS 449 HA LYS 449 -7.625 2.378 0.485 334 1HB LYS 449 2HB LYS 449 -8.090 4.789 0.334 335 2HB LYS 449 1HB LYS 449 -9.278 3.841 -0.550 336 1HG LYS 449 2HG LYS 449 -10.564 4.030 1.775 337 2HG LYS 449 1HG LYS 449 -9.597 5.503 1.873 338 1HD LYS 449 2HD LYS 449 -11.755 5.971 0.858 339 2HD LYS 449 1HD LYS 449 -10.462 6.202 -0.317 340 1HE LYS 449 2HE LYS 449 -11.017 4.285 -1.497 341 2HE LYS 449 1HE LYS 449 -11.873 3.573 -0.130 342 1HZ LYS 449 1HZ LYS 449 -12.857 6.021 -1.463 343 2HZ LYS 449 2HZ LYS 449 -13.710 4.943 -0.477 344 3HZ LYS 449 3HZ LYS 449 -13.256 4.482 -2.039 345 H TRP 450 H TRP 450 -6.275 4.116 1.598 346 HA TRP 450 HA TRP 450 -6.011 3.390 4.364 347 1HB TRP 450 2HB TRP 450 -4.488 5.221 2.523 348 2HB TRP 450 1HB TRP 450 -4.126 5.145 4.243 349 HD1 TRP 450 HD TRP 450 -4.743 2.320 1.643 350 HE1 TRP 450 1HE TRP 450 -2.787 0.655 1.813 351 HE3 TRP 450 3HE TRP 450 -1.981 4.688 5.230 352 HZ2 TRP 450 2HZ TRP 450 -0.387 0.385 3.279 353 HZ3 TRP 450 3HZ TRP 450 0.132 3.662 5.962 354 HH2 TRP 450 HH TRP 450 0.910 1.556 5.005 355 H THR 451 H THR 451 -5.574 5.174 6.007 356 HA THR 451 HA THR 451 -7.717 7.179 5.798 357 HB THR 451 HB THR 451 -6.988 7.064 8.470 358 HG1 THR 451 1HG THR 451 -7.164 4.404 7.522 359 1HG2 THR 451 1HG2 THR 451 -9.068 5.202 8.131 360 2HG2 THR 451 2HG2 THR 451 -9.278 6.448 6.901 361 3HG2 THR 451 3HG2 THR 451 -9.180 6.896 8.605 362 H VAL 452 H VAL 452 -7.224 9.106 7.380 363 HA VAL 452 HA VAL 452 -4.818 10.326 6.371 364 HB VAL 452 HB VAL 452 -5.549 12.348 7.518 365 1HG1 VAL 452 1HG1 VAL 452 -8.116 11.456 6.391 366 2HG1 VAL 452 2HG1 VAL 452 -6.705 11.223 5.357 367 3HG1 VAL 452 3HG1 VAL 452 -7.100 12.832 5.962 368 1HG2 VAL 452 1HG2 VAL 452 -8.123 11.270 8.416 369 2HG2 VAL 452 2HG2 VAL 452 -7.051 12.437 9.183 370 3HG2 VAL 452 3HG2 VAL 452 -6.730 10.711 9.344 371 H GLU 453 H GLU 453 -5.697 8.630 9.222 372 HA GLU 453 HA GLU 453 -3.713 9.846 10.917 373 1HB GLU 453 2HB GLU 453 -5.663 7.599 11.180 374 2HB GLU 453 1HB GLU 453 -4.308 7.671 12.299 375 1HG GLU 453 2HG GLU 453 -5.402 10.258 12.202 376 2HG GLU 453 1HG GLU 453 -6.757 9.139 12.327 377 H GLU 454 H GLU 454 -4.061 6.767 9.192 378 HA GLU 454 HA GLU 454 -1.591 5.678 10.032 379 1HB GLU 454 2HB GLU 454 -3.173 5.054 7.535 380 2HB GLU 454 1HB GLU 454 -1.913 4.048 8.238 381 1HG GLU 454 2HG GLU 454 -3.631 4.375 10.336 382 2HG GLU 454 1HG GLU 454 -4.726 4.315 8.957 383 H SER 455 H SER 455 -2.520 7.674 7.287 384 HA SER 455 HA SER 455 -0.086 7.430 5.862 385 1HB SER 455 2HB SER 455 -2.335 9.431 5.789 386 2HB SER 455 1HB SER 455 -0.891 9.643 4.801 387 HG SER 455 HG SER 455 -1.611 8.168 3.500 388 H GLU 456 H GLU 456 -1.037 9.344 8.589 389 HA GLU 456 HA GLU 456 1.020 11.319 8.321 390 1HB GLU 456 2HB GLU 456 -1.144 11.601 9.610 391 2HB GLU 456 1HB GLU 456 -0.443 10.575 10.854 392 1HG GLU 456 2HG GLU 456 1.508 12.460 10.451 393 2HG GLU 456 1HG GLU 456 0.018 13.384 10.262 394 H TRP 457 H TRP 457 0.649 8.324 10.161 395 HA TRP 457 HA TRP 457 3.031 8.525 11.650 396 1HB TRP 457 2HB TRP 457 1.698 5.965 10.755 397 2HB TRP 457 1HB TRP 457 2.715 6.204 12.176 398 HD1 TRP 457 HD TRP 457 1.170 8.974 13.044 399 HE1 TRP 457 1HE TRP 457 -1.114 8.737 14.210 400 HE3 TRP 457 3HE TRP 457 -0.026 4.246 11.524 401 HZ2 TRP 457 2HZ TRP 457 -3.153 6.799 14.448 402 HZ3 TRP 457 3HZ TRP 457 -2.164 3.275 12.257 403 HH2 TRP 457 HH TRP 457 -3.693 4.524 13.692 404 H VAL 458 H VAL 458 2.346 7.388 8.423 405 HA VAL 458 HA VAL 458 4.762 6.002 7.958 406 HB VAL 458 HB VAL 458 2.999 7.401 5.939 407 1HG1 VAL 458 1HG1 VAL 458 4.364 6.682 4.339 408 2HG1 VAL 458 2HG1 VAL 458 4.353 5.044 4.991 409 3HG1 VAL 458 3HG1 VAL 458 5.515 6.224 5.595 410 1HG2 VAL 458 1HG2 VAL 458 2.502 4.719 5.725 411 2HG2 VAL 458 2HG2 VAL 458 1.492 5.876 6.592 412 3HG2 VAL 458 3HG2 VAL 458 2.692 4.927 7.467 413 H LYS 459 H LYS 459 3.783 9.293 6.977 414 HA LYS 459 HA LYS 459 6.225 10.056 5.871 415 1HB LYS 459 2HB LYS 459 5.444 12.336 6.057 416 2HB LYS 459 1HB LYS 459 4.106 11.299 5.584 417 1HG LYS 459 2HG LYS 459 3.118 11.422 7.713 418 2HG LYS 459 1HG LYS 459 4.583 12.084 8.442 419 1HD LYS 459 2HD LYS 459 3.395 13.637 6.223 420 2HD LYS 459 1HD LYS 459 2.475 13.588 7.728 421 1HE LYS 459 2HE LYS 459 4.564 14.281 8.923 422 2HE LYS 459 1HE LYS 459 5.314 14.518 7.344 423 1HZ LYS 459 1HZ LYS 459 4.542 16.597 7.646 424 2HZ LYS 459 2HZ LYS 459 3.313 16.127 8.708 425 3HZ LYS 459 3HZ LYS 459 3.101 15.946 7.040 426 H ALA 460 H ALA 460 5.191 9.902 9.195 427 HA ALA 460 HA ALA 460 7.451 11.439 10.160 428 1HB ALA 460 1HB ALA 460 6.536 11.136 12.342 429 2HB ALA 460 2HB ALA 460 5.480 9.842 11.782 430 3HB ALA 460 3HB ALA 460 5.201 11.501 11.250 431 H GLY 461 H GLY 461 6.546 8.095 9.728 432 1HA GLY 461 2HA GLY 461 8.514 6.958 11.433 433 2HA GLY 461 1HA GLY 461 7.665 6.130 10.136 434 H VAL 462 H VAL 462 8.473 7.650 7.952 435 HA VAL 462 HA VAL 462 11.125 6.606 7.568 436 HB VAL 462 HB VAL 462 9.529 8.332 5.675 437 1HG1 VAL 462 1HG1 VAL 462 11.097 7.942 4.114 438 2HG1 VAL 462 2HG1 VAL 462 11.371 6.286 4.655 439 3HG1 VAL 462 3HG1 VAL 462 12.141 7.628 5.500 440 1HG2 VAL 462 1HG2 VAL 462 9.223 5.523 6.463 441 2HG2 VAL 462 2HG2 VAL 462 9.297 5.798 4.723 442 3HG2 VAL 462 3HG2 VAL 462 8.076 6.620 5.693 443 H GLN 463 H GLU 463 9.685 9.726 8.173 444 HA GLN 463 HA GLU 463 11.946 11.287 7.428 445 1HB GLN 463 2HB GLU 463 9.624 12.179 7.591 446 2HB GLN 463 1HB GLU 463 9.723 12.021 9.342 447 1HG GLN 463 2HG GLU 463 10.261 14.217 9.103 448 2HG GLN 463 1HG GLU 463 11.867 13.499 9.030 449 H LYS 464 H LYS 464 11.163 9.428 10.221 450 HA LYS 464 HA LYS 464 13.317 10.732 11.742 451 1HB LYS 464 2HB LYS 464 10.816 9.325 12.526 452 2HB LYS 464 1HB LYS 464 12.204 9.170 13.595 453 1HG LYS 464 2HG LYS 464 12.174 11.849 13.142 454 2HG LYS 464 1HG LYS 464 10.453 11.461 13.095 455 1HD LYS 464 2HD LYS 464 10.372 11.128 15.304 456 2HD LYS 464 1HD LYS 464 11.833 10.138 15.287 457 1HE LYS 464 2HE LYS 464 13.090 11.829 16.018 458 2HE LYS 464 1HE LYS 464 12.422 12.935 14.819 459 1HZ LYS 464 1HZ LYS 464 11.673 13.911 16.711 460 2HZ LYS 464 2HZ LYS 464 11.589 12.462 17.581 461 3HZ LYS 464 3HZ LYS 464 10.384 12.844 16.458 462 H TYR 465 H TYR 465 12.002 7.505 10.991 463 HA TYR 465 HA TYR 465 14.475 6.254 11.855 464 1HB TYR 465 2HB TYR 465 11.930 5.073 10.728 465 2HB TYR 465 1HB TYR 465 13.304 4.133 11.296 466 HD1 TYR 465 1HD TYR 465 10.312 5.900 12.236 467 HD2 TYR 465 2HD TYR 465 13.941 4.259 13.728 468 HE1 TYR 465 1HE TYR 465 9.385 5.938 14.515 469 HE2 TYR 465 2HE TYR 465 13.027 4.291 16.010 470 HH TYR 465 HH TYR 465 10.149 5.951 16.813 471 H GLY 466 H GLY 466 12.645 6.706 8.851 472 1HA GLY 466 2HA GLY 466 14.065 7.217 6.875 473 2HA GLY 466 1HA GLY 466 15.070 5.870 7.383 474 H GLU 467 H GLU 467 14.436 5.563 4.935 475 HA GLU 467 HA GLU 467 11.862 4.273 4.590 476 1HB GLU 467 2HB GLU 467 13.335 5.739 2.896 477 2HB GLU 467 1HB GLU 467 13.929 4.140 2.462 478 1HG GLU 467 2HG GLU 467 11.308 3.638 2.420 479 2HG GLU 467 1HG GLU 467 11.274 5.360 2.037 480 H GLY 468 H GLY 468 11.550 2.103 4.048 481 1HA GLY 468 2HA GLY 468 12.203 -0.127 3.693 482 2HA GLY 468 1HA GLY 468 13.844 0.301 4.149 483 H ASN 469 H ASN 469 12.455 1.727 6.554 484 HA ASN 469 HA ASN 469 12.437 -0.682 8.229 485 1HB ASN 469 2HB ASN 469 13.538 1.957 8.554 486 2HB ASN 469 1HB ASN 469 12.407 1.628 9.860 487 1HD2 ASN 469 1HD2 ASN 469 12.939 0.200 11.422 488 2HD2 ASN 469 2HD2 ASN 469 14.460 -0.618 11.507 489 H TRP 470 H TRP 470 10.208 -0.977 7.258 490 HA TRP 470 HA TRP 470 8.139 0.737 8.354 491 1HB TRP 470 2HB TRP 470 7.628 -1.848 6.912 492 2HB TRP 470 1HB TRP 470 6.633 -0.399 6.965 493 HD1 TRP 470 HD TRP 470 9.024 -2.152 4.785 494 HE1 TRP 470 1HE TRP 470 9.768 -0.637 2.842 495 HE3 TRP 470 3HE TRP 470 7.271 2.323 6.527 496 HZ2 TRP 470 2HZ TRP 470 9.630 2.092 2.140 497 HZ3 TRP 470 3HZ TRP 470 7.618 4.338 5.159 498 HH2 TRP 470 HH TRP 470 8.773 4.223 3.011 499 H ALA 471 H ALA 471 9.499 -2.440 8.886 500 HA ALA 471 HA ALA 471 7.600 -3.656 10.457 501 1HB ALA 471 1HB ALA 471 9.628 -4.795 9.764 502 2HB ALA 471 2HB ALA 471 9.442 -4.896 11.513 503 3HB ALA 471 3HB ALA 471 10.594 -3.760 10.815 504 H ALA 472 H ALA 472 10.137 -1.410 11.536 505 HA ALA 472 HA ALA 472 9.384 -1.467 14.272 506 1HB ALA 472 1HB ALA 472 10.842 0.457 14.544 507 2HB ALA 472 2HB ALA 472 10.904 0.684 12.797 508 3HB ALA 472 3HB ALA 472 11.615 -0.758 13.527 509 H ILE 473 H ILE 473 8.574 0.699 11.592 510 HA ILE 473 HA ILE 473 7.182 2.643 13.032 511 HB ILE 473 HB ILE 473 6.603 1.690 10.224 512 1HG1 ILE 473 2HG1 ILE 473 8.323 4.020 11.081 513 2HG1 ILE 473 1HG1 ILE 473 8.980 2.425 10.735 514 1HG2 ILE 473 1HG2 ILE 473 5.991 4.349 11.507 515 2HG2 ILE 473 2HG2 ILE 473 4.812 3.062 11.239 516 3HG2 ILE 473 3HG2 ILE 473 5.590 3.847 9.863 517 1HD1 ILE 473 1HD1 ILE 473 7.262 3.675 8.672 518 2HD1 ILE 473 2HD1 ILE 473 8.676 2.637 8.498 519 3HD1 ILE 473 3HD1 ILE 473 8.877 4.339 8.917 520 H SER 474 H SER 474 6.068 -0.420 11.651 521 HA SER 474 HA SER 474 3.342 -0.003 12.466 522 1HB SER 474 2HB SER 474 2.905 -2.169 11.546 523 2HB SER 474 1HB SER 474 4.067 -1.387 10.474 524 HG SER 474 HG SER 474 4.505 -3.437 12.364 525 H LYS 475 H LYS 475 6.160 -1.019 14.046 526 HA LYS 475 HA LYS 475 4.747 -2.676 15.983 527 1HB LYS 475 2HB LYS 475 7.246 -2.877 14.949 528 2HB LYS 475 1HB LYS 475 7.588 -2.009 16.438 529 1HG LYS 475 2HG LYS 475 6.621 -3.753 17.756 530 2HG LYS 475 1HG LYS 475 6.039 -4.583 16.311 531 1HD LYS 475 2HD LYS 475 8.652 -4.441 15.720 532 2HD LYS 475 1HD LYS 475 8.754 -4.476 17.481 533 1HE LYS 475 2HE LYS 475 7.192 -6.485 17.370 534 2HE LYS 475 1HE LYS 475 7.530 -6.514 15.641 535 1HZ LYS 475 1HZ LYS 475 8.961 -7.879 17.360 536 2HZ LYS 475 2HZ LYS 475 9.814 -6.422 17.461 537 3HZ LYS 475 3HZ LYS 475 9.653 -7.204 15.971 538 H ASN 476 H ASN 476 5.552 0.586 15.573 539 HA ASN 476 HA ASN 476 5.355 1.059 18.473 540 1HB ASN 476 2HB ASN 476 7.417 1.823 16.936 541 2HB ASN 476 1HB ASN 476 6.364 3.217 16.701 542 1HD2 ASN 476 1HD2 ASN 476 7.930 1.230 19.148 543 2HD2 ASN 476 2HD2 ASN 476 8.042 2.469 20.345 544 H TYR 477 H TYR 477 4.070 1.859 15.328 545 HA TYR 477 HA TYR 477 2.301 3.878 16.476 546 1HB TYR 477 2HB TYR 477 2.994 3.063 13.674 547 2HB TYR 477 1HB TYR 477 1.530 3.989 13.987 548 HD1 TYR 477 1HD TYR 477 5.161 4.079 13.819 549 HD2 TYR 477 2HD TYR 477 1.683 6.279 14.897 550 HE1 TYR 477 1HE TYR 477 6.483 6.153 13.825 551 HE2 TYR 477 2HE TYR 477 2.992 8.360 14.904 552 HH TYR 477 HH TYR 477 5.269 9.102 15.097 553 HA PRO 478 HA PRO 478 -1.236 1.282 16.824 554 1HB PRO 478 2HB PRO 478 -2.946 3.404 15.721 555 2HB PRO 478 1HB PRO 478 -2.908 2.729 17.351 556 1HG PRO 478 2HG PRO 478 -2.030 5.216 16.816 557 2HG PRO 478 1HG PRO 478 -1.288 4.204 18.068 558 1HD PRO 478 2HD PRO 478 -0.341 4.770 15.283 559 2HD PRO 478 1HD PRO 478 0.589 4.680 16.792 560 H PHE 479 H PHE 479 -0.055 0.360 14.687 561 HA PHE 479 HA PHE 479 -1.718 0.666 12.328 562 1HB PHE 479 2HB PHE 479 0.877 -0.691 12.936 563 2HB PHE 479 1HB PHE 479 -0.045 -1.211 11.528 564 HD1 PHE 479 1HD PHE 479 -0.084 0.069 9.552 565 HD2 PHE 479 2HD PHE 479 1.627 1.680 13.101 566 HE1 PHE 479 1HE PHE 479 0.851 1.935 8.250 567 HE2 PHE 479 2HE PHE 479 2.564 3.551 11.803 568 HZ PHE 479 HZ PHE 479 2.175 3.680 9.376 569 H VAL 480 H VAL 480 -2.861 -1.040 11.331 570 HA VAL 480 HA VAL 480 -3.120 -3.590 12.632 571 HB VAL 480 HB VAL 480 -5.639 -3.330 12.887 572 1HG1 VAL 480 1HG1 VAL 480 -4.309 -1.540 14.852 573 2HG1 VAL 480 2HG1 VAL 480 -3.713 -3.193 14.690 574 3HG1 VAL 480 3HG1 VAL 480 -5.399 -2.904 15.117 575 1HG2 VAL 480 1HG2 VAL 480 -6.559 -1.148 13.156 576 2HG2 VAL 480 2HG2 VAL 480 -5.717 -1.176 11.609 577 3HG2 VAL 480 3HG2 VAL 480 -4.971 -0.395 13.003 578 H ASN 481 H ASN 481 -4.250 -5.122 11.367 579 HA ASN 481 HA ASN 481 -4.773 -6.115 9.380 580 1HB ASN 481 2HB ASN 481 -6.568 -3.903 9.796 581 2HB ASN 481 1HB ASN 481 -6.295 -4.125 8.071 582 1HD2 ASN 481 1HD2 ASN 481 -6.927 -6.045 7.089 583 2HD2 ASN 481 2HD2 ASN 481 -8.027 -7.143 7.845 584 H ARG 482 H ARG 482 -2.359 -4.410 9.478 585 HA ARG 482 HA ARG 482 -1.961 -4.209 6.594 586 1HB ARG 482 2HB ARG 482 -2.040 -1.938 8.443 587 2HB ARG 482 1HB ARG 482 -0.570 -2.004 7.481 588 1HG ARG 482 2HG ARG 482 -1.726 -1.787 5.472 589 2HG ARG 482 1HG ARG 482 -3.264 -2.257 6.200 590 1HD ARG 482 2HD ARG 482 -1.988 0.146 7.334 591 2HD ARG 482 1HD ARG 482 -2.555 0.297 5.673 592 HE ARG 482 HE ARG 482 -4.168 0.040 8.047 593 1HH1 ARG 482 1HH1 ARG 482 -4.074 -0.320 4.577 594 2HH1 ARG 482 2HH1 ARG 482 -5.790 -0.168 4.391 595 1HH2 ARG 482 1HH2 ARG 482 -6.422 0.242 7.805 596 2HH2 ARG 482 2HH2 ARG 482 -7.122 0.151 6.222 597 H THR 483 H THR 483 0.040 -4.809 5.945 598 HA THR 483 HA THR 483 1.978 -5.461 8.069 599 HB THR 483 HB THR 483 2.772 -6.983 5.948 600 HG1 THR 483 1HG THR 483 -0.050 -7.138 5.934 601 1HG2 THR 483 1HG2 THR 483 1.620 -8.882 7.019 602 2HG2 THR 483 2HG2 THR 483 0.786 -7.740 8.074 603 3HG2 THR 483 3HG2 THR 483 2.542 -7.891 8.148 604 H ALA 484 H ALA 484 4.286 -5.659 7.085 605 HA ALA 484 HA ALA 484 5.122 -3.105 6.319 606 1HB ALA 484 1HB ALA 484 6.621 -4.683 7.411 607 2HB ALA 484 2HB ALA 484 7.315 -4.115 5.893 608 3HB ALA 484 3HB ALA 484 6.594 -5.720 5.982 609 H VAL 485 H VAL 485 3.939 -5.729 4.429 610 HA VAL 485 HA VAL 485 5.096 -4.998 1.938 611 HB VAL 485 HB VAL 485 2.588 -6.600 2.463 612 1HG1 VAL 485 1HG1 VAL 485 3.489 -7.604 0.182 613 2HG1 VAL 485 2HG1 VAL 485 4.153 -5.979 0.015 614 3HG1 VAL 485 3HG1 VAL 485 2.416 -6.205 0.223 615 1HG2 VAL 485 1HG2 VAL 485 4.042 -8.014 3.431 616 2HG2 VAL 485 2HG2 VAL 485 5.445 -7.231 2.704 617 3HG2 VAL 485 3HG2 VAL 485 4.506 -8.397 1.772 618 H MET 486 H MET 486 1.940 -4.372 3.449 619 HA MET 486 HA MET 486 0.872 -2.933 1.254 620 1HB MET 486 2HB MET 486 0.140 -3.149 4.159 621 2HB MET 486 1HB MET 486 -0.690 -2.012 3.105 622 1HG MET 486 2HG MET 486 -1.811 -3.627 2.009 623 2HG MET 486 1HG MET 486 -0.477 -4.774 2.109 624 1HE MET 486 1HE MET 486 -3.570 -5.761 2.564 625 2HE MET 486 2HE MET 486 -3.873 -4.075 2.985 626 3HE MET 486 3HE MET 486 -4.227 -5.349 4.151 627 H ILE 487 H ILE 487 2.629 -1.962 4.158 628 HA ILE 487 HA ILE 487 2.321 0.829 3.809 629 HB ILE 487 HB ILE 487 4.597 -0.576 5.207 630 1HG1 ILE 487 2HG1 ILE 487 2.224 0.467 6.679 631 2HG1 ILE 487 1HG1 ILE 487 2.051 -1.065 5.829 632 1HG2 ILE 487 1HG2 ILE 487 4.199 1.648 6.623 633 2HG2 ILE 487 2HG2 ILE 487 3.650 2.223 5.049 634 3HG2 ILE 487 3HG2 ILE 487 5.284 1.585 5.235 635 1HD1 ILE 487 1HD1 ILE 487 3.511 -0.420 8.280 636 2HD1 ILE 487 2HD1 ILE 487 4.387 -1.453 7.149 637 3HD1 ILE 487 3HD1 ILE 487 2.799 -1.942 7.742 638 H LYS 488 H LYS 488 4.600 -1.508 2.547 639 HA LYS 488 HA LYS 488 6.517 0.363 1.600 640 1HB LYS 488 2HB LYS 488 6.408 -2.376 1.829 641 2HB LYS 488 1HB LYS 488 6.311 -2.142 0.089 642 1HG LYS 488 2HG LYS 488 8.375 -0.548 1.432 643 2HG LYS 488 1HG LYS 488 8.614 -2.295 1.503 644 1HD LYS 488 2HD LYS 488 9.237 -2.367 -0.636 645 2HD LYS 488 1HD LYS 488 7.801 -1.473 -1.141 646 1HE LYS 488 2HE LYS 488 9.033 0.609 -0.300 647 2HE LYS 488 1HE LYS 488 10.475 -0.405 -0.291 648 1HZ LYS 488 1HZ LYS 488 10.631 0.370 -2.390 649 2HZ LYS 488 2HZ LYS 488 8.971 0.661 -2.541 650 3HZ LYS 488 3HZ LYS 488 9.574 -0.909 -2.724 651 H ASP 489 H ASP 489 3.615 -1.069 0.233 652 HA ASP 489 HA ASP 489 4.034 -0.210 -2.435 653 1HB ASP 489 2HB ASP 489 1.793 -1.344 -0.870 654 2HB ASP 489 1HB ASP 489 1.337 -0.395 -2.283 655 H ARG 490 H ARG 490 2.656 1.305 0.398 656 HA ARG 490 HA ARG 490 1.337 3.439 -0.888 657 1HB ARG 490 2HB ARG 490 1.667 2.566 1.731 658 2HB ARG 490 1HB ARG 490 2.445 4.144 1.711 659 1HG ARG 490 2HG ARG 490 0.025 4.456 0.329 660 2HG ARG 490 1HG ARG 490 -0.345 3.492 1.761 661 1HD ARG 490 2HD ARG 490 0.950 5.218 3.088 662 2HD ARG 490 1HD ARG 490 0.940 6.210 1.634 663 HE ARG 490 HE ARG 490 -1.216 5.821 3.450 664 1HH1 ARG 490 1HH1 ARG 490 -0.473 6.370 0.083 665 2HH1 ARG 490 2HH1 ARG 490 -1.999 7.110 -0.262 666 1HH2 ARG 490 1HH2 ARG 490 -3.226 6.794 2.995 667 2HH2 ARG 490 2HH2 ARG 490 -3.564 7.348 1.390 668 H TRP 491 H TRP 491 4.568 3.249 0.595 669 HA TRP 491 HA TRP 491 5.344 5.877 -0.068 670 1HB TRP 491 2HB TRP 491 6.404 4.119 1.572 671 2HB TRP 491 1HB TRP 491 7.353 3.667 0.159 672 HD1 TRP 491 HD TRP 491 9.584 4.893 0.012 673 HE1 TRP 491 1HE TRP 491 10.520 7.142 0.840 674 HE3 TRP 491 3HE TRP 491 5.361 6.781 2.190 675 HZ2 TRP 491 2HZ TRP 491 9.594 9.414 2.234 676 HZ3 TRP 491 3HZ TRP 491 5.471 8.999 3.250 677 HH2 TRP 491 HH TRP 491 7.545 10.287 3.271 678 H ARG 492 H ARG 492 5.544 2.832 -1.802 679 HA ARG 492 HA ARG 492 7.274 3.753 -3.861 680 1HB ARG 492 2HB ARG 492 6.429 1.312 -3.110 681 2HB ARG 492 1HB ARG 492 5.343 1.586 -4.465 682 1HG ARG 492 2HG ARG 492 7.149 1.808 -5.982 683 2HG ARG 492 1HG ARG 492 8.326 1.888 -4.672 684 1HD ARG 492 2HD ARG 492 8.490 -0.332 -4.583 685 2HD ARG 492 1HD ARG 492 6.739 -0.520 -4.510 686 HE ARG 492 HE ARG 492 8.418 -0.780 -6.827 687 1HH1 ARG 492 1HH1 ARG 492 5.185 -0.114 -5.697 688 2HH1 ARG 492 2HH1 ARG 492 4.432 -0.599 -7.179 689 1HH2 ARG 492 1HH2 ARG 492 7.430 -1.417 -8.776 690 2HH2 ARG 492 2HH2 ARG 492 5.705 -1.340 -8.928 691 H THR 493 H THR 493 3.805 3.782 -3.394 692 HA THR 493 HA THR 493 3.159 4.487 -6.085 693 HB THR 493 HB THR 493 1.532 4.807 -3.556 694 HG1 THR 493 1HG THR 493 1.745 2.704 -5.434 695 1HG2 THR 493 1HG2 THR 493 0.752 6.114 -5.577 696 2HG2 THR 493 2HG2 THR 493 -0.400 4.981 -4.867 697 3HG2 THR 493 3HG2 THR 493 0.463 4.552 -6.343 698 H MET 494 H MET 494 3.953 6.259 -3.182 699 HA MET 494 HA MET 494 3.136 8.804 -4.276 700 1HB MET 494 2HB MET 494 3.454 7.872 -1.728 701 2HB MET 494 1HB MET 494 4.923 8.813 -1.939 702 1HG MET 494 2HG MET 494 3.834 10.763 -1.870 703 2HG MET 494 1HG MET 494 2.496 10.165 -2.849 704 1HE MET 494 1HE MET 494 4.103 10.207 0.710 705 2HE MET 494 2HE MET 494 2.667 10.622 1.646 706 3HE MET 494 3HE MET 494 3.242 11.711 0.383 707 H LYS 495 H LYS 495 6.052 6.916 -4.027 708 HA LYS 495 HA LYS 495 7.763 9.127 -4.787 709 1HB LYS 495 2HB LYS 495 8.239 6.917 -3.321 710 2HB LYS 495 1HB LYS 495 8.790 6.351 -4.891 711 1HG LYS 495 2HG LYS 495 10.685 7.481 -4.702 712 2HG LYS 495 1HG LYS 495 9.816 8.981 -4.378 713 1HD LYS 495 2HD LYS 495 10.079 8.802 -2.136 714 2HD LYS 495 1HD LYS 495 9.920 7.045 -2.153 715 1HE LYS 495 2HE LYS 495 12.136 6.731 -2.293 716 2HE LYS 495 1HE LYS 495 12.339 8.028 -3.470 717 1HZ LYS 495 1HZ LYS 495 12.470 8.130 -0.549 718 2HZ LYS 495 2HZ LYS 495 11.873 9.491 -1.359 719 3HZ LYS 495 3HZ LYS 495 13.427 8.918 -1.703 720 H ARG 496 H ARG 496 6.090 6.493 -6.310 721 HA ARG 496 HA ARG 496 7.623 6.561 -8.739 722 1HB ARG 496 2HB ARG 496 6.348 4.552 -7.876 723 2HB ARG 496 1HB ARG 496 4.871 5.379 -8.355 724 1HG ARG 496 2HG ARG 496 5.435 3.859 -10.087 725 2HG ARG 496 1HG ARG 496 5.786 5.484 -10.680 726 1HD ARG 496 2HD ARG 496 8.157 5.154 -10.099 727 2HD ARG 496 1HD ARG 496 7.784 3.512 -9.576 728 HE ARG 496 HE ARG 496 6.876 3.569 -12.123 729 1HH1 ARG 496 1HH1 ARG 496 9.931 4.414 -10.663 730 2HH1 ARG 496 2HH1 ARG 496 10.858 4.006 -12.068 731 1HH2 ARG 496 1HH2 ARG 496 8.093 3.031 -13.971 732 2HH2 ARG 496 2HH2 ARG 496 9.814 3.222 -13.947 733 H LEU 497 H LEU 497 4.609 7.966 -7.589 734 HA LEU 497 HA LEU 497 4.606 9.713 -9.947 735 1HB LEU 497 2HB LEU 497 2.508 7.837 -9.096 736 2HB LEU 497 1HB LEU 497 1.937 9.457 -9.440 737 HG LEU 497 HG LEU 497 3.704 8.558 -11.538 738 1HD1 LEU 497 1HD1 LEU 497 1.251 6.927 -11.608 739 2HD1 LEU 497 2HD1 LEU 497 2.502 6.397 -10.481 740 3HD1 LEU 497 3HD1 LEU 497 2.874 6.570 -12.197 741 1HD2 LEU 497 1HD2 LEU 497 0.822 8.875 -12.040 742 2HD2 LEU 497 2HD2 LEU 497 2.205 9.626 -12.834 743 3HD2 LEU 497 3HD2 LEU 497 1.622 10.259 -11.295 744 H GLY 498 H GLY 498 5.612 11.173 -8.393 745 1HA GLY 498 2HA GLY 498 3.991 13.165 -7.467 746 2HA GLY 498 1HA GLY 498 4.118 12.060 -6.105 747 H MET 499 H MET 499 6.461 11.387 -5.614 748 HA MET 499 HA MET 499 7.947 13.816 -5.186 749 1HB MET 499 2HB MET 499 8.491 10.944 -4.428 750 2HB MET 499 1HB MET 499 9.541 12.285 -3.989 751 1HG MET 499 2HG MET 499 7.152 13.194 -3.101 752 2HG MET 499 1HG MET 499 6.959 11.457 -2.872 753 1HE MET 499 1HE MET 499 8.880 14.562 -0.615 754 2HE MET 499 2HE MET 499 7.586 13.676 0.193 755 3HE MET 499 3HE MET 499 7.331 14.325 -1.425 756 H ASN 500 H ASN 500 7.746 11.793 -7.777 757 HA ASN 500 HA ASN 500 10.579 12.116 -8.493 758 1HB ASN 500 2HB ASN 500 8.755 9.944 -8.803 759 2HB ASN 500 1HB ASN 500 9.206 10.510 -10.408 760 1HD2 ASN 500 1HD2 ASN 500 11.218 10.130 -11.165 761 2HD2 ASN 500 2HD2 ASN 500 12.421 9.236 -10.308 Start of MODEL 19 1 2H5* G 1 H5' GUA 1 7.077 -14.723 10.813 2 H4* G 1 H4' GUA 1 8.969 -13.081 11.493 3 H3* G 1 H3' GUA 1 6.729 -12.606 10.108 4 H1* G 1 H1' GUA 1 10.166 -11.770 8.441 5 H8 G 1 8H GUA 1 8.373 -14.864 6.998 6 H1 G 1 1H GUA 1 14.073 -13.478 4.405 7 1H2 G 1 1H2 GUA 1 14.247 -11.021 6.834 8 2H2 G 1 2H2 GUA 1 15.013 -11.808 5.474 9 2H2* G 1 H2' GUA 1 7.868 -11.426 7.951 10 H5T G 1 H5T GUA 1 9.223 -15.411 9.085 11 2H5* T 2 H5' THY 2 9.893 -8.714 10.554 12 H4* T 2 H4' THY 2 11.572 -7.824 9.299 13 H3* T 2 H3' THY 2 9.224 -6.597 8.830 14 2H2* T 2 H2' THY 2 9.456 -6.425 6.138 15 H1* T 2 H1' THY 2 11.460 -7.694 5.850 16 H3 T 2 3H THY 2 10.849 -10.615 2.547 17 1H5M T 2 1H7 THY 2 7.790 -12.847 5.710 18 2H5M T 2 2H7 THY 2 6.838 -12.072 4.421 19 3H5M T 2 3H7 THY 2 6.847 -11.379 6.059 20 H6 T 2 6H THY 2 8.593 -9.897 6.688 21 2H5* T 3 H5' THY 3 13.222 -4.458 6.321 22 H4* T 3 H4' THY 3 14.166 -4.696 4.249 23 H3* T 3 H3' THY 3 12.138 -2.911 4.281 24 2H2* T 3 H2' THY 3 11.029 -3.638 1.925 25 H1* T 3 H1' THY 3 12.413 -5.542 1.465 26 H3 T 3 3H THY 3 9.961 -9.068 0.269 27 1H5M T 3 1H7 THY 3 7.526 -8.852 4.270 28 2H5M T 3 2H7 THY 3 6.783 -7.384 3.589 29 3H5M T 3 3H7 THY 3 7.948 -7.252 4.928 30 H6 T 3 6H THY 3 9.749 -6.078 3.978 31 2H5* A 4 H5' ADE 4 14.696 -2.717 -0.398 32 H4* A 4 H4' ADE 4 14.489 -3.956 -2.343 33 H3* A 4 H3' ADE 4 12.882 -1.778 -2.187 34 H1* A 4 H1' ADE 4 11.555 -5.173 -3.464 35 H8 A 4 8H ADE 4 10.207 -4.310 0.075 36 1H6 A 4 1H6 ADE 4 7.040 -7.984 0.409 37 2H6 A 4 2H6 ADE 4 6.645 -9.326 -0.643 38 H2 A 4 2H ADE 4 9.282 -8.964 -4.251 39 2H2* A 4 H2' ADE 4 10.712 -2.930 -3.328 40 2H5* G 5 H5' GUA 5 13.393 -3.759 -6.884 41 H4* G 5 H4' GUA 5 12.317 -5.281 -8.161 42 H3* G 5 H3' GUA 5 11.209 -2.849 -8.489 43 H1* G 5 H1' GUA 5 8.948 -5.947 -7.907 44 H8 G 5 8H GUA 5 9.285 -3.701 -4.767 45 H1 G 5 1H GUA 5 4.969 -8.434 -4.416 46 1H2 G 5 1H2 GUA 5 6.075 -9.275 -7.585 47 2H2 G 5 2H2 GUA 5 4.996 -9.631 -6.254 48 2H2* G 5 H2' GUA 5 8.622 -3.645 -8.465 49 2H5* G 6 H5' GUA 6 9.527 -6.395 -11.721 50 H4* G 6 H4' GUA 6 7.786 -7.849 -11.887 51 H3* G 6 H3' GUA 6 7.168 -5.461 -12.969 52 H1* G 6 H1' GUA 6 4.669 -7.216 -10.585 53 H8 G 6 8H GUA 6 6.528 -4.255 -8.908 54 H1 G 6 1H GUA 6 1.763 -6.894 -5.519 55 1H2 G 6 1H2 GUA 6 1.501 -9.101 -8.169 56 2H2 G 6 2H2 GUA 6 0.909 -8.598 -6.603 57 2H2* G 6 H2' GUA 6 4.657 -5.276 -11.986 58 2H5* G 7 H5' GUA 7 3.625 -9.083 -14.234 59 H4* G 7 H4' GUA 7 1.686 -9.883 -13.253 60 H3* G 7 H3' GUA 7 1.315 -7.933 -15.061 61 H1* G 7 H1' GUA 7 -0.479 -7.701 -11.612 62 H8 G 7 8H GUA 7 2.675 -5.455 -11.868 63 H1 G 7 1H GUA 7 -1.101 -4.482 -6.774 64 1H2 G 7 1H2 GUA 7 -3.001 -7.072 -8.063 65 2H2 G 7 2H2 GUA 7 -2.788 -5.886 -6.795 66 2H2* G 7 H2' GUA 7 -0.530 -6.515 -13.677 67 2H5* T 8 H5' THY 8 -2.801 -10.040 -13.227 68 H4* T 8 H4' THY 8 -4.423 -9.692 -11.675 69 H3* T 8 H3' THY 8 -5.108 -8.629 -14.059 70 2H2* T 8 H2' THY 8 -6.187 -6.339 -13.085 71 H1* T 8 H1' THY 8 -5.580 -6.585 -10.792 72 H3 T 8 3H THY 8 -3.889 -2.691 -9.457 73 1H5M T 8 1H7 THY 8 -0.029 -4.362 -12.339 74 2H5M T 8 2H7 THY 8 -1.058 -3.978 -13.741 75 3H5M T 8 3H7 THY 8 -0.577 -2.690 -12.613 76 H6 T 8 6H THY 8 -2.533 -5.838 -12.774 77 2H5* T 9 H5' THY 9 -8.698 -8.799 -10.534 78 H4* T 9 H4' THY 9 -9.618 -7.444 -9.001 79 H3* T 9 H3' THY 9 -10.833 -6.978 -11.362 80 2H2* T 9 H2' THY 9 -10.908 -4.280 -11.173 81 H1* T 9 H1' THY 9 -9.627 -4.021 -9.167 82 H3 T 9 3H THY 9 -6.494 -0.894 -9.704 83 1H5M T 9 1H7 THY 9 -4.542 -3.463 -13.171 84 2H5M T 9 2H7 THY 9 -5.909 -4.468 -13.713 85 3H5M T 9 3H7 THY 9 -5.856 -2.737 -14.126 86 H6 T 9 6H THY 9 -7.605 -4.827 -12.164 87 2H5* A 10 H5' ADE 10 -13.316 -4.686 -7.361 88 H4* A 10 H4' ADE 10 -12.903 -2.655 -6.316 89 H3* A 10 H3' ADE 10 -14.880 -2.639 -8.163 90 H1* A 10 H1' ADE 10 -12.254 0.180 -8.032 91 H8 A 10 8H ADE 10 -11.704 -2.168 -11.076 92 1H6 A 10 1H6 ADE 10 -8.234 0.465 -13.231 93 2H6 A 10 2H6 ADE 10 -7.401 1.940 -12.791 94 H2 A 10 2H ADE 10 -9.074 3.245 -8.841 95 2H2* A 10 H2' ADE 10 -14.280 -0.236 -9.248 96 2H5* G 11 H5' GUA 11 -15.546 1.740 -4.983 97 H4* G 11 H4' GUA 11 -13.992 3.549 -4.978 98 H3* G 11 H3' GUA 11 -16.412 3.849 -6.154 99 H1* G 11 H1' GUA 11 -13.187 5.073 -7.880 100 H8 G 11 8H GUA 11 -14.433 1.726 -9.406 101 H1 G 11 1H GUA 11 -9.943 4.871 -12.736 102 1H2 G 11 1H2 GUA 11 -10.080 7.182 -10.162 103 2H2 G 11 2H2 GUA 11 -9.364 6.712 -11.689 104 2H2* G 11 H2' GUA 11 -15.544 5.241 -8.304 105 2H5* G 12 H5' GUA 12 -14.326 8.558 -4.926 106 H4* G 12 H4' GUA 12 -12.604 9.716 -6.011 107 H3* G 12 H3' GUA 12 -15.104 10.597 -6.433 108 H1* G 12 H1' GUA 12 -12.735 10.081 -9.468 109 H8 G 12 8H GUA 12 -15.147 7.083 -8.953 110 H1 G 12 1H GUA 12 -12.163 7.388 -14.621 111 1H2 G 12 1H2 GUA 12 -10.695 10.254 -13.357 112 2H2 G 12 2H2 GUA 12 -10.846 9.142 -14.700 113 2H2* G 12 H2' GUA 12 -14.919 10.982 -9.101 114 2H5* G 13 H5' GUA 13 -11.689 14.117 -8.433 115 H4* G 13 H4' GUA 13 -10.563 14.287 -10.510 116 H3* G 13 H3' GUA 13 -12.777 15.756 -10.120 117 H1* G 13 H1' GUA 13 -12.391 13.710 -13.406 118 H8 G 13 8H GUA 13 -14.667 11.968 -10.787 119 H1 G 13 1H GUA 13 -14.848 9.585 -16.739 120 1H2 G 13 1H2 GUA 13 -12.499 12.021 -17.465 121 2H2 G 13 2H2 GUA 13 -13.472 10.688 -18.046 122 H3T G 13 H3T GUA 13 -11.420 15.621 -12.610 123 2H2* G 13 H2' GUA 13 -13.915 15.329 -12.537 124 2H5* C 14 H5' CYT 14 -14.632 6.209 -25.037 125 H4* C 14 H4' CYT 14 -13.357 8.304 -24.446 126 H3* C 14 H3' CYT 14 -12.606 5.765 -23.969 127 H1* C 14 H1' CYT 14 -12.597 8.355 -21.079 128 1H4 C 14 1H4 CYT 14 -17.527 6.499 -17.058 129 2H4 C 14 2H4 CYT 14 -16.717 7.857 -16.309 130 H5 C 14 5H CYT 14 -16.888 5.616 -19.220 131 H6 C 14 6H CYT 14 -15.347 5.858 -21.098 132 2H2* C 14 H2' CYT 14 -11.881 6.092 -21.383 133 H5T C 14 H5T CYT 14 -15.081 5.684 -22.790 134 2H5* C 15 H5' CYT 15 -8.645 9.061 -22.926 135 H4* C 15 H4' CYT 15 -8.078 10.270 -21.047 136 H3* C 15 H3' CYT 15 -6.868 7.874 -21.222 137 H1* C 15 H1' CYT 15 -8.519 8.954 -17.868 138 1H4 C 15 1H4 CYT 15 -13.857 5.066 -17.277 139 2H4 C 15 2H4 CYT 15 -13.602 5.858 -15.738 140 H5 C 15 5H CYT 15 -12.436 5.442 -19.202 141 H6 C 15 6H CYT 15 -10.487 6.650 -20.036 142 2H2* C 15 H2' CYT 15 -7.143 7.161 -18.624 143 2H5* C 16 H5' CYT 16 -5.289 10.952 -17.618 144 H4* C 16 H4' CYT 16 -5.643 11.206 -15.408 145 H3* C 16 H3' CYT 16 -3.528 9.596 -15.770 146 H1* C 16 H1' CYT 16 -6.333 8.512 -13.288 147 1H4 C 16 1H4 CYT 16 -9.435 3.524 -16.364 148 2H4 C 16 2H4 CYT 16 -9.931 3.506 -14.687 149 H5 C 16 5H CYT 16 -7.882 5.153 -17.261 150 H6 C 16 6H CYT 16 -6.495 7.089 -16.729 151 2H2* C 16 H2' CYT 16 -4.169 7.742 -13.900 152 2H5* T 17 H5' THY 17 -4.012 11.441 -10.868 153 H4* T 17 H4' THY 17 -5.400 10.588 -9.265 154 H3* T 17 H3' THY 17 -2.853 9.659 -9.065 155 2H2* T 17 H2' THY 17 -3.551 7.137 -8.340 156 H1* T 17 H1' THY 17 -5.916 7.336 -8.672 157 H3 T 17 3H THY 17 -7.313 3.735 -10.891 158 1H5M T 17 1H7 THY 17 -4.800 5.507 -14.680 159 2H5M T 17 2H7 THY 17 -3.327 5.939 -13.780 160 3H5M T 17 3H7 THY 17 -3.789 4.231 -13.962 161 H6 T 17 6H THY 17 -4.075 7.095 -11.884 162 2H5* A 18 H5' ADE 18 -5.630 8.487 -5.025 163 H4* A 18 H4' ADE 18 -6.437 6.739 -3.884 164 H3* A 18 H3' ADE 18 -3.782 6.693 -3.589 165 H1* A 18 H1' ADE 18 -5.552 3.395 -4.796 166 H8 A 18 8H ADE 18 -3.573 5.326 -7.500 167 1H6 A 18 1H6 ADE 18 -4.288 2.181 -11.135 168 2H6 A 18 2H6 ADE 18 -5.222 0.708 -11.280 169 H2 A 18 2H ADE 18 -7.216 0.044 -7.320 170 2H2* A 18 H2' ADE 18 -3.407 4.043 -4.070 171 2H5* A 19 H5' ADE 19 -6.577 3.406 -1.648 172 H4* A 19 H4' ADE 19 -7.396 1.326 -1.431 173 H3* A 19 H3' ADE 19 -5.035 1.373 -0.222 174 H1* A 19 H1' ADE 19 -5.487 -1.390 -3.065 175 H8 A 19 8H ADE 19 -3.325 1.713 -3.809 176 1H6 A 19 1H6 ADE 19 -2.170 0.587 -8.394 177 2H6 A 19 2H6 ADE 19 -2.663 -0.699 -9.474 178 H2 A 19 2H ADE 19 -5.575 -3.248 -7.205 179 2H2* A 19 H2' ADE 19 -3.995 -0.895 -1.339 180 2H5* C 20 H5' CYT 20 -7.303 -3.242 -0.124 181 H4* C 20 H4' CYT 20 -7.246 -5.040 -1.547 182 H3* C 20 H3' CYT 20 -5.465 -5.227 0.467 183 H1* C 20 H1' CYT 20 -4.381 -6.022 -3.170 184 1H4 C 20 1H4 CYT 20 -0.293 -1.100 -4.904 185 2H4 C 20 2H4 CYT 20 -0.237 -2.308 -6.171 186 H5 C 20 5H CYT 20 -1.700 -1.313 -2.944 187 H6 C 20 6H CYT 20 -3.336 -2.721 -1.809 188 2H2* C 20 H2' CYT 20 -3.402 -6.196 -0.995 189 2H5* C 21 H5' CYT 21 -6.226 -9.911 -1.862 190 H4* C 21 H4' CYT 21 -5.315 -10.742 -3.811 191 H3* C 21 H3' CYT 21 -4.043 -11.525 -1.571 192 H1* C 21 H1' CYT 21 -2.005 -10.247 -4.615 193 1H4 C 21 1H4 CYT 21 0.501 -4.408 -2.726 194 2H4 C 21 2H4 CYT 21 1.238 -4.835 -4.255 195 H5 C 21 5H CYT 21 -1.164 -5.792 -1.637 196 H6 C 21 6H CYT 21 -2.451 -7.860 -1.794 197 2H2* C 21 H2' CYT 21 -1.515 -11.253 -2.501 198 2H5* C 22 H5' CYT 22 -2.139 -14.025 -5.652 199 H4* C 22 H4' CYT 22 -0.252 -14.079 -6.939 200 H3* C 22 H3' CYT 22 0.081 -15.349 -4.596 201 H1* C 22 H1' CYT 22 2.780 -12.825 -5.799 202 1H4 C 22 1H4 CYT 22 2.186 -7.613 -1.742 203 2H4 C 22 2H4 CYT 22 3.652 -7.397 -2.673 204 H5 C 22 5H CYT 22 0.715 -9.517 -2.024 205 H6 C 22 6H CYT 22 0.357 -11.596 -3.251 206 2H2* C 22 H2' CYT 22 2.542 -14.389 -4.012 207 2H5* T 23 H5' THY 23 3.834 -15.800 -7.876 208 H4* T 23 H4' THY 23 5.875 -14.949 -8.287 209 H3* T 23 H3' THY 23 6.126 -16.942 -6.494 210 2H2* T 23 H2' THY 23 7.889 -15.706 -4.853 211 H1* T 23 H1' THY 23 7.905 -13.547 -5.881 212 H3 T 23 3H THY 23 7.445 -10.416 -2.748 213 1H5M T 23 1H7 THY 23 2.829 -12.619 -2.501 214 2H5M T 23 2H7 THY 23 3.681 -12.301 -0.970 215 3H5M T 23 3H7 THY 23 3.669 -13.941 -1.658 216 H6 T 23 6H THY 23 4.770 -14.164 -3.996 217 2H5* A 24 H5' ADE 24 10.708 -15.387 -8.404 218 H4* A 24 H4' ADE 24 12.228 -13.807 -7.797 219 H3* A 24 H3' ADE 24 12.712 -16.149 -6.567 220 H1* A 24 H1' ADE 24 12.724 -12.857 -4.510 221 H8 A 24 8H ADE 24 9.562 -15.021 -3.895 222 1H6 A 24 1H6 ADE 24 7.699 -12.337 -0.295 223 2H6 A 24 2H6 ADE 24 8.189 -10.836 0.458 224 H2 A 24 2H ADE 24 11.942 -9.514 -1.608 225 2H2* A 24 H2' ADE 24 13.256 -15.154 -4.112 226 2H5* A 25 H5' ADE 25 16.804 -12.870 -6.166 227 H4* A 25 H4' ADE 25 17.199 -11.154 -4.687 228 H3* A 25 H3' ADE 25 18.327 -13.488 -3.957 229 H1* A 25 H1' ADE 25 16.371 -11.382 -1.357 230 H8 A 25 8H ADE 25 14.357 -14.469 -2.593 231 1H6 A 25 1H6 ADE 25 10.755 -14.156 0.658 232 2H6 A 25 2H6 ADE 25 10.394 -13.022 1.941 233 H2 A 25 2H ADE 25 13.661 -9.952 1.915 234 2H2* A 25 H2' ADE 25 17.734 -13.347 -1.323 235 2H5* C 26 H5' CYT 26 19.996 -9.516 -1.069 236 H4* C 26 H4' CYT 26 19.240 -8.502 0.888 237 H3* C 26 H3' CYT 26 21.232 -10.270 1.179 238 H1* C 26 H1' CYT 26 18.132 -10.522 3.524 239 1H4 C 26 1H4 CYT 26 14.901 -15.931 1.458 240 2H4 C 26 2H4 CYT 26 14.247 -15.481 3.017 241 H5 C 26 5H CYT 26 16.672 -14.685 0.367 242 H6 C 26 6H CYT 26 18.168 -12.769 0.555 243 H3T C 26 H3T CYT 26 21.599 -8.949 2.743 244 2H2* C 26 H2' CYT 26 20.268 -11.558 3.355 245 1H GLU 438 H GLU 438 -32.578 -8.835 -11.772 246 HA GLU 438 HA GLU 438 -30.419 -8.971 -12.470 247 1HB GLU 438 2HB GLU 438 -31.691 -7.055 -14.187 248 2HB GLU 438 1HB GLU 438 -30.022 -6.568 -13.914 249 1HG GLU 438 2HG GLU 438 -29.813 -9.266 -14.402 250 2HG GLU 438 1HG GLU 438 -31.099 -8.755 -15.495 251 H ASP 439 H ASP 439 -28.420 -7.129 -12.864 252 HA ASP 439 HA ASP 439 -26.896 -5.829 -11.788 253 1HB ASP 439 2HB ASP 439 -29.456 -4.704 -11.055 254 2HB ASP 439 1HB ASP 439 -28.313 -4.540 -9.726 255 H SER 440 H SER 440 -27.411 -8.515 -10.927 256 HA SER 440 HA SER 440 -26.125 -8.380 -8.333 257 1HB SER 440 2HB SER 440 -28.924 -9.287 -8.701 258 2HB SER 440 1HB SER 440 -27.905 -10.302 -7.682 259 HG SER 440 HG SER 440 -29.052 -7.958 -7.097 260 H THR 441 H THR 441 -24.701 -10.001 -8.045 261 HA THR 441 HA THR 441 -24.921 -12.595 -9.090 262 HB THR 441 HB THR 441 -24.595 -11.763 -11.275 263 HG1 THR 441 1HG THR 441 -21.981 -12.423 -10.407 264 1HG2 THR 441 1HG2 THR 441 -22.174 -10.210 -10.422 265 2HG2 THR 441 2HG2 THR 441 -23.782 -9.493 -10.540 266 3HG2 THR 441 3HG2 THR 441 -23.011 -10.174 -11.973 267 H THR 442 H THR 442 -22.512 -10.054 -8.459 268 HA THR 442 HA THR 442 -21.186 -11.909 -6.596 269 HB THR 442 HB THR 442 -19.104 -10.375 -7.359 270 HG1 THR 442 1HG THR 442 -19.230 -10.170 -9.639 271 1HG2 THR 442 1HG2 THR 442 -18.215 -12.222 -8.290 272 2HG2 THR 442 2HG2 THR 442 -19.656 -12.573 -9.245 273 3HG2 THR 442 3HG2 THR 442 -19.611 -12.984 -7.530 274 H ASN 443 H ASN 443 -23.175 -9.803 -6.149 275 HA ASN 443 HA ASN 443 -23.606 -8.116 -4.681 276 1HB ASN 443 2HB ASN 443 -21.716 -9.780 -3.458 277 2HB ASN 443 1HB ASN 443 -21.119 -8.144 -3.189 278 1HD2 ASN 443 1HD2 ASN 443 -21.719 -9.286 -0.958 279 2HD2 ASN 443 2HD2 ASN 443 -23.259 -8.811 -0.338 280 H ILE 444 H ILE 444 -22.258 -6.131 -3.518 281 HA ILE 444 HA ILE 444 -20.630 -4.896 -5.638 282 HB ILE 444 HB ILE 444 -21.739 -2.693 -4.922 283 1HG1 ILE 444 2HG1 ILE 444 -23.946 -4.574 -4.071 284 2HG1 ILE 444 1HG1 ILE 444 -22.884 -3.751 -2.935 285 1HG2 ILE 444 1HG2 ILE 444 -23.615 -3.046 -6.503 286 2HG2 ILE 444 2HG2 ILE 444 -23.260 -4.773 -6.484 287 3HG2 ILE 444 3HG2 ILE 444 -22.066 -3.636 -7.109 288 1HD1 ILE 444 1HD1 ILE 444 -23.692 -1.618 -4.229 289 2HD1 ILE 444 2HD1 ILE 444 -24.667 -2.336 -2.948 290 3HD1 ILE 444 3HD1 ILE 444 -25.056 -2.659 -4.636 291 H THR 445 H THR 445 -18.669 -4.852 -4.717 292 HA THR 445 HA THR 445 -18.371 -4.177 -1.903 293 HB THR 445 HB THR 445 -15.823 -4.410 -2.889 294 HG1 THR 445 1HG THR 445 -15.918 -6.210 -4.305 295 1HG2 THR 445 1HG2 THR 445 -15.729 -6.088 -1.454 296 2HG2 THR 445 2HG2 THR 445 -16.885 -7.035 -2.386 297 3HG2 THR 445 3HG2 THR 445 -17.459 -5.872 -1.193 298 H LYS 446 H LYS 446 -16.347 -2.691 -1.471 299 HA LYS 446 HA LYS 446 -16.596 -0.312 -3.173 300 1HB LYS 446 2HB LYS 446 -17.281 -0.630 -0.451 301 2HB LYS 446 1HB LYS 446 -15.808 0.322 -0.468 302 1HG LYS 446 2HG LYS 446 -17.104 2.092 -0.822 303 2HG LYS 446 1HG LYS 446 -17.357 1.468 -2.454 304 1HD LYS 446 2HD LYS 446 -19.351 0.325 -1.773 305 2HD LYS 446 1HD LYS 446 -19.053 0.712 -0.078 306 1HE LYS 446 2HE LYS 446 -19.036 3.179 -1.315 307 2HE LYS 446 1HE LYS 446 -20.307 2.303 -2.167 308 1HZ LYS 446 1HZ LYS 446 -21.376 1.837 -0.074 309 2HZ LYS 446 2HZ LYS 446 -21.137 3.506 -0.220 310 3HZ LYS 446 3HZ LYS 446 -20.127 2.593 0.783 311 H LYS 447 H LYS 447 -14.550 1.019 -1.488 312 HA LYS 447 HA LYS 447 -12.159 -0.576 -1.920 313 1HB LYS 447 2HB LYS 447 -12.405 0.485 -4.071 314 2HB LYS 447 1HB LYS 447 -12.669 2.053 -3.322 315 1HG LYS 447 2HG LYS 447 -10.491 2.472 -3.285 316 2HG LYS 447 1HG LYS 447 -10.153 0.947 -2.464 317 1HD LYS 447 2HD LYS 447 -10.721 1.022 -5.408 318 2HD LYS 447 1HD LYS 447 -9.107 1.379 -4.791 319 1HE LYS 447 2HE LYS 447 -8.841 -0.775 -3.912 320 2HE LYS 447 1HE LYS 447 -10.569 -1.117 -3.988 321 1HZ LYS 447 1HZ LYS 447 -9.949 -0.641 -6.571 322 2HZ LYS 447 2HZ LYS 447 -10.050 -2.176 -5.866 323 3HZ LYS 447 3HZ LYS 447 -8.547 -1.413 -6.017 324 H GLN 448 H GLN 448 -11.329 -0.492 0.070 325 HA GLN 448 HA GLN 448 -11.548 1.856 1.728 326 1HB GLN 448 2HB GLN 448 -10.195 -0.816 2.098 327 2HB GLN 448 1HB GLN 448 -10.097 0.471 3.293 328 1HG GLN 448 2HG GLN 448 -12.804 0.248 2.772 329 2HG GLN 448 1HG GLN 448 -12.224 -1.417 2.766 330 1HE2 GLN 448 1HE2 GLN 448 -12.692 1.455 4.650 331 2HE2 GLN 448 2HE2 GLN 448 -12.403 0.740 6.195 332 H LYS 449 H LYS 449 -10.438 3.371 0.400 333 HA LYS 449 HA LYS 449 -7.713 2.963 -0.332 334 1HB LYS 449 2HB LYS 449 -7.823 5.439 -0.889 335 2HB LYS 449 1HB LYS 449 -8.947 4.392 -1.744 336 1HG LYS 449 2HG LYS 449 -10.739 5.393 -0.860 337 2HG LYS 449 1HG LYS 449 -10.013 5.497 0.745 338 1HD LYS 449 2HD LYS 449 -8.535 7.344 -0.339 339 2HD LYS 449 1HD LYS 449 -9.810 7.398 -1.557 340 1HE LYS 449 2HE LYS 449 -10.617 7.466 1.299 341 2HE LYS 449 1HE LYS 449 -9.868 8.912 0.625 342 1HZ LYS 449 1HZ LYS 449 -12.452 7.699 0.013 343 2HZ LYS 449 2HZ LYS 449 -11.622 8.422 -1.271 344 3HZ LYS 449 3HZ LYS 449 -12.016 9.334 0.099 345 H TRP 450 H TRP 450 -7.261 2.347 2.043 346 HA TRP 450 HA TRP 450 -6.277 2.791 4.055 347 1HB TRP 450 2HB TRP 450 -5.034 4.469 1.985 348 2HB TRP 450 1HB TRP 450 -4.643 4.918 3.641 349 HD1 TRP 450 HD TRP 450 -4.952 1.419 1.979 350 HE1 TRP 450 1HE TRP 450 -2.788 0.123 2.459 351 HE3 TRP 450 3HE TRP 450 -2.394 5.030 4.541 352 HZ2 TRP 450 2HZ TRP 450 -0.315 0.568 3.751 353 HZ3 TRP 450 3HZ TRP 450 -0.137 4.514 5.361 354 HH2 TRP 450 HH TRP 450 0.883 2.331 4.976 355 H THR 451 H THR 451 -5.650 4.655 5.651 356 HA THR 451 HA THR 451 -7.963 6.468 5.834 357 HB THR 451 HB THR 451 -6.437 5.993 8.298 358 HG1 THR 451 1HG THR 451 -7.783 3.864 7.007 359 1HG2 THR 451 1HG2 THR 451 -9.047 5.183 8.683 360 2HG2 THR 451 2HG2 THR 451 -9.169 6.491 7.507 361 3HG2 THR 451 3HG2 THR 451 -8.368 6.768 9.052 362 H VAL 452 H VAL 452 -7.390 8.417 7.345 363 HA VAL 452 HA VAL 452 -5.192 9.781 6.066 364 HB VAL 452 HB VAL 452 -5.932 11.767 7.259 365 1HG1 VAL 452 1HG1 VAL 452 -7.118 11.595 5.303 366 2HG1 VAL 452 2HG1 VAL 452 -8.429 11.637 6.481 367 3HG1 VAL 452 3HG1 VAL 452 -7.914 10.099 5.789 368 1HG2 VAL 452 1HG2 VAL 452 -8.317 10.545 8.448 369 2HG2 VAL 452 2HG2 VAL 452 -7.238 11.782 9.086 370 3HG2 VAL 452 3HG2 VAL 452 -6.801 10.081 9.219 371 H GLU 453 H GLU 453 -5.655 8.063 8.999 372 HA GLU 453 HA GLU 453 -3.541 9.421 10.433 373 1HB GLU 453 2HB GLU 453 -5.241 7.008 11.030 374 2HB GLU 453 1HB GLU 453 -3.918 7.504 12.078 375 1HG GLU 453 2HG GLU 453 -5.164 9.055 13.046 376 2HG GLU 453 1HG GLU 453 -5.634 9.734 11.488 377 H GLU 454 H GLU 454 -4.021 6.292 8.847 378 HA GLU 454 HA GLU 454 -1.604 5.087 9.494 379 1HB GLU 454 2HB GLU 454 -3.435 4.829 7.127 380 2HB GLU 454 1HB GLU 454 -1.944 3.899 7.224 381 1HG GLU 454 2HG GLU 454 -2.675 2.807 9.217 382 2HG GLU 454 1HG GLU 454 -4.089 3.854 9.329 383 H SER 455 H SER 455 -2.366 7.375 6.933 384 HA SER 455 HA SER 455 0.180 7.173 5.648 385 1HB SER 455 2HB SER 455 -2.088 8.058 4.689 386 2HB SER 455 1HB SER 455 -1.572 9.596 5.383 387 HG SER 455 HG SER 455 -0.455 9.789 3.621 388 H GLU 456 H GLU 456 -1.077 9.028 8.295 389 HA GLU 456 HA GLU 456 0.936 11.052 8.273 390 1HB GLU 456 2HB GLU 456 -1.279 11.332 9.364 391 2HB GLU 456 1HB GLU 456 -0.804 10.148 10.574 392 1HG GLU 456 2HG GLU 456 1.003 11.598 11.306 393 2HG GLU 456 1HG GLU 456 0.568 12.779 10.073 394 H TRP 457 H TRP 457 0.572 7.931 9.850 395 HA TRP 457 HA TRP 457 2.804 8.189 11.586 396 1HB TRP 457 2HB TRP 457 1.633 5.612 10.539 397 2HB TRP 457 1HB TRP 457 2.516 5.855 12.042 398 HD1 TRP 457 HD TRP 457 0.766 8.574 12.775 399 HE1 TRP 457 1HE TRP 457 -1.587 8.209 13.757 400 HE3 TRP 457 3HE TRP 457 -0.033 3.774 11.204 401 HZ2 TRP 457 2HZ TRP 457 -3.524 6.156 13.851 402 HZ3 TRP 457 3HZ TRP 457 -2.163 2.685 11.779 403 HH2 TRP 457 HH TRP 457 -3.870 3.851 13.076 404 H VAL 458 H VAL 458 2.401 7.004 8.303 405 HA VAL 458 HA VAL 458 4.937 5.775 8.050 406 HB VAL 458 HB VAL 458 3.233 6.989 5.867 407 1HG1 VAL 458 1HG1 VAL 458 4.758 6.318 4.394 408 2HG1 VAL 458 2HG1 VAL 458 4.806 4.701 5.099 409 3HG1 VAL 458 3HG1 VAL 458 5.839 5.977 5.745 410 1HG2 VAL 458 1HG2 VAL 458 2.919 4.281 5.707 411 2HG2 VAL 458 2HG2 VAL 458 1.787 5.392 6.477 412 3HG2 VAL 458 3HG2 VAL 458 2.986 4.539 7.450 413 H LYS 459 H LYS 459 3.787 8.992 7.037 414 HA LYS 459 HA LYS 459 6.140 9.948 5.934 415 1HB LYS 459 2HB LYS 459 3.937 11.110 5.845 416 2HB LYS 459 1HB LYS 459 4.153 11.580 7.527 417 1HG LYS 459 2HG LYS 459 6.475 12.455 6.385 418 2HG LYS 459 1HG LYS 459 5.299 12.711 5.094 419 1HD LYS 459 2HD LYS 459 4.158 14.298 6.261 420 2HD LYS 459 1HD LYS 459 4.511 13.555 7.824 421 1HE LYS 459 2HE LYS 459 5.839 15.399 7.985 422 2HE LYS 459 1HE LYS 459 6.974 14.298 7.207 423 1HZ LYS 459 1HZ LYS 459 6.728 15.343 5.178 424 2HZ LYS 459 2HZ LYS 459 6.668 16.648 6.252 425 3HZ LYS 459 3HZ LYS 459 5.240 16.041 5.581 426 H ALA 460 H ALA 460 5.151 9.859 9.318 427 HA ALA 460 HA ALA 460 7.524 11.265 10.193 428 1HB ALA 460 1HB ALA 460 5.488 9.835 11.892 429 2HB ALA 460 2HB ALA 460 5.317 11.498 11.331 430 3HB ALA 460 3HB ALA 460 6.644 11.063 12.407 431 H GLY 461 H GLY 461 6.446 7.968 9.842 432 1HA GLY 461 2HA GLY 461 8.290 6.722 11.574 433 2HA GLY 461 1HA GLY 461 7.492 5.958 10.209 434 H VAL 462 H VAL 462 8.503 7.511 8.123 435 HA VAL 462 HA VAL 462 11.151 6.380 7.908 436 HB VAL 462 HB VAL 462 9.724 8.117 5.896 437 1HG1 VAL 462 1HG1 VAL 462 11.551 5.994 5.020 438 2HG1 VAL 462 2HG1 VAL 462 12.316 7.314 5.908 439 3HG1 VAL 462 3HG1 VAL 462 11.380 7.655 4.451 440 1HG2 VAL 462 1HG2 VAL 462 9.069 5.478 6.801 441 2HG2 VAL 462 2HG2 VAL 462 9.602 5.415 5.123 442 3HG2 VAL 462 3HG2 VAL 462 8.267 6.469 5.583 443 H GLN 463 H GLU 463 9.724 9.522 8.408 444 HA GLN 463 HA GLU 463 12.026 11.061 7.762 445 1HB GLN 463 2HB GLU 463 9.696 11.961 7.858 446 2HB GLN 463 1HB GLU 463 9.759 11.820 9.612 447 1HG GLN 463 2HG GLU 463 10.416 13.951 9.515 448 2HG GLN 463 1HG GLU 463 11.994 13.257 9.153 449 H LYS 464 H LYS 464 11.165 9.179 10.507 450 HA LYS 464 HA LYS 464 13.270 10.478 12.102 451 1HB LYS 464 2HB LYS 464 10.752 9.050 12.822 452 2HB LYS 464 1HB LYS 464 12.106 8.963 13.939 453 1HG LYS 464 2HG LYS 464 12.010 11.632 13.391 454 2HG LYS 464 1HG LYS 464 10.303 11.184 13.331 455 1HD LYS 464 2HD LYS 464 10.833 9.941 15.558 456 2HD LYS 464 1HD LYS 464 12.234 11.011 15.612 457 1HE LYS 464 2HE LYS 464 9.975 12.586 14.949 458 2HE LYS 464 1HE LYS 464 9.527 11.566 16.316 459 1HZ LYS 464 1HZ LYS 464 11.930 12.405 17.089 460 2HZ LYS 464 2HZ LYS 464 10.494 13.214 17.474 461 3HZ LYS 464 3HZ LYS 464 11.441 13.743 16.177 462 H TYR 465 H TYR 465 11.945 7.260 11.332 463 HA TYR 465 HA TYR 465 14.393 5.996 12.253 464 1HB TYR 465 2HB TYR 465 11.853 4.825 11.105 465 2HB TYR 465 1HB TYR 465 13.210 3.877 11.707 466 HD1 TYR 465 1HD TYR 465 10.190 5.607 12.567 467 HD2 TYR 465 2HD TYR 465 13.846 4.119 14.157 468 HE1 TYR 465 1HE TYR 465 9.232 5.688 14.830 469 HE2 TYR 465 2HE TYR 465 12.896 4.194 16.425 470 HH TYR 465 HH TYR 465 10.163 4.116 17.281 471 H GLY 466 H GLY 466 12.617 6.445 9.219 472 1HA GLY 466 2HA GLY 466 14.059 6.908 7.254 473 2HA GLY 466 1HA GLY 466 15.053 5.563 7.793 474 H GLU 467 H GLU 467 14.438 5.231 5.340 475 HA GLU 467 HA GLU 467 11.871 3.895 5.032 476 1HB GLU 467 2HB GLU 467 13.290 5.425 3.319 477 2HB GLU 467 1HB GLU 467 13.847 3.832 2.829 478 1HG GLU 467 2HG GLU 467 11.204 3.382 2.918 479 2HG GLU 467 1HG GLU 467 11.209 5.100 2.517 480 H GLY 468 H GLY 468 11.618 1.720 4.470 481 1HA GLY 468 2HA GLY 468 12.347 -0.480 4.057 482 2HA GLY 468 1HA GLY 468 13.982 0.006 4.480 483 H ASN 469 H ASN 469 12.671 1.338 6.954 484 HA ASN 469 HA ASN 469 12.723 -1.112 8.569 485 1HB ASN 469 2HB ASN 469 13.707 1.616 8.969 486 2HB ASN 469 1HB ASN 469 12.801 1.004 10.350 487 1HD2 ASN 469 1HD2 ASN 469 15.726 0.926 8.635 488 2HD2 ASN 469 2HD2 ASN 469 16.523 -0.284 9.576 489 H TRP 470 H TRP 470 10.448 -1.338 7.647 490 HA TRP 470 HA TRP 470 8.433 0.345 8.856 491 1HB TRP 470 2HB TRP 470 7.870 -2.249 7.445 492 2HB TRP 470 1HB TRP 470 6.868 -0.804 7.540 493 HD1 TRP 470 HD TRP 470 9.115 -2.560 5.236 494 HE1 TRP 470 1HE TRP 470 9.782 -1.048 3.265 495 HE3 TRP 470 3HE TRP 470 7.554 1.939 7.101 496 HZ2 TRP 470 2HZ TRP 470 9.667 1.690 2.589 497 HZ3 TRP 470 3HZ TRP 470 7.871 3.955 5.728 498 HH2 TRP 470 HH TRP 470 8.906 3.832 3.519 499 H ALA 471 H ALA 471 9.827 -2.824 9.348 500 HA ALA 471 HA ALA 471 8.046 -4.107 10.961 501 1HB ALA 471 1HB ALA 471 10.126 -5.145 10.339 502 2HB ALA 471 2HB ALA 471 9.988 -5.153 12.096 503 3HB ALA 471 3HB ALA 471 11.041 -3.983 11.300 504 H ALA 472 H ALA 472 10.382 -1.644 12.015 505 HA ALA 472 HA ALA 472 9.523 -1.703 14.742 506 1HB ALA 472 1HB ALA 472 10.968 0.206 15.064 507 2HB ALA 472 2HB ALA 472 11.091 0.451 13.322 508 3HB ALA 472 3HB ALA 472 11.792 -0.990 14.063 509 H ILE 473 H ILE 473 8.807 0.338 11.947 510 HA ILE 473 HA ILE 473 7.334 2.324 13.261 511 HB ILE 473 HB ILE 473 6.920 1.288 10.453 512 1HG1 ILE 473 2HG1 ILE 473 8.565 3.665 11.321 513 2HG1 ILE 473 1HG1 ILE 473 9.260 2.065 11.084 514 1HG2 ILE 473 1HG2 ILE 473 5.802 3.562 11.975 515 2HG2 ILE 473 2HG2 ILE 473 5.104 2.628 10.653 516 3HG2 ILE 473 3HG2 ILE 473 6.291 3.887 10.312 517 1HD1 ILE 473 1HD1 ILE 473 7.653 3.147 8.860 518 2HD1 ILE 473 2HD1 ILE 473 9.140 2.199 8.836 519 3HD1 ILE 473 3HD1 ILE 473 9.202 3.927 9.184 520 H SER 474 H SER 474 6.388 -0.833 12.012 521 HA SER 474 HA SER 474 3.598 -0.426 12.620 522 1HB SER 474 2HB SER 474 5.184 -2.797 11.638 523 2HB SER 474 1HB SER 474 3.473 -2.916 12.042 524 HG SER 474 HG SER 474 3.442 -2.409 9.941 525 H LYS 475 H LYS 475 6.364 -1.413 14.343 526 HA LYS 475 HA LYS 475 4.883 -2.999 16.277 527 1HB LYS 475 2HB LYS 475 7.354 -3.326 15.410 528 2HB LYS 475 1HB LYS 475 7.724 -2.181 16.689 529 1HG LYS 475 2HG LYS 475 6.614 -3.675 18.306 530 2HG LYS 475 1HG LYS 475 6.349 -4.840 17.006 531 1HD LYS 475 2HD LYS 475 8.490 -5.538 17.032 532 2HD LYS 475 1HD LYS 475 9.120 -3.907 17.265 533 1HE LYS 475 2HE LYS 475 9.037 -4.049 19.544 534 2HE LYS 475 1HE LYS 475 7.681 -5.177 19.532 535 1HZ LYS 475 1HZ LYS 475 9.961 -6.051 20.220 536 2HZ LYS 475 2HZ LYS 475 10.355 -5.994 18.578 537 3HZ LYS 475 3HZ LYS 475 9.078 -6.968 19.106 538 H ASN 476 H ASN 476 5.598 0.267 15.790 539 HA ASN 476 HA ASN 476 5.266 0.845 18.659 540 1HB ASN 476 2HB ASN 476 7.341 1.651 17.193 541 2HB ASN 476 1HB ASN 476 6.226 2.953 16.788 542 1HD2 ASN 476 1HD2 ASN 476 5.307 4.169 18.563 543 2HD2 ASN 476 2HD2 ASN 476 6.226 4.377 20.012 544 H TYR 477 H TYR 477 4.077 1.486 15.434 545 HA TYR 477 HA TYR 477 2.108 3.386 16.470 546 1HB TYR 477 2HB TYR 477 3.061 2.664 13.722 547 2HB TYR 477 1HB TYR 477 1.503 3.457 13.928 548 HD1 TYR 477 1HD TYR 477 5.135 3.837 14.199 549 HD2 TYR 477 2HD TYR 477 1.370 5.760 14.687 550 HE1 TYR 477 1HE TYR 477 6.269 6.016 14.309 551 HE2 TYR 477 2HE TYR 477 2.495 7.946 14.795 552 HH TYR 477 HH TYR 477 4.755 8.826 15.376 553 HA PRO 478 HA PRO 478 -1.310 0.618 16.347 554 1HB PRO 478 2HB PRO 478 -3.042 2.485 14.935 555 2HB PRO 478 1HB PRO 478 -3.060 2.022 16.638 556 1HG PRO 478 2HG PRO 478 -2.330 4.493 15.793 557 2HG PRO 478 1HG PRO 478 -1.666 3.739 17.254 558 1HD PRO 478 2HD PRO 478 -0.458 3.954 14.519 559 2HD PRO 478 1HD PRO 478 0.304 4.184 16.108 560 H PHE 479 H PHE 479 0.297 -0.149 14.294 561 HA PHE 479 HA PHE 479 -1.289 -0.249 11.853 562 1HB PHE 479 2HB PHE 479 1.492 -1.156 12.573 563 2HB PHE 479 1HB PHE 479 0.728 -1.647 11.066 564 HD1 PHE 479 1HD PHE 479 0.228 0.005 9.332 565 HD2 PHE 479 2HD PHE 479 2.272 1.078 12.903 566 HE1 PHE 479 1HE PHE 479 0.959 2.098 8.276 567 HE2 PHE 479 2HE PHE 479 3.007 3.180 11.853 568 HZ PHE 479 HZ PHE 479 2.351 3.689 9.535 569 H VAL 480 H VAL 480 -3.055 -1.525 12.545 570 HA VAL 480 HA VAL 480 -2.596 -4.139 13.669 571 HB VAL 480 HB VAL 480 -5.197 -3.021 12.622 572 1HG1 VAL 480 1HG1 VAL 480 -4.444 -5.370 14.313 573 2HG1 VAL 480 2HG1 VAL 480 -5.534 -5.293 12.929 574 3HG1 VAL 480 3HG1 VAL 480 -6.030 -4.619 14.481 575 1HG2 VAL 480 1HG2 VAL 480 -3.673 -2.437 15.074 576 2HG2 VAL 480 2HG2 VAL 480 -5.387 -2.783 15.302 577 3HG2 VAL 480 3HG2 VAL 480 -4.887 -1.473 14.232 578 H ASN 481 H ASN 481 -4.541 -3.244 10.813 579 HA ASN 481 HA ASN 481 -3.709 -5.763 9.570 580 1HB ASN 481 2HB ASN 481 -6.158 -4.146 9.499 581 2HB ASN 481 1HB ASN 481 -5.644 -4.715 7.914 582 1HD2 ASN 481 1HD2 ASN 481 -6.057 -6.749 7.356 583 2HD2 ASN 481 2HD2 ASN 481 -6.691 -7.960 8.411 584 H ARG 482 H ARG 482 -1.665 -4.121 9.487 585 HA ARG 482 HA ARG 482 -1.494 -3.381 6.663 586 1HB ARG 482 2HB ARG 482 -0.687 -1.551 8.929 587 2HB ARG 482 1HB ARG 482 -0.356 -1.259 7.227 588 1HG ARG 482 2HG ARG 482 -2.286 -0.190 7.082 589 2HG ARG 482 1HG ARG 482 -3.120 -1.708 7.417 590 1HD ARG 482 2HD ARG 482 -2.602 -1.140 9.899 591 2HD ARG 482 1HD ARG 482 -2.370 0.500 9.294 592 HE ARG 482 HE ARG 482 -4.801 -0.353 8.296 593 1HH1 ARG 482 1HH1 ARG 482 -3.377 0.155 11.441 594 2HH1 ARG 482 2HH1 ARG 482 -4.884 0.544 12.200 595 1HH2 ARG 482 1HH2 ARG 482 -6.785 0.157 9.292 596 2HH2 ARG 482 2HH2 ARG 482 -6.819 0.544 10.981 597 H THR 483 H THR 483 0.129 -4.568 5.912 598 HA THR 483 HA THR 483 2.356 -5.248 7.680 599 HB THR 483 HB THR 483 2.941 -6.631 5.476 600 HG1 THR 483 1HG THR 483 0.174 -6.827 5.286 601 1HG2 THR 483 1HG2 THR 483 1.030 -8.301 6.408 602 2HG2 THR 483 2HG2 THR 483 1.264 -7.238 7.796 603 3HG2 THR 483 3HG2 THR 483 2.635 -8.114 7.113 604 H ALA 484 H ALA 484 4.554 -5.352 6.532 605 HA ALA 484 HA ALA 484 5.319 -2.745 5.827 606 1HB ALA 484 1HB ALA 484 6.812 -5.323 5.343 607 2HB ALA 484 2HB ALA 484 6.886 -4.337 6.806 608 3HB ALA 484 3HB ALA 484 7.505 -3.703 5.282 609 H VAL 485 H VAL 485 3.984 -5.273 3.945 610 HA VAL 485 HA VAL 485 5.062 -4.550 1.417 611 HB VAL 485 HB VAL 485 2.495 -6.029 2.012 612 1HG1 VAL 485 1HG1 VAL 485 4.198 -6.077 -0.475 613 2HG1 VAL 485 2HG1 VAL 485 2.718 -5.137 -0.297 614 3HG1 VAL 485 3HG1 VAL 485 2.659 -6.897 -0.222 615 1HG2 VAL 485 1HG2 VAL 485 5.307 -6.808 2.210 616 2HG2 VAL 485 2HG2 VAL 485 4.333 -7.897 1.225 617 3HG2 VAL 485 3HG2 VAL 485 3.869 -7.566 2.893 618 H MET 486 H MET 486 2.062 -3.720 3.130 619 HA MET 486 HA MET 486 0.882 -2.269 1.018 620 1HB MET 486 2HB MET 486 0.504 -2.144 4.009 621 2HB MET 486 1HB MET 486 -0.461 -1.199 2.882 622 1HG MET 486 2HG MET 486 -0.996 -3.450 1.771 623 2HG MET 486 1HG MET 486 -0.389 -4.163 3.265 624 1HE MET 486 1HE MET 486 -3.270 -5.027 2.649 625 2HE MET 486 2HE MET 486 -3.363 -3.678 1.517 626 3HE MET 486 3HE MET 486 -4.540 -3.816 2.821 627 H ILE 487 H ILE 487 2.637 -1.118 3.901 628 HA ILE 487 HA ILE 487 2.635 1.589 3.361 629 HB ILE 487 HB ILE 487 4.840 -0.022 4.655 630 1HG1 ILE 487 2HG1 ILE 487 3.035 1.591 6.323 631 2HG1 ILE 487 1HG1 ILE 487 2.237 0.265 5.483 632 1HG2 ILE 487 1HG2 ILE 487 4.516 2.856 4.175 633 2HG2 ILE 487 2HG2 ILE 487 5.968 1.915 4.512 634 3HG2 ILE 487 3HG2 ILE 487 4.919 2.422 5.836 635 1HD1 ILE 487 1HD1 ILE 487 3.772 0.179 7.845 636 2HD1 ILE 487 2HD1 ILE 487 4.654 -0.712 6.606 637 3HD1 ILE 487 3HD1 ILE 487 2.993 -1.153 6.994 638 H LYS 488 H LYS 488 5.090 -0.803 2.376 639 HA LYS 488 HA LYS 488 6.788 0.952 1.025 640 1HB LYS 488 2HB LYS 488 6.664 -1.800 1.479 641 2HB LYS 488 1HB LYS 488 6.649 -1.639 -0.273 642 1HG LYS 488 2HG LYS 488 8.643 -0.021 1.188 643 2HG LYS 488 1HG LYS 488 8.890 -1.767 1.169 644 1HD LYS 488 2HD LYS 488 9.159 -1.837 -1.122 645 2HD LYS 488 1HD LYS 488 8.254 -0.344 -1.378 646 1HE LYS 488 2HE LYS 488 10.521 0.266 0.217 647 2HE LYS 488 1HE LYS 488 11.067 -0.707 -1.149 648 1HZ LYS 488 1HZ LYS 488 11.128 1.362 -2.061 649 2HZ LYS 488 2HZ LYS 488 9.845 1.954 -1.132 650 3HZ LYS 488 3HZ LYS 488 9.535 0.947 -2.455 651 H ASP 489 H ASP 489 3.776 -0.501 0.036 652 HA ASP 489 HA ASP 489 4.074 0.026 -2.752 653 1HB ASP 489 2HB ASP 489 2.013 -1.063 -0.979 654 2HB ASP 489 1HB ASP 489 1.352 -0.118 -2.309 655 H ARG 490 H ARG 490 2.733 1.788 -0.027 656 HA ARG 490 HA ARG 490 1.525 3.832 -1.632 657 1HB ARG 490 2HB ARG 490 1.052 3.059 0.857 658 2HB ARG 490 1HB ARG 490 2.242 4.299 1.228 659 1HG ARG 490 2HG ARG 490 0.900 6.010 0.411 660 2HG ARG 490 1HG ARG 490 -0.100 4.904 -0.533 661 1HD ARG 490 2HD ARG 490 -1.410 4.369 1.232 662 2HD ARG 490 1HD ARG 490 -0.075 4.452 2.382 663 HE ARG 490 HE ARG 490 -0.690 6.594 2.850 664 1HH1 ARG 490 1HH1 ARG 490 -2.017 5.727 -0.261 665 2HH1 ARG 490 2HH1 ARG 490 -2.901 7.207 -0.437 666 1HH2 ARG 490 1HH2 ARG 490 -1.854 8.542 2.618 667 2HH2 ARG 490 2HH2 ARG 490 -2.806 8.805 1.196 668 H TRP 491 H TRP 491 4.505 3.583 0.278 669 HA TRP 491 HA TRP 491 5.392 6.216 -0.103 670 1HB TRP 491 2HB TRP 491 6.275 4.361 1.487 671 2HB TRP 491 1HB TRP 491 7.293 3.902 0.124 672 HD1 TRP 491 HD TRP 491 9.630 4.880 0.400 673 HE1 TRP 491 1HE TRP 491 10.627 7.077 1.297 674 HE3 TRP 491 3HE TRP 491 5.310 7.206 1.837 675 HZ2 TRP 491 2HZ TRP 491 9.705 9.478 2.460 676 HZ3 TRP 491 3HZ TRP 491 5.454 9.451 2.833 677 HH2 TRP 491 HH TRP 491 7.606 10.562 3.137 678 H ARG 492 H ARG 492 5.498 3.425 -2.180 679 HA ARG 492 HA ARG 492 7.457 4.563 -3.972 680 1HB ARG 492 2HB ARG 492 6.805 2.024 -3.459 681 2HB ARG 492 1HB ARG 492 5.727 2.297 -4.822 682 1HG ARG 492 2HG ARG 492 7.417 2.406 -6.317 683 2HG ARG 492 1HG ARG 492 8.532 3.152 -5.171 684 1HD ARG 492 2HD ARG 492 9.346 1.174 -4.486 685 2HD ARG 492 1HD ARG 492 7.760 0.405 -4.504 686 HE ARG 492 HE ARG 492 8.184 -0.356 -6.626 687 1HH1 ARG 492 1HH1 ARG 492 10.533 2.090 -5.797 688 2HH1 ARG 492 2HH1 ARG 492 11.515 1.799 -7.195 689 1HH2 ARG 492 1HH2 ARG 492 9.473 -0.740 -8.463 690 2HH2 ARG 492 2HH2 ARG 492 10.913 0.192 -8.706 691 H THR 493 H THR 493 3.990 4.455 -3.688 692 HA THR 493 HA THR 493 3.468 5.236 -6.394 693 HB THR 493 HB THR 493 1.930 4.028 -4.609 694 HG1 THR 493 1HG THR 493 1.426 4.494 -6.825 695 1HG2 THR 493 1HG2 THR 493 1.928 6.393 -3.343 696 2HG2 THR 493 2HG2 THR 493 0.585 5.252 -3.295 697 3HG2 THR 493 3HG2 THR 493 0.542 6.614 -4.413 698 H MET 494 H MET 494 4.098 6.886 -3.403 699 HA MET 494 HA MET 494 3.164 9.444 -4.373 700 1HB MET 494 2HB MET 494 4.282 8.394 -1.829 701 2HB MET 494 1HB MET 494 4.504 10.108 -2.155 702 1HG MET 494 2HG MET 494 1.901 9.899 -2.714 703 2HG MET 494 1HG MET 494 2.049 8.593 -1.541 704 1HE MET 494 1HE MET 494 2.679 8.878 0.938 705 2HE MET 494 2HE MET 494 0.981 9.255 0.640 706 3HE MET 494 3HE MET 494 1.929 10.262 1.734 707 H LYS 495 H LYS 495 6.185 7.711 -4.105 708 HA LYS 495 HA LYS 495 7.773 10.056 -4.730 709 1HB LYS 495 2HB LYS 495 8.349 7.824 -3.331 710 2HB LYS 495 1HB LYS 495 8.985 7.358 -4.903 711 1HG LYS 495 2HG LYS 495 10.696 8.819 -4.795 712 2HG LYS 495 1HG LYS 495 9.740 10.045 -3.961 713 1HD LYS 495 2HD LYS 495 10.022 8.966 -1.866 714 2HD LYS 495 1HD LYS 495 10.677 7.514 -2.626 715 1HE LYS 495 2HE LYS 495 12.709 8.553 -3.128 716 2HE LYS 495 1HE LYS 495 12.036 10.170 -2.920 717 1HZ LYS 495 1HZ LYS 495 11.736 9.513 -0.506 718 2HZ LYS 495 2HZ LYS 495 13.321 9.790 -1.023 719 3HZ LYS 495 3HZ LYS 495 12.760 8.206 -0.831 720 H ARG 496 H ARG 496 6.357 7.350 -6.402 721 HA ARG 496 HA ARG 496 7.933 7.734 -8.792 722 1HB ARG 496 2HB ARG 496 6.936 5.517 -7.989 723 2HB ARG 496 1HB ARG 496 5.396 6.124 -8.583 724 1HG ARG 496 2HG ARG 496 6.190 6.202 -10.816 725 2HG ARG 496 1HG ARG 496 7.853 5.918 -10.303 726 1HD ARG 496 2HD ARG 496 7.188 3.686 -9.490 727 2HD ARG 496 1HD ARG 496 5.554 3.976 -10.087 728 HE ARG 496 HE ARG 496 7.098 4.365 -12.277 729 1HH1 ARG 496 1HH1 ARG 496 6.832 1.760 -9.968 730 2HH1 ARG 496 2HH1 ARG 496 7.273 0.536 -11.112 731 1HH2 ARG 496 1HH2 ARG 496 7.677 2.755 -13.782 732 2HH2 ARG 496 2HH2 ARG 496 7.753 1.102 -13.275 733 H LEU 497 H LEU 497 4.797 8.680 -7.574 734 HA LEU 497 HA LEU 497 4.473 10.412 -9.919 735 1HB LEU 497 2HB LEU 497 2.754 8.229 -9.103 736 2HB LEU 497 1HB LEU 497 1.878 9.746 -9.109 737 HG LEU 497 HG LEU 497 3.443 9.507 -11.518 738 1HD1 LEU 497 1HD1 LEU 497 2.860 7.516 -12.408 739 2HD1 LEU 497 2HD1 LEU 497 1.331 7.445 -11.533 740 3HD1 LEU 497 3HD1 LEU 497 2.837 7.026 -10.715 741 1HD2 LEU 497 1HD2 LEU 497 0.899 9.480 -12.338 742 2HD2 LEU 497 2HD2 LEU 497 1.709 10.941 -11.775 743 3HD2 LEU 497 3HD2 LEU 497 0.657 10.042 -10.684 744 H GLY 498 H GLY 498 5.462 11.879 -8.282 745 1HA GLY 498 2HA GLY 498 3.684 13.739 -7.323 746 2HA GLY 498 1HA GLY 498 3.946 12.638 -5.980 747 H MET 499 H MET 499 6.380 12.146 -5.626 748 HA MET 499 HA MET 499 7.646 14.692 -5.161 749 1HB MET 499 2HB MET 499 8.601 11.879 -4.594 750 2HB MET 499 1HB MET 499 9.397 13.347 -4.042 751 1HG MET 499 2HG MET 499 7.093 13.875 -2.963 752 2HG MET 499 1HG MET 499 6.817 12.144 -3.153 753 1HE MET 499 1HE MET 499 6.534 13.157 -0.341 754 2HE MET 499 2HE MET 499 7.560 14.567 -0.609 755 3HE MET 499 3HE MET 499 7.983 13.393 0.637 756 H ASN 500 H ASN 500 7.531 12.657 -7.779 757 HA ASN 500 HA ASN 500 10.246 13.373 -8.662 758 1HB ASN 500 2HB ASN 500 8.755 10.951 -8.844 759 2HB ASN 500 1HB ASN 500 9.006 11.557 -10.477 760 1HD2 ASN 500 1HD2 ASN 500 10.519 10.357 -7.599 761 2HD2 ASN 500 2HD2 ASN 500 12.083 10.096 -8.283 Start of MODEL 20 1 2H5* G 1 H5' GUA 1 8.702 -14.999 10.851 2 H4* G 1 H4' GUA 1 10.422 -13.141 11.442 3 H3* G 1 H3' GUA 1 8.044 -12.932 10.239 4 H1* G 1 H1' GUA 1 11.208 -11.654 8.323 5 H8 G 1 8H GUA 1 9.708 -14.951 7.001 6 H1 G 1 1H GUA 1 14.933 -12.833 3.942 7 1H2 G 1 1H2 GUA 1 14.998 -10.373 6.374 8 2H2 G 1 2H2 GUA 1 15.739 -11.053 4.944 9 2H2* G 1 H2' GUA 1 8.856 -11.590 8.031 10 H5T G 1 H5T GUA 1 10.664 -16.201 9.392 11 2H5* T 2 H5' THY 2 10.750 -8.675 10.541 12 H4* T 2 H4' THY 2 12.225 -7.663 9.135 13 H3* T 2 H3' THY 2 9.732 -6.666 8.839 14 2H2* T 2 H2' THY 2 9.788 -6.482 6.135 15 H1* T 2 H1' THY 2 11.877 -7.574 5.741 16 H3 T 2 3H THY 2 11.318 -10.504 2.435 17 1H5M T 2 1H7 THY 2 7.803 -12.601 4.498 18 2H5M T 2 2H7 THY 2 7.420 -11.550 5.882 19 3H5M T 2 3H7 THY 2 8.628 -12.848 6.056 20 H6 T 2 6H THY 2 9.262 -10.022 6.713 21 2H5* T 3 H5' THY 3 13.404 -4.260 6.198 22 H4* T 3 H4' THY 3 14.289 -4.449 4.103 23 H3* T 3 H3' THY 3 12.208 -2.737 4.178 24 2H2* T 3 H2' THY 3 11.046 -3.520 1.865 25 H1* T 3 H1' THY 3 12.458 -5.389 1.367 26 H3 T 3 3H THY 3 10.042 -8.987 0.321 27 1H5M T 3 1H7 THY 3 7.967 -8.846 4.562 28 2H5M T 3 2H7 THY 3 7.016 -7.539 3.821 29 3H5M T 3 3H7 THY 3 8.228 -7.160 5.067 30 H6 T 3 6H THY 3 9.968 -6.001 4.040 31 2H5* A 4 H5' ADE 4 14.644 -2.754 -0.421 32 H4* A 4 H4' ADE 4 14.383 -3.869 -2.390 33 H3* A 4 H3' ADE 4 12.784 -1.702 -2.254 34 H1* A 4 H1' ADE 4 11.374 -5.098 -3.483 35 H8 A 4 8H ADE 4 10.247 -4.228 0.133 36 1H6 A 4 1H6 ADE 4 7.000 -7.815 0.614 37 2H6 A 4 2H6 ADE 4 6.506 -9.130 -0.429 38 H2 A 4 2H ADE 4 8.931 -8.794 -4.183 39 2H2* A 4 H2' ADE 4 10.586 -2.845 -3.342 40 2H5* G 5 H5' GUA 5 13.125 -3.981 -6.686 41 H4* G 5 H4' GUA 5 12.010 -5.398 -8.009 42 H3* G 5 H3' GUA 5 10.931 -2.962 -8.377 43 H1* G 5 H1' GUA 5 8.615 -6.020 -7.760 44 H8 G 5 8H GUA 5 8.983 -3.716 -4.666 45 H1 G 5 1H GUA 5 4.641 -8.415 -4.198 46 1H2 G 5 1H2 GUA 5 5.737 -9.334 -7.349 47 2H2 G 5 2H2 GUA 5 4.658 -9.654 -6.007 48 2H2* G 5 H2' GUA 5 8.335 -3.726 -8.356 49 2H5* G 6 H5' GUA 6 9.225 -6.599 -11.365 50 H4* G 6 H4' GUA 6 7.466 -7.999 -11.540 51 H3* G 6 H3' GUA 6 6.863 -5.649 -12.713 52 H1* G 6 H1' GUA 6 4.338 -7.324 -10.297 53 H8 G 6 8H GUA 6 6.121 -4.257 -8.739 54 H1 G 6 1H GUA 6 1.441 -6.892 -5.231 55 1H2 G 6 1H2 GUA 6 1.247 -9.223 -7.783 56 2H2 G 6 2H2 GUA 6 0.642 -8.669 -6.237 57 2H2* G 6 H2' GUA 6 4.336 -5.436 -11.768 58 2H5* G 7 H5' GUA 7 3.455 -9.350 -13.803 59 H4* G 7 H4' GUA 7 1.469 -10.126 -12.975 60 H3* G 7 H3' GUA 7 1.129 -8.226 -14.828 61 H1* G 7 H1' GUA 7 -0.801 -7.891 -11.439 62 H8 G 7 8H GUA 7 2.355 -5.653 -11.729 63 H1 G 7 1H GUA 7 -1.395 -4.623 -6.628 64 1H2 G 7 1H2 GUA 7 -3.281 -7.249 -7.856 65 2H2 G 7 2H2 GUA 7 -3.071 -6.040 -6.612 66 2H2* G 7 H2' GUA 7 -0.781 -6.794 -13.543 67 2H5* T 8 H5' THY 8 -3.095 -10.277 -13.063 68 H4* T 8 H4' THY 8 -4.694 -9.809 -11.516 69 H3* T 8 H3' THY 8 -5.343 -8.816 -13.939 70 2H2* T 8 H2' THY 8 -6.328 -6.450 -13.064 71 H1* T 8 H1' THY 8 -5.735 -6.637 -10.756 72 H3 T 8 3H THY 8 -3.880 -2.791 -9.502 73 1H5M T 8 1H7 THY 8 -0.143 -4.547 -12.457 74 2H5M T 8 2H7 THY 8 -1.212 -4.262 -13.851 75 3H5M T 8 3H7 THY 8 -0.716 -2.901 -12.814 76 H6 T 8 6H THY 8 -2.710 -6.017 -12.815 77 2H5* T 9 H5' THY 9 -8.970 -8.813 -10.455 78 H4* T 9 H4' THY 9 -9.937 -7.402 -9.014 79 H3* T 9 H3' THY 9 -11.085 -6.995 -11.419 80 2H2* T 9 H2' THY 9 -11.134 -4.290 -11.310 81 H1* T 9 H1' THY 9 -9.896 -3.982 -9.288 82 H3 T 9 3H THY 9 -6.729 -0.899 -9.876 83 1H5M T 9 1H7 THY 9 -5.155 -2.821 -13.714 84 2H5M T 9 2H7 THY 9 -5.056 -4.491 -13.105 85 3H5M T 9 3H7 THY 9 -6.416 -4.002 -14.145 86 H6 T 9 6H THY 9 -7.780 -4.945 -12.173 87 2H5* A 10 H5' ADE 10 -13.605 -4.685 -7.509 88 H4* A 10 H4' ADE 10 -13.404 -2.641 -6.550 89 H3* A 10 H3' ADE 10 -15.126 -2.561 -8.633 90 H1* A 10 H1' ADE 10 -12.431 0.173 -8.174 91 H8 A 10 8H ADE 10 -11.464 -2.352 -10.969 92 1H6 A 10 1H6 ADE 10 -7.804 0.242 -12.850 93 2H6 A 10 2H6 ADE 10 -7.090 1.785 -12.433 94 H2 A 10 2H ADE 10 -9.353 3.339 -8.886 95 2H2* A 10 H2' ADE 10 -14.312 -0.173 -9.618 96 2H5* G 11 H5' GUA 11 -15.806 1.761 -5.528 97 H4* G 11 H4' GUA 11 -14.319 3.586 -5.420 98 H3* G 11 H3' GUA 11 -16.634 3.891 -6.798 99 H1* G 11 H1' GUA 11 -13.275 5.170 -8.189 100 H8 G 11 8H GUA 11 -14.277 1.810 -9.862 101 H1 G 11 1H GUA 11 -9.756 5.241 -12.850 102 1H2 G 11 1H2 GUA 11 -10.191 7.505 -10.270 103 2H2 G 11 2H2 GUA 11 -9.350 7.095 -11.749 104 2H2* G 11 H2' GUA 11 -15.587 5.345 -8.827 105 2H5* G 12 H5' GUA 12 -14.499 8.494 -5.435 106 H4* G 12 H4' GUA 12 -12.747 9.658 -6.425 107 H3* G 12 H3' GUA 12 -15.219 10.560 -6.992 108 H1* G 12 H1' GUA 12 -12.624 10.099 -9.833 109 H8 G 12 8H GUA 12 -15.077 7.096 -9.623 110 H1 G 12 1H GUA 12 -11.721 7.651 -15.061 111 1H2 G 12 1H2 GUA 12 -10.351 10.462 -13.578 112 2H2 G 12 2H2 GUA 12 -10.410 9.409 -14.974 113 2H2* G 12 H2' GUA 12 -14.828 11.012 -9.629 114 2H5* G 13 H5' GUA 13 -11.689 14.211 -8.537 115 H4* G 13 H4' GUA 13 -10.360 14.429 -10.492 116 H3* G 13 H3' GUA 13 -12.598 15.898 -10.265 117 H1* G 13 H1' GUA 13 -11.909 13.956 -13.557 118 H8 G 13 8H GUA 13 -14.387 12.096 -11.220 119 H1 G 13 1H GUA 13 -14.105 10.027 -17.285 120 1H2 G 13 1H2 GUA 13 -11.724 12.503 -17.704 121 2H2 G 13 2H2 GUA 13 -12.643 11.200 -18.426 122 H3T G 13 H3T GUA 13 -11.219 17.070 -11.291 123 2H2* G 13 H2' GUA 13 -13.512 15.548 -12.785 124 2H5* C 14 H5' CYT 14 -13.067 7.164 -25.670 125 H4* C 14 H4' CYT 14 -11.720 9.075 -24.786 126 H3* C 14 H3' CYT 14 -11.195 6.465 -24.418 127 H1* C 14 H1' CYT 14 -11.308 8.853 -21.356 128 1H4 C 14 1H4 CYT 14 -16.761 7.102 -18.020 129 2H4 C 14 2H4 CYT 14 -15.948 8.337 -17.086 130 H5 C 14 5H CYT 14 -15.952 6.327 -20.167 131 H6 C 14 6H CYT 14 -14.204 6.582 -21.850 132 2H2* C 14 H2' CYT 14 -10.713 6.576 -21.758 133 H5T C 14 H5T CYT 14 -14.408 7.619 -23.208 134 2H5* C 15 H5' CYT 15 -7.059 9.370 -22.798 135 H4* C 15 H4' CYT 15 -6.738 10.491 -20.798 136 H3* C 15 H3' CYT 15 -5.645 8.029 -20.907 137 H1* C 15 H1' CYT 15 -7.688 9.121 -17.794 138 1H4 C 15 1H4 CYT 15 -13.229 5.485 -17.987 139 2H4 C 15 2H4 CYT 15 -13.178 6.296 -16.438 140 H5 C 15 5H CYT 15 -11.519 5.770 -19.678 141 H6 C 15 6H CYT 15 -9.418 6.888 -20.221 142 2H2* C 15 H2' CYT 15 -6.324 7.256 -18.402 143 2H5* C 16 H5' CYT 16 -3.779 10.963 -16.996 144 H4* C 16 H4' CYT 16 -4.741 11.346 -14.931 145 H3* C 16 H3' CYT 16 -2.764 9.501 -14.932 146 H1* C 16 H1' CYT 16 -6.099 8.830 -13.043 147 1H4 C 16 1H4 CYT 16 -9.051 4.014 -16.516 148 2H4 C 16 2H4 CYT 16 -9.839 4.103 -14.956 149 H5 C 16 5H CYT 16 -7.214 5.460 -17.149 150 H6 C 16 6H CYT 16 -5.764 7.279 -16.412 151 2H2* C 16 H2' CYT 16 -3.963 7.797 -13.185 152 2H5* T 17 H5' THY 17 -4.210 11.246 -10.202 153 H4* T 17 H4' THY 17 -6.176 10.567 -9.121 154 H3* T 17 H3' THY 17 -3.822 9.640 -8.138 155 2H2* T 17 H2' THY 17 -4.749 7.161 -7.530 156 H1* T 17 H1' THY 17 -6.892 7.310 -8.574 157 H3 T 17 3H THY 17 -7.382 3.502 -10.833 158 1H5M T 17 1H7 THY 17 -4.304 5.731 -14.054 159 2H5M T 17 2H7 THY 17 -3.018 5.881 -12.835 160 3H5M T 17 3H7 THY 17 -3.573 4.271 -13.350 161 H6 T 17 6H THY 17 -4.345 7.155 -11.262 162 2H5* A 18 H5' ADE 18 -6.096 7.888 -3.578 163 H4* A 18 H4' ADE 18 -6.288 5.601 -3.314 164 H3* A 18 H3' ADE 18 -3.544 6.394 -4.101 165 H1* A 18 H1' ADE 18 -5.690 3.128 -4.735 166 H8 A 18 8H ADE 18 -3.117 4.787 -7.106 167 1H6 A 18 1H6 ADE 18 -3.802 1.815 -10.896 168 2H6 A 18 2H6 ADE 18 -4.912 0.496 -11.197 169 H2 A 18 2H ADE 18 -7.460 0.080 -7.533 170 2H2* A 18 H2' ADE 18 -3.781 3.492 -3.557 171 2H5* A 19 H5' ADE 19 -5.987 3.786 -1.104 172 H4* A 19 H4' ADE 19 -7.203 1.897 -1.537 173 H3* A 19 H3' ADE 19 -5.006 1.382 -0.093 174 H1* A 19 H1' ADE 19 -5.799 -0.827 -3.184 175 H8 A 19 8H ADE 19 -3.072 1.841 -3.924 176 1H6 A 19 1H6 ADE 19 -1.638 0.054 -8.204 177 2H6 A 19 2H6 ADE 19 -2.160 -1.306 -9.173 178 H2 A 19 2H ADE 19 -5.497 -3.288 -6.924 179 2H2* A 19 H2' ADE 19 -4.183 -0.822 -1.417 180 2H5* C 20 H5' CYT 20 -7.652 -3.371 -0.052 181 H4* C 20 H4' CYT 20 -7.608 -5.218 -1.557 182 H3* C 20 H3' CYT 20 -5.897 -5.138 0.537 183 H1* C 20 H1' CYT 20 -4.669 -6.118 -3.003 184 1H4 C 20 1H4 CYT 20 -0.723 -1.152 -4.940 185 2H4 C 20 2H4 CYT 20 -0.552 -2.451 -6.102 186 H5 C 20 5H CYT 20 -2.214 -1.279 -3.035 187 H6 C 20 6H CYT 20 -3.833 -2.677 -1.858 188 2H2* C 20 H2' CYT 20 -3.744 -6.103 -0.797 189 2H5* C 21 H5' CYT 21 -6.394 -10.094 -1.355 190 H4* C 21 H4' CYT 21 -5.455 -10.944 -3.299 191 H3* C 21 H3' CYT 21 -4.150 -11.549 -1.014 192 H1* C 21 H1' CYT 21 -2.192 -10.335 -4.134 193 1H4 C 21 1H4 CYT 21 0.085 -4.316 -2.543 194 2H4 C 21 2H4 CYT 21 0.859 -4.800 -4.037 195 H5 C 21 5H CYT 21 -1.538 -5.698 -1.394 196 H6 C 21 6H CYT 21 -2.744 -7.819 -1.446 197 2H2* C 21 H2' CYT 21 -1.640 -11.217 -1.979 198 2H5* C 22 H5' CYT 22 -2.275 -14.298 -4.975 199 H4* C 22 H4' CYT 22 -0.464 -14.312 -6.412 200 H3* C 22 H3' CYT 22 -0.024 -15.530 -4.063 201 H1* C 22 H1' CYT 22 2.594 -12.970 -5.392 202 1H4 C 22 1H4 CYT 22 2.002 -7.736 -1.371 203 2H4 C 22 2H4 CYT 22 3.372 -7.445 -2.420 204 H5 C 22 5H CYT 22 0.627 -9.724 -1.520 205 H6 C 22 6H CYT 22 0.289 -11.829 -2.704 206 2H2* C 22 H2' CYT 22 2.440 -14.516 -3.586 207 2H5* T 23 H5' THY 23 3.654 -15.867 -7.455 208 H4* T 23 H4' THY 23 5.604 -14.847 -7.940 209 H3* T 23 H3' THY 23 6.042 -16.829 -6.152 210 2H2* T 23 H2' THY 23 7.823 -15.480 -4.624 211 H1* T 23 H1' THY 23 7.647 -13.341 -5.684 212 H3 T 23 3H THY 23 7.280 -10.213 -2.534 213 1H5M T 23 1H7 THY 23 2.992 -13.378 -1.993 214 2H5M T 23 2H7 THY 23 3.266 -11.926 -1.004 215 3H5M T 23 3H7 THY 23 4.052 -13.460 -0.566 216 H6 T 23 6H THY 23 4.696 -14.088 -3.561 217 2H5* A 24 H5' ADE 24 10.425 -15.276 -8.596 218 H4* A 24 H4' ADE 24 11.805 -13.514 -8.148 219 H3* A 24 H3' ADE 24 12.633 -15.787 -6.961 220 H1* A 24 H1' ADE 24 12.540 -12.467 -4.969 221 H8 A 24 8H ADE 24 9.623 -14.851 -4.022 222 1H6 A 24 1H6 ADE 24 8.031 -12.336 -0.178 223 2H6 A 24 2H6 ADE 24 8.520 -10.820 0.550 224 H2 A 24 2H ADE 24 11.942 -9.258 -1.891 225 2H2* A 24 H2' ADE 24 13.338 -14.689 -4.591 226 2H5* A 25 H5' ADE 25 16.505 -12.140 -6.943 227 H4* A 25 H4' ADE 25 16.717 -10.297 -5.530 228 H3* A 25 H3' ADE 25 18.215 -12.459 -4.915 229 H1* A 25 H1' ADE 25 16.254 -10.567 -2.166 230 H8 A 25 8H ADE 25 14.460 -13.858 -3.213 231 1H6 A 25 1H6 ADE 25 11.339 -14.025 0.511 232 2H6 A 25 2H6 ADE 25 11.053 -12.977 1.884 233 H2 A 25 2H ADE 25 13.962 -9.581 1.548 234 2H2* A 25 H2' ADE 25 17.869 -12.335 -2.234 235 2H5* C 26 H5' CYT 26 19.630 -8.211 -2.266 236 H4* C 26 H4' CYT 26 18.845 -7.279 -0.282 237 H3* C 26 H3' CYT 26 21.094 -8.729 -0.081 238 H1* C 26 H1' CYT 26 18.203 -9.349 2.450 239 1H4 C 26 1H4 CYT 26 15.712 -15.253 0.752 240 2H4 C 26 2H4 CYT 26 15.068 -14.837 2.324 241 H5 C 26 5H CYT 26 17.229 -13.815 -0.472 242 H6 C 26 6H CYT 26 18.430 -11.692 -0.435 243 H3T C 26 H3T CYT 26 20.117 -6.796 1.154 244 2H2* C 26 H2' CYT 26 20.460 -10.072 2.180 245 1H GLU 438 H GLU 438 -22.985 -0.091 11.721 246 HA GLU 438 HA GLU 438 -22.063 2.650 12.293 247 1HB GLU 438 2HB GLU 438 -21.179 0.070 13.321 248 2HB GLU 438 1HB GLU 438 -19.856 0.997 12.627 249 1HG GLU 438 2HG GLU 438 -19.804 2.391 14.353 250 2HG GLU 438 1HG GLU 438 -21.551 2.631 14.313 251 H ASP 439 H ASP 439 -21.989 3.427 10.224 252 HA ASP 439 HA ASP 439 -21.179 3.804 8.131 253 1HB ASP 439 2HB ASP 439 -18.971 2.644 9.635 254 2HB ASP 439 1HB ASP 439 -18.844 2.304 7.912 255 H SER 440 H SER 440 -22.949 2.625 7.225 256 HA SER 440 HA SER 440 -22.065 0.203 5.838 257 1HB SER 440 2HB SER 440 -24.101 0.312 7.885 258 2HB SER 440 1HB SER 440 -24.798 -0.206 6.351 259 HG SER 440 HG SER 440 -22.797 -1.416 7.901 260 H THR 441 H THR 441 -22.269 0.511 3.734 261 HA THR 441 HA THR 441 -24.573 2.047 2.741 262 HB THR 441 HB THR 441 -22.757 2.649 0.857 263 HG1 THR 441 1HG THR 441 -21.257 2.599 3.261 264 1HG2 THR 441 1HG2 THR 441 -22.219 4.743 2.238 265 2HG2 THR 441 2HG2 THR 441 -23.358 4.078 3.411 266 3HG2 THR 441 3HG2 THR 441 -23.894 4.444 1.771 267 H THR 442 H THR 442 -21.822 0.289 1.313 268 HA THR 442 HA THR 442 -23.628 -1.022 -0.545 269 HB THR 442 HB THR 442 -21.210 -2.088 -1.120 270 HG1 THR 442 1HG THR 442 -19.692 -1.037 -0.163 271 1HG2 THR 442 1HG2 THR 442 -21.264 0.596 -2.166 272 2HG2 THR 442 2HG2 THR 442 -22.844 -0.177 -2.273 273 3HG2 THR 442 3HG2 THR 442 -21.434 -0.947 -3.000 274 H ASN 443 H ASN 443 -22.123 -1.686 2.453 275 HA ASN 443 HA ASN 443 -22.224 -3.488 3.844 276 1HB ASN 443 2HB ASN 443 -24.413 -3.893 2.029 277 2HB ASN 443 1HB ASN 443 -23.672 -5.445 2.394 278 1HD2 ASN 443 1HD2 ASN 443 -23.236 -5.818 4.754 279 2HD2 ASN 443 2HD2 ASN 443 -24.461 -5.312 5.863 280 H ILE 444 H ILE 444 -20.728 -4.981 4.224 281 HA ILE 444 HA ILE 444 -19.303 -6.755 3.893 282 HB ILE 444 HB ILE 444 -19.816 -6.620 0.928 283 1HG1 ILE 444 2HG1 ILE 444 -21.178 -8.734 2.440 284 2HG1 ILE 444 1HG1 ILE 444 -21.774 -7.119 2.802 285 1HG2 ILE 444 1HG2 ILE 444 -17.997 -8.067 2.445 286 2HG2 ILE 444 2HG2 ILE 444 -18.462 -8.374 0.771 287 3HG2 ILE 444 3HG2 ILE 444 -19.287 -9.215 2.085 288 1HD1 ILE 444 1HD1 ILE 444 -21.882 -8.657 0.264 289 2HD1 ILE 444 2HD1 ILE 444 -21.843 -6.896 0.198 290 3HD1 ILE 444 3HD1 ILE 444 -23.135 -7.716 1.072 291 H THR 445 H THR 445 -19.176 -3.778 2.166 292 HA THR 445 HA THR 445 -17.446 -2.427 1.553 293 HB THR 445 HB THR 445 -15.522 -4.172 3.050 294 HG1 THR 445 1HG THR 445 -17.187 -4.100 4.479 295 1HG2 THR 445 1HG2 THR 445 -14.375 -2.319 2.369 296 2HG2 THR 445 2HG2 THR 445 -14.960 -1.788 3.946 297 3HG2 THR 445 3HG2 THR 445 -15.785 -1.267 2.475 298 H LYS 446 H LYS 446 -15.639 -2.293 0.097 299 HA LYS 446 HA LYS 446 -14.804 -4.809 -1.137 300 1HB LYS 446 2HB LYS 446 -15.159 -3.673 -3.413 301 2HB LYS 446 1HB LYS 446 -16.573 -4.308 -2.581 302 1HG LYS 446 2HG LYS 446 -17.513 -2.321 -2.867 303 2HG LYS 446 1HG LYS 446 -16.362 -1.685 -1.690 304 1HD LYS 446 2HD LYS 446 -14.787 -1.571 -3.801 305 2HD LYS 446 1HD LYS 446 -16.325 -1.534 -4.664 306 1HE LYS 446 2HE LYS 446 -15.838 0.298 -2.348 307 2HE LYS 446 1HE LYS 446 -15.212 0.696 -3.947 308 1HZ LYS 446 1HZ LYS 446 -17.226 1.664 -4.129 309 2HZ LYS 446 2HZ LYS 446 -17.958 0.654 -2.987 310 3HZ LYS 446 3HZ LYS 446 -17.711 0.103 -4.568 311 H LYS 447 H LYS 447 -14.453 -1.259 -1.349 312 HA LYS 447 HA LYS 447 -11.544 -1.677 -1.516 313 1HB LYS 447 2HB LYS 447 -12.598 -1.074 -3.729 314 2HB LYS 447 1HB LYS 447 -13.028 0.475 -3.020 315 1HG LYS 447 2HG LYS 447 -11.039 0.799 -4.262 316 2HG LYS 447 1HG LYS 447 -10.594 0.840 -2.555 317 1HD LYS 447 2HD LYS 447 -9.370 -1.054 -2.693 318 2HD LYS 447 1HD LYS 447 -10.480 -1.811 -3.835 319 1HE LYS 447 2HE LYS 447 -8.616 0.428 -4.591 320 2HE LYS 447 1HE LYS 447 -8.173 -1.274 -4.716 321 1HZ LYS 447 1HZ LYS 447 -9.467 -1.567 -6.510 322 2HZ LYS 447 2HZ LYS 447 -9.322 0.109 -6.681 323 3HZ LYS 447 3HZ LYS 447 -10.696 -0.549 -5.946 324 H GLN 448 H GLN 448 -10.308 -0.421 -0.261 325 HA GLN 448 HA GLN 448 -11.519 1.906 1.057 326 1HB GLN 448 2HB GLN 448 -10.553 -0.559 2.311 327 2HB GLN 448 1HB GLN 448 -9.837 0.894 2.994 328 1HG GLN 448 2HG GLN 448 -12.591 1.402 2.734 329 2HG GLN 448 1HG GLN 448 -12.432 -0.214 3.421 330 1HE2 GLN 448 1HE2 GLN 448 -11.994 3.164 3.918 331 2HE2 GLN 448 2HE2 GLN 448 -11.552 3.083 5.585 332 H LYS 449 H LYS 449 -10.242 3.673 0.693 333 HA LYS 449 HA LYS 449 -7.523 3.244 -0.219 334 1HB LYS 449 2HB LYS 449 -7.616 5.774 -0.582 335 2HB LYS 449 1HB LYS 449 -8.653 4.771 -1.586 336 1HG LYS 449 2HG LYS 449 -10.569 5.321 -0.246 337 2HG LYS 449 1HG LYS 449 -9.560 6.201 0.902 338 1HD LYS 449 2HD LYS 449 -8.885 7.679 -1.047 339 2HD LYS 449 1HD LYS 449 -10.196 6.920 -1.950 340 1HE LYS 449 2HE LYS 449 -11.828 7.736 -0.415 341 2HE LYS 449 1HE LYS 449 -10.583 8.273 0.712 342 1HZ LYS 449 1HZ LYS 449 -11.545 9.535 -1.729 343 2HZ LYS 449 2HZ LYS 449 -9.884 9.654 -1.429 344 3HZ LYS 449 3HZ LYS 449 -10.990 10.236 -0.291 345 H TRP 450 H TRP 450 -7.296 2.479 2.204 346 HA TRP 450 HA TRP 450 -6.387 2.793 4.274 347 1HB TRP 450 2HB TRP 450 -4.916 4.439 2.327 348 2HB TRP 450 1HB TRP 450 -4.582 4.802 4.019 349 HD1 TRP 450 HD TRP 450 -5.087 1.375 2.264 350 HE1 TRP 450 1HE TRP 450 -3.040 -0.093 2.787 351 HE3 TRP 450 3HE TRP 450 -2.338 4.744 4.954 352 HZ2 TRP 450 2HZ TRP 450 -0.581 0.145 4.157 353 HZ3 TRP 450 3HZ TRP 450 -0.150 4.043 5.834 354 HH2 TRP 450 HH TRP 450 0.709 1.789 5.445 355 H THR 451 H THR 451 -5.725 4.563 5.963 356 HA THR 451 HA THR 451 -7.979 6.445 6.129 357 HB THR 451 HB THR 451 -6.388 6.010 8.560 358 HG1 THR 451 1HG THR 451 -6.865 3.924 8.855 359 1HG2 THR 451 1HG2 THR 451 -8.309 6.845 9.303 360 2HG2 THR 451 2HG2 THR 451 -8.953 5.218 9.082 361 3HG2 THR 451 3HG2 THR 451 -9.166 6.431 7.819 362 H VAL 452 H VAL 452 -7.409 8.432 7.543 363 HA VAL 452 HA VAL 452 -5.193 9.752 6.239 364 HB VAL 452 HB VAL 452 -5.959 11.787 7.334 365 1HG1 VAL 452 1HG1 VAL 452 -8.551 10.660 6.507 366 2HG1 VAL 452 2HG1 VAL 452 -7.229 10.476 5.353 367 3HG1 VAL 452 3HG1 VAL 452 -7.689 12.082 5.920 368 1HG2 VAL 452 1HG2 VAL 452 -7.306 11.884 9.128 369 2HG2 VAL 452 2HG2 VAL 452 -6.857 10.196 9.351 370 3HG2 VAL 452 3HG2 VAL 452 -8.362 10.607 8.531 371 H GLU 453 H GLU 453 -5.726 8.160 9.231 372 HA GLU 453 HA GLU 453 -3.690 9.577 10.696 373 1HB GLU 453 2HB GLU 453 -5.435 7.205 11.228 374 2HB GLU 453 1HB GLU 453 -4.030 7.485 12.247 375 1HG GLU 453 2HG GLU 453 -4.965 9.241 13.285 376 2HG GLU 453 1HG GLU 453 -5.754 9.825 11.819 377 H GLU 454 H GLU 454 -3.980 6.406 9.133 378 HA GLU 454 HA GLU 454 -1.482 5.382 9.839 379 1HB GLU 454 2HB GLU 454 -2.918 4.873 7.233 380 2HB GLU 454 1HB GLU 454 -1.762 3.818 8.029 381 1HG GLU 454 2HG GLU 454 -3.469 3.831 9.977 382 2HG GLU 454 1HG GLU 454 -4.601 4.392 8.747 383 H SER 455 H SER 455 -2.413 7.573 7.260 384 HA SER 455 HA SER 455 0.038 7.472 5.836 385 1HB SER 455 2HB SER 455 -2.238 9.446 5.894 386 2HB SER 455 1HB SER 455 -0.803 9.714 4.904 387 HG SER 455 HG SER 455 -1.817 8.516 3.510 388 H GLU 456 H GLU 456 -0.980 9.148 8.688 389 HA GLU 456 HA GLU 456 1.104 11.138 8.574 390 1HB GLU 456 2HB GLU 456 -1.172 11.392 9.717 391 2HB GLU 456 1HB GLU 456 -0.510 10.397 11.008 392 1HG GLU 456 2HG GLU 456 0.763 12.058 11.815 393 2HG GLU 456 1HG GLU 456 1.155 12.680 10.214 394 H TRP 457 H TRP 457 0.634 7.989 10.014 395 HA TRP 457 HA TRP 457 2.856 8.124 11.798 396 1HB TRP 457 2HB TRP 457 1.565 5.631 10.684 397 2HB TRP 457 1HB TRP 457 2.479 5.782 12.179 398 HD1 TRP 457 HD TRP 457 0.815 8.595 12.941 399 HE1 TRP 457 1HE TRP 457 -1.519 8.285 13.978 400 HE3 TRP 457 3HE TRP 457 -0.107 3.793 11.447 401 HZ2 TRP 457 2HZ TRP 457 -3.491 6.270 14.147 402 HZ3 TRP 457 3HZ TRP 457 -2.242 2.749 12.086 403 HH2 TRP 457 HH TRP 457 -3.898 3.963 13.409 404 H VAL 458 H VAL 458 2.391 6.992 8.503 405 HA VAL 458 HA VAL 458 4.920 5.731 8.234 406 HB VAL 458 HB VAL 458 3.185 6.870 6.038 407 1HG1 VAL 458 1HG1 VAL 458 4.349 5.455 4.543 408 2HG1 VAL 458 2HG1 VAL 458 5.152 4.603 5.859 409 3HG1 VAL 458 3HG1 VAL 458 5.582 6.273 5.500 410 1HG2 VAL 458 1HG2 VAL 458 2.797 4.159 6.037 411 2HG2 VAL 458 2HG2 VAL 458 1.694 5.345 6.728 412 3HG2 VAL 458 3HG2 VAL 458 2.868 4.526 7.758 413 H LYS 459 H LYS 459 3.719 8.958 7.378 414 HA LYS 459 HA LYS 459 5.957 9.925 6.050 415 1HB LYS 459 2HB LYS 459 3.832 11.265 7.700 416 2HB LYS 459 1HB LYS 459 5.151 12.197 6.999 417 1HG LYS 459 2HG LYS 459 4.325 10.798 4.840 418 2HG LYS 459 1HG LYS 459 2.808 10.977 5.721 419 1HD LYS 459 2HD LYS 459 3.733 13.481 5.939 420 2HD LYS 459 1HD LYS 459 4.507 13.021 4.420 421 1HE LYS 459 2HE LYS 459 2.570 13.058 3.292 422 2HE LYS 459 1HE LYS 459 1.694 12.245 4.586 423 1HZ LYS 459 1HZ LYS 459 1.127 14.210 5.563 424 2HZ LYS 459 2HZ LYS 459 1.181 14.716 3.949 425 3HZ LYS 459 3HZ LYS 459 2.483 15.040 4.981 426 H ALA 460 H ALA 460 5.216 10.043 9.524 427 HA ALA 460 HA ALA 460 7.714 11.314 10.168 428 1HB ALA 460 1HB ALA 460 5.764 9.983 12.043 429 2HB ALA 460 2HB ALA 460 5.648 11.657 11.495 430 3HB ALA 460 3HB ALA 460 7.027 11.139 12.464 431 H GLY 461 H GLY 461 6.612 8.056 9.815 432 1HA GLY 461 2HA GLY 461 8.477 6.753 11.486 433 2HA GLY 461 1HA GLY 461 7.648 6.029 10.118 434 H VAL 462 H VAL 462 8.653 7.722 8.087 435 HA VAL 462 HA VAL 462 11.260 6.521 7.753 436 HB VAL 462 HB VAL 462 9.862 8.416 5.868 437 1HG1 VAL 462 1HG1 VAL 462 12.344 7.885 5.613 438 2HG1 VAL 462 2HG1 VAL 462 11.314 7.625 4.205 439 3HG1 VAL 462 3HG1 VAL 462 11.830 6.253 5.186 440 1HG2 VAL 462 1HG2 VAL 462 9.470 5.966 4.791 441 2HG2 VAL 462 2HG2 VAL 462 8.284 6.811 5.786 442 3HG2 VAL 462 3HG2 VAL 462 9.335 5.595 6.509 443 H GLN 463 H GLU 463 9.927 9.725 8.296 444 HA GLN 463 HA GLU 463 12.323 11.157 7.784 445 1HB GLN 463 2HB GLU 463 9.787 11.838 9.258 446 2HB GLN 463 1HB GLU 463 11.132 12.969 9.146 447 1HG GLN 463 2HG GLU 463 10.706 12.118 6.534 448 2HG GLN 463 1HG GLU 463 9.091 12.327 7.213 449 H LYS 464 H LYS 464 11.320 9.220 10.410 450 HA LYS 464 HA LYS 464 13.331 10.456 12.164 451 1HB LYS 464 2HB LYS 464 10.786 8.988 12.707 452 2HB LYS 464 1HB LYS 464 12.078 8.915 13.898 453 1HG LYS 464 2HG LYS 464 11.944 11.592 13.356 454 2HG LYS 464 1HG LYS 464 10.256 11.096 13.230 455 1HD LYS 464 2HD LYS 464 10.434 10.031 15.451 456 2HD LYS 464 1HD LYS 464 12.096 10.614 15.574 457 1HE LYS 464 2HE LYS 464 10.795 12.911 14.975 458 2HE LYS 464 1HE LYS 464 9.549 12.057 15.886 459 1HZ LYS 464 1HZ LYS 464 10.728 13.224 17.489 460 2HZ LYS 464 2HZ LYS 464 12.231 12.901 16.784 461 3HZ LYS 464 3HZ LYS 464 11.394 11.671 17.587 462 H TYR 465 H TYR 465 12.012 7.256 11.293 463 HA TYR 465 HA TYR 465 14.436 5.970 12.243 464 1HB TYR 465 2HB TYR 465 11.907 4.837 11.029 465 2HB TYR 465 1HB TYR 465 13.254 3.865 11.613 466 HD1 TYR 465 1HD TYR 465 13.823 3.907 14.053 467 HD2 TYR 465 2HD TYR 465 10.283 5.702 12.520 468 HE1 TYR 465 1HE TYR 465 12.857 3.917 16.315 469 HE2 TYR 465 2HE TYR 465 9.309 5.721 14.778 470 HH TYR 465 HH TYR 465 11.051 5.326 17.538 471 H GLY 466 H GLY 466 12.727 6.487 9.182 472 1HA GLY 466 2HA GLY 466 14.252 6.990 7.275 473 2HA GLY 466 1HA GLY 466 15.173 5.585 7.789 474 H GLU 467 H GLU 467 14.592 5.401 5.298 475 HA GLU 467 HA GLU 467 11.992 4.161 4.888 476 1HB GLU 467 2HB GLU 467 13.444 5.735 3.271 477 2HB GLU 467 1HB GLU 467 14.031 4.169 2.732 478 1HG GLU 467 2HG GLU 467 11.507 3.578 2.574 479 2HG GLU 467 1HG GLU 467 11.292 5.327 2.553 480 H GLY 468 H GLY 468 11.677 2.023 4.264 481 1HA GLY 468 2HA GLY 468 12.363 -0.176 3.737 482 2HA GLY 468 1HA GLY 468 13.996 0.240 4.230 483 H ASN 469 H ASN 469 12.592 1.494 6.714 484 HA ASN 469 HA ASN 469 12.562 -1.022 8.224 485 1HB ASN 469 2HB ASN 469 13.509 1.701 8.796 486 2HB ASN 469 1HB ASN 469 12.606 0.965 10.114 487 1HD2 ASN 469 1HD2 ASN 469 13.558 -0.539 11.342 488 2HD2 ASN 469 2HD2 ASN 469 15.146 -1.164 11.077 489 H TRP 470 H TRP 470 10.331 -1.274 7.306 490 HA TRP 470 HA TRP 470 8.274 0.422 8.427 491 1HB TRP 470 2HB TRP 470 7.805 -2.192 7.007 492 2HB TRP 470 1HB TRP 470 6.740 -0.795 7.106 493 HD1 TRP 470 HD TRP 470 8.745 -2.452 4.654 494 HE1 TRP 470 1HE TRP 470 9.508 -0.867 2.776 495 HE3 TRP 470 3HE TRP 470 7.789 2.028 6.929 496 HZ2 TRP 470 2HZ TRP 470 9.685 1.913 2.319 497 HZ3 TRP 470 3HZ TRP 470 8.284 4.102 5.702 498 HH2 TRP 470 HH TRP 470 9.212 4.044 3.444 499 H ALA 471 H ALA 471 9.693 -2.705 9.027 500 HA ALA 471 HA ALA 471 7.828 -3.940 10.624 501 1HB ALA 471 1HB ALA 471 10.824 -3.941 10.989 502 2HB ALA 471 2HB ALA 471 9.889 -5.035 9.968 503 3HB ALA 471 3HB ALA 471 9.706 -5.091 11.720 504 H ALA 472 H ALA 472 10.407 -1.751 11.759 505 HA ALA 472 HA ALA 472 9.587 -1.717 14.452 506 1HB ALA 472 1HB ALA 472 11.016 0.246 14.697 507 2HB ALA 472 2HB ALA 472 11.123 0.398 12.944 508 3HB ALA 472 3HB ALA 472 11.821 -1.006 13.753 509 H ILE 473 H ILE 473 8.804 0.422 11.739 510 HA ILE 473 HA ILE 473 7.390 2.378 13.131 511 HB ILE 473 HB ILE 473 6.830 1.365 10.337 512 1HG1 ILE 473 2HG1 ILE 473 8.531 3.721 11.169 513 2HG1 ILE 473 1HG1 ILE 473 9.196 2.124 10.839 514 1HG2 ILE 473 1HG2 ILE 473 5.317 3.114 11.830 515 2HG2 ILE 473 2HG2 ILE 473 5.334 3.002 10.071 516 3HG2 ILE 473 3HG2 ILE 473 6.354 4.185 10.889 517 1HD1 ILE 473 1HD1 ILE 473 9.115 4.002 9.000 518 2HD1 ILE 473 2HD1 ILE 473 7.481 3.377 8.768 519 3HD1 ILE 473 3HD1 ILE 473 8.869 2.304 8.594 520 H SER 474 H SER 474 6.224 -0.656 11.692 521 HA SER 474 HA SER 474 3.526 -0.236 12.573 522 1HB SER 474 2HB SER 474 4.177 -1.588 10.545 523 2HB SER 474 1HB SER 474 4.768 -2.834 11.646 524 HG SER 474 HG SER 474 2.680 -3.358 11.142 525 H LYS 475 H LYS 475 6.317 -1.166 14.175 526 HA LYS 475 HA LYS 475 4.898 -2.870 16.086 527 1HB LYS 475 2HB LYS 475 7.326 -3.227 15.005 528 2HB LYS 475 1HB LYS 475 7.790 -2.289 16.416 529 1HG LYS 475 2HG LYS 475 6.660 -3.923 17.858 530 2HG LYS 475 1HG LYS 475 6.245 -4.874 16.430 531 1HD LYS 475 2HD LYS 475 8.805 -4.812 15.973 532 2HD LYS 475 1HD LYS 475 8.919 -4.412 17.688 533 1HE LYS 475 2HE LYS 475 7.448 -6.456 18.087 534 2HE LYS 475 1HE LYS 475 7.801 -6.893 16.415 535 1HZ LYS 475 1HZ LYS 475 9.334 -7.990 17.873 536 2HZ LYS 475 2HZ LYS 475 9.777 -6.530 18.601 537 3HZ LYS 475 3HZ LYS 475 10.180 -6.823 16.986 538 H ASN 476 H ASN 476 5.849 0.362 15.687 539 HA ASN 476 HA ASN 476 5.697 0.815 18.593 540 1HB ASN 476 2HB ASN 476 7.787 1.484 17.039 541 2HB ASN 476 1HB ASN 476 6.813 2.940 16.854 542 1HD2 ASN 476 1HD2 ASN 476 6.165 4.058 18.803 543 2HD2 ASN 476 2HD2 ASN 476 7.187 3.998 20.193 544 H TYR 477 H TYR 477 4.254 1.498 15.542 545 HA TYR 477 HA TYR 477 2.725 3.730 16.654 546 1HB TYR 477 2HB TYR 477 3.238 2.744 13.877 547 2HB TYR 477 1HB TYR 477 1.807 3.716 14.195 548 HD1 TYR 477 1HD TYR 477 5.476 3.707 14.104 549 HD2 TYR 477 2HD TYR 477 1.989 6.060 14.747 550 HE1 TYR 477 1HE TYR 477 6.834 5.750 13.948 551 HE2 TYR 477 2HE TYR 477 3.339 8.111 14.592 552 HH TYR 477 HH TYR 477 6.055 8.566 15.054 553 HA PRO 478 HA PRO 478 -0.979 1.454 17.314 554 1HB PRO 478 2HB PRO 478 -2.901 3.196 16.514 555 2HB PRO 478 1HB PRO 478 -1.959 3.419 17.990 556 1HG PRO 478 2HG PRO 478 -1.577 4.667 15.299 557 2HG PRO 478 1HG PRO 478 -1.507 5.425 16.899 558 1HD PRO 478 2HD PRO 478 0.714 4.736 15.530 559 2HD PRO 478 1HD PRO 478 0.633 4.660 17.304 560 H PHE 479 H PHE 479 0.094 0.364 15.108 561 HA PHE 479 HA PHE 479 -1.765 0.548 12.888 562 1HB PHE 479 2HB PHE 479 0.816 -0.902 13.373 563 2HB PHE 479 1HB PHE 479 -0.232 -1.398 12.048 564 HD1 PHE 479 1HD PHE 479 1.961 1.223 13.331 565 HD2 PHE 479 2HD PHE 479 -0.582 0.038 10.133 566 HE1 PHE 479 1HE PHE 479 2.910 3.003 11.921 567 HE2 PHE 479 2HE PHE 479 0.363 1.813 8.716 568 HZ PHE 479 HZ PHE 479 2.112 3.299 9.611 569 H VAL 480 H VAL 480 -3.063 -1.180 12.143 570 HA VAL 480 HA VAL 480 -3.682 -3.171 14.221 571 HB VAL 480 HB VAL 480 -5.524 -2.224 12.025 572 1HG1 VAL 480 1HG1 VAL 480 -5.705 -4.212 14.196 573 2HG1 VAL 480 2HG1 VAL 480 -6.518 -4.157 12.632 574 3HG1 VAL 480 3HG1 VAL 480 -7.116 -3.179 13.972 575 1HG2 VAL 480 1HG2 VAL 480 -6.617 -1.245 14.287 576 2HG2 VAL 480 2HG2 VAL 480 -5.558 -0.315 13.226 577 3HG2 VAL 480 3HG2 VAL 480 -4.902 -1.087 14.670 578 H ASN 481 H ASN 481 -4.255 -2.928 10.709 579 HA ASN 481 HA ASN 481 -2.969 -5.552 10.397 580 1HB ASN 481 2HB ASN 481 -5.750 -4.812 9.827 581 2HB ASN 481 1HB ASN 481 -4.937 -5.586 8.470 582 1HD2 ASN 481 1HD2 ASN 481 -6.503 -6.045 11.414 583 2HD2 ASN 481 2HD2 ASN 481 -6.182 -7.732 11.606 584 H ARG 482 H ARG 482 -1.324 -3.717 9.870 585 HA ARG 482 HA ARG 482 -1.393 -3.339 6.955 586 1HB ARG 482 2HB ARG 482 -0.117 -1.294 8.741 587 2HB ARG 482 1HB ARG 482 -0.666 -1.122 7.079 588 1HG ARG 482 2HG ARG 482 -2.529 -1.514 9.409 589 2HG ARG 482 1HG ARG 482 -2.048 0.068 8.790 590 1HD ARG 482 2HD ARG 482 -3.088 -0.325 6.707 591 2HD ARG 482 1HD ARG 482 -3.279 -2.045 7.042 592 HE ARG 482 HE ARG 482 -4.668 -0.445 8.943 593 1HH1 ARG 482 1HH1 ARG 482 -4.858 -1.696 5.691 594 2HH1 ARG 482 2HH1 ARG 482 -6.589 -1.654 5.642 595 1HH2 ARG 482 1HH2 ARG 482 -6.945 -0.391 8.881 596 2HH2 ARG 482 2HH2 ARG 482 -7.774 -0.911 7.451 597 H THR 483 H THR 483 -0.054 -5.165 6.727 598 HA THR 483 HA THR 483 2.356 -5.571 8.112 599 HB THR 483 HB THR 483 2.881 -6.885 5.862 600 HG1 THR 483 1HG THR 483 0.913 -7.461 4.855 601 1HG2 THR 483 1HG2 THR 483 2.353 -7.944 8.020 602 2HG2 THR 483 2HG2 THR 483 1.644 -8.788 6.643 603 3HG2 THR 483 3HG2 THR 483 0.636 -7.758 7.661 604 H ALA 484 H ALA 484 4.528 -5.655 6.927 605 HA ALA 484 HA ALA 484 5.279 -3.018 6.258 606 1HB ALA 484 1HB ALA 484 6.837 -4.608 7.277 607 2HB ALA 484 2HB ALA 484 7.485 -3.939 5.780 608 3HB ALA 484 3HB ALA 484 6.820 -5.572 5.798 609 H VAL 485 H VAL 485 4.080 -5.623 4.348 610 HA VAL 485 HA VAL 485 5.174 -4.838 1.846 611 HB VAL 485 HB VAL 485 2.650 -6.418 2.363 612 1HG1 VAL 485 1HG1 VAL 485 4.313 -5.921 -0.077 613 2HG1 VAL 485 2HG1 VAL 485 2.563 -5.828 0.117 614 3HG1 VAL 485 3HG1 VAL 485 3.364 -7.399 0.083 615 1HG2 VAL 485 1HG2 VAL 485 4.576 -8.212 1.617 616 2HG2 VAL 485 2HG2 VAL 485 4.055 -7.909 3.275 617 3HG2 VAL 485 3HG2 VAL 485 5.484 -7.093 2.635 618 H MET 486 H MET 486 2.164 -4.094 3.541 619 HA MET 486 HA MET 486 0.944 -2.681 1.410 620 1HB MET 486 2HB MET 486 0.499 -2.729 4.385 621 2HB MET 486 1HB MET 486 -0.417 -1.653 3.340 622 1HG MET 486 2HG MET 486 -0.776 -3.963 2.031 623 2HG MET 486 1HG MET 486 -0.580 -4.576 3.673 624 1HE MET 486 1HE MET 486 -2.724 -4.744 1.582 625 2HE MET 486 2HE MET 486 -4.115 -3.664 1.685 626 3HE MET 486 3HE MET 486 -3.993 -5.051 2.769 627 H ILE 487 H ILE 487 2.641 -1.537 4.328 628 HA ILE 487 HA ILE 487 2.535 1.187 3.829 629 HB ILE 487 HB ILE 487 4.788 -0.335 5.149 630 1HG1 ILE 487 2HG1 ILE 487 2.762 1.106 6.755 631 2HG1 ILE 487 1HG1 ILE 487 2.192 -0.341 5.928 632 1HG2 ILE 487 1HG2 ILE 487 4.616 2.100 6.387 633 2HG2 ILE 487 2HG2 ILE 487 4.311 2.510 4.701 634 3HG2 ILE 487 3HG2 ILE 487 5.791 1.662 5.147 635 1HD1 ILE 487 1HD1 ILE 487 4.434 -0.141 7.919 636 2HD1 ILE 487 2HD1 ILE 487 4.067 -1.592 6.986 637 3HD1 ILE 487 3HD1 ILE 487 2.880 -0.950 8.122 638 H LYS 488 H LYS 488 4.721 -1.244 2.543 639 HA LYS 488 HA LYS 488 6.600 0.531 1.398 640 1HB LYS 488 2HB LYS 488 7.042 -1.869 1.795 641 2HB LYS 488 1HB LYS 488 5.882 -2.277 0.539 642 1HG LYS 488 2HG LYS 488 7.993 -2.455 -0.466 643 2HG LYS 488 1HG LYS 488 7.323 -0.927 -1.045 644 1HD LYS 488 2HD LYS 488 8.616 -0.087 1.174 645 2HD LYS 488 1HD LYS 488 9.640 -1.444 0.705 646 1HE LYS 488 2HE LYS 488 9.666 -0.446 -1.621 647 2HE LYS 488 1HE LYS 488 8.930 0.992 -0.912 648 1HZ LYS 488 1HZ LYS 488 10.869 1.028 0.653 649 2HZ LYS 488 2HZ LYS 488 11.245 1.361 -0.963 650 3HZ LYS 488 3HZ LYS 488 11.592 -0.162 -0.310 651 H ASP 489 H ASP 489 3.574 -0.835 0.250 652 HA ASP 489 HA ASP 489 3.828 -0.107 -2.460 653 1HB ASP 489 2HB ASP 489 1.637 -0.972 -0.670 654 2HB ASP 489 1HB ASP 489 1.145 -0.063 -2.096 655 H ARG 490 H ARG 490 2.241 1.540 0.265 656 HA ARG 490 HA ARG 490 1.281 3.751 -1.131 657 1HB ARG 490 2HB ARG 490 1.340 2.908 1.523 658 2HB ARG 490 1HB ARG 490 2.188 4.448 1.539 659 1HG ARG 490 2HG ARG 490 -0.107 4.805 -0.055 660 2HG ARG 490 1HG ARG 490 -0.614 3.934 1.395 661 1HD ARG 490 2HD ARG 490 0.982 5.789 2.508 662 2HD ARG 490 1HD ARG 490 0.434 6.681 1.091 663 HE ARG 490 HE ARG 490 -1.118 5.972 3.398 664 1HH1 ARG 490 1HH1 ARG 490 -1.261 6.744 -0.002 665 2HH1 ARG 490 2HH1 ARG 490 -2.909 7.278 0.060 666 1HH2 ARG 490 1HH2 ARG 490 -3.284 6.674 3.482 667 2HH2 ARG 490 2HH2 ARG 490 -4.056 7.239 2.039 668 H TRP 491 H TRP 491 4.339 3.429 0.672 669 HA TRP 491 HA TRP 491 5.348 5.970 0.113 670 1HB TRP 491 2HB TRP 491 6.211 4.045 1.691 671 2HB TRP 491 1HB TRP 491 7.202 3.628 0.296 672 HD1 TRP 491 HD TRP 491 9.531 4.644 0.476 673 HE1 TRP 491 1HE TRP 491 10.543 6.806 1.438 674 HE3 TRP 491 3HE TRP 491 5.257 6.830 2.237 675 HZ2 TRP 491 2HZ TRP 491 9.647 9.129 2.767 676 HZ3 TRP 491 3HZ TRP 491 5.421 9.023 3.340 677 HH2 TRP 491 HH TRP 491 7.572 10.147 3.599 678 H ARG 492 H ARG 492 5.627 2.949 -1.704 679 HA ARG 492 HA ARG 492 7.443 3.853 -3.649 680 1HB ARG 492 2HB ARG 492 6.293 1.462 -3.085 681 2HB ARG 492 1HB ARG 492 5.392 1.914 -4.523 682 1HG ARG 492 2HG ARG 492 7.535 2.226 -5.720 683 2HG ARG 492 1HG ARG 492 8.380 1.653 -4.281 684 1HD ARG 492 2HD ARG 492 8.120 -0.431 -5.004 685 2HD ARG 492 1HD ARG 492 6.375 -0.240 -4.834 686 HE ARG 492 HE ARG 492 6.200 -0.002 -7.113 687 1HH1 ARG 492 1HH1 ARG 492 9.561 0.193 -6.187 688 2HH1 ARG 492 2HH1 ARG 492 10.142 0.106 -7.816 689 1HH2 ARG 492 1HH2 ARG 492 6.964 -0.116 -9.253 690 2HH2 ARG 492 2HH2 ARG 492 8.670 -0.069 -9.556 691 H THR 493 H THR 493 3.891 3.733 -3.672 692 HA THR 493 HA THR 493 3.535 4.814 -6.238 693 HB THR 493 HB THR 493 1.693 4.969 -3.844 694 HG1 THR 493 1HG THR 493 0.826 3.081 -4.652 695 1HG2 THR 493 1HG2 THR 493 0.993 6.498 -5.617 696 2HG2 THR 493 2HG2 THR 493 -0.124 5.146 -5.430 697 3HG2 THR 493 3HG2 THR 493 1.023 5.165 -6.769 698 H MET 494 H MET 494 4.159 6.315 -3.151 699 HA MET 494 HA MET 494 3.443 8.962 -4.047 700 1HB MET 494 2HB MET 494 4.450 7.746 -1.535 701 2HB MET 494 1HB MET 494 4.823 9.442 -1.796 702 1HG MET 494 2HG MET 494 2.175 9.361 -2.412 703 2HG MET 494 1HG MET 494 2.287 8.146 -1.140 704 1HE MET 494 1HE MET 494 2.951 8.549 1.250 705 2HE MET 494 2HE MET 494 1.281 9.080 1.041 706 3HE MET 494 3HE MET 494 2.401 10.043 2.008 707 H LYS 495 H LYS 495 6.332 7.016 -3.853 708 HA LYS 495 HA LYS 495 8.060 9.286 -4.423 709 1HB LYS 495 2HB LYS 495 8.477 7.022 -2.995 710 2HB LYS 495 1HB LYS 495 9.171 6.551 -4.542 711 1HG LYS 495 2HG LYS 495 10.669 8.446 -4.486 712 2HG LYS 495 1HG LYS 495 9.927 9.019 -2.992 713 1HD LYS 495 2HD LYS 495 10.657 6.987 -1.845 714 2HD LYS 495 1HD LYS 495 11.388 6.403 -3.342 715 1HE LYS 495 2HE LYS 495 12.540 8.843 -3.131 716 2HE LYS 495 1HE LYS 495 12.336 8.428 -1.429 717 1HZ LYS 495 1HZ LYS 495 13.820 6.904 -3.494 718 2HZ LYS 495 2HZ LYS 495 13.446 6.271 -1.970 719 3HZ LYS 495 3HZ LYS 495 14.442 7.632 -2.099 720 H ARG 496 H ARG 496 6.223 7.070 -6.195 721 HA ARG 496 HA ARG 496 8.013 7.060 -8.491 722 1HB ARG 496 2HB ARG 496 6.288 5.181 -7.604 723 2HB ARG 496 1HB ARG 496 5.262 6.000 -8.773 724 1HG ARG 496 2HG ARG 496 7.501 5.706 -10.236 725 2HG ARG 496 1HG ARG 496 7.619 4.290 -9.187 726 1HD ARG 496 2HD ARG 496 5.308 3.677 -9.837 727 2HD ARG 496 1HD ARG 496 5.294 5.036 -10.959 728 HE ARG 496 HE ARG 496 7.488 3.219 -11.359 729 1HH1 ARG 496 1HH1 ARG 496 4.155 3.901 -12.137 730 2HH1 ARG 496 2HH1 ARG 496 4.184 2.997 -13.613 731 1HH2 ARG 496 1HH2 ARG 496 7.528 2.031 -13.301 732 2HH2 ARG 496 2HH2 ARG 496 6.097 1.934 -14.274 733 H LEU 497 H LEU 497 4.945 8.465 -7.482 734 HA LEU 497 HA LEU 497 5.130 10.310 -9.758 735 1HB LEU 497 2HB LEU 497 2.982 8.431 -9.138 736 2HB LEU 497 1HB LEU 497 2.413 10.082 -9.310 737 HG LEU 497 HG LEU 497 4.210 9.431 -11.469 738 1HD1 LEU 497 1HD1 LEU 497 3.397 7.529 -12.367 739 2HD1 LEU 497 2HD1 LEU 497 1.771 7.795 -11.737 740 3HD1 LEU 497 3HD1 LEU 497 3.030 7.153 -10.684 741 1HD2 LEU 497 1HD2 LEU 497 2.833 11.132 -12.030 742 2HD2 LEU 497 2HD2 LEU 497 1.504 10.532 -11.038 743 3HD2 LEU 497 3HD2 LEU 497 1.818 9.817 -12.621 744 H GLY 498 H GLY 498 6.135 11.610 -8.028 745 1HA GLY 498 2HA GLY 498 4.546 13.655 -7.129 746 2HA GLY 498 1HA GLY 498 4.544 12.489 -5.814 747 H MET 499 H MET 499 6.839 11.676 -5.255 748 HA MET 499 HA MET 499 8.394 14.013 -4.613 749 1HB MET 499 2HB MET 499 8.775 11.081 -3.996 750 2HB MET 499 1HB MET 499 9.878 12.337 -3.451 751 1HG MET 499 2HG MET 499 7.522 13.338 -2.590 752 2HG MET 499 1HG MET 499 7.204 11.609 -2.478 753 1HE MET 499 1HE MET 499 7.451 14.161 -0.687 754 2HE MET 499 2HE MET 499 9.065 14.488 -0.050 755 3HE MET 499 3HE MET 499 7.941 13.483 0.866 756 H ASN 500 H ASN 500 8.243 12.084 -7.299 757 HA ASN 500 HA ASN 500 10.986 12.817 -8.057 758 1HB ASN 500 2HB ASN 500 10.022 10.164 -7.683 759 2HB ASN 500 1HB ASN 500 10.272 10.401 -9.409 760 1HD2 ASN 500 1HD2 ASN 500 11.731 9.870 -6.393 761 2HD2 ASN 500 2HD2 ASN 500 13.379 9.942 -6.906
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