NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
622394 | 5xv8 | 36101 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 390 2HT ARG 390 11.386 34.051 -7.480 2 HA ARG 390 HA ARG 390 12.012 34.509 -4.645 3 HB2 ARG 390 2HB ARG 390 9.530 35.081 -5.845 4 HB3 ARG 390 1HB ARG 390 9.330 33.514 -5.069 5 HG2 ARG 390 2HG ARG 390 8.732 35.506 -3.663 6 HG3 ARG 390 1HG ARG 390 9.896 34.393 -2.940 7 HD2 ARG 390 2HD ARG 390 11.722 35.850 -3.507 8 HD3 ARG 390 1HD ARG 390 10.649 36.910 -4.418 9 HE ARG 390 HE ARG 390 9.580 37.437 -2.245 10 HH11 ARG 390 1HH1 ARG 390 12.816 36.092 -2.258 11 HH12 ARG 390 2HH1 ARG 390 13.291 36.894 -0.794 12 HH21 ARG 390 1HH2 ARG 390 10.201 38.483 -0.298 13 HH22 ARG 390 2HH2 ARG 390 11.800 38.246 0.327 14 H ARG 391 H ARG 391 11.667 32.570 -3.411 15 HA ARG 391 HA ARG 391 11.738 30.356 -2.973 16 HB2 ARG 391 2HB ARG 391 10.372 30.378 -5.531 17 HB3 ARG 391 1HB ARG 391 11.377 28.947 -5.349 18 HG2 ARG 391 2HG ARG 391 9.224 28.390 -4.540 19 HG3 ARG 391 1HG ARG 391 10.270 28.563 -3.132 20 HD2 ARG 391 2HD ARG 391 8.434 30.723 -4.165 21 HD3 ARG 391 1HD ARG 391 8.016 29.601 -2.871 22 HE ARG 391 HE ARG 391 10.371 31.346 -2.616 23 HH11 ARG 391 1HH1 ARG 391 7.233 30.309 -1.471 24 HH12 ARG 391 2HH1 ARG 391 7.342 31.198 0.011 25 HH21 ARG 391 1HH2 ARG 391 10.531 32.524 -0.700 26 HH22 ARG 391 2HH2 ARG 391 9.232 32.463 0.459 27 H ARG 392 H ARG 392 13.008 30.501 -6.321 28 HA ARG 392 HA ARG 392 15.294 28.963 -5.495 29 HB2 ARG 392 2HB ARG 392 14.207 28.809 -7.775 30 HB3 ARG 392 1HB ARG 392 14.935 30.366 -8.142 31 HG2 ARG 392 2HG ARG 392 16.202 28.415 -9.012 32 HG3 ARG 392 1HG ARG 392 17.139 29.465 -7.950 33 HD2 ARG 392 2HD ARG 392 15.752 27.003 -6.923 34 HD3 ARG 392 1HD ARG 392 17.364 26.931 -7.630 35 HE ARG 392 HE ARG 392 17.669 28.855 -5.791 36 HH11 ARG 392 1HH1 ARG 392 16.268 25.649 -5.574 37 HH12 ARG 392 2HH1 ARG 392 16.598 25.482 -3.879 38 HH21 ARG 392 1HH2 ARG 392 18.089 28.634 -3.551 39 HH22 ARG 392 2HH2 ARG 392 17.639 27.166 -2.735 40 H THR 393 H THR 393 14.487 32.237 -5.494 41 HA THR 393 HA THR 393 17.230 33.185 -5.671 42 HB THR 393 HB THR 393 16.045 35.416 -5.055 43 HG1 THR 393 1HG THR 393 14.062 34.485 -4.391 44 HG21 THR 393 1HG2 THR 393 15.432 34.026 -7.668 45 HG22 THR 393 2HG2 THR 393 16.919 34.894 -7.286 46 HG23 THR 393 3HG2 THR 393 15.391 35.768 -7.391 47 H GLU 394 H GLU 394 15.367 31.747 -3.398 48 HA GLU 394 HA GLU 394 16.519 33.256 -1.162 49 HB2 GLU 394 2HB GLU 394 14.115 31.455 -1.381 50 HB3 GLU 394 1HB GLU 394 14.839 31.818 0.179 51 HG2 GLU 394 2HG GLU 394 13.350 33.494 0.177 52 HG3 GLU 394 1HG GLU 394 14.575 34.307 -0.792 53 H ALA 395 H ALA 395 17.022 31.759 0.769 54 HA ALA 395 HA ALA 395 18.969 29.845 -0.144 55 HB1 ALA 395 1HB ALA 395 19.475 31.366 1.704 56 HB2 ALA 395 2HB ALA 395 19.606 29.679 2.204 57 HB3 ALA 395 3HB ALA 395 18.192 30.628 2.663 58 H LEU 396 H LEU 396 16.564 28.902 -0.943 59 HA LEU 396 HA LEU 396 15.618 26.971 1.012 60 HB2 LEU 396 2HB LEU 396 14.731 27.584 -1.807 61 HB3 LEU 396 1HB LEU 396 14.008 26.341 -0.804 62 HG LEU 396 HG LEU 396 13.992 29.311 -0.260 63 HD11 LEU 396 1HD1 LEU 396 11.573 29.089 -0.559 64 HD12 LEU 396 2HD1 LEU 396 11.783 27.387 -0.970 65 HD13 LEU 396 3HD1 LEU 396 12.456 28.636 -2.019 66 HD21 LEU 396 1HD2 LEU 396 14.168 28.141 1.836 67 HD22 LEU 396 2HD2 LEU 396 12.897 27.015 1.359 68 HD23 LEU 396 3HD2 LEU 396 12.512 28.715 1.637 69 H GLY 397 H GLY 397 16.980 25.336 1.293 70 HA2 GLY 397 2HA GLY 397 17.537 23.608 -1.000 71 HA3 GLY 397 1HA GLY 397 18.917 24.195 -0.075 72 H ASP 398 H ASP 398 17.979 21.424 -0.391 73 HA ASP 398 HA ASP 398 17.812 20.805 2.447 74 HB2 ASP 398 2HB ASP 398 15.514 20.708 2.049 75 HB3 ASP 398 1HB ASP 398 15.722 20.062 0.425 76 H ALA 399 H ALA 399 18.667 18.918 3.033 77 HA ALA 399 HA ALA 399 19.289 16.784 1.263 78 HB1 ALA 399 1HB ALA 399 21.605 18.379 2.360 79 HB2 ALA 399 2HB ALA 399 21.134 18.287 0.663 80 HB3 ALA 399 3HB ALA 399 21.720 16.846 1.494 81 H GLU 400 H GLU 400 18.073 17.641 3.899 82 HA GLU 400 HA GLU 400 19.044 15.377 5.414 83 HB2 GLU 400 2HB GLU 400 19.698 18.135 6.161 84 HB3 GLU 400 1HB GLU 400 18.997 17.179 7.461 85 HG2 GLU 400 2HG GLU 400 21.497 16.620 5.895 86 HG3 GLU 400 1HG GLU 400 21.343 16.945 7.620 87 H GLU 401 H GLU 401 16.506 16.828 4.204 88 HA GLU 401 HA GLU 401 14.726 16.909 6.452 89 HB2 GLU 401 2HB GLU 401 14.599 17.928 3.953 90 HB3 GLU 401 1HB GLU 401 13.651 16.469 3.716 91 HG2 GLU 401 2HG GLU 401 13.087 18.465 5.888 92 HG3 GLU 401 1HG GLU 401 12.360 18.540 4.283 93 H ASP 402 H ASP 402 15.271 14.879 7.392 94 HA ASP 402 HA ASP 402 14.782 12.430 5.977 95 HB2 ASP 402 2HB ASP 402 16.321 13.085 8.131 96 HB3 ASP 402 1HB ASP 402 14.953 12.291 8.908 97 H GLU 403 H GLU 403 13.316 10.796 6.685 98 HA GLU 403 HA GLU 403 10.654 11.825 7.008 99 HB2 GLU 403 2HB GLU 403 11.883 9.151 6.506 100 HB3 GLU 403 1HB GLU 403 10.224 9.224 7.075 101 HG2 GLU 403 2HG GLU 403 10.534 9.071 4.593 102 HG3 GLU 403 1HG GLU 403 9.509 10.386 5.162 103 H ASP 404 H ASP 404 9.395 11.844 8.783 104 HA ASP 404 HA ASP 404 10.458 11.437 11.359 105 HB2 ASP 404 2HB ASP 404 7.522 11.315 10.619 106 HB3 ASP 404 1HB ASP 404 8.205 11.728 12.185 107 H ASP 405 H ASP 405 10.536 9.614 12.604 108 HA ASP 405 HA ASP 405 9.486 7.179 11.336 109 HB2 ASP 405 2HB ASP 405 11.736 7.547 13.329 110 HB3 ASP 405 1HB ASP 405 11.116 5.973 12.840 111 H GLU 406 H GLU 406 8.668 9.359 13.584 112 HA GLU 406 HA GLU 406 7.198 7.334 15.110 113 HB2 GLU 406 2HB GLU 406 7.197 9.195 16.956 114 HB3 GLU 406 1HB GLU 406 8.553 8.093 16.808 115 HG2 GLU 406 2HG GLU 406 9.080 10.526 17.189 116 HG3 GLU 406 1HG GLU 406 9.926 9.729 15.869 117 H ASP 407 H ASP 407 5.383 8.534 16.383 118 HA ASP 407 HA ASP 407 3.376 9.436 16.279 119 HB2 ASP 407 2HB ASP 407 4.690 11.521 16.341 120 HB3 ASP 407 1HB ASP 407 4.593 11.578 14.585 121 H PHE 408 H PHE 408 3.122 7.421 14.939 122 HA PHE 408 HA PHE 408 1.696 8.198 12.490 123 HB2 PHE 408 2HB PHE 408 3.351 5.687 12.946 124 HB3 PHE 408 1HB PHE 408 2.176 5.841 11.662 125 HD1 PHE 408 1HD PHE 408 5.229 7.522 12.997 126 HD2 PHE 408 2HD PHE 408 2.847 6.576 9.608 127 HE1 PHE 408 1HE PHE 408 6.912 8.533 11.528 128 HE2 PHE 408 2HE PHE 408 4.525 7.590 8.138 129 HZ PHE 408 HZ PHE 408 6.549 8.581 9.103 130 H VAL 409 H VAL 409 -0.337 7.729 12.582 131 HA VAL 409 HA VAL 409 -1.317 6.353 14.923 132 HB VAL 409 HB VAL 409 -3.555 7.193 13.969 133 HG11 VAL 409 1HG1 VAL 409 -2.263 8.165 15.773 134 HG12 VAL 409 2HG1 VAL 409 -3.025 9.409 14.777 135 HG13 VAL 409 3HG1 VAL 409 -1.306 9.051 14.588 136 HG21 VAL 409 1HG2 VAL 409 -2.901 7.599 11.692 137 HG22 VAL 409 2HG2 VAL 409 -1.648 8.713 12.239 138 HG23 VAL 409 3HG2 VAL 409 -3.350 9.110 12.482 139 H GLU 410 H GLU 410 -1.807 4.344 14.937 140 HA GLU 410 HA GLU 410 -1.267 2.676 12.830 141 HB2 GLU 410 2HB GLU 410 -1.497 2.073 15.291 142 HB3 GLU 410 1HB GLU 410 -3.225 1.923 14.986 143 HG2 GLU 410 2HG GLU 410 -2.863 -0.155 14.313 144 HG3 GLU 410 1HG GLU 410 -1.982 0.502 12.935 145 H VAL 411 H VAL 411 -2.293 1.963 11.174 146 HA VAL 411 HA VAL 411 -5.055 2.798 10.707 147 HB VAL 411 HB VAL 411 -3.109 1.886 8.570 148 HG11 VAL 411 1HG1 VAL 411 -5.547 3.667 8.525 149 HG12 VAL 411 2HG1 VAL 411 -5.519 1.972 8.042 150 HG13 VAL 411 3HG1 VAL 411 -4.590 3.164 7.132 151 HG21 VAL 411 1HG2 VAL 411 -3.527 4.663 9.582 152 HG22 VAL 411 2HG2 VAL 411 -2.592 4.188 8.164 153 HG23 VAL 411 3HG2 VAL 411 -2.075 3.682 9.772 154 HA PRO 412 HA PRO 412 -5.841 -1.616 11.325 155 HB2 PRO 412 2HB PRO 412 -8.506 -1.348 11.520 156 HB3 PRO 412 1HB PRO 412 -7.436 -0.822 12.829 157 HG2 PRO 412 2HG PRO 412 -8.647 0.826 10.619 158 HG3 PRO 412 1HG PRO 412 -8.666 1.141 12.366 159 HD2 PRO 412 2HD PRO 412 -6.891 2.326 10.757 160 HD3 PRO 412 1HD PRO 412 -6.444 1.800 12.394 161 H GLU 413 H GLU 413 -7.392 -3.170 10.207 162 HA GLU 413 HA GLU 413 -7.428 -2.574 7.346 163 HB2 GLU 413 2HB GLU 413 -7.987 -5.013 7.129 164 HB3 GLU 413 1HB GLU 413 -6.433 -4.674 7.880 165 HG2 GLU 413 2HG GLU 413 -8.749 -5.015 9.685 166 HG3 GLU 413 1HG GLU 413 -8.160 -6.451 8.848 167 H LYS 414 H LYS 414 -9.318 -3.112 6.025 168 HA LYS 414 HA LYS 414 -11.819 -2.535 7.470 169 HB2 LYS 414 2HB LYS 414 -11.916 -2.420 4.548 170 HB3 LYS 414 1HB LYS 414 -12.533 -1.287 5.738 171 HG2 LYS 414 2HG LYS 414 -9.612 -1.409 5.343 172 HG3 LYS 414 1HG LYS 414 -10.592 -0.678 4.072 173 HD2 LYS 414 2HD LYS 414 -10.915 0.099 6.947 174 HD3 LYS 414 1HD LYS 414 -9.685 0.837 5.920 175 HE2 LYS 414 2HE LYS 414 -11.762 1.082 4.296 176 HE3 LYS 414 1HE LYS 414 -12.629 1.080 5.831 177 HZ1 LYS 414 1HZ LYS 414 -11.908 3.134 6.300 178 HZ2 LYS 414 2HZ LYS 414 -11.464 3.254 4.668 179 HZ3 LYS 414 3HZ LYS 414 -10.318 2.796 5.828 180 H GLU 415 H GLU 415 -10.451 -4.499 4.891 181 HA GLU 415 HA GLU 415 -10.983 -6.478 3.974 182 HB2 GLU 415 2HB GLU 415 -10.946 -7.337 6.267 183 HB3 GLU 415 1HB GLU 415 -12.626 -6.866 6.485 184 HG2 GLU 415 2HG GLU 415 -13.343 -8.767 5.608 185 HG3 GLU 415 1HG GLU 415 -12.349 -8.546 4.170 186 H GLY 416 H GLY 416 -14.059 -5.739 5.592 187 HA2 GLY 416 2HA GLY 416 -15.387 -6.010 2.974 188 HA3 GLY 416 1HA GLY 416 -16.166 -6.233 4.535 189 H TYR 417 H TYR 417 -14.710 -3.840 2.408 190 HA TYR 417 HA TYR 417 -16.688 -1.898 3.251 191 HB2 TYR 417 2HB TYR 417 -15.258 -0.962 4.734 192 HB3 TYR 417 1HB TYR 417 -13.873 -1.810 4.073 193 HD1 TYR 417 1HD TYR 417 -15.737 1.310 4.134 194 HD2 TYR 417 2HD TYR 417 -12.592 -0.807 2.203 195 HE1 TYR 417 1HE TYR 417 -14.877 3.425 3.215 196 HE2 TYR 417 2HE TYR 417 -11.730 1.296 1.277 197 HH TYR 417 HH TYR 417 -12.152 4.073 2.305 198 H GLU 418 H GLU 418 -16.984 -0.235 1.736 199 HA GLU 418 HA GLU 418 -15.443 -0.405 -0.745 200 HB2 GLU 418 2HB GLU 418 -17.788 -1.682 -0.640 201 HB3 GLU 418 1HB GLU 418 -18.404 -0.065 -0.945 202 HG2 GLU 418 2HG GLU 418 -16.215 -1.029 -2.687 203 HG3 GLU 418 1HG GLU 418 -17.799 -1.772 -2.888 204 HA PRO 419 HA PRO 419 -15.281 3.992 0.009 205 HB2 PRO 419 2HB PRO 419 -14.849 4.019 -2.942 206 HB3 PRO 419 1HB PRO 419 -13.900 4.782 -1.659 207 HG2 PRO 419 2HG PRO 419 -13.004 2.585 -2.855 208 HG3 PRO 419 1HG PRO 419 -12.813 2.798 -1.104 209 HD2 PRO 419 2HD PRO 419 -14.767 1.104 -2.606 210 HD3 PRO 419 1HD PRO 419 -13.909 0.764 -1.087 211 H HIS 420 H HIS 420 -16.921 2.753 -2.873 212 HA HIS 420 HA HIS 420 -18.825 3.336 -3.956 213 HB2 HIS 420 2HB HIS 420 -19.475 2.724 -1.422 214 HB3 HIS 420 1HB HIS 420 -20.083 4.375 -1.485 215 HD1 HIS 420 1HD HIS 420 -20.381 1.220 -3.630 216 HD2 HIS 420 2HD HIS 420 -22.603 4.517 -2.362 217 HE1 HIS 420 1HE HIS 420 -22.720 0.921 -4.570 218 H ILE 421 H ILE 421 -20.722 5.336 -2.960 219 HA ILE 421 HA ILE 421 -19.367 7.858 -3.293 220 HB ILE 421 HB ILE 421 -20.165 6.601 -5.579 221 HG12 ILE 421 2HG1 ILE 421 -20.507 9.505 -5.699 222 HG13 ILE 421 1HG1 ILE 421 -19.050 8.984 -4.856 223 HG21 ILE 421 1HG2 ILE 421 -22.526 6.674 -5.028 224 HG22 ILE 421 2HG2 ILE 421 -22.185 7.714 -6.410 225 HG23 ILE 421 3HG2 ILE 421 -22.443 8.422 -4.816 226 HD11 ILE 421 1HD1 ILE 421 -18.374 7.689 -6.793 227 HD12 ILE 421 2HD1 ILE 421 -18.637 9.379 -7.224 228 HD13 ILE 421 3HD1 ILE 421 -19.846 8.162 -7.639 229 HA PRO 422 HA PRO 422 -22.493 9.270 -0.528 230 HB2 PRO 422 2HB PRO 422 -23.154 11.666 -1.838 231 HB3 PRO 422 1HB PRO 422 -21.907 11.461 -0.609 232 HG2 PRO 422 2HG PRO 422 -21.655 11.536 -3.571 233 HG3 PRO 422 1HG PRO 422 -20.546 12.148 -2.330 234 HD2 PRO 422 2HD PRO 422 -20.026 9.890 -3.659 235 HD3 PRO 422 1HD PRO 422 -19.640 10.048 -1.932 236 H ASP 423 H ASP 423 -24.252 7.967 -0.715 237 HA ASP 423 HA ASP 423 -26.137 8.550 -2.888 238 HB2 ASP 423 2HB ASP 423 -25.483 6.211 -2.841 239 HB3 ASP 423 1HB ASP 423 -25.905 6.095 -1.136 240 H HIS 424 H HIS 424 -27.812 9.690 -2.413 241 HA HIS 424 HA HIS 424 -29.069 9.481 0.216 242 HB2 HIS 424 2HB HIS 424 -29.466 12.082 -0.091 243 HB3 HIS 424 1HB HIS 424 -28.003 11.480 0.676 244 HD1 HIS 424 1HD HIS 424 -29.148 13.565 -2.122 245 HD2 HIS 424 2HD HIS 424 -25.707 11.492 -1.075 246 HE1 HIS 424 1HE HIS 424 -27.285 14.496 -3.560 247 H LEU 425 H LEU 425 -29.530 8.495 -2.502 248 HA LEU 425 HA LEU 425 -32.129 9.779 -3.052 249 HB2 LEU 425 2HB LEU 425 -30.470 8.160 -4.984 250 HB3 LEU 425 1HB LEU 425 -31.894 9.115 -5.349 251 HG LEU 425 HG LEU 425 -29.282 10.292 -4.393 252 HD11 LEU 425 1HD1 LEU 425 -28.947 10.983 -6.718 253 HD12 LEU 425 2HD1 LEU 425 -30.377 10.065 -7.194 254 HD13 LEU 425 3HD1 LEU 425 -28.963 9.228 -6.552 255 HD21 LEU 425 1HD2 LEU 425 -30.250 12.396 -5.188 256 HD22 LEU 425 2HD2 LEU 425 -31.232 11.672 -3.917 257 HD23 LEU 425 3HD2 LEU 425 -31.744 11.554 -5.601 258 H ARG 426 H ARG 426 -32.275 8.123 -1.061 259 HA ARG 426 HA ARG 426 -32.694 5.380 -1.877 260 HB2 ARG 426 2HB ARG 426 -33.120 6.816 0.748 261 HB3 ARG 426 1HB ARG 426 -33.427 5.102 0.512 262 HG2 ARG 426 2HG ARG 426 -30.744 6.322 -0.033 263 HG3 ARG 426 1HG ARG 426 -31.217 5.764 1.572 264 HD2 ARG 426 2HD ARG 426 -30.386 3.792 0.901 265 HD3 ARG 426 1HD ARG 426 -31.913 3.635 0.031 266 HE ARG 426 HE ARG 426 -29.431 4.677 -1.202 267 HH11 ARG 426 1HH1 ARG 426 -32.396 2.792 -1.341 268 HH12 ARG 426 2HH1 ARG 426 -32.119 2.272 -2.973 269 HH21 ARG 426 1HH2 ARG 426 -29.069 4.024 -3.305 270 HH22 ARG 426 2HH2 ARG 426 -30.210 2.983 -4.109 271 HA PRO 427 HA PRO 427 -37.018 6.418 -2.682 272 HB2 PRO 427 2HB PRO 427 -37.536 4.389 -4.353 273 HB3 PRO 427 1HB PRO 427 -36.573 5.779 -4.868 274 HG2 PRO 427 2HG PRO 427 -35.686 3.043 -4.084 275 HG3 PRO 427 1HG PRO 427 -35.047 4.114 -5.342 276 HD2 PRO 427 2HD PRO 427 -33.951 3.760 -2.805 277 HD3 PRO 427 1HD PRO 427 -33.614 5.119 -3.894 278 H GLU 428 H GLU 428 -36.022 4.959 -0.359 279 HA GLU 428 HA GLU 428 -38.264 3.102 0.050 280 HB2 GLU 428 2HB GLU 428 -35.473 2.829 1.194 281 HB3 GLU 428 1HB GLU 428 -36.821 1.745 1.499 282 HG2 GLU 428 2HG GLU 428 -35.880 0.517 -0.114 283 HG3 GLU 428 1HG GLU 428 -36.713 1.634 -1.192 284 H TYR 429 H TYR 429 -38.165 5.936 0.609 285 HA TYR 429 HA TYR 429 -37.609 6.280 3.412 286 HB2 TYR 429 2HB TYR 429 -39.017 8.052 1.409 287 HB3 TYR 429 1HB TYR 429 -38.720 8.515 3.081 288 HD1 TYR 429 1HD TYR 429 -37.707 9.644 0.265 289 HD2 TYR 429 2HD TYR 429 -35.960 7.334 3.383 290 HE1 TYR 429 1HE TYR 429 -35.481 10.469 -0.378 291 HE2 TYR 429 2HE TYR 429 -33.731 8.154 2.748 292 HH TYR 429 HH TYR 429 -33.290 10.707 0.441 293 H GLY 430 H GLY 430 -40.408 5.531 1.464 294 HA2 GLY 430 2HA GLY 430 -42.219 4.280 2.437 295 HA3 GLY 430 1HA GLY 430 -41.914 5.097 3.965 296 H LEU 431 H LEU 431 -41.690 7.202 1.369 297 HA LEU 431 HA LEU 431 -44.455 8.132 1.813 298 HB2 LEU 431 2HB LEU 431 -42.001 9.781 1.181 299 HB3 LEU 431 1HB LEU 431 -43.629 10.409 1.347 300 HG LEU 431 HG LEU 431 -42.090 9.064 3.569 301 HD11 LEU 431 1HD1 LEU 431 -41.034 11.164 2.934 302 HD12 LEU 431 2HD1 LEU 431 -41.830 11.305 4.501 303 HD13 LEU 431 3HD1 LEU 431 -42.585 11.995 3.063 304 HD21 LEU 431 1HD2 LEU 431 -44.673 10.619 3.580 305 HD22 LEU 431 2HD2 LEU 431 -43.849 9.976 5.000 306 HD23 LEU 431 3HD2 LEU 431 -44.512 8.875 3.790 307 H GLU 432 H GLU 432 -42.425 6.710 -0.312 308 HA GLU 432 HA GLU 432 -43.147 8.038 -2.743 309 HB2 GLU 432 2HB GLU 432 -41.901 5.318 -2.283 310 HB3 GLU 432 1HB GLU 432 -41.979 6.159 -3.825 311 HG2 GLU 432 2HG GLU 432 -39.845 6.643 -3.176 312 HG3 GLU 432 1HG GLU 432 -40.708 8.040 -2.538 313 H ALA 433 H ALA 433 -45.500 7.928 -2.160 314 HA ALA 433 HA ALA 433 -46.669 5.450 -3.252 315 HB1 ALA 433 1HB ALA 433 -48.579 5.730 -1.757 316 HB2 ALA 433 2HB ALA 433 -47.829 7.162 -1.052 317 HB3 ALA 433 3HB ALA 433 -47.081 5.579 -0.840 318 H ALA 434 H ALA 434 -45.930 8.315 -4.165 319 HA ALA 434 HA ALA 434 -48.125 8.629 -5.969 320 HB1 ALA 434 1HB ALA 434 -48.660 10.950 -5.327 321 HB2 ALA 434 2HB ALA 434 -47.618 10.788 -3.914 322 HB3 ALA 434 3HB ALA 434 -49.074 9.802 -4.054 323 H MET 1 2HT MET 1 10.584 -9.842 -10.910 324 HA MET 1 HA MET 1 11.936 -10.148 -8.872 325 HB2 MET 1 2HB MET 1 12.895 -12.337 -9.573 326 HB3 MET 1 1HB MET 1 13.811 -11.511 -10.824 327 HG2 MET 1 2HG MET 1 15.085 -12.072 -8.744 328 HG3 MET 1 1HG MET 1 15.144 -10.380 -9.235 329 HE1 MET 1 1HE MET 1 15.985 -11.487 -6.401 330 HE2 MET 1 2HE MET 1 15.224 -10.374 -5.265 331 HE3 MET 1 3HE MET 1 16.034 -9.749 -6.702 332 H ALA 2 H ALA 2 13.334 -8.440 -8.453 333 HA ALA 2 HA ALA 2 14.277 -6.404 -8.756 334 HB1 ALA 2 1HB ALA 2 15.113 -7.531 -11.430 335 HB2 ALA 2 2HB ALA 2 16.011 -7.675 -9.918 336 HB3 ALA 2 3HB ALA 2 15.779 -6.091 -10.660 337 H THR 3 H THR 3 13.892 -6.423 -12.201 338 HA THR 3 HA THR 3 12.039 -4.222 -12.028 339 HB THR 3 HB THR 3 12.974 -5.596 -14.549 340 HG1 THR 3 1HG THR 3 14.328 -3.313 -13.909 341 HG21 THR 3 1HG2 THR 3 11.128 -4.016 -14.813 342 HG22 THR 3 2HG2 THR 3 12.602 -3.373 -15.538 343 HG23 THR 3 3HG2 THR 3 12.054 -2.775 -13.971 344 H SER 4 H SER 4 10.160 -5.105 -11.218 345 HA SER 4 HA SER 4 8.567 -6.586 -13.153 346 HB2 SER 4 2HB SER 4 8.776 -7.497 -10.270 347 HB3 SER 4 1HB SER 4 7.852 -8.265 -11.563 348 HG SER 4 HG SER 4 10.342 -8.048 -12.416 349 H SER 5 H SER 5 6.534 -5.811 -13.230 350 HA SER 5 HA SER 5 5.511 -4.324 -10.933 351 HB2 SER 5 2HB SER 5 5.364 -3.240 -13.753 352 HB3 SER 5 1HB SER 5 4.874 -2.429 -12.265 353 HG SER 5 HG SER 5 7.349 -3.065 -11.863 354 H GLU 6 H GLU 6 3.810 -5.566 -10.425 355 HA GLU 6 HA GLU 6 2.144 -6.766 -12.449 356 HB2 GLU 6 2HB GLU 6 1.836 -6.676 -9.439 357 HB3 GLU 6 1HB GLU 6 0.843 -7.631 -10.529 358 HG2 GLU 6 2HG GLU 6 2.322 -9.213 -9.832 359 HG3 GLU 6 1HG GLU 6 3.161 -8.618 -11.263 360 H GLU 7 H GLU 7 -0.360 -6.529 -11.860 361 HA GLU 7 HA GLU 7 -1.247 -4.120 -12.790 362 HB2 GLU 7 2HB GLU 7 -2.657 -6.010 -10.900 363 HB3 GLU 7 1HB GLU 7 -3.453 -4.700 -11.764 364 HG2 GLU 7 2HG GLU 7 -3.911 -6.375 -13.203 365 HG3 GLU 7 1HG GLU 7 -2.336 -5.914 -13.844 366 H VAL 8 H VAL 8 -0.772 -2.186 -12.033 367 HA VAL 8 HA VAL 8 -0.536 -1.658 -9.201 368 HB VAL 8 HB VAL 8 -0.465 0.394 -11.416 369 HG11 VAL 8 1HG1 VAL 8 0.772 0.334 -8.667 370 HG12 VAL 8 2HG1 VAL 8 -0.641 1.272 -9.151 371 HG13 VAL 8 3HG1 VAL 8 0.940 1.636 -9.844 372 HG21 VAL 8 1HG2 VAL 8 1.977 0.112 -11.460 373 HG22 VAL 8 2HG2 VAL 8 1.131 -1.339 -11.998 374 HG23 VAL 8 3HG2 VAL 8 1.824 -1.273 -10.378 375 H LEU 9 H LEU 9 -2.250 -1.203 -7.998 376 HA LEU 9 HA LEU 9 -4.734 -0.390 -9.281 377 HB2 LEU 9 2HB LEU 9 -4.238 -0.998 -6.369 378 HB3 LEU 9 1HB LEU 9 -5.793 -0.870 -7.168 379 HG LEU 9 HG LEU 9 -3.734 -3.038 -7.583 380 HD11 LEU 9 1HD1 LEU 9 -6.517 -3.150 -6.432 381 HD12 LEU 9 2HD1 LEU 9 -5.027 -3.166 -5.488 382 HD13 LEU 9 3HD1 LEU 9 -5.386 -4.494 -6.592 383 HD21 LEU 9 1HD2 LEU 9 -6.402 -2.610 -8.925 384 HD22 LEU 9 2HD2 LEU 9 -5.442 -4.086 -9.029 385 HD23 LEU 9 3HD2 LEU 9 -4.815 -2.577 -9.692 386 H LEU 10 H LEU 10 -2.226 0.902 -7.227 387 HA LEU 10 HA LEU 10 -3.575 3.515 -7.378 388 HB2 LEU 10 2HB LEU 10 -3.859 2.289 -5.140 389 HB3 LEU 10 1HB LEU 10 -2.158 2.641 -4.879 390 HG LEU 10 HG LEU 10 -2.737 5.084 -5.240 391 HD11 LEU 10 1HD1 LEU 10 -4.909 4.732 -6.333 392 HD12 LEU 10 2HD1 LEU 10 -5.031 5.768 -4.911 393 HD13 LEU 10 3HD1 LEU 10 -5.546 4.084 -4.821 394 HD21 LEU 10 1HD2 LEU 10 -3.507 5.376 -2.966 395 HD22 LEU 10 2HD2 LEU 10 -2.313 4.080 -3.039 396 HD23 LEU 10 3HD2 LEU 10 -4.029 3.692 -2.905 397 H ILE 11 H ILE 11 -2.285 5.055 -8.116 398 HA ILE 11 HA ILE 11 0.623 4.618 -7.977 399 HB ILE 11 HB ILE 11 -0.966 6.131 -10.060 400 HG12 ILE 11 2HG1 ILE 11 0.718 3.620 -10.232 401 HG13 ILE 11 1HG1 ILE 11 -1.038 3.694 -10.325 402 HG21 ILE 11 1HG2 ILE 11 2.025 5.785 -9.822 403 HG22 ILE 11 2HG2 ILE 11 1.130 7.284 -9.572 404 HG23 ILE 11 3HG2 ILE 11 1.177 6.542 -11.171 405 HD11 ILE 11 1HD1 ILE 11 -0.882 4.955 -12.398 406 HD12 ILE 11 2HD1 ILE 11 -0.026 3.417 -12.519 407 HD13 ILE 11 3HD1 ILE 11 0.877 4.917 -12.298 408 H VAL 12 H VAL 12 1.464 5.814 -6.433 409 HA VAL 12 HA VAL 12 0.423 8.534 -5.974 410 HB VAL 12 HB VAL 12 1.928 6.673 -4.118 411 HG11 VAL 12 1HG1 VAL 12 1.601 8.391 -2.399 412 HG12 VAL 12 2HG1 VAL 12 0.929 9.475 -3.618 413 HG13 VAL 12 3HG1 VAL 12 2.616 8.970 -3.721 414 HG21 VAL 12 1HG2 VAL 12 -0.426 6.102 -4.461 415 HG22 VAL 12 2HG2 VAL 12 -0.889 7.739 -3.998 416 HG23 VAL 12 3HG2 VAL 12 -0.128 6.671 -2.819 417 H LYS 13 H LYS 13 1.823 10.249 -6.142 418 HA LYS 13 HA LYS 13 4.533 9.548 -7.068 419 HB2 LYS 13 2HB LYS 13 2.609 11.646 -7.920 420 HB3 LYS 13 1HB LYS 13 4.324 12.040 -7.976 421 HG2 LYS 13 2HG LYS 13 2.941 9.767 -9.390 422 HG3 LYS 13 1HG LYS 13 3.642 11.214 -10.122 423 HD2 LYS 13 2HD LYS 13 5.861 10.519 -9.320 424 HD3 LYS 13 1HD LYS 13 5.147 9.060 -8.635 425 HE2 LYS 13 2HE LYS 13 4.438 8.367 -10.879 426 HE3 LYS 13 1HE LYS 13 5.173 9.821 -11.555 427 HZ1 LYS 13 1HZ LYS 13 7.289 8.934 -10.374 428 HZ2 LYS 13 2HZ LYS 13 6.819 8.267 -11.857 429 HZ3 LYS 13 3HZ LYS 13 6.482 7.438 -10.422 430 H LYS 14 H LYS 14 6.196 11.193 -6.676 431 HA LYS 14 HA LYS 14 7.605 12.101 -5.170 432 HB2 LYS 14 2HB LYS 14 5.153 13.721 -5.186 433 HB3 LYS 14 1HB LYS 14 6.301 14.071 -3.897 434 HG2 LYS 14 2HG LYS 14 8.043 14.209 -5.781 435 HG3 LYS 14 1HG LYS 14 6.654 14.304 -6.866 436 HD2 LYS 14 2HD LYS 14 7.292 16.540 -6.392 437 HD3 LYS 14 1HD LYS 14 5.831 16.227 -5.452 438 HE2 LYS 14 2HE LYS 14 7.222 15.778 -3.474 439 HE3 LYS 14 1HE LYS 14 8.665 16.140 -4.419 440 HZ1 LYS 14 1HZ LYS 14 7.938 18.393 -4.678 441 HZ2 LYS 14 2HZ LYS 14 7.872 18.016 -3.035 442 HZ3 LYS 14 3HZ LYS 14 6.449 18.073 -3.941 443 H VAL 15 H VAL 15 7.644 10.105 -3.987 444 HA VAL 15 HA VAL 15 6.605 10.443 -1.251 445 HB VAL 15 HB VAL 15 6.889 7.830 -2.755 446 HG11 VAL 15 1HG1 VAL 15 5.921 8.368 0.053 447 HG12 VAL 15 2HG1 VAL 15 7.423 7.559 -0.396 448 HG13 VAL 15 3HG1 VAL 15 5.872 6.807 -0.768 449 HG21 VAL 15 1HG2 VAL 15 4.960 9.112 -3.489 450 HG22 VAL 15 2HG2 VAL 15 4.431 9.301 -1.817 451 HG23 VAL 15 3HG2 VAL 15 4.451 7.703 -2.561 452 H ARG 16 H ARG 16 8.189 10.613 0.171 453 HA ARG 16 HA ARG 16 10.895 9.858 -0.622 454 HB2 ARG 16 2HB ARG 16 9.731 11.698 1.421 455 HB3 ARG 16 1HB ARG 16 11.340 11.047 1.694 456 HG2 ARG 16 2HG ARG 16 11.985 11.926 -0.550 457 HG3 ARG 16 1HG ARG 16 10.414 12.728 -0.616 458 HD2 ARG 16 2HD ARG 16 10.935 14.014 1.353 459 HD3 ARG 16 1HD ARG 16 12.448 13.133 1.572 460 HE ARG 16 HE ARG 16 12.279 14.419 -0.989 461 HH11 ARG 16 1HH1 ARG 16 13.041 14.962 2.407 462 HH12 ARG 16 2HH1 ARG 16 14.100 16.299 2.070 463 HH21 ARG 16 1HH2 ARG 16 13.692 16.162 -1.390 464 HH22 ARG 16 2HH2 ARG 16 14.474 16.973 -0.056 465 H GLN 17 H GLN 17 11.977 8.241 0.205 466 HA GLN 17 HA GLN 17 10.975 6.925 2.641 467 HB2 GLN 17 2HB GLN 17 10.850 5.739 0.258 468 HB3 GLN 17 1HB GLN 17 12.541 5.406 0.594 469 HG2 GLN 17 2HG GLN 17 10.295 4.674 2.453 470 HG3 GLN 17 1HG GLN 17 10.943 3.594 1.222 471 HE21 GLN 17 1HE2 GLN 17 13.064 2.821 1.448 472 HE22 GLN 17 2HE2 GLN 17 13.861 2.815 2.978 473 H LYS 18 H LYS 18 12.347 7.662 4.137 474 HA LYS 18 HA LYS 18 14.206 8.298 5.242 475 HB2 LYS 18 2HB LYS 18 14.831 5.761 3.883 476 HB3 LYS 18 1HB LYS 18 16.184 6.603 4.632 477 HG2 LYS 18 2HG LYS 18 13.664 5.618 5.963 478 HG3 LYS 18 1HG LYS 18 15.303 5.007 6.187 479 HD2 LYS 18 2HD LYS 18 15.560 6.429 7.878 480 HD3 LYS 18 1HD LYS 18 15.397 7.767 6.738 481 HE2 LYS 18 2HE LYS 18 12.971 7.735 7.042 482 HE3 LYS 18 1HE LYS 18 13.125 6.385 8.164 483 HZ1 LYS 18 1HZ LYS 18 12.917 8.758 9.090 484 HZ2 LYS 18 2HZ LYS 18 14.556 8.916 8.677 485 HZ3 LYS 18 3HZ LYS 18 14.059 7.719 9.782 486 H LYS 19 H LYS 19 14.052 10.194 3.706 487 HA LYS 19 HA LYS 19 15.040 11.875 2.607 488 HB2 LYS 19 2HB LYS 19 17.253 10.363 3.787 489 HB3 LYS 19 1HB LYS 19 17.706 11.536 2.551 490 HG2 LYS 19 2HG LYS 19 15.898 12.863 4.209 491 HG3 LYS 19 1HG LYS 19 16.927 11.935 5.300 492 HD2 LYS 19 2HD LYS 19 18.072 13.643 3.109 493 HD3 LYS 19 1HD LYS 19 17.666 14.309 4.689 494 HE2 LYS 19 2HE LYS 19 19.623 12.094 4.110 495 HE3 LYS 19 1HE LYS 19 20.005 13.739 4.616 496 HZ1 LYS 19 1HZ LYS 19 18.339 11.948 6.305 497 HZ2 LYS 19 2HZ LYS 19 19.184 13.358 6.753 498 HZ3 LYS 19 3HZ LYS 19 20.032 11.945 6.388 499 H GLN 20 H GLN 20 14.147 9.612 1.054 500 HA GLN 20 HA GLN 20 15.760 10.120 -1.352 501 HB2 GLN 20 2HB GLN 20 14.746 7.450 -0.367 502 HB3 GLN 20 1HB GLN 20 15.239 7.724 -2.032 503 HG2 GLN 20 2HG GLN 20 17.456 7.891 -1.497 504 HG3 GLN 20 1HG GLN 20 17.131 8.424 0.152 505 HE21 GLN 20 1HE2 GLN 20 16.761 6.921 1.744 506 HE22 GLN 20 2HE2 GLN 20 17.063 5.234 1.519 507 H ASP 21 H ASP 21 14.476 11.096 -2.803 508 HA ASP 21 HA ASP 21 11.602 10.946 -2.537 509 HB2 ASP 21 2HB ASP 21 13.497 12.715 -3.862 510 HB3 ASP 21 1HB ASP 21 12.131 12.318 -4.901 511 H GLY 22 H GLY 22 10.209 9.870 -3.780 512 HA2 GLY 22 2HA GLY 22 10.909 8.804 -6.352 513 HA3 GLY 22 1HA GLY 22 10.825 7.570 -5.102 514 H ALA 23 H ALA 23 9.029 6.509 -5.835 515 HA ALA 23 HA ALA 23 6.503 7.919 -5.428 516 HB1 ALA 23 1HB ALA 23 7.099 6.367 -7.943 517 HB2 ALA 23 2HB ALA 23 6.973 8.123 -7.827 518 HB3 ALA 23 3HB ALA 23 5.559 7.115 -7.518 519 H LEU 24 H LEU 24 4.797 6.597 -4.846 520 HA LEU 24 HA LEU 24 5.565 3.849 -4.119 521 HB2 LEU 24 2HB LEU 24 5.005 5.436 -2.256 522 HB3 LEU 24 1HB LEU 24 3.376 5.530 -2.903 523 HG LEU 24 HG LEU 24 3.370 2.957 -2.644 524 HD11 LEU 24 1HD1 LEU 24 4.772 2.130 -0.825 525 HD12 LEU 24 2HD1 LEU 24 5.596 3.689 -0.757 526 HD13 LEU 24 3HD1 LEU 24 5.733 2.679 -2.197 527 HD21 LEU 24 1HD2 LEU 24 3.325 4.761 -0.227 528 HD22 LEU 24 2HD2 LEU 24 2.589 3.161 -0.335 529 HD23 LEU 24 3HD2 LEU 24 1.983 4.481 -1.336 530 H TYR 25 H TYR 25 4.527 2.227 -5.058 531 HA TYR 25 HA TYR 25 2.029 2.848 -6.495 532 HB2 TYR 25 2HB TYR 25 4.119 0.814 -7.295 533 HB3 TYR 25 1HB TYR 25 2.662 1.225 -8.191 534 HD1 TYR 25 1HD TYR 25 6.084 2.177 -7.421 535 HD2 TYR 25 2HD TYR 25 2.499 3.406 -9.351 536 HE1 TYR 25 1HE TYR 25 7.344 3.884 -8.658 537 HE2 TYR 25 2HE TYR 25 3.750 5.120 -10.595 538 HH TYR 25 HH TYR 25 7.169 5.186 -10.692 539 H LEU 26 H LEU 26 0.329 1.860 -5.634 540 HA LEU 26 HA LEU 26 0.691 -0.478 -3.954 541 HB2 LEU 26 2HB LEU 26 -1.823 1.000 -4.736 542 HB3 LEU 26 1HB LEU 26 -1.766 -0.354 -3.626 543 HG LEU 26 HG LEU 26 -0.903 2.460 -3.222 544 HD11 LEU 26 1HD1 LEU 26 -3.086 1.648 -2.433 545 HD12 LEU 26 2HD1 LEU 26 -2.042 2.158 -1.106 546 HD13 LEU 26 3HD1 LEU 26 -2.262 0.441 -1.445 547 HD21 LEU 26 1HD2 LEU 26 0.163 0.188 -1.574 548 HD22 LEU 26 2HD2 LEU 26 0.499 1.909 -1.381 549 HD23 LEU 26 3HD2 LEU 26 1.096 1.047 -2.800 550 H MET 27 H MET 27 0.541 -2.491 -4.696 551 HA MET 27 HA MET 27 -0.587 -2.814 -7.393 552 HB2 MET 27 2HB MET 27 1.210 -4.875 -6.231 553 HB3 MET 27 1HB MET 27 1.036 -4.316 -7.891 554 HG2 MET 27 2HG MET 27 2.112 -2.151 -7.103 555 HG3 MET 27 1HG MET 27 2.567 -3.048 -5.656 556 HE1 MET 27 1HE MET 27 4.415 -3.162 -9.759 557 HE2 MET 27 2HE MET 27 3.531 -1.871 -8.945 558 HE3 MET 27 3HE MET 27 2.661 -3.262 -9.593 559 H ALA 28 H ALA 28 -1.605 -4.838 -7.841 560 HA ALA 28 HA ALA 28 -3.772 -5.424 -6.328 561 HB1 ALA 28 1HB ALA 28 -2.321 -7.399 -8.071 562 HB2 ALA 28 2HB ALA 28 -3.376 -6.113 -8.659 563 HB3 ALA 28 3HB ALA 28 -4.035 -7.406 -7.657 564 H GLU 29 H GLU 29 -0.654 -7.169 -6.107 565 HA GLU 29 HA GLU 29 -1.752 -8.521 -3.733 566 HB2 GLU 29 2HB GLU 29 0.600 -9.583 -5.255 567 HB3 GLU 29 1HB GLU 29 -0.532 -10.444 -4.225 568 HG2 GLU 29 2HG GLU 29 -1.148 -9.323 -6.955 569 HG3 GLU 29 1HG GLU 29 -0.804 -11.010 -6.589 570 H ARG 30 H ARG 30 0.365 -6.054 -4.464 571 HA ARG 30 HA ARG 30 1.674 -6.338 -1.911 572 HB2 ARG 30 2HB ARG 30 3.953 -6.437 -2.670 573 HB3 ARG 30 1HB ARG 30 3.073 -7.782 -3.376 574 HG2 ARG 30 2HG ARG 30 2.991 -6.707 -5.510 575 HG3 ARG 30 1HG ARG 30 3.623 -5.204 -4.837 576 HD2 ARG 30 2HD ARG 30 5.765 -6.092 -4.556 577 HD3 ARG 30 1HD ARG 30 5.191 -7.756 -4.658 578 HE ARG 30 HE ARG 30 4.791 -7.352 -7.056 579 HH11 ARG 30 1HH1 ARG 30 7.050 -5.267 -5.345 580 HH12 ARG 30 2HH1 ARG 30 7.847 -4.750 -6.792 581 HH21 ARG 30 1HH2 ARG 30 5.857 -6.708 -8.937 582 HH22 ARG 30 2HH2 ARG 30 7.168 -5.559 -8.843 583 H ILE 31 H ILE 31 3.361 -4.581 -1.598 584 HA ILE 31 HA ILE 31 2.563 -2.129 -3.024 585 HB ILE 31 HB ILE 31 1.643 -1.921 -0.821 586 HG12 ILE 31 2HG1 ILE 31 4.285 -0.444 -0.842 587 HG13 ILE 31 1HG1 ILE 31 2.838 0.066 -1.706 588 HG21 ILE 31 1HG2 ILE 31 4.330 -2.806 0.209 589 HG22 ILE 31 2HG2 ILE 31 2.798 -3.672 0.331 590 HG23 ILE 31 3HG2 ILE 31 3.034 -2.166 1.218 591 HD11 ILE 31 1HD1 ILE 31 1.663 0.325 0.414 592 HD12 ILE 31 2HD1 ILE 31 3.125 1.311 0.358 593 HD13 ILE 31 3HD1 ILE 31 3.110 -0.192 1.282 594 H ALA 32 H ALA 32 4.247 -0.975 -3.865 595 HA ALA 32 HA ALA 32 6.940 -1.658 -2.931 596 HB1 ALA 32 1HB ALA 32 6.147 -1.623 -5.834 597 HB2 ALA 32 2HB ALA 32 6.461 -3.068 -4.873 598 HB3 ALA 32 3HB ALA 32 7.762 -1.919 -5.191 599 H TRP 33 H TRP 33 8.516 -0.128 -3.279 600 HA TRP 33 HA TRP 33 7.613 2.500 -4.234 601 HB2 TRP 33 2HB TRP 33 7.611 2.586 -1.788 602 HB3 TRP 33 1HB TRP 33 9.251 1.956 -1.744 603 HD1 TRP 33 HD TRP 33 7.295 5.160 -2.364 604 HE1 TRP 33 1HE TRP 33 8.936 7.145 -2.474 605 HE3 TRP 33 3HE TRP 33 11.714 2.581 -2.338 606 HZ2 TRP 33 2HZ TRP 33 11.716 7.559 -2.544 607 HZ3 TRP 33 3HZ TRP 33 13.818 3.852 -2.427 608 HH2 TRP 33 HH TRP 33 13.818 6.290 -2.532 609 H ALA 34 H ALA 34 9.066 3.605 -5.424 610 HA ALA 34 HA ALA 34 11.830 2.695 -5.572 611 HB1 ALA 34 1HB ALA 34 11.749 2.599 -8.047 612 HB2 ALA 34 2HB ALA 34 9.997 2.789 -7.973 613 HB3 ALA 34 3HB ALA 34 10.759 1.355 -7.285 614 HA PRO 35 HA PRO 35 12.464 7.077 -5.785 615 HB2 PRO 35 2HB PRO 35 14.811 6.462 -7.491 616 HB3 PRO 35 1HB PRO 35 14.737 7.326 -5.952 617 HG2 PRO 35 2HG PRO 35 15.744 4.851 -6.109 618 HG3 PRO 35 1HG PRO 35 14.805 5.384 -4.703 619 HD2 PRO 35 2HD PRO 35 13.977 3.644 -6.990 620 HD3 PRO 35 1HD PRO 35 13.559 3.520 -5.268 621 H GLU 36 H GLU 36 12.401 8.803 -7.385 622 HA GLU 36 HA GLU 36 10.700 8.237 -9.521 623 HB2 GLU 36 2HB GLU 36 11.166 10.481 -8.324 624 HB3 GLU 36 1HB GLU 36 12.446 10.673 -9.516 625 HG2 GLU 36 2HG GLU 36 10.153 11.706 -10.008 626 HG3 GLU 36 1HG GLU 36 10.959 10.801 -11.288 627 H GLY 37 H GLY 37 10.921 7.889 -11.626 628 HA2 GLY 37 2HA GLY 37 11.887 7.361 -13.636 629 HA3 GLY 37 1HA GLY 37 13.301 8.264 -13.119 630 H LYS 38 H LYS 38 12.132 5.536 -11.257 631 HA LYS 38 HA LYS 38 14.469 4.011 -12.202 632 HB2 LYS 38 2HB LYS 38 13.149 3.946 -9.483 633 HB3 LYS 38 1HB LYS 38 14.460 2.888 -9.989 634 HG2 LYS 38 2HG LYS 38 14.590 5.888 -9.759 635 HG3 LYS 38 1HG LYS 38 15.290 4.723 -8.633 636 HD2 LYS 38 2HD LYS 38 16.999 4.178 -10.048 637 HD3 LYS 38 1HD LYS 38 16.047 4.511 -11.498 638 HE2 LYS 38 2HE LYS 38 17.097 6.626 -9.622 639 HE3 LYS 38 1HE LYS 38 17.904 6.125 -11.108 640 HZ1 LYS 38 1HZ LYS 38 15.264 7.458 -10.838 641 HZ2 LYS 38 2HZ LYS 38 15.789 6.742 -12.282 642 HZ3 LYS 38 3HZ LYS 38 16.650 8.041 -11.620 643 H ASP 39 H ASP 39 14.220 1.923 -12.831 644 HA ASP 39 HA ASP 39 11.491 1.019 -13.290 645 HB2 ASP 39 2HB ASP 39 12.501 -0.639 -14.759 646 HB3 ASP 39 1HB ASP 39 13.171 0.950 -15.119 647 H ARG 40 H ARG 40 14.098 0.424 -11.155 648 HA ARG 40 HA ARG 40 12.932 -2.135 -10.319 649 HB2 ARG 40 2HB ARG 40 15.683 -1.035 -10.303 650 HB3 ARG 40 1HB ARG 40 15.234 -2.033 -8.927 651 HG2 ARG 40 2HG ARG 40 15.193 -3.928 -10.139 652 HG3 ARG 40 1HG ARG 40 14.544 -3.125 -11.571 653 HD2 ARG 40 2HD ARG 40 17.390 -2.845 -10.619 654 HD3 ARG 40 1HD ARG 40 16.868 -4.011 -11.836 655 HE ARG 40 HE ARG 40 15.950 -1.744 -12.896 656 HH11 ARG 40 1HH1 ARG 40 19.086 -2.525 -11.533 657 HH12 ARG 40 2HH1 ARG 40 19.932 -1.351 -12.480 658 HH21 ARG 40 1HH2 ARG 40 17.029 -0.179 -14.109 659 HH22 ARG 40 2HH2 ARG 40 18.758 -0.011 -13.966 660 H PHE 41 H PHE 41 11.936 -2.305 -8.445 661 HA PHE 41 HA PHE 41 11.621 0.038 -6.785 662 HB2 PHE 41 2HB PHE 41 10.455 -2.742 -6.488 663 HB3 PHE 41 1HB PHE 41 9.973 -1.322 -5.565 664 HD1 PHE 41 1HD PHE 41 8.701 0.474 -6.625 665 HD2 PHE 41 2HD PHE 41 9.714 -3.077 -8.740 666 HE1 PHE 41 1HE PHE 41 7.015 1.013 -8.332 667 HE2 PHE 41 2HE PHE 41 8.031 -2.541 -10.450 668 HZ PHE 41 HZ PHE 41 6.679 -0.493 -10.248 669 H THR 42 H THR 42 12.880 0.474 -5.101 670 HA THR 42 HA THR 42 14.786 -1.440 -4.132 671 HB THR 42 HB THR 42 15.040 0.558 -2.371 672 HG1 THR 42 1HG THR 42 14.167 2.407 -3.056 673 HG21 THR 42 1HG2 THR 42 16.760 -0.158 -3.955 674 HG22 THR 42 2HG2 THR 42 16.642 1.602 -3.914 675 HG23 THR 42 3HG2 THR 42 15.933 0.701 -5.254 676 H ILE 43 H ILE 43 11.629 -0.410 -3.287 677 HA ILE 43 HA ILE 43 11.743 -1.996 -0.802 678 HB ILE 43 HB ILE 43 9.988 0.400 -1.375 679 HG12 ILE 43 2HG1 ILE 43 12.366 0.956 -0.884 680 HG13 ILE 43 1HG1 ILE 43 11.250 1.559 0.336 681 HG21 ILE 43 1HG2 ILE 43 8.917 -1.380 -0.013 682 HG22 ILE 43 2HG2 ILE 43 9.112 0.150 0.841 683 HG23 ILE 43 3HG2 ILE 43 10.208 -1.191 1.173 684 HD11 ILE 43 1HD1 ILE 43 13.266 0.637 1.334 685 HD12 ILE 43 2HD1 ILE 43 12.938 -0.919 0.574 686 HD13 ILE 43 3HD1 ILE 43 11.841 -0.290 1.802 687 H SER 44 H SER 44 10.502 -3.775 -0.895 688 HA SER 44 HA SER 44 8.007 -3.692 -2.392 689 HB2 SER 44 2HB SER 44 9.793 -4.539 -3.947 690 HB3 SER 44 1HB SER 44 10.036 -5.891 -2.843 691 HG SER 44 HG SER 44 8.384 -6.819 -3.722 692 H HIS 45 H HIS 45 6.516 -4.327 -1.008 693 HA HIS 45 HA HIS 45 7.090 -6.615 0.758 694 HB2 HIS 45 2HB HIS 45 5.709 -4.026 1.480 695 HB3 HIS 45 1HB HIS 45 5.578 -5.484 2.452 696 HD1 HIS 45 1HD HIS 45 8.051 -6.395 3.342 697 HD2 HIS 45 2HD HIS 45 7.718 -2.421 2.189 698 HE1 HIS 45 1HE HIS 45 9.979 -5.176 4.426 699 H MET 46 H MET 46 5.605 -8.185 0.689 700 HA MET 46 HA MET 46 3.264 -7.724 -0.968 701 HB2 MET 46 2HB MET 46 4.404 -10.184 0.366 702 HB3 MET 46 1HB MET 46 2.821 -10.188 -0.400 703 HG2 MET 46 2HG MET 46 4.106 -9.274 -2.461 704 HG3 MET 46 1HG MET 46 5.522 -9.927 -1.640 705 HE1 MET 46 1HE MET 46 2.032 -10.775 -3.272 706 HE2 MET 46 2HE MET 46 1.845 -11.297 -1.597 707 HE3 MET 46 3HE MET 46 1.891 -12.492 -2.893 708 H TYR 47 H TYR 47 1.131 -7.928 -0.152 709 HA TYR 47 HA TYR 47 0.764 -6.749 2.374 710 HB2 TYR 47 2HB TYR 47 -1.252 -8.304 0.746 711 HB3 TYR 47 1HB TYR 47 -1.629 -7.231 2.090 712 HD1 TYR 47 1HD TYR 47 -2.049 -7.335 -1.193 713 HD2 TYR 47 2HD TYR 47 -0.005 -4.893 1.623 714 HE1 TYR 47 1HE TYR 47 -2.169 -5.443 -2.756 715 HE2 TYR 47 2HE TYR 47 -0.121 -2.993 0.068 716 HH TYR 47 HH TYR 47 -1.539 -3.359 -3.168 717 H ALA 48 H ALA 48 1.311 -9.998 1.514 718 HA ALA 48 HA ALA 48 0.051 -11.218 3.779 719 HB1 ALA 48 1HB ALA 48 2.089 -12.308 1.843 720 HB2 ALA 48 2HB ALA 48 0.337 -12.463 1.718 721 HB3 ALA 48 3HB ALA 48 1.201 -13.256 3.036 722 H ASP 49 H ASP 49 2.900 -9.451 3.395 723 HA ASP 49 HA ASP 49 4.202 -10.800 5.662 724 HB2 ASP 49 2HB ASP 49 5.550 -8.593 4.168 725 HB3 ASP 49 1HB ASP 49 6.249 -10.010 4.934 726 H ILE 50 H ILE 50 2.108 -8.330 5.126 727 HA ILE 50 HA ILE 50 3.340 -6.557 7.117 728 HB ILE 50 HB ILE 50 0.944 -6.030 5.354 729 HG12 ILE 50 2HG1 ILE 50 3.747 -4.932 5.076 730 HG13 ILE 50 1HG1 ILE 50 3.181 -6.344 4.188 731 HG21 ILE 50 1HG2 ILE 50 0.910 -4.726 7.398 732 HG22 ILE 50 2HG2 ILE 50 1.296 -3.689 6.025 733 HG23 ILE 50 3HG2 ILE 50 2.574 -4.212 7.124 734 HD11 ILE 50 1HD1 ILE 50 1.426 -4.954 3.168 735 HD12 ILE 50 2HD1 ILE 50 3.056 -4.392 2.796 736 HD13 ILE 50 3HD1 ILE 50 2.087 -3.550 4.005 737 H LYS 51 H LYS 51 2.410 -6.161 9.070 738 HA LYS 51 HA LYS 51 0.268 -7.957 9.909 739 HB2 LYS 51 2HB LYS 51 2.348 -7.745 11.257 740 HB3 LYS 51 1HB LYS 51 1.963 -6.054 11.541 741 HG2 LYS 51 2HG LYS 51 -0.295 -7.098 12.443 742 HG3 LYS 51 1HG LYS 51 0.747 -8.500 12.691 743 HD2 LYS 51 2HD LYS 51 1.124 -5.723 13.806 744 HD3 LYS 51 1HD LYS 51 0.723 -7.185 14.705 745 HE2 LYS 51 2HE LYS 51 3.281 -6.774 13.163 746 HE3 LYS 51 1HE LYS 51 3.108 -6.498 14.894 747 HZ1 LYS 51 1HZ LYS 51 4.042 -8.710 14.237 748 HZ2 LYS 51 2HZ LYS 51 2.519 -9.110 13.610 749 HZ3 LYS 51 3HZ LYS 51 2.696 -8.784 15.261 750 H CYS 52 H CYS 52 1.051 -4.512 9.926 751 HA CYS 52 HA CYS 52 -1.665 -3.742 9.482 752 HB2 CYS 52 2HB CYS 52 -1.656 -2.270 11.618 753 HB3 CYS 52 1HB CYS 52 -2.074 -3.972 11.782 754 HG CYS 52 HG CYS 52 0.153 -2.299 13.404 755 H GLN 53 H GLN 53 -1.678 -1.094 9.829 756 HA GLN 53 HA GLN 53 0.965 -0.184 8.954 757 HB2 GLN 53 2HB GLN 53 -0.291 1.219 7.240 758 HB3 GLN 53 1HB GLN 53 -0.246 -0.497 6.919 759 HG2 GLN 53 2HG GLN 53 -2.462 -0.791 7.413 760 HG3 GLN 53 1HG GLN 53 -2.542 0.658 8.411 761 HE21 GLN 53 1HE2 GLN 53 -4.350 -0.065 6.381 762 HE22 GLN 53 2HE2 GLN 53 -4.280 1.157 5.156 763 H LYS 54 H LYS 54 1.022 2.261 9.098 764 HA LYS 54 HA LYS 54 -0.922 3.437 10.966 765 HB2 LYS 54 2HB LYS 54 2.061 3.803 11.400 766 HB3 LYS 54 1HB LYS 54 0.744 4.318 12.429 767 HG2 LYS 54 2HG LYS 54 0.435 1.584 12.323 768 HG3 LYS 54 1HG LYS 54 2.186 1.820 12.389 769 HD2 LYS 54 2HD LYS 54 1.195 3.656 14.203 770 HD3 LYS 54 1HD LYS 54 0.178 2.235 14.441 771 HE2 LYS 54 2HE LYS 54 3.169 2.126 14.352 772 HE3 LYS 54 1HE LYS 54 2.256 2.364 15.840 773 HZ1 LYS 54 1HZ LYS 54 1.143 0.251 15.460 774 HZ2 LYS 54 2HZ LYS 54 2.825 0.037 15.516 775 HZ3 LYS 54 3HZ LYS 54 2.020 0.022 14.029 776 H ILE 55 H ILE 55 -0.586 5.832 11.008 777 HA ILE 55 HA ILE 55 0.768 6.797 8.550 778 HB ILE 55 HB ILE 55 -1.261 8.418 8.402 779 HG12 ILE 55 2HG1 ILE 55 -2.307 6.224 10.158 780 HG13 ILE 55 1HG1 ILE 55 -2.249 7.944 10.490 781 HG21 ILE 55 1HG2 ILE 55 -0.806 6.707 6.711 782 HG22 ILE 55 2HG2 ILE 55 -2.539 6.850 7.011 783 HG23 ILE 55 3HG2 ILE 55 -1.629 5.505 7.701 784 HD11 ILE 55 1HD1 ILE 55 -4.487 7.152 10.068 785 HD12 ILE 55 2HD1 ILE 55 -4.004 6.625 8.454 786 HD13 ILE 55 3HD1 ILE 55 -3.975 8.341 8.873 787 H SER 56 H SER 56 1.958 8.694 8.905 788 HA SER 56 HA SER 56 1.959 9.771 11.544 789 HB2 SER 56 2HB SER 56 3.679 11.172 10.871 790 HB3 SER 56 1HB SER 56 3.824 9.924 9.639 791 HG SER 56 HG SER 56 2.742 12.512 9.439 792 HA PRO 57 HA PRO 57 -2.080 11.480 11.049 793 HB2 PRO 57 2HB PRO 57 -2.050 12.793 13.457 794 HB3 PRO 57 1HB PRO 57 -2.402 11.073 13.250 795 HG2 PRO 57 2HG PRO 57 0.165 12.401 14.022 796 HG3 PRO 57 1HG PRO 57 -0.598 10.953 14.708 797 HD2 PRO 57 2HD PRO 57 1.419 10.756 12.989 798 HD3 PRO 57 1HD PRO 57 0.060 9.616 12.942 799 H GLU 58 H GLU 58 -3.120 13.605 11.205 800 HA GLU 58 HA GLU 58 -1.750 15.677 9.923 801 HB2 GLU 58 2HB GLU 58 -4.360 15.459 11.387 802 HB3 GLU 58 1HB GLU 58 -3.775 17.047 10.918 803 HG2 GLU 58 2HG GLU 58 -5.389 15.883 9.343 804 HG3 GLU 58 1HG GLU 58 -3.923 16.563 8.640 805 H GLY 59 H GLY 59 -0.869 17.602 10.735 806 HA2 GLY 59 2HA GLY 59 -0.501 19.093 12.651 807 HA3 GLY 59 1HA GLY 59 -0.424 17.650 13.656 808 H LYS 60 H LYS 60 1.144 16.109 11.757 809 HA LYS 60 HA LYS 60 3.753 17.065 12.443 810 HB2 LYS 60 2HB LYS 60 2.688 14.736 10.897 811 HB3 LYS 60 1HB LYS 60 4.343 15.225 10.583 812 HG2 LYS 60 2HG LYS 60 4.653 15.044 13.145 813 HG3 LYS 60 1HG LYS 60 3.150 14.116 13.101 814 HD2 LYS 60 2HD LYS 60 4.083 12.435 11.777 815 HD3 LYS 60 1HD LYS 60 5.430 13.451 11.267 816 HE2 LYS 60 2HE LYS 60 5.003 12.391 14.056 817 HE3 LYS 60 1HE LYS 60 6.082 11.679 12.862 818 HZ1 LYS 60 1HZ LYS 60 7.297 13.035 14.404 819 HZ2 LYS 60 2HZ LYS 60 6.332 14.382 14.053 820 HZ3 LYS 60 3HZ LYS 60 7.358 13.749 12.861 821 H ALA 61 H ALA 61 5.371 17.794 10.904 822 HA ALA 61 HA ALA 61 4.358 19.686 9.058 823 HB1 ALA 61 1HB ALA 61 7.150 18.627 9.468 824 HB2 ALA 61 2HB ALA 61 6.457 20.105 10.135 825 HB3 ALA 61 3HB ALA 61 6.747 19.971 8.401 826 H LYS 62 H LYS 62 4.874 16.370 8.790 827 HA LYS 62 HA LYS 62 4.390 16.486 5.925 828 HB2 LYS 62 2HB LYS 62 6.144 14.410 6.004 829 HB3 LYS 62 1HB LYS 62 6.573 16.052 5.539 830 HG2 LYS 62 2HG LYS 62 7.027 16.389 8.065 831 HG3 LYS 62 1HG LYS 62 7.073 14.627 8.117 832 HD2 LYS 62 2HD LYS 62 8.704 16.204 6.151 833 HD3 LYS 62 1HD LYS 62 9.284 15.858 7.782 834 HE2 LYS 62 2HE LYS 62 9.047 13.466 7.364 835 HE3 LYS 62 1HE LYS 62 8.439 13.801 5.743 836 HZ1 LYS 62 1HZ LYS 62 10.673 13.350 5.406 837 HZ2 LYS 62 2HZ LYS 62 11.163 14.172 6.809 838 HZ3 LYS 62 3HZ LYS 62 10.644 15.050 5.455 839 H ILE 63 H ILE 63 2.875 15.105 5.353 840 HA ILE 63 HA ILE 63 1.746 13.281 7.288 841 HB ILE 63 HB ILE 63 0.956 13.894 4.436 842 HG12 ILE 63 2HG1 ILE 63 -1.006 14.862 6.119 843 HG13 ILE 63 1HG1 ILE 63 0.478 15.221 6.998 844 HG21 ILE 63 1HG2 ILE 63 -1.170 12.830 4.979 845 HG22 ILE 63 2HG2 ILE 63 -0.544 12.394 6.569 846 HG23 ILE 63 3HG2 ILE 63 0.175 11.699 5.116 847 HD11 ILE 63 1HD1 ILE 63 -0.164 16.055 4.180 848 HD12 ILE 63 2HD1 ILE 63 1.336 16.407 5.038 849 HD13 ILE 63 3HD1 ILE 63 -0.189 17.088 5.609 850 H GLN 64 H GLN 64 2.320 11.136 7.457 851 HA GLN 64 HA GLN 64 3.446 9.911 5.003 852 HB2 GLN 64 2HB GLN 64 4.715 9.800 7.739 853 HB3 GLN 64 1HB GLN 64 5.283 8.935 6.317 854 HG2 GLN 64 2HG GLN 64 6.108 10.813 5.327 855 HG3 GLN 64 1HG GLN 64 4.963 11.878 6.137 856 HE21 GLN 64 1HE2 GLN 64 5.403 12.600 8.203 857 HE22 GLN 64 2HE2 GLN 64 7.003 12.530 8.877 858 H LEU 65 H LEU 65 3.836 7.539 5.242 859 HA LEU 65 HA LEU 65 1.750 6.266 6.899 860 HB2 LEU 65 2HB LEU 65 1.305 6.251 4.421 861 HB3 LEU 65 1HB LEU 65 2.763 5.302 4.222 862 HG LEU 65 HG LEU 65 1.517 3.762 6.024 863 HD11 LEU 65 1HD1 LEU 65 -0.433 5.169 6.209 864 HD12 LEU 65 2HD1 LEU 65 -0.854 3.612 5.496 865 HD13 LEU 65 3HD1 LEU 65 -0.714 5.041 4.472 866 HD21 LEU 65 1HD2 LEU 65 0.931 3.703 3.079 867 HD22 LEU 65 2HD2 LEU 65 0.795 2.354 4.207 868 HD23 LEU 65 3HD2 LEU 65 2.376 3.052 3.853 869 H GLN 66 H GLN 66 2.306 4.276 7.852 870 HA GLN 66 HA GLN 66 5.125 3.455 7.658 871 HB2 GLN 66 2HB GLN 66 4.704 4.762 9.703 872 HB3 GLN 66 1HB GLN 66 3.435 3.640 10.155 873 HG2 GLN 66 2HG GLN 66 4.983 1.876 10.490 874 HG3 GLN 66 1HG GLN 66 6.294 2.804 9.763 875 HE21 GLN 66 1HE2 GLN 66 7.352 4.321 10.950 876 HE22 GLN 66 2HE2 GLN 66 7.120 4.532 12.654 877 H LEU 67 H LEU 67 5.253 1.386 7.014 878 HA LEU 67 HA LEU 67 2.943 -0.368 7.400 879 HB2 LEU 67 2HB LEU 67 5.447 -0.594 5.746 880 HB3 LEU 67 1HB LEU 67 4.354 -1.945 5.974 881 HG LEU 67 HG LEU 67 3.773 0.663 4.586 882 HD11 LEU 67 1HD1 LEU 67 3.842 -2.207 3.664 883 HD12 LEU 67 2HD1 LEU 67 5.016 -0.950 3.272 884 HD13 LEU 67 3HD1 LEU 67 3.361 -0.829 2.674 885 HD21 LEU 67 1HD2 LEU 67 1.887 -1.613 5.201 886 HD22 LEU 67 2HD2 LEU 67 1.524 -0.210 4.197 887 HD23 LEU 67 3HD2 LEU 67 1.832 -0.004 5.921 888 H VAL 68 H VAL 68 2.892 -1.581 9.202 889 HA VAL 68 HA VAL 68 5.443 -2.320 10.442 890 HB VAL 68 HB VAL 68 2.632 -2.507 11.551 891 HG11 VAL 68 1HG1 VAL 68 5.284 -3.185 12.826 892 HG12 VAL 68 2HG1 VAL 68 4.002 -4.323 12.411 893 HG13 VAL 68 3HG1 VAL 68 3.738 -3.116 13.671 894 HG21 VAL 68 1HG2 VAL 68 3.526 -0.233 11.405 895 HG22 VAL 68 2HG2 VAL 68 4.956 -0.746 12.300 896 HG23 VAL 68 3HG2 VAL 68 3.374 -0.767 13.080 897 H LEU 69 H LEU 69 6.261 -4.210 9.972 898 HA LEU 69 HA LEU 69 4.648 -6.197 8.669 899 HB2 LEU 69 2HB LEU 69 7.545 -6.322 9.456 900 HB3 LEU 69 1HB LEU 69 6.707 -7.459 8.417 901 HG LEU 69 HG LEU 69 7.741 -4.757 7.822 902 HD11 LEU 69 1HD1 LEU 69 8.218 -5.820 5.675 903 HD12 LEU 69 2HD1 LEU 69 7.391 -7.276 6.228 904 HD13 LEU 69 3HD1 LEU 69 8.866 -6.740 7.032 905 HD21 LEU 69 1HD2 LEU 69 6.249 -4.390 5.962 906 HD22 LEU 69 2HD2 LEU 69 5.358 -4.400 7.484 907 HD23 LEU 69 3HD2 LEU 69 5.303 -5.806 6.421 908 H HIS 70 H HIS 70 5.451 -8.598 9.476 909 HA HIS 70 HA HIS 70 3.958 -8.965 11.850 910 HB2 HIS 70 2HB HIS 70 5.653 -10.913 10.295 911 HB3 HIS 70 1HB HIS 70 4.572 -11.358 11.613 912 HD1 HIS 70 1HD HIS 70 1.971 -10.184 11.074 913 HD2 HIS 70 2HD HIS 70 4.456 -11.388 7.965 914 HE1 HIS 70 1HE HIS 70 0.512 -10.339 9.013 915 H ALA 71 H ALA 71 7.455 -8.851 11.308 916 HA ALA 71 HA ALA 71 7.941 -9.848 14.002 917 HB1 ALA 71 1HB ALA 71 10.304 -9.723 13.418 918 HB2 ALA 71 2HB ALA 71 9.890 -8.943 11.890 919 HB3 ALA 71 3HB ALA 71 9.388 -10.607 12.197 920 H GLY 72 H GLY 72 6.932 -6.985 12.954 921 HA2 GLY 72 2HA GLY 72 6.804 -5.058 14.332 922 HA3 GLY 72 1HA GLY 72 8.275 -5.579 15.148 923 H ASP 73 H ASP 73 8.173 -5.785 11.769 924 HA ASP 73 HA ASP 73 10.340 -3.921 11.451 925 HB2 ASP 73 2HB ASP 73 8.850 -5.130 9.147 926 HB3 ASP 73 1HB ASP 73 10.568 -4.816 9.303 927 H THR 74 H THR 74 10.187 -2.041 9.995 928 HA THR 74 HA THR 74 7.457 -1.200 9.430 929 HB THR 74 HB THR 74 8.193 1.131 10.405 930 HG1 THR 74 1HG THR 74 9.670 -0.675 12.045 931 HG21 THR 74 1HG2 THR 74 6.272 -0.125 11.201 932 HG22 THR 74 2HG2 THR 74 7.173 0.545 12.562 933 HG23 THR 74 3HG2 THR 74 7.329 -1.166 12.157 934 H THR 75 H THR 75 7.242 -0.067 7.645 935 HA THR 75 HA THR 75 9.645 1.035 6.350 936 HB THR 75 HB THR 75 7.248 0.271 4.740 937 HG1 THR 75 1HG THR 75 8.772 -1.836 4.657 938 HG21 THR 75 1HG2 THR 75 9.128 1.406 3.677 939 HG22 THR 75 2HG2 THR 75 8.982 -0.243 3.069 940 HG23 THR 75 3HG2 THR 75 10.227 0.153 4.253 941 H ASN 76 H ASN 76 9.574 3.193 6.421 942 HA ASN 76 HA ASN 76 7.008 4.548 6.699 943 HB2 ASN 76 2HB ASN 76 9.862 5.372 7.129 944 HB3 ASN 76 1HB ASN 76 8.592 6.582 6.995 945 HD21 ASN 76 1HD2 ASN 76 9.124 7.181 9.145 946 HD22 ASN 76 2HD2 ASN 76 8.526 6.263 10.477 947 H PHE 77 H PHE 77 6.106 5.824 5.230 948 HA PHE 77 HA PHE 77 7.628 6.482 2.796 949 HB2 PHE 77 2HB PHE 77 4.778 5.479 2.960 950 HB3 PHE 77 1HB PHE 77 5.510 6.146 1.504 951 HD1 PHE 77 1HD PHE 77 7.951 5.021 1.056 952 HD2 PHE 77 2HD PHE 77 4.642 3.198 3.014 953 HE1 PHE 77 1HE PHE 77 8.837 2.803 0.478 954 HE2 PHE 77 2HE PHE 77 5.523 0.977 2.436 955 HZ PHE 77 HZ PHE 77 7.622 0.774 1.169 956 H HIS 78 H HIS 78 7.856 8.604 2.776 957 HA HIS 78 HA HIS 78 5.856 10.328 4.014 958 HB2 HIS 78 2HB HIS 78 8.084 10.862 4.625 959 HB3 HIS 78 1HB HIS 78 8.653 10.749 2.969 960 HD1 HIS 78 1HD HIS 78 9.708 13.128 3.194 961 HD2 HIS 78 2HD HIS 78 5.576 13.028 3.637 962 HE1 HIS 78 1HE HIS 78 8.905 15.518 2.954 963 H PHE 79 H PHE 79 4.326 11.303 2.877 964 HA PHE 79 HA PHE 79 4.409 11.213 -0.017 965 HB2 PHE 79 2HB PHE 79 2.316 12.281 1.900 966 HB3 PHE 79 1HB PHE 79 2.122 12.190 0.151 967 HD1 PHE 79 1HD PHE 79 1.623 10.133 -0.933 968 HD2 PHE 79 2HD PHE 79 2.443 10.217 3.241 969 HE1 PHE 79 1HE PHE 79 0.805 7.823 -0.729 970 HE2 PHE 79 2HE PHE 79 1.626 7.906 3.453 971 HZ PHE 79 HZ PHE 79 0.804 6.708 1.466 972 H SER 80 H SER 80 6.175 12.576 -0.387 973 HA SER 80 HA SER 80 6.273 15.241 0.630 974 HB2 SER 80 2HB SER 80 8.106 15.288 -1.326 975 HB3 SER 80 1HB SER 80 8.409 14.544 0.242 976 HG SER 80 HG SER 80 8.853 13.307 -1.830 977 H ASN 81 H ASN 81 4.335 13.941 -1.690 978 HA ASN 81 HA ASN 81 4.473 16.057 -3.630 979 HB2 ASN 81 2HB ASN 81 3.689 13.729 -4.159 980 HB3 ASN 81 1HB ASN 81 2.237 14.063 -3.220 981 HD21 ASN 81 1HD2 ASN 81 1.034 13.658 -5.107 982 HD22 ASN 81 2HD2 ASN 81 0.893 14.870 -6.343 983 H GLU 82 H GLU 82 4.105 17.997 -2.744 984 HA GLU 82 HA GLU 82 2.382 18.663 -0.676 985 HB2 GLU 82 2HB GLU 82 3.159 20.419 -3.014 986 HB3 GLU 82 1HB GLU 82 2.630 20.963 -1.428 987 HG2 GLU 82 2HG GLU 82 4.882 21.221 -1.216 988 HG3 GLU 82 1HG GLU 82 4.702 19.580 -0.607 989 H SER 83 H SER 83 1.750 18.348 -4.095 990 HA SER 83 HA SER 83 -0.692 19.641 -4.305 991 HB2 SER 83 2HB SER 83 -0.312 17.166 -5.891 992 HB3 SER 83 1HB SER 83 -0.720 18.799 -6.421 993 HG SER 83 HG SER 83 1.767 17.609 -6.050 994 H THR 84 H THR 84 -0.152 16.138 -3.722 995 HA THR 84 HA THR 84 -2.857 16.048 -2.566 996 HB THR 84 HB THR 84 -2.739 13.594 -3.641 997 HG1 THR 84 1HG THR 84 -0.872 13.715 -4.772 998 HG21 THR 84 1HG2 THR 84 -3.550 16.060 -5.185 999 HG22 THR 84 2HG2 THR 84 -4.541 15.240 -3.980 1000 HG23 THR 84 3HG2 THR 84 -4.113 14.416 -5.479 1001 H ALA 85 H ALA 85 -0.421 16.192 -1.051 1002 HA ALA 85 HA ALA 85 0.697 13.783 -0.268 1003 HB1 ALA 85 1HB ALA 85 1.368 14.887 1.778 1004 HB2 ALA 85 2HB ALA 85 0.178 16.160 1.506 1005 HB3 ALA 85 3HB ALA 85 1.546 15.983 0.408 1006 H VAL 86 H VAL 86 -1.694 15.504 1.712 1007 HA VAL 86 HA VAL 86 -2.338 13.382 3.392 1008 HB VAL 86 HB VAL 86 -4.023 15.741 2.551 1009 HG11 VAL 86 1HG1 VAL 86 -5.278 15.382 4.635 1010 HG12 VAL 86 2HG1 VAL 86 -4.352 13.911 4.930 1011 HG13 VAL 86 3HG1 VAL 86 -5.434 14.008 3.541 1012 HG21 VAL 86 1HG2 VAL 86 -1.927 16.384 3.563 1013 HG22 VAL 86 2HG2 VAL 86 -2.273 15.358 4.956 1014 HG23 VAL 86 3HG2 VAL 86 -3.286 16.763 4.620 1015 H LYS 87 H LYS 87 -3.724 14.370 0.325 1016 HA LYS 87 HA LYS 87 -5.979 12.682 0.343 1017 HB2 LYS 87 2HB LYS 87 -4.523 13.800 -2.056 1018 HB3 LYS 87 1HB LYS 87 -6.194 13.255 -1.999 1019 HG2 LYS 87 2HG LYS 87 -6.893 15.095 -0.767 1020 HG3 LYS 87 1HG LYS 87 -5.262 15.457 -0.202 1021 HD2 LYS 87 2HD LYS 87 -4.746 15.894 -2.697 1022 HD3 LYS 87 1HD LYS 87 -6.498 15.996 -2.878 1023 HE2 LYS 87 2HE LYS 87 -6.641 17.849 -1.423 1024 HE3 LYS 87 1HE LYS 87 -5.002 17.602 -0.824 1025 HZ1 LYS 87 1HZ LYS 87 -5.172 19.466 -2.390 1026 HZ2 LYS 87 2HZ LYS 87 -5.682 18.405 -3.603 1027 HZ3 LYS 87 3HZ LYS 87 -4.123 18.262 -2.955 1028 H GLU 88 H GLU 88 -2.773 12.270 -1.204 1029 HA GLU 88 HA GLU 88 -3.397 9.694 -2.240 1030 HB2 GLU 88 2HB GLU 88 -0.749 11.079 -1.785 1031 HB3 GLU 88 1HB GLU 88 -0.899 9.505 -2.550 1032 HG2 GLU 88 2HG GLU 88 -2.149 10.438 -4.365 1033 HG3 GLU 88 1HG GLU 88 -2.230 12.004 -3.561 1034 H ARG 89 H ARG 89 -2.066 10.882 0.768 1035 HA ARG 89 HA ARG 89 -1.025 8.493 1.789 1036 HB2 ARG 89 2HB ARG 89 -0.642 10.659 2.877 1037 HB3 ARG 89 1HB ARG 89 -2.347 10.764 3.293 1038 HG2 ARG 89 2HG ARG 89 -1.065 8.314 4.233 1039 HG3 ARG 89 1HG ARG 89 -0.368 9.787 4.909 1040 HD2 ARG 89 2HD ARG 89 -3.221 9.995 4.935 1041 HD3 ARG 89 1HD ARG 89 -2.746 8.465 5.672 1042 HE ARG 89 HE ARG 89 -1.154 9.980 7.013 1043 HH11 ARG 89 1HH1 ARG 89 -4.426 10.829 6.023 1044 HH12 ARG 89 2HH1 ARG 89 -4.599 12.026 7.278 1045 HH21 ARG 89 1HH2 ARG 89 -1.434 11.546 8.665 1046 HH22 ARG 89 2HH2 ARG 89 -2.937 12.430 8.757 1047 H ASP 90 H ASP 90 -4.240 9.930 2.227 1048 HA ASP 90 HA ASP 90 -5.296 7.737 3.666 1049 HB2 ASP 90 2HB ASP 90 -6.403 10.182 2.403 1050 HB3 ASP 90 1HB ASP 90 -7.531 8.863 2.727 1051 H ALA 91 H ALA 91 -5.032 8.409 0.229 1052 HA ALA 91 HA ALA 91 -6.875 6.460 -0.656 1053 HB1 ALA 91 1HB ALA 91 -4.419 7.522 -2.058 1054 HB2 ALA 91 2HB ALA 91 -6.031 8.236 -2.120 1055 HB3 ALA 91 3HB ALA 91 -5.745 6.641 -2.816 1056 H VAL 92 H VAL 92 -3.397 6.403 -0.004 1057 HA VAL 92 HA VAL 92 -3.010 3.662 -0.720 1058 HB VAL 92 HB VAL 92 -1.361 5.501 1.038 1059 HG11 VAL 92 1HG1 VAL 92 -0.627 2.804 -0.092 1060 HG12 VAL 92 2HG1 VAL 92 -0.916 3.177 1.607 1061 HG13 VAL 92 3HG1 VAL 92 0.461 3.892 0.770 1062 HG21 VAL 92 1HG2 VAL 92 0.156 5.547 -0.931 1063 HG22 VAL 92 2HG2 VAL 92 -1.413 6.301 -1.213 1064 HG23 VAL 92 3HG2 VAL 92 -1.083 4.688 -1.847 1065 H LYS 93 H LYS 93 -3.759 5.443 2.145 1066 HA LYS 93 HA LYS 93 -3.378 3.460 4.084 1067 HB2 LYS 93 2HB LYS 93 -3.473 5.545 4.987 1068 HB3 LYS 93 1HB LYS 93 -4.680 6.101 3.849 1069 HG2 LYS 93 2HG LYS 93 -6.386 4.822 5.123 1070 HG3 LYS 93 1HG LYS 93 -5.137 4.465 6.324 1071 HD2 LYS 93 2HD LYS 93 -4.970 6.669 7.000 1072 HD3 LYS 93 1HD LYS 93 -5.616 7.289 5.481 1073 HE2 LYS 93 2HE LYS 93 -7.368 5.613 7.192 1074 HE3 LYS 93 1HE LYS 93 -7.045 7.272 7.692 1075 HZ1 LYS 93 1HZ LYS 93 -9.039 7.161 6.352 1076 HZ2 LYS 93 2HZ LYS 93 -8.206 6.424 5.078 1077 HZ3 LYS 93 3HZ LYS 93 -7.850 8.031 5.520 1078 H ASP 94 H ASP 94 -6.426 4.656 2.646 1079 HA ASP 94 HA ASP 94 -8.054 2.694 3.821 1080 HB2 ASP 94 2HB ASP 94 -8.383 4.705 1.680 1081 HB3 ASP 94 1HB ASP 94 -9.520 3.367 1.680 1082 H LEU 95 H LEU 95 -6.366 2.720 0.746 1083 HA LEU 95 HA LEU 95 -7.628 0.322 -0.202 1084 HB2 LEU 95 2HB LEU 95 -6.491 2.092 -1.640 1085 HB3 LEU 95 1HB LEU 95 -4.961 1.419 -1.110 1086 HG LEU 95 HG LEU 95 -5.548 -0.739 -2.123 1087 HD11 LEU 95 1HD1 LEU 95 -8.026 0.678 -3.094 1088 HD12 LEU 95 2HD1 LEU 95 -7.978 -0.594 -1.873 1089 HD13 LEU 95 3HD1 LEU 95 -7.515 -0.952 -3.537 1090 HD21 LEU 95 1HD2 LEU 95 -5.823 1.612 -3.989 1091 HD22 LEU 95 2HD2 LEU 95 -5.427 -0.037 -4.470 1092 HD23 LEU 95 3HD2 LEU 95 -4.315 0.876 -3.450 1093 H LEU 96 H LEU 96 -4.781 1.081 1.718 1094 HA LEU 96 HA LEU 96 -3.665 -1.523 1.594 1095 HB2 LEU 96 2HB LEU 96 -3.264 0.856 3.321 1096 HB3 LEU 96 1HB LEU 96 -2.737 -0.694 3.954 1097 HG LEU 96 HG LEU 96 -1.842 0.488 1.323 1098 HD11 LEU 96 1HD1 LEU 96 -0.467 0.325 3.994 1099 HD12 LEU 96 2HD1 LEU 96 -0.976 1.789 3.152 1100 HD13 LEU 96 3HD1 LEU 96 0.313 0.789 2.483 1101 HD21 LEU 96 1HD2 LEU 96 -0.199 -1.303 1.334 1102 HD22 LEU 96 2HD2 LEU 96 -1.835 -1.961 1.371 1103 HD23 LEU 96 3HD2 LEU 96 -0.865 -1.923 2.844 1104 H GLN 97 H GLN 97 -5.614 0.075 4.204 1105 HA GLN 97 HA GLN 97 -6.035 -2.200 5.712 1106 HB2 GLN 97 2HB GLN 97 -8.395 -0.995 6.078 1107 HB3 GLN 97 1HB GLN 97 -6.898 -0.394 6.789 1108 HG2 GLN 97 2HG GLN 97 -6.756 0.998 4.618 1109 HG3 GLN 97 1HG GLN 97 -8.473 0.630 4.487 1110 HE21 GLN 97 1HE2 GLN 97 -7.062 0.902 7.600 1111 HE22 GLN 97 2HE2 GLN 97 -7.724 2.450 7.994 1112 H GLN 98 H GLN 98 -7.264 -1.427 2.615 1113 HA GLN 98 HA GLN 98 -9.406 -3.342 2.637 1114 HB2 GLN 98 2HB GLN 98 -8.224 -1.405 0.732 1115 HB3 GLN 98 1HB GLN 98 -9.086 -2.763 0.034 1116 HG2 GLN 98 2HG GLN 98 -10.456 -1.402 2.237 1117 HG3 GLN 98 1HG GLN 98 -10.231 -0.447 0.772 1118 HE21 GLN 98 1HE2 GLN 98 -11.606 -3.343 2.110 1119 HE22 GLN 98 2HE2 GLN 98 -12.750 -3.616 0.849 1120 H LEU 99 H LEU 99 -6.195 -3.159 1.089 1121 HA LEU 99 HA LEU 99 -6.463 -5.853 0.056 1122 HB2 LEU 99 2HB LEU 99 -4.366 -3.729 -0.191 1123 HB3 LEU 99 1HB LEU 99 -4.117 -5.352 -0.807 1124 HG LEU 99 HG LEU 99 -6.464 -3.663 -1.631 1125 HD11 LEU 99 1HD1 LEU 99 -5.199 -3.126 -3.663 1126 HD12 LEU 99 2HD1 LEU 99 -3.775 -3.908 -2.974 1127 HD13 LEU 99 3HD1 LEU 99 -4.434 -2.456 -2.221 1128 HD21 LEU 99 1HD2 LEU 99 -5.129 -6.039 -2.911 1129 HD22 LEU 99 2HD2 LEU 99 -6.562 -5.195 -3.499 1130 HD23 LEU 99 3HD2 LEU 99 -6.625 -6.084 -1.977 1131 H LEU 100 H LEU 100 -4.911 -4.355 2.783 1132 HA LEU 100 HA LEU 100 -2.831 -6.140 3.233 1133 HB2 LEU 100 2HB LEU 100 -4.420 -4.389 5.067 1134 HB3 LEU 100 1HB LEU 100 -3.219 -5.491 5.721 1135 HG LEU 100 HG LEU 100 -2.645 -3.379 3.643 1136 HD11 LEU 100 1HD1 LEU 100 -1.474 -2.167 5.430 1137 HD12 LEU 100 2HD1 LEU 100 -2.041 -3.352 6.605 1138 HD13 LEU 100 3HD1 LEU 100 -3.198 -2.313 5.773 1139 HD21 LEU 100 1HD2 LEU 100 -1.182 -5.317 3.528 1140 HD22 LEU 100 2HD2 LEU 100 -0.802 -5.138 5.241 1141 HD23 LEU 100 3HD2 LEU 100 -0.316 -3.889 4.094 1142 HA PRO 101 HA PRO 101 -5.728 -8.857 6.027 1143 HB2 PRO 101 2HB PRO 101 -8.407 -8.686 5.543 1144 HB3 PRO 101 1HB PRO 101 -7.580 -7.741 6.789 1145 HG2 PRO 101 2HG PRO 101 -8.366 -6.934 4.012 1146 HG3 PRO 101 1HG PRO 101 -8.551 -6.036 5.531 1147 HD2 PRO 101 2HD PRO 101 -6.552 -5.501 3.827 1148 HD3 PRO 101 1HD PRO 101 -6.317 -5.419 5.586 1149 H LYS 102 H LYS 102 -6.328 -8.136 2.688 1150 HA LYS 102 HA LYS 102 -7.612 -10.486 1.851 1151 HB2 LYS 102 2HB LYS 102 -7.446 -8.527 0.410 1152 HB3 LYS 102 1HB LYS 102 -5.697 -8.674 0.361 1153 HG2 LYS 102 2HG LYS 102 -6.110 -10.972 -0.697 1154 HG3 LYS 102 1HG LYS 102 -7.762 -10.407 -0.948 1155 HD2 LYS 102 2HD LYS 102 -7.081 -8.697 -2.395 1156 HD3 LYS 102 1HD LYS 102 -5.408 -8.770 -1.839 1157 HE2 LYS 102 2HE LYS 102 -5.410 -11.155 -2.806 1158 HE3 LYS 102 1HE LYS 102 -6.873 -10.659 -3.657 1159 HZ1 LYS 102 1HZ LYS 102 -5.715 -9.283 -5.019 1160 HZ2 LYS 102 2HZ LYS 102 -4.457 -10.363 -4.685 1161 HZ3 LYS 102 3HZ LYS 102 -4.557 -8.891 -3.855 1162 H PHE 103 H PHE 103 -4.333 -9.823 2.712 1163 HA PHE 103 HA PHE 103 -3.579 -12.570 1.953 1164 HB2 PHE 103 2HB PHE 103 -1.847 -10.103 2.157 1165 HB3 PHE 103 1HB PHE 103 -1.231 -11.732 1.905 1166 HD1 PHE 103 1HD PHE 103 -1.487 -12.842 -0.213 1167 HD2 PHE 103 2HD PHE 103 -2.994 -8.917 0.417 1168 HE1 PHE 103 1HE PHE 103 -1.729 -12.546 -2.643 1169 HE2 PHE 103 2HE PHE 103 -3.241 -8.617 -2.006 1170 HZ PHE 103 HZ PHE 103 -2.609 -10.430 -3.535 1171 H LYS 104 H LYS 104 -3.498 -10.055 4.385 1172 HA LYS 104 HA LYS 104 -1.856 -11.462 6.220 1173 HB2 LYS 104 2HB LYS 104 -2.016 -9.093 6.448 1174 HB3 LYS 104 1HB LYS 104 -3.770 -9.154 6.545 1175 HG2 LYS 104 2HG LYS 104 -3.352 -10.577 8.669 1176 HG3 LYS 104 1HG LYS 104 -1.736 -9.871 8.607 1177 HD2 LYS 104 2HD LYS 104 -2.603 -7.666 8.789 1178 HD3 LYS 104 1HD LYS 104 -4.257 -8.229 8.537 1179 HE2 LYS 104 2HE LYS 104 -4.252 -9.364 10.654 1180 HE3 LYS 104 1HE LYS 104 -2.539 -9.013 10.887 1181 HZ1 LYS 104 1HZ LYS 104 -3.082 -6.651 10.952 1182 HZ2 LYS 104 2HZ LYS 104 -3.907 -7.500 12.161 1183 HZ3 LYS 104 3HZ LYS 104 -4.733 -7.006 10.766 1184 H ARG 105 H ARG 105 -2.411 -13.330 6.988 1185 HA ARG 105 HA ARG 105 -4.851 -13.595 8.534 1186 HB2 ARG 105 2HB ARG 105 -4.621 -14.753 5.943 1187 HB3 ARG 105 1HB ARG 105 -4.447 -16.061 7.104 1188 HG2 ARG 105 2HG ARG 105 -6.730 -15.992 6.656 1189 HG3 ARG 105 1HG ARG 105 -6.571 -15.138 8.191 1190 HD2 ARG 105 2HD ARG 105 -6.483 -13.000 6.846 1191 HD3 ARG 105 1HD ARG 105 -6.962 -13.962 5.449 1192 HE ARG 105 HE ARG 105 -8.803 -14.499 7.442 1193 HH11 ARG 105 1HH1 ARG 105 -7.751 -11.719 5.591 1194 HH12 ARG 105 2HH1 ARG 105 -9.293 -10.907 5.690 1195 HH21 ARG 105 1HH2 ARG 105 -10.834 -13.410 7.573 1196 HH22 ARG 105 2HH2 ARG 105 -11.024 -11.852 6.814 1197 H LYS 106 H LYS 106 -3.614 -13.669 10.347 1198 HA LYS 106 HA LYS 106 -2.278 -16.107 10.996 1199 HB2 LYS 106 2HB LYS 106 -0.704 -13.724 10.177 1200 HB3 LYS 106 1HB LYS 106 -0.177 -14.517 11.652 1201 HG2 LYS 106 2HG LYS 106 0.408 -16.465 10.549 1202 HG3 LYS 106 1HG LYS 106 -0.626 -16.112 9.164 1203 HD2 LYS 106 2HD LYS 106 1.740 -14.388 9.841 1204 HD3 LYS 106 1HD LYS 106 1.912 -15.848 8.866 1205 HE2 LYS 106 2HE LYS 106 0.331 -14.973 7.237 1206 HE3 LYS 106 1HE LYS 106 0.072 -13.540 8.231 1207 HZ1 LYS 106 1HZ LYS 106 2.708 -14.288 7.088 1208 HZ2 LYS 106 2HZ LYS 106 2.296 -12.834 7.850 1209 HZ3 LYS 106 3HZ LYS 106 1.636 -13.212 6.342 1210 H ALA 107 H ALA 107 -1.006 -15.572 13.222 1211 HA ALA 107 HA ALA 107 -2.928 -14.063 14.851 1212 HB1 ALA 107 1HB ALA 107 -2.147 -15.417 16.741 1213 HB2 ALA 107 2HB ALA 107 -1.004 -16.239 15.680 1214 HB3 ALA 107 3HB ALA 107 -2.738 -16.435 15.427 1215 H ASN 108 H ASN 108 -0.585 -13.139 13.278 1216 HA ASN 108 HA ASN 108 0.425 -11.200 15.057 1217 HB2 ASN 108 2HB ASN 108 1.767 -13.266 15.736 1218 HB3 ASN 108 1HB ASN 108 2.487 -13.217 14.131 1219 HD21 ASN 108 1HD2 ASN 108 4.538 -12.784 14.756 1220 HD22 ASN 108 2HD2 ASN 108 5.023 -11.312 15.514 Start of MODEL 2 1 H ARG 390 2HT ARG 390 13.488 16.279 -2.135 2 HA ARG 390 HA ARG 390 12.221 18.293 -2.309 3 HB2 ARG 390 2HB ARG 390 14.838 19.287 -3.294 4 HB3 ARG 390 1HB ARG 390 13.411 19.922 -4.101 5 HG2 ARG 390 2HG ARG 390 13.956 20.038 -1.142 6 HG3 ARG 390 1HG ARG 390 14.129 21.372 -2.285 7 HD2 ARG 390 2HD ARG 390 11.577 19.921 -1.593 8 HD3 ARG 390 1HD ARG 390 12.023 21.553 -1.094 9 HE ARG 390 HE ARG 390 12.150 21.696 -3.789 10 HH11 ARG 390 1HH1 ARG 390 9.671 20.524 -1.612 11 HH12 ARG 390 2HH1 ARG 390 8.352 20.949 -2.670 12 HH21 ARG 390 1HH2 ARG 390 10.441 22.289 -5.168 13 HH22 ARG 390 2HH2 ARG 390 8.798 21.971 -4.677 14 H ARG 391 H ARG 391 11.820 19.397 -4.803 15 HA ARG 391 HA ARG 391 11.048 17.044 -6.311 16 HB2 ARG 391 2HB ARG 391 10.520 19.992 -6.638 17 HB3 ARG 391 1HB ARG 391 10.074 18.832 -7.879 18 HG2 ARG 391 2HG ARG 391 8.767 17.624 -6.073 19 HG3 ARG 391 1HG ARG 391 9.014 19.066 -5.084 20 HD2 ARG 391 2HD ARG 391 7.974 20.424 -6.862 21 HD3 ARG 391 1HD ARG 391 7.670 18.951 -7.782 22 HE ARG 391 HE ARG 391 6.565 19.170 -5.071 23 HH11 ARG 391 1HH1 ARG 391 6.010 19.153 -8.542 24 HH12 ARG 391 2HH1 ARG 391 4.309 18.872 -8.385 25 HH21 ARG 391 1HH2 ARG 391 4.375 18.808 -4.870 26 HH22 ARG 391 2HH2 ARG 391 3.360 18.662 -6.279 27 H ARG 392 H ARG 392 13.322 19.659 -6.454 28 HA ARG 392 HA ARG 392 14.643 18.371 -8.739 29 HB2 ARG 392 2HB ARG 392 14.145 21.347 -8.440 30 HB3 ARG 392 1HB ARG 392 15.147 20.612 -9.683 31 HG2 ARG 392 2HG ARG 392 13.330 19.732 -10.815 32 HG3 ARG 392 1HG ARG 392 12.282 19.811 -9.397 33 HD2 ARG 392 2HD ARG 392 13.321 22.177 -10.955 34 HD3 ARG 392 1HD ARG 392 11.695 21.506 -11.071 35 HE ARG 392 HE ARG 392 12.184 22.129 -8.389 36 HH11 ARG 392 1HH1 ARG 392 11.776 23.785 -11.446 37 HH12 ARG 392 2HH1 ARG 392 11.159 25.233 -10.725 38 HH21 ARG 392 1HH2 ARG 392 11.388 24.020 -7.424 39 HH22 ARG 392 2HH2 ARG 392 10.939 25.373 -8.426 40 H THR 393 H THR 393 16.739 20.264 -8.901 41 HA THR 393 HA THR 393 18.327 19.451 -6.660 42 HB THR 393 HB THR 393 19.724 21.406 -8.115 43 HG1 THR 393 1HG THR 393 19.332 20.691 -10.278 44 HG21 THR 393 1HG2 THR 393 20.663 19.323 -7.259 45 HG22 THR 393 2HG2 THR 393 20.966 19.466 -8.991 46 HG23 THR 393 3HG2 THR 393 19.691 18.399 -8.403 47 H GLU 394 H GLU 394 16.009 21.407 -6.382 48 HA GLU 394 HA GLU 394 16.820 23.990 -5.787 49 HB2 GLU 394 2HB GLU 394 14.705 22.438 -4.288 50 HB3 GLU 394 1HB GLU 394 14.786 24.180 -4.518 51 HG2 GLU 394 2HG GLU 394 13.919 24.087 -6.599 52 HG3 GLU 394 1HG GLU 394 14.696 22.550 -6.973 53 H ALA 395 H ALA 395 16.753 21.125 -3.713 54 HA ALA 395 HA ALA 395 18.436 22.578 -1.781 55 HB1 ALA 395 1HB ALA 395 16.493 20.356 -1.150 56 HB2 ALA 395 2HB ALA 395 16.172 22.073 -0.907 57 HB3 ALA 395 3HB ALA 395 17.458 21.279 0.004 58 H LEU 396 H LEU 396 19.722 21.476 -3.812 59 HA LEU 396 HA LEU 396 21.322 19.995 -4.459 60 HB2 LEU 396 2HB LEU 396 22.138 20.738 -2.156 61 HB3 LEU 396 1HB LEU 396 21.510 19.217 -1.552 62 HG LEU 396 HG LEU 396 23.032 18.028 -3.147 63 HD11 LEU 396 1HD1 LEU 396 24.896 19.284 -4.108 64 HD12 LEU 396 2HD1 LEU 396 24.179 20.790 -3.536 65 HD13 LEU 396 3HD1 LEU 396 23.348 19.825 -4.756 66 HD21 LEU 396 1HD2 LEU 396 23.607 18.316 -0.791 67 HD22 LEU 396 2HD2 LEU 396 24.357 19.869 -1.159 68 HD23 LEU 396 3HD2 LEU 396 25.042 18.382 -1.813 69 H GLY 397 H GLY 397 18.796 19.080 -4.819 70 HA2 GLY 397 2HA GLY 397 17.957 17.031 -5.581 71 HA3 GLY 397 1HA GLY 397 19.187 16.203 -4.631 72 H ASP 398 H ASP 398 18.911 16.181 -2.293 73 HA ASP 398 HA ASP 398 16.350 16.838 -1.178 74 HB2 ASP 398 2HB ASP 398 16.048 14.585 -2.404 75 HB3 ASP 398 1HB ASP 398 17.050 13.908 -1.124 76 H ALA 399 H ALA 399 18.189 18.033 -0.130 77 HA ALA 399 HA ALA 399 19.397 16.419 2.021 78 HB1 ALA 399 1HB ALA 399 20.314 19.083 0.936 79 HB2 ALA 399 2HB ALA 399 21.023 17.517 0.540 80 HB3 ALA 399 3HB ALA 399 21.115 18.136 2.190 81 H GLU 400 H GLU 400 16.703 17.500 1.932 82 HA GLU 400 HA GLU 400 16.662 19.728 3.762 83 HB2 GLU 400 2HB GLU 400 14.125 19.223 3.636 84 HB3 GLU 400 1HB GLU 400 14.936 19.851 2.207 85 HG2 GLU 400 2HG GLU 400 15.127 17.033 2.129 86 HG3 GLU 400 1HG GLU 400 13.458 17.446 2.511 87 H GLU 401 H GLU 401 14.118 18.539 4.962 88 HA GLU 401 HA GLU 401 15.386 17.557 7.340 89 HB2 GLU 401 2HB GLU 401 12.784 17.166 7.868 90 HB3 GLU 401 1HB GLU 401 13.568 18.731 8.017 91 HG2 GLU 401 2HG GLU 401 11.500 19.046 6.888 92 HG3 GLU 401 1HG GLU 401 12.793 19.271 5.715 93 H ASP 402 H ASP 402 15.159 15.522 8.287 94 HA ASP 402 HA ASP 402 14.924 13.363 6.384 95 HB2 ASP 402 2HB ASP 402 16.729 13.332 8.066 96 HB3 ASP 402 1HB ASP 402 15.529 13.287 9.354 97 H GLU 403 H GLU 403 13.638 11.446 6.888 98 HA GLU 403 HA GLU 403 10.912 12.184 7.421 99 HB2 GLU 403 2HB GLU 403 12.361 9.741 6.507 100 HB3 GLU 403 1HB GLU 403 10.760 9.530 7.200 101 HG2 GLU 403 2HG GLU 403 10.790 9.700 4.732 102 HG3 GLU 403 1HG GLU 403 9.770 10.896 5.524 103 H ASP 404 H ASP 404 10.092 12.304 9.444 104 HA ASP 404 HA ASP 404 11.487 11.082 11.634 105 HB2 ASP 404 2HB ASP 404 9.533 11.984 13.004 106 HB3 ASP 404 1HB ASP 404 10.570 13.162 12.222 107 H ASP 405 H ASP 405 11.388 9.043 11.954 108 HA ASP 405 HA ASP 405 9.231 7.399 11.050 109 HB2 ASP 405 2HB ASP 405 11.495 6.599 12.886 110 HB3 ASP 405 1HB ASP 405 10.531 5.548 11.855 111 H GLU 406 H GLU 406 8.604 9.437 13.077 112 HA GLU 406 HA GLU 406 7.398 7.651 15.066 113 HB2 GLU 406 2HB GLU 406 9.311 8.723 16.134 114 HB3 GLU 406 1HB GLU 406 8.759 10.301 15.597 115 HG2 GLU 406 2HG GLU 406 8.283 10.021 17.934 116 HG3 GLU 406 1HG GLU 406 6.777 10.077 17.022 117 H ASP 407 H ASP 407 5.477 8.514 16.084 118 HA ASP 407 HA ASP 407 3.495 9.504 16.157 119 HB2 ASP 407 2HB ASP 407 4.751 11.583 16.318 120 HB3 ASP 407 1HB ASP 407 4.759 11.709 14.566 121 H PHE 408 H PHE 408 3.159 7.561 14.829 122 HA PHE 408 HA PHE 408 1.677 8.337 12.409 123 HB2 PHE 408 2HB PHE 408 3.330 5.820 12.825 124 HB3 PHE 408 1HB PHE 408 2.156 6.014 11.541 125 HD1 PHE 408 1HD PHE 408 2.954 6.569 9.491 126 HD2 PHE 408 2HD PHE 408 5.089 7.848 12.933 127 HE1 PHE 408 1HE PHE 408 4.664 7.583 8.048 128 HE2 PHE 408 2HE PHE 408 6.799 8.869 11.498 129 HZ PHE 408 HZ PHE 408 6.580 8.742 9.059 130 H VAL 409 H VAL 409 -0.339 7.854 12.536 131 HA VAL 409 HA VAL 409 -1.279 6.476 14.886 132 HB VAL 409 HB VAL 409 -3.529 7.280 13.972 133 HG11 VAL 409 1HG1 VAL 409 -2.196 8.319 15.705 134 HG12 VAL 409 2HG1 VAL 409 -2.980 9.534 14.690 135 HG13 VAL 409 3HG1 VAL 409 -1.268 9.165 14.467 136 HG21 VAL 409 1HG2 VAL 409 -3.397 9.140 12.409 137 HG22 VAL 409 2HG2 VAL 409 -2.933 7.615 11.657 138 HG23 VAL 409 3HG2 VAL 409 -1.694 8.773 12.138 139 H GLU 410 H GLU 410 -1.741 4.462 14.930 140 HA GLU 410 HA GLU 410 -1.196 2.770 12.840 141 HB2 GLU 410 2HB GLU 410 -1.395 2.223 15.325 142 HB3 GLU 410 1HB GLU 410 -3.118 2.014 15.025 143 HG2 GLU 410 2HG GLU 410 -2.689 -0.070 14.412 144 HG3 GLU 410 1HG GLU 410 -1.840 0.579 13.008 145 H VAL 411 H VAL 411 -2.211 2.135 11.154 146 HA VAL 411 HA VAL 411 -4.995 2.898 10.730 147 HB VAL 411 HB VAL 411 -3.072 1.895 8.610 148 HG11 VAL 411 1HG1 VAL 411 -4.591 3.100 7.135 149 HG12 VAL 411 2HG1 VAL 411 -5.548 3.621 8.521 150 HG13 VAL 411 3HG1 VAL 411 -5.477 1.913 8.090 151 HG21 VAL 411 1HG2 VAL 411 -3.548 4.717 9.441 152 HG22 VAL 411 2HG2 VAL 411 -2.581 4.155 8.075 153 HG23 VAL 411 3HG2 VAL 411 -2.081 3.781 9.727 154 HA PRO 412 HA PRO 412 -5.786 -1.472 11.497 155 HB2 PRO 412 2HB PRO 412 -8.452 -1.236 11.654 156 HB3 PRO 412 1HB PRO 412 -7.400 -0.625 12.941 157 HG2 PRO 412 2HG PRO 412 -8.642 0.880 10.651 158 HG3 PRO 412 1HG PRO 412 -8.647 1.293 12.378 159 HD2 PRO 412 2HD PRO 412 -6.898 2.395 10.658 160 HD3 PRO 412 1HD PRO 412 -6.453 2.024 12.337 161 H GLU 413 H GLU 413 -7.311 -3.083 10.489 162 HA GLU 413 HA GLU 413 -7.288 -2.770 7.593 163 HB2 GLU 413 2HB GLU 413 -8.338 -5.235 8.891 164 HB3 GLU 413 1HB GLU 413 -7.315 -5.066 7.470 165 HG2 GLU 413 2HG GLU 413 -5.890 -4.171 9.780 166 HG3 GLU 413 1HG GLU 413 -6.561 -5.775 10.077 167 H LYS 414 H LYS 414 -9.226 -3.156 6.308 168 HA LYS 414 HA LYS 414 -11.682 -2.729 7.860 169 HB2 LYS 414 2HB LYS 414 -10.728 -1.381 5.402 170 HB3 LYS 414 1HB LYS 414 -12.458 -1.637 5.600 171 HG2 LYS 414 2HG LYS 414 -12.628 -0.015 7.110 172 HG3 LYS 414 1HG LYS 414 -11.211 -0.581 7.998 173 HD2 LYS 414 2HD LYS 414 -10.565 1.524 7.264 174 HD3 LYS 414 1HD LYS 414 -9.863 0.442 6.061 175 HE2 LYS 414 2HE LYS 414 -11.340 1.063 4.429 176 HE3 LYS 414 1HE LYS 414 -12.588 1.539 5.580 177 HZ1 LYS 414 1HZ LYS 414 -11.255 3.347 4.287 178 HZ2 LYS 414 2HZ LYS 414 -10.067 3.058 5.458 179 HZ3 LYS 414 3HZ LYS 414 -11.605 3.577 5.928 180 H GLU 415 H GLU 415 -10.403 -4.048 4.844 181 HA GLU 415 HA GLU 415 -11.017 -5.770 3.527 182 HB2 GLU 415 2HB GLU 415 -10.833 -6.940 5.775 183 HB3 GLU 415 1HB GLU 415 -12.589 -6.873 5.843 184 HG2 GLU 415 2HG GLU 415 -11.449 -9.004 4.954 185 HG3 GLU 415 1HG GLU 415 -12.848 -8.360 4.095 186 H GLY 416 H GLY 416 -13.968 -5.438 5.500 187 HA2 GLY 416 2HA GLY 416 -15.608 -5.678 3.122 188 HA3 GLY 416 1HA GLY 416 -16.181 -5.520 4.776 189 H TYR 417 H TYR 417 -14.341 -3.580 2.439 190 HA TYR 417 HA TYR 417 -16.274 -1.420 2.707 191 HB2 TYR 417 2HB TYR 417 -14.934 -0.584 4.377 192 HB3 TYR 417 1HB TYR 417 -13.487 -1.361 3.757 193 HD1 TYR 417 1HD TYR 417 -11.972 -0.192 2.390 194 HD2 TYR 417 2HD TYR 417 -15.729 1.562 3.320 195 HE1 TYR 417 1HE TYR 417 -11.168 1.948 1.514 196 HE2 TYR 417 2HE TYR 417 -14.936 3.714 2.434 197 HH TYR 417 HH TYR 417 -11.867 4.514 2.009 198 H GLU 418 H GLU 418 -13.085 -2.215 1.377 199 HA GLU 418 HA GLU 418 -12.164 -2.105 -0.655 200 HB2 GLU 418 2HB GLU 418 -15.049 -2.256 -1.456 201 HB3 GLU 418 1HB GLU 418 -13.774 -2.100 -2.660 202 HG2 GLU 418 2HG GLU 418 -14.270 -4.346 -0.738 203 HG3 GLU 418 1HG GLU 418 -14.158 -4.399 -2.497 204 HA PRO 419 HA PRO 419 -11.459 2.082 -1.590 205 HB2 PRO 419 2HB PRO 419 -10.628 1.959 -4.184 206 HB3 PRO 419 1HB PRO 419 -9.637 1.475 -2.804 207 HG2 PRO 419 2HG PRO 419 -11.260 -0.222 -4.658 208 HG3 PRO 419 1HG PRO 419 -9.626 -0.500 -4.027 209 HD2 PRO 419 2HD PRO 419 -11.773 -1.741 -2.993 210 HD3 PRO 419 1HD PRO 419 -10.405 -1.238 -1.979 211 H HIS 420 H HIS 420 -13.960 2.309 -1.493 212 HA HIS 420 HA HIS 420 -14.643 4.038 -3.651 213 HB2 HIS 420 2HB HIS 420 -15.291 1.739 -4.539 214 HB3 HIS 420 1HB HIS 420 -16.534 1.725 -3.291 215 HD1 HIS 420 1HD HIS 420 -17.532 1.629 -6.130 216 HD2 HIS 420 2HD HIS 420 -16.797 5.221 -4.144 217 HE1 HIS 420 1HE HIS 420 -18.906 3.390 -7.310 218 H ILE 421 H ILE 421 -14.907 5.594 -2.258 219 HA ILE 421 HA ILE 421 -17.427 5.792 -1.004 220 HB ILE 421 HB ILE 421 -15.665 4.535 0.645 221 HG12 ILE 421 2HG1 ILE 421 -17.658 6.504 1.716 222 HG13 ILE 421 1HG1 ILE 421 -18.178 5.116 0.769 223 HG21 ILE 421 1HG2 ILE 421 -15.525 7.455 1.398 224 HG22 ILE 421 2HG2 ILE 421 -14.185 6.504 0.759 225 HG23 ILE 421 3HG2 ILE 421 -14.882 6.102 2.329 226 HD11 ILE 421 1HD1 ILE 421 -18.332 4.689 3.164 227 HD12 ILE 421 2HD1 ILE 421 -16.603 4.994 3.332 228 HD13 ILE 421 3HD1 ILE 421 -17.167 3.613 2.391 229 HA PRO 422 HA PRO 422 -16.620 9.970 -2.002 230 HB2 PRO 422 2HB PRO 422 -18.189 11.173 -0.073 231 HB3 PRO 422 1HB PRO 422 -18.811 10.491 -1.580 232 HG2 PRO 422 2HG PRO 422 -18.694 9.262 1.149 233 HG3 PRO 422 1HG PRO 422 -20.030 9.260 -0.022 234 HD2 PRO 422 2HD PRO 422 -18.469 7.129 0.249 235 HD3 PRO 422 1HD PRO 422 -19.009 7.652 -1.363 236 H ASP 423 H ASP 423 -15.092 11.472 -1.413 237 HA ASP 423 HA ASP 423 -13.670 11.015 1.074 238 HB2 ASP 423 2HB ASP 423 -12.471 11.319 -1.109 239 HB3 ASP 423 1HB ASP 423 -13.010 12.993 -1.116 240 H HIS 424 H HIS 424 -14.471 11.943 2.812 241 HA HIS 424 HA HIS 424 -15.347 14.755 2.663 242 HB2 HIS 424 2HB HIS 424 -16.086 12.715 4.776 243 HB3 HIS 424 1HB HIS 424 -16.701 14.357 4.646 244 HD1 HIS 424 1HD HIS 424 -18.472 14.809 2.716 245 HD2 HIS 424 2HD HIS 424 -17.302 10.841 3.220 246 HE1 HIS 424 1HE HIS 424 -20.176 13.398 1.487 247 H LEU 425 H LEU 425 -12.646 13.525 2.975 248 HA LEU 425 HA LEU 425 -11.970 14.567 5.646 249 HB2 LEU 425 2HB LEU 425 -10.305 12.735 3.923 250 HB3 LEU 425 1HB LEU 425 -10.035 13.146 5.607 251 HG LEU 425 HG LEU 425 -12.506 11.667 4.709 252 HD11 LEU 425 1HD1 LEU 425 -11.368 9.599 5.365 253 HD12 LEU 425 2HD1 LEU 425 -9.870 10.499 5.602 254 HD13 LEU 425 3HD1 LEU 425 -10.576 10.370 3.992 255 HD21 LEU 425 1HD2 LEU 425 -11.088 11.845 7.370 256 HD22 LEU 425 2HD2 LEU 425 -12.587 10.978 7.036 257 HD23 LEU 425 3HD2 LEU 425 -12.541 12.738 6.924 258 H ARG 426 H ARG 426 -12.006 16.728 4.807 259 HA ARG 426 HA ARG 426 -9.748 17.357 3.018 260 HB2 ARG 426 2HB ARG 426 -12.351 18.772 3.568 261 HB3 ARG 426 1HB ARG 426 -10.988 19.619 2.854 262 HG2 ARG 426 2HG ARG 426 -12.343 18.983 1.056 263 HG3 ARG 426 1HG ARG 426 -11.004 17.837 1.052 264 HD2 ARG 426 2HD ARG 426 -13.316 16.870 0.686 265 HD3 ARG 426 1HD ARG 426 -12.341 16.114 1.943 266 HE ARG 426 HE ARG 426 -13.674 17.492 3.559 267 HH11 ARG 426 1HH1 ARG 426 -14.999 16.700 0.401 268 HH12 ARG 426 2HH1 ARG 426 -16.648 16.774 0.941 269 HH21 ARG 426 1HH2 ARG 426 -15.834 17.517 4.271 270 HH22 ARG 426 2HH2 ARG 426 -17.118 17.166 3.131 271 HA PRO 427 HA PRO 427 -7.966 19.053 6.771 272 HB2 PRO 427 2HB PRO 427 -5.650 19.724 5.152 273 HB3 PRO 427 1HB PRO 427 -5.795 18.505 6.419 274 HG2 PRO 427 2HG PRO 427 -5.475 17.900 3.781 275 HG3 PRO 427 1HG PRO 427 -6.299 16.839 4.937 276 HD2 PRO 427 2HD PRO 427 -7.465 18.708 2.909 277 HD3 PRO 427 1HD PRO 427 -7.998 17.079 3.381 278 H GLU 428 H GLU 428 -9.762 20.711 5.988 279 HA GLU 428 HA GLU 428 -8.384 23.277 5.629 280 HB2 GLU 428 2HB GLU 428 -10.057 22.041 3.720 281 HB3 GLU 428 1HB GLU 428 -11.000 23.345 4.426 282 HG2 GLU 428 2HG GLU 428 -8.211 23.802 3.439 283 HG3 GLU 428 1HG GLU 428 -9.595 23.845 2.347 284 H TYR 429 H TYR 429 -10.404 25.013 5.881 285 HA TYR 429 HA TYR 429 -11.765 24.259 8.385 286 HB2 TYR 429 2HB TYR 429 -11.459 26.777 8.963 287 HB3 TYR 429 1HB TYR 429 -10.108 25.677 9.203 288 HD1 TYR 429 1HD TYR 429 -8.127 25.822 7.820 289 HD2 TYR 429 2HD TYR 429 -11.422 28.432 7.162 290 HE1 TYR 429 1HE TYR 429 -6.710 27.243 6.401 291 HE2 TYR 429 2HE TYR 429 -10.012 29.860 5.739 292 HH TYR 429 HH TYR 429 -7.196 28.917 4.425 293 H GLY 430 H GLY 430 -11.844 25.931 5.344 294 HA2 GLY 430 2HA GLY 430 -14.664 26.669 5.849 295 HA3 GLY 430 1HA GLY 430 -13.600 27.520 4.734 296 H LEU 431 H LEU 431 -12.444 24.961 3.787 297 HA LEU 431 HA LEU 431 -14.482 24.395 1.796 298 HB2 LEU 431 2HB LEU 431 -11.639 23.416 2.070 299 HB3 LEU 431 1HB LEU 431 -12.695 23.043 0.721 300 HG LEU 431 HG LEU 431 -11.722 25.800 1.484 301 HD11 LEU 431 1HD1 LEU 431 -10.426 25.669 -0.579 302 HD12 LEU 431 2HD1 LEU 431 -10.986 24.016 -0.832 303 HD13 LEU 431 3HD1 LEU 431 -9.959 24.398 0.551 304 HD21 LEU 431 1HD2 LEU 431 -13.405 24.877 -0.844 305 HD22 LEU 431 2HD2 LEU 431 -12.735 26.495 -0.644 306 HD23 LEU 431 3HD2 LEU 431 -13.937 25.892 0.496 307 H GLU 432 H GLU 432 -14.005 23.301 4.784 308 HA GLU 432 HA GLU 432 -14.661 20.504 4.163 309 HB2 GLU 432 2HB GLU 432 -12.681 20.841 5.604 310 HB3 GLU 432 1HB GLU 432 -13.671 21.731 6.751 311 HG2 GLU 432 2HG GLU 432 -13.144 19.332 7.327 312 HG3 GLU 432 1HG GLU 432 -14.839 19.806 7.407 313 H ALA 433 H ALA 433 -16.784 20.167 4.123 314 HA ALA 433 HA ALA 433 -18.460 20.759 6.329 315 HB1 ALA 433 1HB ALA 433 -18.977 22.398 3.849 316 HB2 ALA 433 2HB ALA 433 -18.367 23.020 5.382 317 HB3 ALA 433 3HB ALA 433 -19.991 22.339 5.291 318 H ALA 434 H ALA 434 -18.320 20.048 2.869 319 HA ALA 434 HA ALA 434 -20.406 18.017 3.284 320 HB1 ALA 434 1HB ALA 434 -21.260 18.455 1.046 321 HB2 ALA 434 2HB ALA 434 -20.056 19.724 0.820 322 HB3 ALA 434 3HB ALA 434 -21.322 19.917 2.032 323 H MET 1 2HT MET 1 2.573 -8.856 -13.602 324 HA MET 1 HA MET 1 0.630 -10.761 -14.765 325 HB2 MET 1 2HB MET 1 1.909 -9.546 -16.501 326 HB3 MET 1 1HB MET 1 3.407 -10.033 -15.722 327 HG2 MET 1 2HG MET 1 2.838 -12.386 -16.143 328 HG3 MET 1 1HG MET 1 1.375 -11.865 -16.976 329 HE1 MET 1 1HE MET 1 5.274 -12.024 -17.031 330 HE2 MET 1 2HE MET 1 5.008 -10.282 -17.039 331 HE3 MET 1 3HE MET 1 5.672 -11.080 -18.465 332 H ALA 2 H ALA 2 4.131 -10.823 -14.246 333 HA ALA 2 HA ALA 2 4.243 -12.285 -11.887 334 HB1 ALA 2 1HB ALA 2 3.049 -14.048 -13.116 335 HB2 ALA 2 2HB ALA 2 4.675 -14.559 -12.664 336 HB3 ALA 2 3HB ALA 2 4.335 -14.071 -14.324 337 H THR 3 H THR 3 5.896 -10.509 -12.100 338 HA THR 3 HA THR 3 8.437 -11.711 -12.834 339 HB THR 3 HB THR 3 7.682 -9.052 -14.065 340 HG1 THR 3 1HG THR 3 7.330 -11.652 -14.947 341 HG21 THR 3 1HG2 THR 3 10.077 -10.847 -14.483 342 HG22 THR 3 2HG2 THR 3 10.072 -9.320 -13.601 343 HG23 THR 3 3HG2 THR 3 9.758 -9.337 -15.336 344 H SER 4 H SER 4 7.532 -8.312 -12.416 345 HA SER 4 HA SER 4 8.488 -8.234 -9.695 346 HB2 SER 4 2HB SER 4 9.928 -6.590 -11.797 347 HB3 SER 4 1HB SER 4 10.278 -6.641 -10.069 348 HG SER 4 HG SER 4 10.404 -9.120 -10.850 349 H SER 5 H SER 5 7.959 -6.096 -12.487 350 HA SER 5 HA SER 5 6.419 -4.271 -10.854 351 HB2 SER 5 2HB SER 5 6.797 -4.051 -13.835 352 HB3 SER 5 1HB SER 5 6.590 -2.760 -12.651 353 HG SER 5 HG SER 5 8.717 -2.714 -12.971 354 H GLU 6 H GLU 6 4.685 -5.678 -10.347 355 HA GLU 6 HA GLU 6 3.085 -6.789 -12.475 356 HB2 GLU 6 2HB GLU 6 3.310 -7.123 -9.592 357 HB3 GLU 6 1HB GLU 6 1.638 -7.074 -10.135 358 HG2 GLU 6 2HG GLU 6 2.714 -9.350 -10.010 359 HG3 GLU 6 1HG GLU 6 1.922 -8.939 -11.530 360 H GLU 7 H GLU 7 0.599 -6.552 -11.995 361 HA GLU 7 HA GLU 7 -0.230 -4.129 -12.964 362 HB2 GLU 7 2HB GLU 7 -1.713 -6.164 -11.301 363 HB3 GLU 7 1HB GLU 7 -2.503 -4.777 -12.037 364 HG2 GLU 7 2HG GLU 7 -2.820 -6.735 -13.404 365 HG3 GLU 7 1HG GLU 7 -1.806 -5.568 -14.251 366 H VAL 8 H VAL 8 0.083 -2.211 -12.127 367 HA VAL 8 HA VAL 8 0.219 -1.778 -9.281 368 HB VAL 8 HB VAL 8 0.230 0.339 -11.435 369 HG11 VAL 8 1HG1 VAL 8 1.454 1.643 -9.795 370 HG12 VAL 8 2HG1 VAL 8 1.408 0.292 -8.662 371 HG13 VAL 8 3HG1 VAL 8 -0.087 1.106 -9.126 372 HG21 VAL 8 1HG2 VAL 8 2.678 0.195 -11.405 373 HG22 VAL 8 2HG2 VAL 8 1.944 -1.302 -11.979 374 HG23 VAL 8 3HG2 VAL 8 2.579 -1.204 -10.337 375 H LEU 9 H LEU 9 -1.563 -1.575 -8.127 376 HA LEU 9 HA LEU 9 -4.076 -0.862 -9.365 377 HB2 LEU 9 2HB LEU 9 -3.478 -1.415 -6.459 378 HB3 LEU 9 1HB LEU 9 -5.062 -1.355 -7.204 379 HG LEU 9 HG LEU 9 -2.930 -3.432 -7.705 380 HD11 LEU 9 1HD1 LEU 9 -4.526 -4.957 -6.667 381 HD12 LEU 9 2HD1 LEU 9 -5.625 -3.611 -6.369 382 HD13 LEU 9 3HD1 LEU 9 -4.059 -3.667 -5.560 383 HD21 LEU 9 1HD2 LEU 9 -4.187 -2.950 -9.751 384 HD22 LEU 9 2HD2 LEU 9 -5.699 -3.203 -8.880 385 HD23 LEU 9 3HD2 LEU 9 -4.580 -4.546 -9.113 386 H LEU 10 H LEU 10 -1.687 0.600 -7.242 387 HA LEU 10 HA LEU 10 -3.183 3.127 -7.498 388 HB2 LEU 10 2HB LEU 10 -3.479 1.942 -5.246 389 HB3 LEU 10 1HB LEU 10 -1.809 2.383 -4.935 390 HG LEU 10 HG LEU 10 -2.541 4.794 -5.436 391 HD11 LEU 10 1HD1 LEU 10 -4.697 4.285 -6.437 392 HD12 LEU 10 2HD1 LEU 10 -4.893 5.285 -4.997 393 HD13 LEU 10 3HD1 LEU 10 -5.240 3.557 -4.925 394 HD21 LEU 10 1HD2 LEU 10 -3.557 3.361 -2.990 395 HD22 LEU 10 2HD2 LEU 10 -3.331 5.104 -3.134 396 HD23 LEU 10 3HD2 LEU 10 -1.940 4.025 -3.222 397 H ILE 11 H ILE 11 -1.972 4.834 -8.034 398 HA ILE 11 HA ILE 11 0.953 4.523 -7.895 399 HB ILE 11 HB ILE 11 -0.674 5.979 -9.983 400 HG12 ILE 11 2HG1 ILE 11 1.122 3.550 -10.170 401 HG13 ILE 11 1HG1 ILE 11 -0.637 3.531 -10.234 402 HG21 ILE 11 1HG2 ILE 11 2.321 5.751 -9.705 403 HG22 ILE 11 2HG2 ILE 11 1.363 7.213 -9.476 404 HG23 ILE 11 3HG2 ILE 11 1.467 6.469 -11.071 405 HD11 ILE 11 1HD1 ILE 11 -0.585 4.798 -12.306 406 HD12 ILE 11 2HD1 ILE 11 0.353 3.311 -12.443 407 HD13 ILE 11 3HD1 ILE 11 1.177 4.858 -12.233 408 H VAL 12 H VAL 12 1.838 5.807 -6.462 409 HA VAL 12 HA VAL 12 0.682 8.484 -5.969 410 HB VAL 12 HB VAL 12 2.374 6.842 -4.068 411 HG11 VAL 12 1HG1 VAL 12 1.629 8.496 -2.403 412 HG12 VAL 12 2HG1 VAL 12 0.818 9.396 -3.686 413 HG13 VAL 12 3HG1 VAL 12 2.574 9.225 -3.701 414 HG21 VAL 12 1HG2 VAL 12 0.292 6.505 -2.796 415 HG22 VAL 12 2HG2 VAL 12 0.236 5.749 -4.387 416 HG23 VAL 12 3HG2 VAL 12 -0.611 7.269 -4.104 417 H LYS 13 H LYS 13 2.112 10.239 -6.034 418 HA LYS 13 HA LYS 13 4.783 9.565 -7.091 419 HB2 LYS 13 2HB LYS 13 3.514 12.244 -7.533 420 HB3 LYS 13 1HB LYS 13 4.743 11.429 -8.487 421 HG2 LYS 13 2HG LYS 13 2.937 11.223 -9.865 422 HG3 LYS 13 1HG LYS 13 2.798 9.722 -8.945 423 HD2 LYS 13 2HD LYS 13 1.359 11.226 -7.340 424 HD3 LYS 13 1HD LYS 13 1.160 12.209 -8.792 425 HE2 LYS 13 2HE LYS 13 -0.152 10.674 -9.805 426 HE3 LYS 13 1HE LYS 13 0.756 9.313 -9.145 427 HZ1 LYS 13 1HZ LYS 13 -1.617 10.579 -8.143 428 HZ2 LYS 13 2HZ LYS 13 -0.425 10.391 -6.953 429 HZ3 LYS 13 3HZ LYS 13 -0.991 9.039 -7.813 430 H LYS 14 H LYS 14 6.426 11.261 -6.733 431 HA LYS 14 HA LYS 14 7.878 12.149 -5.245 432 HB2 LYS 14 2HB LYS 14 5.393 13.749 -5.168 433 HB3 LYS 14 1HB LYS 14 6.660 14.162 -4.018 434 HG2 LYS 14 2HG LYS 14 7.053 13.971 -6.999 435 HG3 LYS 14 1HG LYS 14 6.714 15.471 -6.133 436 HD2 LYS 14 2HD LYS 14 8.825 15.648 -5.388 437 HD3 LYS 14 1HD LYS 14 8.934 13.928 -5.011 438 HE2 LYS 14 2HE LYS 14 8.890 14.638 -7.878 439 HE3 LYS 14 1HE LYS 14 10.332 15.116 -6.981 440 HZ1 LYS 14 1HZ LYS 14 9.485 12.425 -6.441 441 HZ2 LYS 14 2HZ LYS 14 11.020 13.016 -6.824 442 HZ3 LYS 14 3HZ LYS 14 9.907 12.669 -8.066 443 H VAL 15 H VAL 15 7.590 9.977 -4.112 444 HA VAL 15 HA VAL 15 6.696 10.438 -1.339 445 HB VAL 15 HB VAL 15 6.866 7.834 -2.870 446 HG11 VAL 15 1HG1 VAL 15 5.952 6.780 -0.851 447 HG12 VAL 15 2HG1 VAL 15 6.087 8.316 0.006 448 HG13 VAL 15 3HG1 VAL 15 7.540 7.489 -0.554 449 HG21 VAL 15 1HG2 VAL 15 4.491 9.263 -1.691 450 HG22 VAL 15 2HG2 VAL 15 4.466 7.763 -2.620 451 HG23 VAL 15 3HG2 VAL 15 4.937 9.276 -3.397 452 H ARG 16 H ARG 16 8.220 10.394 0.170 453 HA ARG 16 HA ARG 16 10.924 9.646 -0.669 454 HB2 ARG 16 2HB ARG 16 9.841 11.543 1.363 455 HB3 ARG 16 1HB ARG 16 11.469 10.906 1.544 456 HG2 ARG 16 2HG ARG 16 11.464 11.704 -1.059 457 HG3 ARG 16 1HG ARG 16 10.431 12.915 -0.291 458 HD2 ARG 16 2HD ARG 16 13.248 12.163 0.443 459 HD3 ARG 16 1HD ARG 16 12.675 13.706 -0.187 460 HE ARG 16 HE ARG 16 12.125 12.659 2.522 461 HH11 ARG 16 1HH1 ARG 16 12.549 15.291 0.264 462 HH12 ARG 16 2HH1 ARG 16 12.249 16.533 1.445 463 HH21 ARG 16 1HH2 ARG 16 11.758 14.266 4.094 464 HH22 ARG 16 2HH2 ARG 16 11.817 15.961 3.644 465 H GLN 17 H GLN 17 12.078 8.151 0.291 466 HA GLN 17 HA GLN 17 10.976 6.834 2.685 467 HB2 GLN 17 2HB GLN 17 11.255 5.652 0.256 468 HB3 GLN 17 1HB GLN 17 12.845 5.338 0.932 469 HG2 GLN 17 2HG GLN 17 10.333 4.677 2.421 470 HG3 GLN 17 1HG GLN 17 11.045 3.571 1.250 471 HE21 GLN 17 1HE2 GLN 17 10.656 3.374 4.159 472 HE22 GLN 17 2HE2 GLN 17 12.219 3.022 4.807 473 H LYS 18 H LYS 18 12.165 7.701 4.279 474 HA LYS 18 HA LYS 18 13.890 8.582 5.458 475 HB2 LYS 18 2HB LYS 18 14.818 5.971 4.382 476 HB3 LYS 18 1HB LYS 18 15.877 6.905 5.433 477 HG2 LYS 18 2HG LYS 18 13.244 5.611 6.042 478 HG3 LYS 18 1HG LYS 18 14.789 5.425 6.868 479 HD2 LYS 18 2HD LYS 18 13.254 8.013 6.842 480 HD3 LYS 18 1HD LYS 18 13.016 6.775 8.076 481 HE2 LYS 18 2HE LYS 18 15.482 6.915 8.541 482 HE3 LYS 18 1HE LYS 18 15.532 8.319 7.474 483 HZ1 LYS 18 1HZ LYS 18 13.649 9.170 9.003 484 HZ2 LYS 18 2HZ LYS 18 15.251 9.281 9.528 485 HZ3 LYS 18 3HZ LYS 18 14.242 8.035 10.110 486 H LYS 19 H LYS 19 13.953 10.333 3.712 487 HA LYS 19 HA LYS 19 15.151 11.891 2.629 488 HB2 LYS 19 2HB LYS 19 17.180 10.276 3.966 489 HB3 LYS 19 1HB LYS 19 17.780 11.296 2.659 490 HG2 LYS 19 2HG LYS 19 15.972 12.536 4.657 491 HG3 LYS 19 1HG LYS 19 17.607 12.121 5.185 492 HD2 LYS 19 2HD LYS 19 18.451 13.884 4.116 493 HD3 LYS 19 1HD LYS 19 17.701 13.375 2.603 494 HE2 LYS 19 2HE LYS 19 16.466 15.067 4.771 495 HE3 LYS 19 1HE LYS 19 16.935 15.586 3.152 496 HZ1 LYS 19 1HZ LYS 19 15.220 14.316 2.186 497 HZ2 LYS 19 2HZ LYS 19 14.510 15.129 3.500 498 HZ3 LYS 19 3HZ LYS 19 14.900 13.492 3.633 499 H GLN 20 H GLN 20 14.329 9.282 1.274 500 HA GLN 20 HA GLN 20 15.994 9.688 -1.126 501 HB2 GLN 20 2HB GLN 20 14.579 7.152 -0.269 502 HB3 GLN 20 1HB GLN 20 15.470 7.364 -1.768 503 HG2 GLN 20 2HG GLN 20 17.535 7.572 -0.596 504 HG3 GLN 20 1HG GLN 20 16.704 7.622 0.959 505 HE21 GLN 20 1HE2 GLN 20 15.714 5.724 1.735 506 HE22 GLN 20 2HE2 GLN 20 16.224 4.166 1.187 507 H ASP 21 H ASP 21 14.882 10.697 -2.669 508 HA ASP 21 HA ASP 21 12.003 10.852 -2.533 509 HB2 ASP 21 2HB ASP 21 13.161 12.871 -3.096 510 HB3 ASP 21 1HB ASP 21 14.032 12.076 -4.403 511 H GLY 22 H GLY 22 10.535 10.058 -4.000 512 HA2 GLY 22 2HA GLY 22 11.183 8.803 -6.434 513 HA3 GLY 22 1HA GLY 22 11.067 7.579 -5.179 514 H ALA 23 H ALA 23 9.270 6.579 -5.949 515 HA ALA 23 HA ALA 23 6.735 7.999 -5.550 516 HB1 ALA 23 1HB ALA 23 7.363 6.460 -8.068 517 HB2 ALA 23 2HB ALA 23 7.236 8.214 -7.944 518 HB3 ALA 23 3HB ALA 23 5.819 7.205 -7.657 519 H LEU 24 H LEU 24 5.029 6.661 -4.975 520 HA LEU 24 HA LEU 24 5.834 3.939 -4.203 521 HB2 LEU 24 2HB LEU 24 5.164 5.505 -2.383 522 HB3 LEU 24 1HB LEU 24 3.566 5.593 -3.104 523 HG LEU 24 HG LEU 24 3.567 3.015 -2.842 524 HD11 LEU 24 1HD1 LEU 24 4.868 2.208 -0.943 525 HD12 LEU 24 2HD1 LEU 24 5.665 3.776 -0.825 526 HD13 LEU 24 3HD1 LEU 24 5.907 2.770 -2.254 527 HD21 LEU 24 1HD2 LEU 24 2.099 4.553 -1.627 528 HD22 LEU 24 2HD2 LEU 24 3.368 4.812 -0.429 529 HD23 LEU 24 3HD2 LEU 24 2.631 3.219 -0.603 530 H TYR 25 H TYR 25 4.819 2.240 -5.017 531 HA TYR 25 HA TYR 25 2.371 2.703 -6.593 532 HB2 TYR 25 2HB TYR 25 4.681 0.869 -7.269 533 HB3 TYR 25 1HB TYR 25 3.166 0.944 -8.156 534 HD1 TYR 25 1HD TYR 25 6.295 2.721 -7.395 535 HD2 TYR 25 2HD TYR 25 2.711 2.742 -9.684 536 HE1 TYR 25 1HE TYR 25 7.226 4.488 -8.827 537 HE2 TYR 25 2HE TYR 25 3.633 4.510 -11.121 538 HH TYR 25 HH TYR 25 6.948 5.463 -10.973 539 H LEU 26 H LEU 26 0.713 1.667 -5.686 540 HA LEU 26 HA LEU 26 1.164 -0.628 -3.972 541 HB2 LEU 26 2HB LEU 26 -1.409 0.696 -4.839 542 HB3 LEU 26 1HB LEU 26 -1.307 -0.634 -3.705 543 HG LEU 26 HG LEU 26 -0.608 2.229 -3.331 544 HD11 LEU 26 1HD1 LEU 26 -1.742 1.867 -1.196 545 HD12 LEU 26 2HD1 LEU 26 -1.929 0.157 -1.586 546 HD13 LEU 26 3HD1 LEU 26 -2.756 1.378 -2.553 547 HD21 LEU 26 1HD2 LEU 26 0.589 0.003 -1.707 548 HD22 LEU 26 2HD2 LEU 26 0.718 1.731 -1.371 549 HD23 LEU 26 3HD2 LEU 26 1.467 1.053 -2.818 550 H MET 27 H MET 27 1.020 -2.705 -4.646 551 HA MET 27 HA MET 27 0.059 -3.110 -7.401 552 HB2 MET 27 2HB MET 27 1.818 -5.114 -6.099 553 HB3 MET 27 1HB MET 27 1.713 -4.600 -7.778 554 HG2 MET 27 2HG MET 27 2.733 -2.402 -6.978 555 HG3 MET 27 1HG MET 27 3.152 -3.287 -5.513 556 HE1 MET 27 1HE MET 27 5.140 -3.397 -9.551 557 HE2 MET 27 2HE MET 27 4.358 -2.062 -8.705 558 HE3 MET 27 3HE MET 27 3.382 -3.351 -9.409 559 H ALA 28 H ALA 28 -0.669 -5.401 -7.784 560 HA ALA 28 HA ALA 28 -3.013 -5.930 -6.522 561 HB1 ALA 28 1HB ALA 28 -2.971 -8.109 -7.557 562 HB2 ALA 28 2HB ALA 28 -1.225 -7.993 -7.787 563 HB3 ALA 28 3HB ALA 28 -2.304 -6.900 -8.654 564 H GLU 29 H GLU 29 0.039 -7.699 -5.778 565 HA GLU 29 HA GLU 29 -1.277 -8.570 -3.278 566 HB2 GLU 29 2HB GLU 29 1.165 -9.937 -4.279 567 HB3 GLU 29 1HB GLU 29 -0.223 -10.604 -3.435 568 HG2 GLU 29 2HG GLU 29 -0.571 -11.522 -5.472 569 HG3 GLU 29 1HG GLU 29 -1.420 -9.994 -5.725 570 H ARG 30 H ARG 30 0.687 -6.159 -4.078 571 HA ARG 30 HA ARG 30 2.101 -6.270 -1.571 572 HB2 ARG 30 2HB ARG 30 4.364 -6.221 -2.465 573 HB3 ARG 30 1HB ARG 30 3.547 -7.702 -2.942 574 HG2 ARG 30 2HG ARG 30 3.263 -5.557 -4.902 575 HG3 ARG 30 1HG ARG 30 4.939 -6.023 -4.610 576 HD2 ARG 30 2HD ARG 30 3.912 -8.456 -4.821 577 HD3 ARG 30 1HD ARG 30 2.694 -7.596 -5.761 578 HE ARG 30 HE ARG 30 5.354 -6.925 -6.554 579 HH11 ARG 30 1HH1 ARG 30 2.748 -9.234 -6.990 580 HH12 ARG 30 2HH1 ARG 30 3.378 -9.834 -8.492 581 HH21 ARG 30 1HH2 ARG 30 6.143 -7.685 -8.557 582 HH22 ARG 30 2HH2 ARG 30 5.287 -8.945 -9.402 583 H ILE 31 H ILE 31 3.626 -4.426 -1.318 584 HA ILE 31 HA ILE 31 2.761 -2.100 -2.894 585 HB ILE 31 HB ILE 31 1.813 -1.692 -0.769 586 HG12 ILE 31 2HG1 ILE 31 4.534 -0.367 -0.693 587 HG13 ILE 31 1HG1 ILE 31 3.148 0.209 -1.614 588 HG21 ILE 31 1HG2 ILE 31 4.394 -2.605 0.486 589 HG22 ILE 31 2HG2 ILE 31 2.881 -3.510 0.438 590 HG23 ILE 31 3HG2 ILE 31 2.980 -2.005 1.352 591 HD11 ILE 31 1HD1 ILE 31 3.426 1.471 0.437 592 HD12 ILE 31 2HD1 ILE 31 3.310 -0.012 1.383 593 HD13 ILE 31 3HD1 ILE 31 1.917 0.561 0.465 594 H ALA 32 H ALA 32 4.392 -1.077 -3.905 595 HA ALA 32 HA ALA 32 7.111 -1.614 -2.929 596 HB1 ALA 32 1HB ALA 32 6.842 -3.040 -4.796 597 HB2 ALA 32 2HB ALA 32 7.824 -1.675 -5.332 598 HB3 ALA 32 3HB ALA 32 6.115 -1.755 -5.759 599 H TRP 33 H TRP 33 8.676 -0.078 -3.395 600 HA TRP 33 HA TRP 33 7.703 2.552 -4.263 601 HB2 TRP 33 2HB TRP 33 7.792 2.626 -1.830 602 HB3 TRP 33 1HB TRP 33 9.422 1.967 -1.840 603 HD1 TRP 33 HD TRP 33 7.512 5.205 -2.634 604 HE1 TRP 33 1HE TRP 33 9.196 7.158 -2.672 605 HE3 TRP 33 3HE TRP 33 11.847 2.548 -2.129 606 HZ2 TRP 33 2HZ TRP 33 11.980 7.513 -2.509 607 HZ3 TRP 33 3HZ TRP 33 13.978 3.772 -2.071 608 HH2 TRP 33 HH TRP 33 14.039 6.205 -2.262 609 H ALA 34 H ALA 34 9.063 3.626 -5.591 610 HA ALA 34 HA ALA 34 11.762 2.517 -5.986 611 HB1 ALA 34 1HB ALA 34 11.524 2.811 -8.398 612 HB2 ALA 34 2HB ALA 34 9.864 3.363 -8.177 613 HB3 ALA 34 3HB ALA 34 10.302 1.702 -7.778 614 HA PRO 35 HA PRO 35 13.009 6.743 -5.472 615 HB2 PRO 35 2HB PRO 35 15.306 6.059 -7.199 616 HB3 PRO 35 1HB PRO 35 15.290 6.625 -5.526 617 HG2 PRO 35 2HG PRO 35 15.912 4.091 -6.137 618 HG3 PRO 35 1HG PRO 35 15.004 4.499 -4.668 619 HD2 PRO 35 2HD PRO 35 14.010 3.394 -7.267 620 HD3 PRO 35 1HD PRO 35 13.527 2.982 -5.608 621 H GLU 36 H GLU 36 13.294 8.679 -6.718 622 HA GLU 36 HA GLU 36 11.684 8.852 -8.978 623 HB2 GLU 36 2HB GLU 36 12.360 10.740 -7.453 624 HB3 GLU 36 1HB GLU 36 13.901 10.783 -8.299 625 HG2 GLU 36 2HG GLU 36 12.239 12.468 -9.072 626 HG3 GLU 36 1HG GLU 36 12.856 11.409 -10.341 627 H GLY 37 H GLY 37 11.966 8.693 -11.097 628 HA2 GLY 37 2HA GLY 37 12.974 8.317 -13.127 629 HA3 GLY 37 1HA GLY 37 14.483 8.860 -12.412 630 H LYS 38 H LYS 38 12.657 6.154 -11.114 631 HA LYS 38 HA LYS 38 14.800 4.373 -12.079 632 HB2 LYS 38 2HB LYS 38 13.929 4.853 -9.447 633 HB3 LYS 38 1HB LYS 38 13.321 3.258 -9.868 634 HG2 LYS 38 2HG LYS 38 15.547 3.240 -8.773 635 HG3 LYS 38 1HG LYS 38 15.525 2.471 -10.360 636 HD2 LYS 38 2HD LYS 38 17.507 3.861 -10.112 637 HD3 LYS 38 1HD LYS 38 16.442 4.520 -11.355 638 HE2 LYS 38 2HE LYS 38 15.560 5.780 -9.085 639 HE3 LYS 38 1HE LYS 38 17.299 5.670 -8.808 640 HZ1 LYS 38 1HZ LYS 38 16.255 7.664 -10.121 641 HZ2 LYS 38 2HZ LYS 38 16.365 6.589 -11.430 642 HZ3 LYS 38 3HZ LYS 38 17.758 7.018 -10.568 643 H ASP 39 H ASP 39 14.261 2.333 -12.852 644 HA ASP 39 HA ASP 39 11.509 2.099 -13.808 645 HB2 ASP 39 2HB ASP 39 12.371 0.496 -15.402 646 HB3 ASP 39 1HB ASP 39 13.417 1.910 -15.415 647 H ARG 40 H ARG 40 13.692 0.750 -11.544 648 HA ARG 40 HA ARG 40 11.813 -1.442 -10.989 649 HB2 ARG 40 2HB ARG 40 13.762 -2.613 -9.945 650 HB3 ARG 40 1HB ARG 40 13.905 -2.382 -11.681 651 HG2 ARG 40 2HG ARG 40 15.173 -0.177 -10.853 652 HG3 ARG 40 1HG ARG 40 15.494 -1.234 -9.475 653 HD2 ARG 40 2HD ARG 40 17.265 -1.385 -11.160 654 HD3 ARG 40 1HD ARG 40 16.423 -2.921 -10.962 655 HE ARG 40 HE ARG 40 15.598 -1.114 -13.132 656 HH11 ARG 40 1HH1 ARG 40 17.154 -4.092 -12.120 657 HH12 ARG 40 2HH1 ARG 40 17.091 -4.811 -13.693 658 HH21 ARG 40 1HH2 ARG 40 15.480 -2.051 -15.186 659 HH22 ARG 40 2HH2 ARG 40 16.139 -3.645 -15.453 660 H PHE 41 H PHE 41 11.435 -1.967 -8.798 661 HA PHE 41 HA PHE 41 11.486 0.370 -7.070 662 HB2 PHE 41 2HB PHE 41 10.212 -2.278 -6.411 663 HB3 PHE 41 1HB PHE 41 9.788 -0.679 -5.811 664 HD1 PHE 41 1HD PHE 41 8.558 0.896 -7.248 665 HD2 PHE 41 2HD PHE 41 9.337 -3.109 -8.459 666 HE1 PHE 41 1HE PHE 41 6.829 1.088 -8.986 667 HE2 PHE 41 2HE PHE 41 7.612 -2.922 -10.200 668 HZ PHE 41 HZ PHE 41 6.354 -0.822 -10.467 669 H THR 42 H THR 42 12.531 0.482 -5.134 670 HA THR 42 HA THR 42 14.575 -1.544 -4.649 671 HB THR 42 HB THR 42 15.113 0.294 -2.786 672 HG1 THR 42 1HG THR 42 14.082 2.117 -3.105 673 HG21 THR 42 1HG2 THR 42 16.644 -0.361 -4.560 674 HG22 THR 42 2HG2 THR 42 16.598 1.396 -4.422 675 HG23 THR 42 3HG2 THR 42 15.730 0.591 -5.729 676 H ILE 43 H ILE 43 11.600 -0.355 -3.408 677 HA ILE 43 HA ILE 43 11.857 -2.059 -1.013 678 HB ILE 43 HB ILE 43 10.082 0.356 -1.441 679 HG12 ILE 43 2HG1 ILE 43 12.496 0.867 -1.074 680 HG13 ILE 43 1HG1 ILE 43 11.451 1.482 0.201 681 HG21 ILE 43 1HG2 ILE 43 8.940 -1.244 -0.062 682 HG22 ILE 43 2HG2 ILE 43 9.508 0.082 0.953 683 HG23 ILE 43 3HG2 ILE 43 10.370 -1.457 0.948 684 HD11 ILE 43 1HD1 ILE 43 13.503 0.523 1.092 685 HD12 ILE 43 2HD1 ILE 43 13.108 -1.026 0.345 686 HD13 ILE 43 3HD1 ILE 43 12.085 -0.380 1.629 687 H SER 44 H SER 44 10.536 -3.796 -0.951 688 HA SER 44 HA SER 44 7.995 -3.717 -2.376 689 HB2 SER 44 2HB SER 44 9.616 -4.659 -3.993 690 HB3 SER 44 1HB SER 44 10.041 -5.909 -2.825 691 HG SER 44 HG SER 44 8.175 -6.902 -3.172 692 H HIS 45 H HIS 45 6.592 -4.153 -0.812 693 HA HIS 45 HA HIS 45 7.192 -6.391 1.015 694 HB2 HIS 45 2HB HIS 45 5.826 -3.766 1.616 695 HB3 HIS 45 1HB HIS 45 5.707 -5.166 2.674 696 HD1 HIS 45 1HD HIS 45 8.223 -6.069 3.501 697 HD2 HIS 45 2HD HIS 45 7.846 -2.140 2.222 698 HE1 HIS 45 1HE HIS 45 10.208 -4.826 4.441 699 H MET 46 H MET 46 5.839 -8.021 0.823 700 HA MET 46 HA MET 46 3.459 -7.753 -0.762 701 HB2 MET 46 2HB MET 46 4.295 -10.119 0.936 702 HB3 MET 46 1HB MET 46 3.161 -10.128 -0.405 703 HG2 MET 46 2HG MET 46 6.053 -9.407 -0.751 704 HG3 MET 46 1HG MET 46 5.472 -11.068 -0.832 705 HE1 MET 46 1HE MET 46 2.681 -10.860 -2.271 706 HE2 MET 46 2HE MET 46 3.937 -12.025 -2.690 707 HE3 MET 46 3HE MET 46 3.174 -11.059 -3.953 708 H TYR 47 H TYR 47 1.343 -7.871 -0.030 709 HA TYR 47 HA TYR 47 0.752 -6.659 2.424 710 HB2 TYR 47 2HB TYR 47 -1.048 -8.366 0.687 711 HB3 TYR 47 1HB TYR 47 -1.599 -7.325 1.995 712 HD1 TYR 47 1HD TYR 47 0.015 -4.911 1.570 713 HD2 TYR 47 2HD TYR 47 -1.926 -7.426 -1.260 714 HE1 TYR 47 1HE TYR 47 -0.128 -3.022 0.004 715 HE2 TYR 47 2HE TYR 47 -2.074 -5.542 -2.832 716 HH TYR 47 HH TYR 47 -1.410 -3.456 -3.268 717 H ALA 48 H ALA 48 1.208 -9.970 1.556 718 HA ALA 48 HA ALA 48 0.002 -11.144 3.853 719 HB1 ALA 48 1HB ALA 48 2.033 -12.323 1.965 720 HB2 ALA 48 2HB ALA 48 0.287 -12.328 1.714 721 HB3 ALA 48 3HB ALA 48 0.985 -13.209 3.072 722 H ASP 49 H ASP 49 2.842 -9.382 3.541 723 HA ASP 49 HA ASP 49 4.109 -10.835 5.772 724 HB2 ASP 49 2HB ASP 49 5.351 -8.942 3.766 725 HB3 ASP 49 1HB ASP 49 6.207 -9.689 5.109 726 H ILE 50 H ILE 50 2.259 -8.171 5.140 727 HA ILE 50 HA ILE 50 3.574 -6.484 7.147 728 HB ILE 50 HB ILE 50 1.191 -5.849 5.395 729 HG12 ILE 50 2HG1 ILE 50 4.023 -4.848 5.078 730 HG13 ILE 50 1HG1 ILE 50 3.418 -6.263 4.223 731 HG21 ILE 50 1HG2 ILE 50 1.228 -4.536 7.430 732 HG22 ILE 50 2HG2 ILE 50 1.653 -3.522 6.051 733 HG23 ILE 50 3HG2 ILE 50 2.912 -4.096 7.144 734 HD11 ILE 50 1HD1 ILE 50 2.299 -3.478 4.014 735 HD12 ILE 50 2HD1 ILE 50 1.732 -4.898 3.133 736 HD13 ILE 50 3HD1 ILE 50 3.350 -4.264 2.836 737 H LYS 51 H LYS 51 2.702 -6.166 9.149 738 HA LYS 51 HA LYS 51 0.532 -7.889 9.971 739 HB2 LYS 51 2HB LYS 51 2.484 -7.602 11.421 740 HB3 LYS 51 1HB LYS 51 2.174 -5.876 11.524 741 HG2 LYS 51 2HG LYS 51 -0.091 -6.540 12.520 742 HG3 LYS 51 1HG LYS 51 0.628 -8.136 12.733 743 HD2 LYS 51 2HD LYS 51 1.861 -5.594 13.781 744 HD3 LYS 51 1HD LYS 51 0.788 -6.623 14.730 745 HE2 LYS 51 2HE LYS 51 2.587 -7.781 15.338 746 HE3 LYS 51 1HE LYS 51 2.682 -8.365 13.678 747 HZ1 LYS 51 1HZ LYS 51 4.039 -5.953 14.760 748 HZ2 LYS 51 2HZ LYS 51 4.107 -6.465 13.146 749 HZ3 LYS 51 3HZ LYS 51 4.780 -7.426 14.369 750 H CYS 52 H CYS 52 1.169 -4.416 10.304 751 HA CYS 52 HA CYS 52 -1.568 -3.766 9.594 752 HB2 CYS 52 2HB CYS 52 -1.619 -2.221 11.687 753 HB3 CYS 52 1HB CYS 52 -1.999 -3.927 11.894 754 HG CYS 52 HG CYS 52 0.193 -2.156 13.478 755 H GLN 53 H GLN 53 -1.629 -1.064 9.918 756 HA GLN 53 HA GLN 53 0.996 -0.156 8.984 757 HB2 GLN 53 2HB GLN 53 -0.340 1.220 7.282 758 HB3 GLN 53 1HB GLN 53 -0.214 -0.494 6.968 759 HG2 GLN 53 2HG GLN 53 -2.403 -0.888 7.423 760 HG3 GLN 53 1HG GLN 53 -2.539 0.484 8.518 761 HE21 GLN 53 1HE2 GLN 53 -4.368 -0.171 6.512 762 HE22 GLN 53 2HE2 GLN 53 -4.380 1.120 5.355 763 H LYS 54 H LYS 54 1.041 2.290 9.078 764 HA LYS 54 HA LYS 54 -0.880 3.487 10.959 765 HB2 LYS 54 2HB LYS 54 2.112 3.872 11.330 766 HB3 LYS 54 1HB LYS 54 0.816 4.437 12.356 767 HG2 LYS 54 2HG LYS 54 0.491 1.700 12.359 768 HG3 LYS 54 1HG LYS 54 2.244 1.934 12.402 769 HD2 LYS 54 2HD LYS 54 1.225 3.850 14.142 770 HD3 LYS 54 1HD LYS 54 0.269 2.402 14.460 771 HE2 LYS 54 2HE LYS 54 3.261 2.419 14.336 772 HE3 LYS 54 1HE LYS 54 2.348 2.663 15.823 773 HZ1 LYS 54 1HZ LYS 54 3.021 0.357 15.573 774 HZ2 LYS 54 2HZ LYS 54 2.213 0.257 14.090 775 HZ3 LYS 54 3HZ LYS 54 1.330 0.490 15.515 776 H ILE 55 H ILE 55 -0.550 5.882 10.957 777 HA ILE 55 HA ILE 55 0.746 6.818 8.458 778 HB ILE 55 HB ILE 55 -1.311 8.412 8.329 779 HG12 ILE 55 2HG1 ILE 55 -2.371 6.157 10.013 780 HG13 ILE 55 1HG1 ILE 55 -2.204 7.836 10.483 781 HG21 ILE 55 1HG2 ILE 55 -0.842 6.727 6.626 782 HG22 ILE 55 2HG2 ILE 55 -2.573 6.806 6.957 783 HG23 ILE 55 3HG2 ILE 55 -1.606 5.492 7.627 784 HD11 ILE 55 1HD1 ILE 55 -3.913 8.440 8.854 785 HD12 ILE 55 2HD1 ILE 55 -4.487 7.302 10.074 786 HD13 ILE 55 3HD1 ILE 55 -4.103 6.733 8.449 787 H SER 56 H SER 56 1.960 8.693 8.822 788 HA SER 56 HA SER 56 1.909 9.824 11.437 789 HB2 SER 56 2HB SER 56 3.584 11.293 10.740 790 HB3 SER 56 1HB SER 56 3.832 9.943 9.637 791 HG SER 56 HG SER 56 3.285 12.477 9.061 792 HA PRO 57 HA PRO 57 -2.146 11.416 10.886 793 HB2 PRO 57 2HB PRO 57 -2.129 12.877 13.212 794 HB3 PRO 57 1HB PRO 57 -2.440 11.141 13.107 795 HG2 PRO 57 2HG PRO 57 0.107 12.571 13.764 796 HG3 PRO 57 1HG PRO 57 -0.618 11.154 14.551 797 HD2 PRO 57 2HD PRO 57 1.380 10.874 12.829 798 HD3 PRO 57 1HD PRO 57 0.028 9.723 12.846 799 H GLU 58 H GLU 58 -3.288 13.455 10.912 800 HA GLU 58 HA GLU 58 -2.035 15.539 9.518 801 HB2 GLU 58 2HB GLU 58 -4.673 15.161 10.879 802 HB3 GLU 58 1HB GLU 58 -4.204 16.788 10.414 803 HG2 GLU 58 2HG GLU 58 -5.553 15.894 8.679 804 HG3 GLU 58 1HG GLU 58 -3.898 15.971 8.087 805 H GLY 59 H GLY 59 -1.259 17.515 10.216 806 HA2 GLY 59 2HA GLY 59 -1.010 19.165 12.012 807 HA3 GLY 59 1HA GLY 59 -0.943 17.811 13.139 808 H LYS 60 H LYS 60 0.673 16.154 11.429 809 HA LYS 60 HA LYS 60 3.271 17.059 12.143 810 HB2 LYS 60 2HB LYS 60 2.167 14.777 10.554 811 HB3 LYS 60 1HB LYS 60 3.849 15.200 10.300 812 HG2 LYS 60 2HG LYS 60 3.983 15.008 12.916 813 HG3 LYS 60 1HG LYS 60 2.527 14.029 12.705 814 HD2 LYS 60 2HD LYS 60 3.629 12.400 11.529 815 HD3 LYS 60 1HD LYS 60 4.874 13.506 10.948 816 HE2 LYS 60 2HE LYS 60 4.605 12.250 13.662 817 HE3 LYS 60 1HE LYS 60 5.919 12.064 12.506 818 HZ1 LYS 60 1HZ LYS 60 6.252 13.591 14.492 819 HZ2 LYS 60 2HZ LYS 60 5.286 14.697 13.660 820 HZ3 LYS 60 3HZ LYS 60 6.742 14.153 12.970 821 H ALA 61 H ALA 61 4.887 17.942 10.797 822 HA ALA 61 HA ALA 61 3.950 19.582 8.659 823 HB1 ALA 61 1HB ALA 61 6.785 18.971 9.497 824 HB2 ALA 61 2HB ALA 61 5.785 20.279 10.129 825 HB3 ALA 61 3HB ALA 61 6.277 20.285 8.436 826 H LYS 62 H LYS 62 4.464 16.392 8.749 827 HA LYS 62 HA LYS 62 4.789 16.199 5.881 828 HB2 LYS 62 2HB LYS 62 6.478 14.262 6.351 829 HB3 LYS 62 1HB LYS 62 7.053 15.924 6.327 830 HG2 LYS 62 2HG LYS 62 6.467 15.709 8.929 831 HG3 LYS 62 1HG LYS 62 6.833 14.021 8.574 832 HD2 LYS 62 2HD LYS 62 8.670 16.267 7.780 833 HD3 LYS 62 1HD LYS 62 8.761 15.491 9.361 834 HE2 LYS 62 2HE LYS 62 10.254 14.179 8.271 835 HE3 LYS 62 1HE LYS 62 8.786 13.306 7.833 836 HZ1 LYS 62 1HZ LYS 62 8.737 14.476 5.744 837 HZ2 LYS 62 2HZ LYS 62 10.241 13.721 5.924 838 HZ3 LYS 62 3HZ LYS 62 10.095 15.395 6.171 839 H ILE 63 H ILE 63 3.021 15.113 5.354 840 HA ILE 63 HA ILE 63 1.726 13.235 7.119 841 HB ILE 63 HB ILE 63 1.145 13.828 4.207 842 HG12 ILE 63 2HG1 ILE 63 -0.735 15.008 6.016 843 HG13 ILE 63 1HG1 ILE 63 0.889 15.515 6.472 844 HG21 ILE 63 1HG2 ILE 63 0.070 11.811 4.828 845 HG22 ILE 63 2HG2 ILE 63 -1.161 13.074 4.860 846 HG23 ILE 63 3HG2 ILE 63 -0.457 12.488 6.368 847 HD11 ILE 63 1HD1 ILE 63 1.274 16.313 4.199 848 HD12 ILE 63 2HD1 ILE 63 -0.131 17.086 4.931 849 HD13 ILE 63 3HD1 ILE 63 -0.350 15.798 3.746 850 H GLN 64 H GLN 64 2.322 11.107 7.297 851 HA GLN 64 HA GLN 64 3.473 9.863 4.866 852 HB2 GLN 64 2HB GLN 64 4.739 9.552 7.585 853 HB3 GLN 64 1HB GLN 64 5.362 8.989 6.041 854 HG2 GLN 64 2HG GLN 64 5.994 11.116 5.375 855 HG3 GLN 64 1HG GLN 64 4.921 11.903 6.530 856 HE21 GLN 64 1HE2 GLN 64 5.538 12.040 8.685 857 HE22 GLN 64 2HE2 GLN 64 7.189 11.844 9.188 858 H LEU 65 H LEU 65 3.843 7.499 5.138 859 HA LEU 65 HA LEU 65 1.753 6.267 6.820 860 HB2 LEU 65 2HB LEU 65 1.344 6.166 4.334 861 HB3 LEU 65 1HB LEU 65 2.807 5.213 4.192 862 HG LEU 65 HG LEU 65 1.539 3.744 6.035 863 HD11 LEU 65 1HD1 LEU 65 -0.683 4.933 4.399 864 HD12 LEU 65 2HD1 LEU 65 -0.420 5.156 6.128 865 HD13 LEU 65 3HD1 LEU 65 -0.821 3.560 5.497 866 HD21 LEU 65 1HD2 LEU 65 2.440 2.958 3.909 867 HD22 LEU 65 2HD2 LEU 65 1.002 3.564 3.086 868 HD23 LEU 65 3HD2 LEU 65 0.862 2.260 4.265 869 H GLN 66 H GLN 66 2.302 4.276 7.802 870 HA GLN 66 HA GLN 66 5.143 3.514 7.693 871 HB2 GLN 66 2HB GLN 66 4.590 4.817 9.732 872 HB3 GLN 66 1HB GLN 66 3.389 3.609 10.151 873 HG2 GLN 66 2HG GLN 66 5.064 1.936 10.450 874 HG3 GLN 66 1HG GLN 66 6.316 3.010 9.824 875 HE21 GLN 66 1HE2 GLN 66 7.153 4.594 11.119 876 HE22 GLN 66 2HE2 GLN 66 6.845 4.684 12.822 877 H LEU 67 H LEU 67 5.354 1.456 7.069 878 HA LEU 67 HA LEU 67 3.077 -0.354 7.342 879 HB2 LEU 67 2HB LEU 67 5.662 -0.490 5.815 880 HB3 LEU 67 1HB LEU 67 4.624 -1.890 5.999 881 HG LEU 67 HG LEU 67 3.983 0.685 4.581 882 HD11 LEU 67 1HD1 LEU 67 5.373 -0.918 3.360 883 HD12 LEU 67 2HD1 LEU 67 3.765 -0.780 2.646 884 HD13 LEU 67 3HD1 LEU 67 4.170 -2.176 3.646 885 HD21 LEU 67 1HD2 LEU 67 2.191 -1.672 5.163 886 HD22 LEU 67 2HD2 LEU 67 1.802 -0.332 4.084 887 HD23 LEU 67 3HD2 LEU 67 2.015 -0.041 5.811 888 H VAL 68 H VAL 68 2.978 -1.391 9.260 889 HA VAL 68 HA VAL 68 5.477 -2.176 10.553 890 HB VAL 68 HB VAL 68 2.623 -2.238 11.551 891 HG11 VAL 68 1HG1 VAL 68 5.130 -3.149 12.967 892 HG12 VAL 68 2HG1 VAL 68 3.834 -4.199 12.394 893 HG13 VAL 68 3HG1 VAL 68 3.523 -3.035 13.681 894 HG21 VAL 68 1HG2 VAL 68 5.071 -0.687 12.378 895 HG22 VAL 68 2HG2 VAL 68 3.513 -0.641 13.205 896 HG23 VAL 68 3HG2 VAL 68 3.652 -0.048 11.549 897 H LEU 69 H LEU 69 6.307 -3.977 9.840 898 HA LEU 69 HA LEU 69 4.771 -5.973 8.533 899 HB2 LEU 69 2HB LEU 69 7.621 -6.083 9.481 900 HB3 LEU 69 1HB LEU 69 6.857 -7.222 8.387 901 HG LEU 69 HG LEU 69 7.880 -4.497 7.877 902 HD11 LEU 69 1HD1 LEU 69 8.541 -5.510 5.783 903 HD12 LEU 69 2HD1 LEU 69 7.631 -6.966 6.187 904 HD13 LEU 69 3HD1 LEU 69 9.040 -6.513 7.146 905 HD21 LEU 69 1HD2 LEU 69 6.475 -4.138 5.944 906 HD22 LEU 69 2HD2 LEU 69 5.512 -4.169 7.422 907 HD23 LEU 69 3HD2 LEU 69 5.527 -5.569 6.349 908 H HIS 70 H HIS 70 5.396 -8.387 9.256 909 HA HIS 70 HA HIS 70 3.807 -8.865 11.514 910 HB2 HIS 70 2HB HIS 70 5.605 -10.645 9.897 911 HB3 HIS 70 1HB HIS 70 4.690 -11.250 11.277 912 HD1 HIS 70 1HD HIS 70 2.058 -9.570 10.674 913 HD2 HIS 70 2HD HIS 70 4.156 -11.896 7.956 914 HE1 HIS 70 1HE HIS 70 0.430 -10.136 8.831 915 H ALA 71 H ALA 71 7.368 -9.014 11.220 916 HA ALA 71 HA ALA 71 7.695 -9.980 13.893 917 HB1 ALA 71 1HB ALA 71 9.721 -8.682 12.077 918 HB2 ALA 71 2HB ALA 71 9.354 -10.406 12.145 919 HB3 ALA 71 3HB ALA 71 10.069 -9.601 13.543 920 H GLY 72 H GLY 72 7.230 -6.879 12.519 921 HA2 GLY 72 2HA GLY 72 6.518 -5.147 14.165 922 HA3 GLY 72 1HA GLY 72 7.935 -5.617 15.102 923 H ASP 73 H ASP 73 8.215 -5.705 11.762 924 HA ASP 73 HA ASP 73 10.289 -3.747 11.661 925 HB2 ASP 73 2HB ASP 73 8.974 -4.878 9.220 926 HB3 ASP 73 1HB ASP 73 10.676 -4.584 9.514 927 H THR 74 H THR 74 10.184 -1.815 10.265 928 HA THR 74 HA THR 74 7.452 -1.001 9.611 929 HB THR 74 HB THR 74 7.968 1.298 10.572 930 HG1 THR 74 1HG THR 74 10.229 0.978 10.865 931 HG21 THR 74 1HG2 THR 74 7.366 0.678 12.864 932 HG22 THR 74 2HG2 THR 74 7.768 -1.003 12.514 933 HG23 THR 74 3HG2 THR 74 6.421 -0.225 11.681 934 H THR 75 H THR 75 7.285 -0.038 7.743 935 HA THR 75 HA THR 75 9.699 1.083 6.486 936 HB THR 75 HB THR 75 7.331 0.206 4.873 937 HG1 THR 75 1HG THR 75 8.861 -1.842 4.793 938 HG21 THR 75 1HG2 THR 75 9.161 1.407 3.782 939 HG22 THR 75 2HG2 THR 75 9.076 -0.259 3.208 940 HG23 THR 75 3HG2 THR 75 10.312 0.209 4.375 941 H ASN 76 H ASN 76 9.582 3.226 6.735 942 HA ASN 76 HA ASN 76 7.044 4.603 6.798 943 HB2 ASN 76 2HB ASN 76 9.871 5.322 7.355 944 HB3 ASN 76 1HB ASN 76 8.795 6.623 6.860 945 HD21 ASN 76 1HD2 ASN 76 9.011 7.570 8.883 946 HD22 ASN 76 2HD2 ASN 76 8.183 6.953 10.263 947 H PHE 77 H PHE 77 6.163 5.833 5.288 948 HA PHE 77 HA PHE 77 7.679 6.396 2.829 949 HB2 PHE 77 2HB PHE 77 4.842 5.371 3.055 950 HB3 PHE 77 1HB PHE 77 5.511 6.059 1.577 951 HD1 PHE 77 1HD PHE 77 7.947 4.980 1.019 952 HD2 PHE 77 2HD PHE 77 4.768 3.092 3.126 953 HE1 PHE 77 1HE PHE 77 8.854 2.778 0.406 954 HE2 PHE 77 2HE PHE 77 5.670 0.888 2.517 955 HZ PHE 77 HZ PHE 77 7.715 0.727 1.156 956 H HIS 78 H HIS 78 7.953 8.523 2.867 957 HA HIS 78 HA HIS 78 5.956 10.264 4.068 958 HB2 HIS 78 2HB HIS 78 8.228 10.749 4.649 959 HB3 HIS 78 1HB HIS 78 8.730 10.735 2.966 960 HD1 HIS 78 1HD HIS 78 9.708 13.141 3.154 961 HD2 HIS 78 2HD HIS 78 5.643 12.890 3.968 962 HE1 HIS 78 1HE HIS 78 8.834 15.513 3.153 963 H PHE 79 H PHE 79 4.398 11.179 2.934 964 HA PHE 79 HA PHE 79 4.491 11.156 0.040 965 HB2 PHE 79 2HB PHE 79 2.378 12.134 1.981 966 HB3 PHE 79 1HB PHE 79 2.187 12.105 0.230 967 HD1 PHE 79 1HD PHE 79 2.558 10.015 3.240 968 HD2 PHE 79 2HD PHE 79 1.679 10.096 -0.922 969 HE1 PHE 79 1HE PHE 79 1.759 7.691 3.366 970 HE2 PHE 79 2HE PHE 79 0.877 7.775 -0.803 971 HZ PHE 79 HZ PHE 79 0.913 6.570 1.342 972 H SER 80 H SER 80 6.318 12.528 -0.104 973 HA SER 80 HA SER 80 6.333 15.187 0.891 974 HB2 SER 80 2HB SER 80 8.261 15.220 -0.965 975 HB3 SER 80 1HB SER 80 8.470 14.473 0.617 976 HG SER 80 HG SER 80 7.500 13.052 -1.638 977 H ASN 81 H ASN 81 4.416 13.998 -1.469 978 HA ASN 81 HA ASN 81 4.759 16.057 -3.445 979 HB2 ASN 81 2HB ASN 81 3.851 13.836 -4.055 980 HB3 ASN 81 1HB ASN 81 2.436 14.152 -3.055 981 HD21 ASN 81 1HD2 ASN 81 1.110 13.893 -4.889 982 HD22 ASN 81 2HD2 ASN 81 0.982 15.154 -6.075 983 H GLU 82 H GLU 82 4.465 18.054 -2.673 984 HA GLU 82 HA GLU 82 2.668 18.838 -0.672 985 HB2 GLU 82 2HB GLU 82 3.559 20.704 -2.850 986 HB3 GLU 82 1HB GLU 82 3.299 21.047 -1.146 987 HG2 GLU 82 2HG GLU 82 5.549 21.013 -1.103 988 HG3 GLU 82 1HG GLU 82 5.296 19.276 -0.932 989 H SER 83 H SER 83 1.944 17.897 -3.814 990 HA SER 83 HA SER 83 -0.271 19.694 -4.208 991 HB2 SER 83 2HB SER 83 0.458 17.214 -5.773 992 HB3 SER 83 1HB SER 83 -0.610 18.521 -6.293 993 HG SER 83 HG SER 83 1.380 19.877 -5.870 994 H THR 84 H THR 84 -0.041 16.123 -3.770 995 HA THR 84 HA THR 84 -2.723 16.262 -2.562 996 HB THR 84 HB THR 84 -2.888 13.849 -3.703 997 HG1 THR 84 1HG THR 84 -0.986 13.858 -4.844 998 HG21 THR 84 1HG2 THR 84 -4.536 15.625 -3.945 999 HG22 THR 84 2HG2 THR 84 -4.178 14.908 -5.518 1000 HG23 THR 84 3HG2 THR 84 -3.485 16.471 -5.082 1001 H ALA 85 H ALA 85 -0.179 16.094 -1.220 1002 HA ALA 85 HA ALA 85 0.730 13.619 -0.469 1003 HB1 ALA 85 1HB ALA 85 1.559 14.637 1.543 1004 HB2 ALA 85 2HB ALA 85 0.411 15.966 1.389 1005 HB3 ALA 85 3HB ALA 85 1.712 15.784 0.210 1006 H VAL 86 H VAL 86 -1.758 15.466 1.269 1007 HA VAL 86 HA VAL 86 -2.352 13.539 3.191 1008 HB VAL 86 HB VAL 86 -4.074 15.725 2.037 1009 HG11 VAL 86 1HG1 VAL 86 -5.465 15.498 4.041 1010 HG12 VAL 86 2HG1 VAL 86 -4.505 14.108 4.551 1011 HG13 VAL 86 3HG1 VAL 86 -5.481 14.017 3.083 1012 HG21 VAL 86 1HG2 VAL 86 -2.464 15.602 4.572 1013 HG22 VAL 86 2HG2 VAL 86 -3.481 16.948 4.055 1014 HG23 VAL 86 3HG2 VAL 86 -2.049 16.513 3.121 1015 H LYS 87 H LYS 87 -3.980 14.165 0.079 1016 HA LYS 87 HA LYS 87 -5.916 12.126 0.507 1017 HB2 LYS 87 2HB LYS 87 -5.424 14.159 -1.471 1018 HB3 LYS 87 1HB LYS 87 -5.852 12.635 -2.238 1019 HG2 LYS 87 2HG LYS 87 -7.851 13.910 -1.873 1020 HG3 LYS 87 1HG LYS 87 -7.860 12.514 -0.796 1021 HD2 LYS 87 2HD LYS 87 -6.788 15.133 0.178 1022 HD3 LYS 87 1HD LYS 87 -8.531 14.880 0.103 1023 HE2 LYS 87 2HE LYS 87 -6.699 12.939 1.484 1024 HE3 LYS 87 1HE LYS 87 -7.332 14.359 2.308 1025 HZ1 LYS 87 1HZ LYS 87 -9.433 13.518 2.342 1026 HZ2 LYS 87 2HZ LYS 87 -8.558 12.068 2.419 1027 HZ3 LYS 87 3HZ LYS 87 -9.233 12.584 0.942 1028 H GLU 88 H GLU 88 -2.844 12.194 -1.289 1029 HA GLU 88 HA GLU 88 -3.248 9.620 -2.432 1030 HB2 GLU 88 2HB GLU 88 -0.749 11.250 -1.969 1031 HB3 GLU 88 1HB GLU 88 -0.712 9.653 -2.703 1032 HG2 GLU 88 2HG GLU 88 -2.177 10.430 -4.487 1033 HG3 GLU 88 1HG GLU 88 -2.232 12.029 -3.749 1034 H ARG 89 H ARG 89 -2.026 10.809 0.606 1035 HA ARG 89 HA ARG 89 -0.940 8.390 1.580 1036 HB2 ARG 89 2HB ARG 89 -0.469 10.522 2.684 1037 HB3 ARG 89 1HB ARG 89 -2.171 10.723 3.074 1038 HG2 ARG 89 2HG ARG 89 -0.964 8.238 4.070 1039 HG3 ARG 89 1HG ARG 89 -0.306 9.721 4.763 1040 HD2 ARG 89 2HD ARG 89 -3.149 9.934 4.653 1041 HD3 ARG 89 1HD ARG 89 -2.725 8.398 5.409 1042 HE ARG 89 HE ARG 89 -1.203 9.889 6.847 1043 HH11 ARG 89 1HH1 ARG 89 -4.345 10.834 5.610 1044 HH12 ARG 89 2HH1 ARG 89 -4.622 12.014 6.861 1045 HH21 ARG 89 1HH2 ARG 89 -1.607 11.403 8.531 1046 HH22 ARG 89 2HH2 ARG 89 -3.120 12.276 8.547 1047 H ASP 90 H ASP 90 -4.120 9.884 1.783 1048 HA ASP 90 HA ASP 90 -5.414 7.926 3.327 1049 HB2 ASP 90 2HB ASP 90 -6.297 10.078 1.461 1050 HB3 ASP 90 1HB ASP 90 -7.464 8.822 1.858 1051 H ALA 91 H ALA 91 -4.942 8.249 -0.161 1052 HA ALA 91 HA ALA 91 -6.562 6.144 -1.004 1053 HB1 ALA 91 1HB ALA 91 -5.554 7.847 -2.491 1054 HB2 ALA 91 2HB ALA 91 -5.314 6.198 -3.065 1055 HB3 ALA 91 3HB ALA 91 -3.990 7.061 -2.282 1056 H VAL 92 H VAL 92 -3.095 6.158 -0.188 1057 HA VAL 92 HA VAL 92 -2.719 3.371 -0.639 1058 HB VAL 92 HB VAL 92 -1.111 5.269 1.088 1059 HG11 VAL 92 1HG1 VAL 92 0.715 3.640 0.814 1060 HG12 VAL 92 2HG1 VAL 92 -0.402 2.548 -0.005 1061 HG13 VAL 92 3HG1 VAL 92 -0.660 2.965 1.689 1062 HG21 VAL 92 1HG2 VAL 92 -0.660 4.389 -1.758 1063 HG22 VAL 92 2HG2 VAL 92 0.385 5.453 -0.817 1064 HG23 VAL 92 3HG2 VAL 92 -1.243 5.973 -1.250 1065 H LYS 93 H LYS 93 -3.509 5.340 2.114 1066 HA LYS 93 HA LYS 93 -3.224 3.449 4.159 1067 HB2 LYS 93 2HB LYS 93 -3.299 5.658 4.838 1068 HB3 LYS 93 1HB LYS 93 -4.640 6.047 3.780 1069 HG2 LYS 93 2HG LYS 93 -6.152 4.814 5.260 1070 HG3 LYS 93 1HG LYS 93 -4.793 4.482 6.340 1071 HD2 LYS 93 2HD LYS 93 -4.839 6.543 7.210 1072 HD3 LYS 93 1HD LYS 93 -5.047 7.298 5.629 1073 HE2 LYS 93 2HE LYS 93 -7.313 5.835 6.893 1074 HE3 LYS 93 1HE LYS 93 -6.919 7.468 7.428 1075 HZ1 LYS 93 1HZ LYS 93 -7.043 8.091 4.984 1076 HZ2 LYS 93 2HZ LYS 93 -8.508 7.733 5.747 1077 HZ3 LYS 93 3HZ LYS 93 -7.795 6.581 4.729 1078 H ASP 94 H ASP 94 -6.150 4.573 2.474 1079 HA ASP 94 HA ASP 94 -7.889 2.729 3.727 1080 HB2 ASP 94 2HB ASP 94 -8.056 4.643 1.468 1081 HB3 ASP 94 1HB ASP 94 -9.255 3.358 1.510 1082 H LEU 95 H LEU 95 -6.041 2.621 0.762 1083 HA LEU 95 HA LEU 95 -7.276 0.230 -0.234 1084 HB2 LEU 95 2HB LEU 95 -5.054 1.986 -1.024 1085 HB3 LEU 95 1HB LEU 95 -4.762 0.294 -1.376 1086 HG LEU 95 HG LEU 95 -5.703 1.357 -3.319 1087 HD11 LEU 95 1HD1 LEU 95 -7.643 -0.454 -1.901 1088 HD12 LEU 95 2HD1 LEU 95 -6.367 -0.915 -3.029 1089 HD13 LEU 95 3HD1 LEU 95 -7.768 -0.010 -3.603 1090 HD21 LEU 95 1HD2 LEU 95 -7.929 2.369 -3.289 1091 HD22 LEU 95 2HD2 LEU 95 -6.811 3.229 -2.232 1092 HD23 LEU 95 3HD2 LEU 95 -8.011 2.135 -1.543 1093 H LEU 96 H LEU 96 -4.638 0.967 1.932 1094 HA LEU 96 HA LEU 96 -3.544 -1.651 1.897 1095 HB2 LEU 96 2HB LEU 96 -3.219 0.752 3.593 1096 HB3 LEU 96 1HB LEU 96 -2.742 -0.792 4.280 1097 HG LEU 96 HG LEU 96 -1.708 0.373 1.694 1098 HD11 LEU 96 1HD1 LEU 96 -0.914 1.573 3.658 1099 HD12 LEU 96 2HD1 LEU 96 0.383 0.656 2.892 1100 HD13 LEU 96 3HD1 LEU 96 -0.372 0.055 4.369 1101 HD21 LEU 96 1HD2 LEU 96 -0.915 -2.128 3.177 1102 HD22 LEU 96 2HD2 LEU 96 -0.100 -1.470 1.758 1103 HD23 LEU 96 3HD2 LEU 96 -1.758 -2.055 1.630 1104 H GLN 97 H GLN 97 -5.659 0.006 4.350 1105 HA GLN 97 HA GLN 97 -6.221 -2.266 5.835 1106 HB2 GLN 97 2HB GLN 97 -8.581 -1.036 6.028 1107 HB3 GLN 97 1HB GLN 97 -7.144 -0.439 6.846 1108 HG2 GLN 97 2HG GLN 97 -6.889 0.858 4.553 1109 HG3 GLN 97 1HG GLN 97 -8.637 0.638 4.549 1110 HE21 GLN 97 1HE2 GLN 97 -7.094 0.817 7.575 1111 HE22 GLN 97 2HE2 GLN 97 -7.548 2.441 7.959 1112 H GLN 98 H GLN 98 -7.128 -1.489 2.649 1113 HA GLN 98 HA GLN 98 -9.322 -3.339 2.491 1114 HB2 GLN 98 2HB GLN 98 -7.977 -1.417 0.675 1115 HB3 GLN 98 1HB GLN 98 -8.818 -2.764 -0.078 1116 HG2 GLN 98 2HG GLN 98 -9.873 -0.380 1.150 1117 HG3 GLN 98 1HG GLN 98 -10.665 -1.555 0.093 1118 HE21 GLN 98 1HE2 GLN 98 -11.482 -3.487 1.041 1119 HE22 GLN 98 2HE2 GLN 98 -12.001 -3.479 2.697 1120 H LEU 99 H LEU 99 -6.051 -3.211 1.073 1121 HA LEU 99 HA LEU 99 -6.363 -5.901 0.052 1122 HB2 LEU 99 2HB LEU 99 -4.028 -4.016 -0.118 1123 HB3 LEU 99 1HB LEU 99 -4.201 -5.521 -1.002 1124 HG LEU 99 HG LEU 99 -6.299 -3.424 -1.290 1125 HD11 LEU 99 1HD1 LEU 99 -4.216 -2.208 -1.610 1126 HD12 LEU 99 2HD1 LEU 99 -5.050 -2.427 -3.150 1127 HD13 LEU 99 3HD1 LEU 99 -3.659 -3.434 -2.748 1128 HD21 LEU 99 1HD2 LEU 99 -6.394 -4.384 -3.570 1129 HD22 LEU 99 2HD2 LEU 99 -6.730 -5.555 -2.295 1130 HD23 LEU 99 3HD2 LEU 99 -5.157 -5.545 -3.092 1131 H LEU 100 H LEU 100 -4.738 -4.387 2.750 1132 HA LEU 100 HA LEU 100 -2.706 -6.208 3.216 1133 HB2 LEU 100 2HB LEU 100 -4.235 -4.375 5.003 1134 HB3 LEU 100 1HB LEU 100 -3.135 -5.541 5.719 1135 HG LEU 100 HG LEU 100 -2.346 -3.498 3.641 1136 HD11 LEU 100 1HD1 LEU 100 -2.938 -2.401 5.764 1137 HD12 LEU 100 2HD1 LEU 100 -1.206 -2.312 5.448 1138 HD13 LEU 100 3HD1 LEU 100 -1.828 -3.471 6.621 1139 HD21 LEU 100 1HD2 LEU 100 -0.946 -5.425 3.527 1140 HD22 LEU 100 2HD2 LEU 100 -0.758 -5.457 5.279 1141 HD23 LEU 100 3HD2 LEU 100 -0.052 -4.141 4.341 1142 HA PRO 101 HA PRO 101 -5.494 -8.877 6.086 1143 HB2 PRO 101 2HB PRO 101 -8.199 -8.643 5.863 1144 HB3 PRO 101 1HB PRO 101 -7.230 -7.729 7.022 1145 HG2 PRO 101 2HG PRO 101 -8.311 -6.878 4.368 1146 HG3 PRO 101 1HG PRO 101 -8.254 -5.978 5.894 1147 HD2 PRO 101 2HD PRO 101 -6.483 -5.567 3.890 1148 HD3 PRO 101 1HD PRO 101 -6.051 -5.379 5.601 1149 H LYS 102 H LYS 102 -7.320 -8.227 3.042 1150 HA LYS 102 HA LYS 102 -8.110 -10.868 2.622 1151 HB2 LYS 102 2HB LYS 102 -8.177 -10.160 0.133 1152 HB3 LYS 102 1HB LYS 102 -9.242 -9.362 1.278 1153 HG2 LYS 102 2HG LYS 102 -7.890 -7.422 1.321 1154 HG3 LYS 102 1HG LYS 102 -6.585 -8.231 0.454 1155 HD2 LYS 102 2HD LYS 102 -7.856 -6.697 -0.992 1156 HD3 LYS 102 1HD LYS 102 -7.949 -8.367 -1.544 1157 HE2 LYS 102 2HE LYS 102 -10.112 -7.234 -1.692 1158 HE3 LYS 102 1HE LYS 102 -10.159 -8.593 -0.573 1159 HZ1 LYS 102 1HZ LYS 102 -10.861 -5.933 -0.076 1160 HZ2 LYS 102 2HZ LYS 102 -9.480 -6.271 0.854 1161 HZ3 LYS 102 3HZ LYS 102 -10.862 -7.243 1.011 1162 H PHE 103 H PHE 103 -5.069 -9.298 1.795 1163 HA PHE 103 HA PHE 103 -4.182 -11.744 0.453 1164 HB2 PHE 103 2HB PHE 103 -2.963 -8.991 0.635 1165 HB3 PHE 103 1HB PHE 103 -2.138 -10.366 -0.095 1166 HD1 PHE 103 1HD PHE 103 -4.656 -7.824 -0.508 1167 HD2 PHE 103 2HD PHE 103 -3.068 -11.415 -2.138 1168 HE1 PHE 103 1HE PHE 103 -5.790 -7.350 -2.635 1169 HE2 PHE 103 2HE PHE 103 -4.201 -10.946 -4.274 1170 HZ PHE 103 HZ PHE 103 -5.554 -8.905 -4.519 1171 H LYS 104 H LYS 104 -4.330 -10.717 3.525 1172 HA LYS 104 HA LYS 104 -1.678 -11.185 4.459 1173 HB2 LYS 104 2HB LYS 104 -3.660 -9.936 5.592 1174 HB3 LYS 104 1HB LYS 104 -4.151 -11.533 6.133 1175 HG2 LYS 104 2HG LYS 104 -2.512 -11.665 7.659 1176 HG3 LYS 104 1HG LYS 104 -1.342 -10.829 6.636 1177 HD2 LYS 104 2HD LYS 104 -3.619 -9.502 8.105 1178 HD3 LYS 104 1HD LYS 104 -1.944 -9.541 8.662 1179 HE2 LYS 104 2HE LYS 104 -1.231 -8.324 6.690 1180 HE3 LYS 104 1HE LYS 104 -2.874 -8.352 6.051 1181 HZ1 LYS 104 1HZ LYS 104 -1.975 -6.961 8.517 1182 HZ2 LYS 104 2HZ LYS 104 -3.580 -7.039 7.980 1183 HZ3 LYS 104 3HZ LYS 104 -2.416 -6.235 7.057 1184 H ARG 105 H ARG 105 -0.731 -13.105 4.224 1185 HA ARG 105 HA ARG 105 -2.224 -15.506 4.998 1186 HB2 ARG 105 2HB ARG 105 -1.288 -14.856 2.355 1187 HB3 ARG 105 1HB ARG 105 -0.446 -16.280 2.947 1188 HG2 ARG 105 2HG ARG 105 -2.364 -17.016 1.760 1189 HG3 ARG 105 1HG ARG 105 -2.672 -17.280 3.477 1190 HD2 ARG 105 2HD ARG 105 -3.568 -14.670 2.813 1191 HD3 ARG 105 1HD ARG 105 -4.202 -15.786 1.602 1192 HE ARG 105 HE ARG 105 -4.562 -16.835 4.218 1193 HH11 ARG 105 1HH1 ARG 105 -5.812 -14.336 2.095 1194 HH12 ARG 105 2HH1 ARG 105 -7.403 -14.387 2.767 1195 HH21 ARG 105 1HH2 ARG 105 -6.634 -16.919 5.102 1196 HH22 ARG 105 2HH2 ARG 105 -7.884 -15.870 4.488 1197 H LYS 106 H LYS 106 -1.218 -16.263 6.689 1198 HA LYS 106 HA LYS 106 1.598 -16.926 6.584 1199 HB2 LYS 106 2HB LYS 106 0.502 -14.843 8.448 1200 HB3 LYS 106 1HB LYS 106 1.801 -15.892 8.996 1201 HG2 LYS 106 2HG LYS 106 1.898 -14.099 6.580 1202 HG3 LYS 106 1HG LYS 106 2.643 -13.768 8.144 1203 HD2 LYS 106 2HD LYS 106 4.032 -15.785 7.888 1204 HD3 LYS 106 1HD LYS 106 3.306 -16.068 6.305 1205 HE2 LYS 106 2HE LYS 106 4.891 -13.626 7.093 1206 HE3 LYS 106 1HE LYS 106 5.505 -14.977 6.144 1207 HZ1 LYS 106 1HZ LYS 106 3.321 -13.118 5.369 1208 HZ2 LYS 106 2HZ LYS 106 3.792 -14.474 4.473 1209 HZ3 LYS 106 3HZ LYS 106 4.877 -13.188 4.692 1210 H ALA 107 H ALA 107 -0.999 -16.519 8.953 1211 HA ALA 107 HA ALA 107 -0.915 -19.407 9.509 1212 HB1 ALA 107 1HB ALA 107 -1.388 -18.904 11.877 1213 HB2 ALA 107 2HB ALA 107 -1.255 -17.180 11.529 1214 HB3 ALA 107 3HB ALA 107 0.157 -18.224 11.364 1215 H ASN 108 H ASN 108 -2.456 -17.651 7.766 1216 HA ASN 108 HA ASN 108 -5.086 -18.606 8.292 1217 HB2 ASN 108 2HB ASN 108 -5.558 -16.786 9.645 1218 HB3 ASN 108 1HB ASN 108 -4.356 -15.765 8.869 1219 HD21 ASN 108 1HD2 ASN 108 -4.912 -14.612 7.022 1220 HD22 ASN 108 2HD2 ASN 108 -6.554 -14.391 6.539 Start of MODEL 3 1 H ARG 390 2HT ARG 390 17.237 20.411 -7.708 2 HA ARG 390 HA ARG 390 17.070 17.782 -7.400 3 HB2 ARG 390 2HB ARG 390 15.120 19.598 -8.831 4 HB3 ARG 390 1HB ARG 390 14.711 18.010 -8.198 5 HG2 ARG 390 2HG ARG 390 15.937 19.925 -6.309 6 HG3 ARG 390 1HG ARG 390 14.293 20.267 -6.849 7 HD2 ARG 390 2HD ARG 390 14.206 18.980 -4.820 8 HD3 ARG 390 1HD ARG 390 13.630 17.993 -6.159 9 HE ARG 390 HE ARG 390 16.422 17.610 -5.594 10 HH11 ARG 390 1HH1 ARG 390 13.182 16.719 -4.640 11 HH12 ARG 390 2HH1 ARG 390 13.652 15.193 -3.956 12 HH21 ARG 390 1HH2 ARG 390 17.057 15.577 -4.687 13 HH22 ARG 390 2HH2 ARG 390 15.834 14.538 -3.996 14 H ARG 391 H ARG 391 16.380 15.991 -8.644 15 HA ARG 391 HA ARG 391 16.151 14.616 -10.430 16 HB2 ARG 391 2HB ARG 391 15.116 16.533 -11.621 17 HB3 ARG 391 1HB ARG 391 16.707 16.999 -12.198 18 HG2 ARG 391 2HG ARG 391 15.479 15.812 -13.915 19 HG3 ARG 391 1HG ARG 391 16.890 14.884 -13.410 20 HD2 ARG 391 2HD ARG 391 14.251 14.368 -12.113 21 HD3 ARG 391 1HD ARG 391 14.566 13.716 -13.720 22 HE ARG 391 HE ARG 391 16.751 12.974 -12.277 23 HH11 ARG 391 1HH1 ARG 391 13.297 12.553 -11.853 24 HH12 ARG 391 2HH1 ARG 391 13.456 11.058 -10.990 25 HH21 ARG 391 1HH2 ARG 391 16.955 10.992 -11.139 26 HH22 ARG 391 2HH2 ARG 391 15.525 10.170 -10.584 27 H ARG 392 H ARG 392 19.007 16.395 -9.800 28 HA ARG 392 HA ARG 392 20.506 14.509 -11.498 29 HB2 ARG 392 2HB ARG 392 22.390 16.121 -11.419 30 HB3 ARG 392 1HB ARG 392 20.958 16.751 -12.212 31 HG2 ARG 392 2HG ARG 392 20.867 18.473 -10.822 32 HG3 ARG 392 1HG ARG 392 20.937 17.413 -9.412 33 HD2 ARG 392 2HD ARG 392 23.345 18.249 -11.028 34 HD3 ARG 392 1HD ARG 392 22.811 19.059 -9.554 35 HE ARG 392 HE ARG 392 23.190 16.226 -9.234 36 HH11 ARG 392 1HH1 ARG 392 24.834 19.319 -9.228 37 HH12 ARG 392 2HH1 ARG 392 26.079 18.799 -8.143 38 HH21 ARG 392 1HH2 ARG 392 24.801 15.538 -7.798 39 HH22 ARG 392 2HH2 ARG 392 26.062 16.630 -7.325 40 H THR 393 H THR 393 19.479 13.967 -8.857 41 HA THR 393 HA THR 393 20.085 12.872 -6.974 42 HB THR 393 HB THR 393 22.899 12.686 -8.032 43 HG1 THR 393 1HG THR 393 22.226 11.383 -9.567 44 HG21 THR 393 1HG2 THR 393 21.178 10.828 -6.381 45 HG22 THR 393 2HG2 THR 393 22.520 11.807 -5.788 46 HG23 THR 393 3HG2 THR 393 22.822 10.487 -6.919 47 H GLU 394 H GLU 394 19.746 14.977 -5.964 48 HA GLU 394 HA GLU 394 21.817 15.567 -4.127 49 HB2 GLU 394 2HB GLU 394 21.673 18.135 -4.844 50 HB3 GLU 394 1HB GLU 394 22.915 17.057 -5.458 51 HG2 GLU 394 2HG GLU 394 21.903 18.488 -7.186 52 HG3 GLU 394 1HG GLU 394 21.736 16.766 -7.516 53 H ALA 395 H ALA 395 21.129 17.639 -2.828 54 HA ALA 395 HA ALA 395 18.233 17.403 -2.383 55 HB1 ALA 395 1HB ALA 395 18.700 18.090 -0.068 56 HB2 ALA 395 2HB ALA 395 20.422 18.158 -0.446 57 HB3 ALA 395 3HB ALA 395 19.564 16.617 -0.510 58 H LEU 396 H LEU 396 19.421 19.189 -4.346 59 HA LEU 396 HA LEU 396 19.384 21.836 -3.208 60 HB2 LEU 396 2HB LEU 396 20.780 21.195 -5.184 61 HB3 LEU 396 1HB LEU 396 19.305 21.036 -6.119 62 HG LEU 396 HG LEU 396 18.839 23.457 -5.668 63 HD11 LEU 396 1HD1 LEU 396 20.217 23.673 -3.652 64 HD12 LEU 396 2HD1 LEU 396 20.651 24.865 -4.878 65 HD13 LEU 396 3HD1 LEU 396 21.668 23.446 -4.628 66 HD21 LEU 396 1HD2 LEU 396 19.803 22.736 -7.779 67 HD22 LEU 396 2HD2 LEU 396 21.422 22.798 -7.081 68 HD23 LEU 396 3HD2 LEU 396 20.491 24.283 -7.284 69 H GLY 397 H GLY 397 17.370 21.981 -2.248 70 HA2 GLY 397 2HA GLY 397 15.345 23.316 -2.849 71 HA3 GLY 397 1HA GLY 397 15.078 22.116 -4.109 72 H ASP 398 H ASP 398 13.209 21.163 -3.450 73 HA ASP 398 HA ASP 398 12.741 20.494 -0.699 74 HB2 ASP 398 2HB ASP 398 10.764 20.964 -1.900 75 HB3 ASP 398 1HB ASP 398 11.242 19.952 -3.258 76 H ALA 399 H ALA 399 14.411 19.138 -0.084 77 HA ALA 399 HA ALA 399 14.001 16.367 -0.709 78 HB1 ALA 399 1HB ALA 399 15.445 17.033 -2.574 79 HB2 ALA 399 2HB ALA 399 16.241 15.886 -1.496 80 HB3 ALA 399 3HB ALA 399 16.652 17.600 -1.420 81 H GLU 400 H GLU 400 14.238 18.398 1.542 82 HA GLU 400 HA GLU 400 16.261 16.947 3.078 83 HB2 GLU 400 2HB GLU 400 15.872 19.708 2.826 84 HB3 GLU 400 1HB GLU 400 15.342 19.295 4.457 85 HG2 GLU 400 2HG GLU 400 17.997 18.575 3.229 86 HG3 GLU 400 1HG GLU 400 17.716 19.848 4.419 87 H GLU 401 H GLU 401 15.430 17.593 5.658 88 HA GLU 401 HA GLU 401 14.057 16.861 7.315 89 HB2 GLU 401 2HB GLU 401 12.156 17.995 6.510 90 HB3 GLU 401 1HB GLU 401 12.067 17.013 5.057 91 HG2 GLU 401 2HG GLU 401 10.241 16.503 6.542 92 HG3 GLU 401 1HG GLU 401 11.313 15.114 6.387 93 H ASP 402 H ASP 402 15.135 15.035 7.793 94 HA ASP 402 HA ASP 402 15.468 12.819 6.150 95 HB2 ASP 402 2HB ASP 402 16.916 13.381 8.088 96 HB3 ASP 402 1HB ASP 402 15.632 12.829 9.158 97 H GLU 403 H GLU 403 12.688 13.705 7.531 98 HA GLU 403 HA GLU 403 10.628 12.733 7.595 99 HB2 GLU 403 2HB GLU 403 12.167 10.486 6.321 100 HB3 GLU 403 1HB GLU 403 10.501 10.251 6.823 101 HG2 GLU 403 2HG GLU 403 10.075 10.890 4.721 102 HG3 GLU 403 1HG GLU 403 10.206 12.499 5.418 103 H ASP 404 H ASP 404 10.054 12.655 9.671 104 HA ASP 404 HA ASP 404 11.422 11.195 11.660 105 HB2 ASP 404 2HB ASP 404 9.202 11.619 12.980 106 HB3 ASP 404 1HB ASP 404 10.272 12.959 12.602 107 H ASP 405 H ASP 405 11.298 9.192 12.286 108 HA ASP 405 HA ASP 405 9.438 7.409 10.947 109 HB2 ASP 405 2HB ASP 405 11.662 6.723 12.887 110 HB3 ASP 405 1HB ASP 405 10.805 5.606 11.830 111 H GLU 406 H GLU 406 8.748 9.342 13.188 112 HA GLU 406 HA GLU 406 7.430 7.348 14.885 113 HB2 GLU 406 2HB GLU 406 7.568 9.094 16.735 114 HB3 GLU 406 1HB GLU 406 9.055 8.252 16.326 115 HG2 GLU 406 2HG GLU 406 9.895 10.330 16.361 116 HG3 GLU 406 1HG GLU 406 9.286 10.363 14.708 117 H ASP 407 H ASP 407 5.610 8.345 16.141 118 HA ASP 407 HA ASP 407 3.573 9.154 16.181 119 HB2 ASP 407 2HB ASP 407 4.749 11.302 16.324 120 HB3 ASP 407 1HB ASP 407 4.609 11.451 14.576 121 H PHE 408 H PHE 408 3.317 7.215 14.789 122 HA PHE 408 HA PHE 408 1.766 8.017 12.425 123 HB2 PHE 408 2HB PHE 408 3.520 5.552 12.729 124 HB3 PHE 408 1HB PHE 408 2.304 5.725 11.484 125 HD1 PHE 408 1HD PHE 408 2.940 6.490 9.438 126 HD2 PHE 408 2HD PHE 408 5.281 7.522 12.829 127 HE1 PHE 408 1HE PHE 408 4.560 7.611 7.974 128 HE2 PHE 408 2HE PHE 408 6.901 8.650 11.370 129 HZ PHE 408 HZ PHE 408 6.533 8.701 8.945 130 H VAL 409 H VAL 409 -0.238 7.462 12.571 131 HA VAL 409 HA VAL 409 -1.081 5.990 14.901 132 HB VAL 409 HB VAL 409 -3.382 6.762 14.051 133 HG11 VAL 409 1HG1 VAL 409 -2.910 8.981 14.888 134 HG12 VAL 409 2HG1 VAL 409 -1.189 8.714 14.601 135 HG13 VAL 409 3HG1 VAL 409 -2.039 7.762 15.819 136 HG21 VAL 409 1HG2 VAL 409 -2.873 7.232 11.764 137 HG22 VAL 409 2HG2 VAL 409 -1.599 8.349 12.253 138 HG23 VAL 409 3HG2 VAL 409 -3.286 8.728 12.599 139 H GLU 410 H GLU 410 -1.492 3.973 14.902 140 HA GLU 410 HA GLU 410 -1.021 2.355 12.713 141 HB2 GLU 410 2HB GLU 410 -0.971 1.758 15.208 142 HB3 GLU 410 1HB GLU 410 -2.700 1.475 15.054 143 HG2 GLU 410 2HG GLU 410 -2.421 -0.387 13.751 144 HG3 GLU 410 1HG GLU 410 -0.856 0.144 13.138 145 H VAL 411 H VAL 411 -2.074 2.000 11.035 146 HA VAL 411 HA VAL 411 -4.907 2.611 10.844 147 HB VAL 411 HB VAL 411 -3.110 1.761 8.555 148 HG11 VAL 411 1HG1 VAL 411 -5.540 1.771 8.208 149 HG12 VAL 411 2HG1 VAL 411 -4.734 3.021 7.260 150 HG13 VAL 411 3HG1 VAL 411 -5.600 3.452 8.736 151 HG21 VAL 411 1HG2 VAL 411 -2.712 4.081 8.115 152 HG22 VAL 411 2HG2 VAL 411 -2.024 3.579 9.660 153 HG23 VAL 411 3HG2 VAL 411 -3.518 4.518 9.621 154 HA PRO 412 HA PRO 412 -5.615 -1.804 11.286 155 HB2 PRO 412 2HB PRO 412 -8.245 -1.661 11.658 156 HB3 PRO 412 1HB PRO 412 -7.132 -1.038 12.888 157 HG2 PRO 412 2HG PRO 412 -8.592 0.473 10.733 158 HG3 PRO 412 1HG PRO 412 -8.497 0.837 12.468 159 HD2 PRO 412 2HD PRO 412 -6.904 2.037 10.634 160 HD3 PRO 412 1HD PRO 412 -6.368 1.707 12.295 161 H GLU 413 H GLU 413 -7.155 -3.371 10.276 162 HA GLU 413 HA GLU 413 -7.284 -2.935 7.417 163 HB2 GLU 413 2HB GLU 413 -8.363 -5.388 8.751 164 HB3 GLU 413 1HB GLU 413 -7.520 -5.238 7.217 165 HG2 GLU 413 2HG GLU 413 -6.122 -4.775 9.826 166 HG3 GLU 413 1HG GLU 413 -6.316 -6.391 9.146 167 H LYS 414 H LYS 414 -9.249 -3.148 6.185 168 HA LYS 414 HA LYS 414 -11.651 -2.620 7.801 169 HB2 LYS 414 2HB LYS 414 -10.585 -1.318 5.408 170 HB3 LYS 414 1HB LYS 414 -12.301 -1.702 5.314 171 HG2 LYS 414 2HG LYS 414 -12.840 -0.071 6.720 172 HG3 LYS 414 1HG LYS 414 -11.587 -0.544 7.868 173 HD2 LYS 414 2HD LYS 414 -10.787 1.507 7.285 174 HD3 LYS 414 1HD LYS 414 -10.019 0.533 6.031 175 HE2 LYS 414 2HE LYS 414 -11.420 1.285 4.387 176 HE3 LYS 414 1HE LYS 414 -12.725 1.655 5.514 177 HZ1 LYS 414 1HZ LYS 414 -11.341 3.573 4.440 178 HZ2 LYS 414 2HZ LYS 414 -10.221 3.198 5.654 179 HZ3 LYS 414 3HZ LYS 414 -11.791 3.666 6.070 180 H GLU 415 H GLU 415 -10.502 -4.140 4.820 181 HA GLU 415 HA GLU 415 -11.223 -5.918 3.620 182 HB2 GLU 415 2HB GLU 415 -11.113 -7.030 5.848 183 HB3 GLU 415 1HB GLU 415 -12.809 -6.644 6.088 184 HG2 GLU 415 2HG GLU 415 -13.278 -7.963 3.988 185 HG3 GLU 415 1HG GLU 415 -11.606 -8.518 4.076 186 H GLY 416 H GLY 416 -14.139 -5.297 5.555 187 HA2 GLY 416 2HA GLY 416 -15.779 -5.380 3.154 188 HA3 GLY 416 1HA GLY 416 -16.355 -5.257 4.813 189 H TYR 417 H TYR 417 -14.433 -3.400 2.503 190 HA TYR 417 HA TYR 417 -15.898 -0.981 3.318 191 HB2 TYR 417 2HB TYR 417 -13.677 -0.872 4.242 192 HB3 TYR 417 1HB TYR 417 -12.963 -1.344 2.709 193 HD1 TYR 417 1HD TYR 417 -15.250 1.351 3.966 194 HD2 TYR 417 2HD TYR 417 -11.888 0.313 1.578 195 HE1 TYR 417 1HE TYR 417 -14.906 3.723 3.423 196 HE2 TYR 417 2HE TYR 417 -11.537 2.676 1.025 197 HH TYR 417 HH TYR 417 -12.197 4.982 2.332 198 H GLU 418 H GLU 418 -17.042 -0.196 1.675 199 HA GLU 418 HA GLU 418 -16.027 -0.589 -1.059 200 HB2 GLU 418 2HB GLU 418 -18.267 -1.753 -0.114 201 HB3 GLU 418 1HB GLU 418 -18.942 -0.216 -0.637 202 HG2 GLU 418 2HG GLU 418 -17.305 -2.025 -2.395 203 HG3 GLU 418 1HG GLU 418 -19.067 -2.028 -2.329 204 HA PRO 419 HA PRO 419 -16.417 3.888 -0.728 205 HB2 PRO 419 2HB PRO 419 -14.152 4.450 -2.096 206 HB3 PRO 419 1HB PRO 419 -14.157 3.962 -0.400 207 HG2 PRO 419 2HG PRO 419 -13.250 2.474 -2.754 208 HG3 PRO 419 1HG PRO 419 -12.913 2.176 -1.043 209 HD2 PRO 419 2HD PRO 419 -14.864 0.889 -2.767 210 HD3 PRO 419 1HD PRO 419 -14.394 0.466 -1.108 211 H HIS 420 H HIS 420 -16.349 1.875 -3.531 212 HA HIS 420 HA HIS 420 -16.605 2.240 -5.777 213 HB2 HIS 420 2HB HIS 420 -18.890 3.370 -6.212 214 HB3 HIS 420 1HB HIS 420 -18.836 1.858 -5.323 215 HD1 HIS 420 1HD HIS 420 -19.744 1.863 -2.959 216 HD2 HIS 420 2HD HIS 420 -19.530 5.657 -4.650 217 HE1 HIS 420 1HE HIS 420 -21.001 3.417 -1.396 218 H ILE 421 H ILE 421 -18.199 4.465 -6.908 219 HA ILE 421 HA ILE 421 -16.451 6.754 -6.623 220 HB ILE 421 HB ILE 421 -16.871 6.444 -9.431 221 HG12 ILE 421 2HG1 ILE 421 -16.639 3.952 -8.497 222 HG13 ILE 421 1HG1 ILE 421 -15.982 4.455 -10.049 223 HG21 ILE 421 1HG2 ILE 421 -14.369 6.608 -7.789 224 HG22 ILE 421 2HG2 ILE 421 -15.277 7.948 -8.491 225 HG23 ILE 421 3HG2 ILE 421 -14.457 6.793 -9.542 226 HD11 ILE 421 1HD1 ILE 421 -13.777 4.708 -9.052 227 HD12 ILE 421 2HD1 ILE 421 -14.406 3.082 -8.779 228 HD13 ILE 421 3HD1 ILE 421 -14.427 4.267 -7.473 229 HA PRO 422 HA PRO 422 -20.364 8.160 -8.842 230 HB2 PRO 422 2HB PRO 422 -21.417 6.304 -10.670 231 HB3 PRO 422 1HB PRO 422 -20.223 7.550 -11.033 232 HG2 PRO 422 2HG PRO 422 -19.779 4.791 -11.145 233 HG3 PRO 422 1HG PRO 422 -18.525 6.044 -11.100 234 HD2 PRO 422 2HD PRO 422 -19.677 4.453 -8.832 235 HD3 PRO 422 1HD PRO 422 -17.981 4.873 -9.171 236 H ASP 423 H ASP 423 -22.178 8.384 -7.657 237 HA ASP 423 HA ASP 423 -23.452 6.037 -6.516 238 HB2 ASP 423 2HB ASP 423 -23.257 7.727 -4.905 239 HB3 ASP 423 1HB ASP 423 -23.722 8.992 -6.038 240 H HIS 424 H HIS 424 -25.192 5.127 -7.289 241 HA HIS 424 HA HIS 424 -27.067 6.652 -8.918 242 HB2 HIS 424 2HB HIS 424 -27.161 4.372 -10.332 243 HB3 HIS 424 1HB HIS 424 -26.135 5.726 -10.781 244 HD1 HIS 424 1HD HIS 424 -23.767 5.102 -11.230 245 HD2 HIS 424 2HD HIS 424 -25.642 2.409 -8.679 246 HE1 HIS 424 1HE HIS 424 -22.096 3.254 -10.792 247 H LEU 425 H LEU 425 -26.966 5.551 -6.203 248 HA LEU 425 HA LEU 425 -28.995 3.435 -6.314 249 HB2 LEU 425 2HB LEU 425 -27.473 4.589 -3.971 250 HB3 LEU 425 1HB LEU 425 -28.613 3.261 -3.878 251 HG LEU 425 HG LEU 425 -26.035 3.199 -5.449 252 HD11 LEU 425 1HD1 LEU 425 -25.241 1.694 -3.684 253 HD12 LEU 425 2HD1 LEU 425 -26.723 1.991 -2.773 254 HD13 LEU 425 3HD1 LEU 425 -25.588 3.310 -3.067 255 HD21 LEU 425 1HD2 LEU 425 -27.766 1.741 -6.363 256 HD22 LEU 425 2HD2 LEU 425 -28.011 1.023 -4.771 257 HD23 LEU 425 3HD2 LEU 425 -26.477 0.800 -5.611 258 H ARG 426 H ARG 426 -29.413 6.245 -7.025 259 HA ARG 426 HA ARG 426 -31.603 6.861 -5.163 260 HB2 ARG 426 2HB ARG 426 -29.526 8.678 -6.356 261 HB3 ARG 426 1HB ARG 426 -31.095 9.304 -5.870 262 HG2 ARG 426 2HG ARG 426 -30.704 8.879 -3.619 263 HG3 ARG 426 1HG ARG 426 -29.404 7.735 -3.963 264 HD2 ARG 426 2HD ARG 426 -28.793 10.093 -3.111 265 HD3 ARG 426 1HD ARG 426 -27.887 9.416 -4.464 266 HE ARG 426 HE ARG 426 -30.141 11.282 -4.888 267 HH11 ARG 426 1HH1 ARG 426 -26.830 10.256 -5.462 268 HH12 ARG 426 2HH1 ARG 426 -26.511 11.537 -6.594 269 HH21 ARG 426 1HH2 ARG 426 -29.729 12.958 -6.366 270 HH22 ARG 426 2HH2 ARG 426 -28.158 13.073 -7.114 271 HA PRO 427 HA PRO 427 -34.025 7.125 -8.863 272 HB2 PRO 427 2HB PRO 427 -35.864 9.038 -7.777 273 HB3 PRO 427 1HB PRO 427 -36.047 7.286 -7.863 274 HG2 PRO 427 2HG PRO 427 -35.759 8.721 -5.524 275 HG3 PRO 427 1HG PRO 427 -35.394 6.996 -5.702 276 HD2 PRO 427 2HD PRO 427 -33.537 9.340 -5.704 277 HD3 PRO 427 1HD PRO 427 -33.315 7.723 -4.999 278 H GLU 428 H GLU 428 -31.811 9.073 -8.593 279 HA GLU 428 HA GLU 428 -32.799 11.062 -10.507 280 HB2 GLU 428 2HB GLU 428 -30.758 11.902 -8.481 281 HB3 GLU 428 1HB GLU 428 -31.873 12.893 -9.408 282 HG2 GLU 428 2HG GLU 428 -33.369 12.883 -7.772 283 HG3 GLU 428 1HG GLU 428 -33.284 11.128 -7.610 284 H TYR 429 H TYR 429 -31.790 9.794 -12.132 285 HA TYR 429 HA TYR 429 -28.876 10.143 -12.196 286 HB2 TYR 429 2HB TYR 429 -29.738 7.772 -11.387 287 HB3 TYR 429 1HB TYR 429 -29.956 7.514 -13.114 288 HD1 TYR 429 1HD TYR 429 -28.248 6.287 -14.050 289 HD2 TYR 429 2HD TYR 429 -27.304 9.076 -10.978 290 HE1 TYR 429 1HE TYR 429 -25.870 5.696 -14.254 291 HE2 TYR 429 2HE TYR 429 -24.922 8.494 -11.175 292 HH TYR 429 HH TYR 429 -23.638 6.822 -13.747 293 H GLY 430 H GLY 430 -31.625 10.869 -13.640 294 HA2 GLY 430 2HA GLY 430 -31.838 11.847 -15.762 295 HA3 GLY 430 1HA GLY 430 -30.349 11.051 -16.259 296 H LEU 431 H LEU 431 -32.575 9.067 -14.643 297 HA LEU 431 HA LEU 431 -33.451 7.895 -17.211 298 HB2 LEU 431 2HB LEU 431 -33.058 6.482 -14.565 299 HB3 LEU 431 1HB LEU 431 -33.521 5.735 -16.082 300 HG LEU 431 HG LEU 431 -30.873 7.115 -15.647 301 HD11 LEU 431 1HD1 LEU 431 -29.909 4.891 -15.426 302 HD12 LEU 431 2HD1 LEU 431 -31.516 4.172 -15.519 303 HD13 LEU 431 3HD1 LEU 431 -31.085 5.193 -14.147 304 HD21 LEU 431 1HD2 LEU 431 -30.221 5.925 -17.672 305 HD22 LEU 431 2HD2 LEU 431 -31.609 6.969 -17.975 306 HD23 LEU 431 3HD2 LEU 431 -31.837 5.229 -17.796 307 H GLU 432 H GLU 432 -34.447 9.884 -15.075 308 HA GLU 432 HA GLU 432 -36.833 8.779 -14.002 309 HB2 GLU 432 2HB GLU 432 -35.978 11.660 -14.344 310 HB3 GLU 432 1HB GLU 432 -37.338 11.117 -13.375 311 HG2 GLU 432 2HG GLU 432 -35.608 11.505 -11.850 312 HG3 GLU 432 1HG GLU 432 -35.669 9.755 -12.041 313 H ALA 433 H ALA 433 -38.182 7.984 -15.532 314 HA ALA 433 HA ALA 433 -39.239 9.907 -17.496 315 HB1 ALA 433 1HB ALA 433 -39.613 8.075 -19.037 316 HB2 ALA 433 2HB ALA 433 -38.987 6.922 -17.859 317 HB3 ALA 433 3HB ALA 433 -37.913 8.128 -18.570 318 H ALA 434 H ALA 434 -41.491 9.387 -18.181 319 HA ALA 434 HA ALA 434 -43.113 7.817 -16.401 320 HB1 ALA 434 1HB ALA 434 -42.859 9.883 -15.094 321 HB2 ALA 434 2HB ALA 434 -44.520 9.671 -15.649 322 HB3 ALA 434 3HB ALA 434 -43.458 10.819 -16.464 323 H MET 1 2HT MET 1 0.925 -10.211 -11.389 324 HA MET 1 HA MET 1 0.065 -12.192 -10.152 325 HB2 MET 1 2HB MET 1 -1.481 -11.049 -8.684 326 HB3 MET 1 1HB MET 1 -2.358 -10.385 -10.054 327 HG2 MET 1 2HG MET 1 -3.601 -12.200 -9.090 328 HG3 MET 1 1HG MET 1 -3.038 -12.654 -10.696 329 HE1 MET 1 1HE MET 1 -1.278 -14.240 -6.733 330 HE2 MET 1 2HE MET 1 -2.731 -13.245 -6.842 331 HE3 MET 1 3HE MET 1 -1.154 -12.550 -7.221 332 H ALA 2 H ALA 2 -1.497 -9.970 -12.450 333 HA ALA 2 HA ALA 2 -2.186 -12.210 -14.185 334 HB1 ALA 2 1HB ALA 2 -3.269 -10.504 -15.590 335 HB2 ALA 2 2HB ALA 2 -2.673 -9.247 -14.504 336 HB3 ALA 2 3HB ALA 2 -3.832 -10.442 -13.920 337 H THR 3 H THR 3 -0.128 -9.346 -14.164 338 HA THR 3 HA THR 3 1.168 -10.210 -16.643 339 HB THR 3 HB THR 3 2.135 -7.779 -15.252 340 HG1 THR 3 1HG THR 3 -0.177 -7.707 -14.900 341 HG21 THR 3 1HG2 THR 3 1.232 -8.298 -18.089 342 HG22 THR 3 2HG2 THR 3 2.890 -8.440 -17.505 343 HG23 THR 3 3HG2 THR 3 2.088 -6.870 -17.510 344 H SER 4 H SER 4 3.731 -9.365 -16.349 345 HA SER 4 HA SER 4 4.883 -11.385 -14.685 346 HB2 SER 4 2HB SER 4 6.553 -9.240 -15.913 347 HB3 SER 4 1HB SER 4 6.822 -10.984 -15.857 348 HG SER 4 HG SER 4 5.750 -11.207 -17.662 349 H SER 5 H SER 5 3.479 -8.868 -13.578 350 HA SER 5 HA SER 5 5.223 -8.526 -11.312 351 HB2 SER 5 2HB SER 5 4.401 -6.118 -12.970 352 HB3 SER 5 1HB SER 5 5.268 -6.070 -11.435 353 HG SER 5 HG SER 5 6.604 -7.689 -13.046 354 H GLU 6 H GLU 6 3.907 -6.581 -9.932 355 HA GLU 6 HA GLU 6 1.262 -7.759 -9.695 356 HB2 GLU 6 2HB GLU 6 3.156 -6.470 -7.883 357 HB3 GLU 6 1HB GLU 6 1.512 -5.877 -7.689 358 HG2 GLU 6 2HG GLU 6 2.103 -7.771 -6.205 359 HG3 GLU 6 1HG GLU 6 0.696 -8.061 -7.228 360 H GLU 7 H GLU 7 -0.430 -6.814 -10.516 361 HA GLU 7 HA GLU 7 -0.430 -4.589 -12.117 362 HB2 GLU 7 2HB GLU 7 -2.648 -5.862 -10.514 363 HB3 GLU 7 1HB GLU 7 -2.939 -4.556 -11.654 364 HG2 GLU 7 2HG GLU 7 -3.413 -6.751 -12.622 365 HG3 GLU 7 1HG GLU 7 -2.123 -5.917 -13.480 366 H VAL 8 H VAL 8 -0.294 -2.468 -11.771 367 HA VAL 8 HA VAL 8 -0.162 -1.481 -9.064 368 HB VAL 8 HB VAL 8 0.012 0.117 -11.626 369 HG11 VAL 8 1HG1 VAL 8 -0.415 1.454 -9.633 370 HG12 VAL 8 2HG1 VAL 8 1.214 1.738 -10.245 371 HG13 VAL 8 3HG1 VAL 8 0.971 0.715 -8.829 372 HG21 VAL 8 1HG2 VAL 8 2.422 -0.082 -11.465 373 HG22 VAL 8 2HG2 VAL 8 1.695 -1.684 -11.579 374 HG23 VAL 8 3HG2 VAL 8 2.266 -1.083 -10.022 375 H LEU 9 H LEU 9 -1.984 -1.099 -8.024 376 HA LEU 9 HA LEU 9 -4.372 -0.262 -9.474 377 HB2 LEU 9 2HB LEU 9 -4.138 -0.785 -6.519 378 HB3 LEU 9 1HB LEU 9 -5.591 -0.779 -7.498 379 HG LEU 9 HG LEU 9 -3.392 -2.844 -7.659 380 HD11 LEU 9 1HD1 LEU 9 -6.145 -2.957 -6.438 381 HD12 LEU 9 2HD1 LEU 9 -4.606 -3.029 -5.579 382 HD13 LEU 9 3HD1 LEU 9 -5.075 -4.341 -6.661 383 HD21 LEU 9 1HD2 LEU 9 -4.873 -4.060 -9.121 384 HD22 LEU 9 2HD2 LEU 9 -4.587 -2.453 -9.789 385 HD23 LEU 9 3HD2 LEU 9 -6.108 -2.810 -8.970 386 H LEU 10 H LEU 10 -1.961 0.982 -7.271 387 HA LEU 10 HA LEU 10 -3.312 3.604 -7.434 388 HB2 LEU 10 2HB LEU 10 -3.608 2.344 -5.215 389 HB3 LEU 10 1HB LEU 10 -1.915 2.710 -4.930 390 HG LEU 10 HG LEU 10 -2.544 5.159 -5.285 391 HD11 LEU 10 1HD1 LEU 10 -4.872 5.747 -4.847 392 HD12 LEU 10 2HD1 LEU 10 -5.310 4.040 -4.870 393 HD13 LEU 10 3HD1 LEU 10 -4.712 4.818 -6.337 394 HD21 LEU 10 1HD2 LEU 10 -3.651 3.629 -2.940 395 HD22 LEU 10 2HD2 LEU 10 -3.389 5.372 -2.978 396 HD23 LEU 10 3HD2 LEU 10 -2.017 4.271 -3.106 397 H ILE 11 H ILE 11 -2.030 5.272 -7.929 398 HA ILE 11 HA ILE 11 0.884 4.848 -7.834 399 HB ILE 11 HB ILE 11 -0.703 6.348 -9.928 400 HG12 ILE 11 2HG1 ILE 11 1.076 3.909 -10.153 401 HG13 ILE 11 1HG1 ILE 11 -0.683 3.887 -10.178 402 HG21 ILE 11 1HG2 ILE 11 2.286 6.079 -9.623 403 HG22 ILE 11 2HG2 ILE 11 1.343 7.556 -9.416 404 HG23 ILE 11 3HG2 ILE 11 1.458 6.797 -11.005 405 HD11 ILE 11 1HD1 ILE 11 1.076 5.252 -12.202 406 HD12 ILE 11 2HD1 ILE 11 -0.686 5.165 -12.239 407 HD13 ILE 11 3HD1 ILE 11 0.273 3.696 -12.411 408 H VAL 12 H VAL 12 1.643 6.044 -6.226 409 HA VAL 12 HA VAL 12 0.570 8.769 -5.843 410 HB VAL 12 HB VAL 12 1.931 6.963 -3.834 411 HG11 VAL 12 1HG1 VAL 12 1.437 8.721 -2.208 412 HG12 VAL 12 2HG1 VAL 12 0.792 9.736 -3.498 413 HG13 VAL 12 3HG1 VAL 12 2.504 9.310 -3.484 414 HG21 VAL 12 1HG2 VAL 12 -0.922 7.934 -3.996 415 HG22 VAL 12 2HG2 VAL 12 -0.235 6.947 -2.705 416 HG23 VAL 12 3HG2 VAL 12 -0.368 6.296 -4.340 417 H LYS 13 H LYS 13 1.895 10.284 -6.588 418 HA LYS 13 HA LYS 13 4.718 9.696 -6.963 419 HB2 LYS 13 2HB LYS 13 2.841 11.787 -7.956 420 HB3 LYS 13 1HB LYS 13 4.554 12.173 -7.900 421 HG2 LYS 13 2HG LYS 13 3.269 9.897 -9.397 422 HG3 LYS 13 1HG LYS 13 3.983 11.356 -10.090 423 HD2 LYS 13 2HD LYS 13 6.168 10.703 -9.177 424 HD3 LYS 13 1HD LYS 13 5.445 9.236 -8.517 425 HE2 LYS 13 2HE LYS 13 4.858 8.521 -10.794 426 HE3 LYS 13 1HE LYS 13 5.629 9.973 -11.437 427 HZ1 LYS 13 1HZ LYS 13 7.326 8.478 -11.613 428 HZ2 LYS 13 2HZ LYS 13 6.855 7.583 -10.257 429 HZ3 LYS 13 3HZ LYS 13 7.649 9.074 -10.059 430 H LYS 14 H LYS 14 6.257 11.550 -6.443 431 HA LYS 14 HA LYS 14 7.427 12.602 -4.830 432 HB2 LYS 14 2HB LYS 14 4.748 13.799 -4.859 433 HB3 LYS 14 1HB LYS 14 5.752 14.213 -3.473 434 HG2 LYS 14 2HG LYS 14 6.945 14.442 -6.183 435 HG3 LYS 14 1HG LYS 14 5.743 15.643 -5.701 436 HD2 LYS 14 2HD LYS 14 7.388 15.432 -3.486 437 HD3 LYS 14 1HD LYS 14 8.507 15.324 -4.847 438 HE2 LYS 14 2HE LYS 14 8.238 17.484 -5.377 439 HE3 LYS 14 1HE LYS 14 6.489 17.405 -5.176 440 HZ1 LYS 14 1HZ LYS 14 6.987 17.431 -2.698 441 HZ2 LYS 14 2HZ LYS 14 7.199 18.883 -3.540 442 HZ3 LYS 14 3HZ LYS 14 8.554 17.940 -3.116 443 H VAL 15 H VAL 15 7.527 10.359 -3.884 444 HA VAL 15 HA VAL 15 6.594 10.505 -1.093 445 HB VAL 15 HB VAL 15 6.780 7.987 -2.767 446 HG11 VAL 15 1HG1 VAL 15 5.818 6.874 -0.781 447 HG12 VAL 15 2HG1 VAL 15 5.997 8.379 0.121 448 HG13 VAL 15 3HG1 VAL 15 7.425 7.536 -0.481 449 HG21 VAL 15 1HG2 VAL 15 4.825 9.299 -3.337 450 HG22 VAL 15 2HG2 VAL 15 4.394 9.435 -1.632 451 HG23 VAL 15 3HG2 VAL 15 4.347 7.863 -2.431 452 H ARG 16 H ARG 16 8.297 10.673 0.214 453 HA ARG 16 HA ARG 16 10.886 9.714 -0.778 454 HB2 ARG 16 2HB ARG 16 10.115 11.802 1.233 455 HB3 ARG 16 1HB ARG 16 11.730 11.106 1.239 456 HG2 ARG 16 2HG ARG 16 11.723 11.730 -1.280 457 HG3 ARG 16 1HG ARG 16 10.419 12.822 -0.814 458 HD2 ARG 16 2HD ARG 16 13.000 12.782 0.700 459 HD3 ARG 16 1HD ARG 16 12.852 13.691 -0.804 460 HE ARG 16 HE ARG 16 11.552 14.272 1.741 461 HH11 ARG 16 1HH1 ARG 16 11.923 14.997 -1.676 462 HH12 ARG 16 2HH1 ARG 16 11.231 16.594 -1.543 463 HH21 ARG 16 1HH2 ARG 16 10.671 16.398 1.914 464 HH22 ARG 16 2HH2 ARG 16 10.534 17.398 0.489 465 H GLN 17 H GLN 17 12.049 8.231 0.221 466 HA GLN 17 HA GLN 17 11.026 7.085 2.736 467 HB2 GLN 17 2HB GLN 17 10.826 5.771 0.443 468 HB3 GLN 17 1HB GLN 17 12.525 5.434 0.733 469 HG2 GLN 17 2HG GLN 17 10.418 4.853 2.783 470 HG3 GLN 17 1HG GLN 17 10.827 3.711 1.505 471 HE21 GLN 17 1HE2 GLN 17 12.903 2.791 1.482 472 HE22 GLN 17 2HE2 GLN 17 13.877 2.740 2.905 473 H LYS 18 H LYS 18 12.451 7.854 4.205 474 HA LYS 18 HA LYS 18 14.366 8.464 5.241 475 HB2 LYS 18 2HB LYS 18 14.808 5.811 4.052 476 HB3 LYS 18 1HB LYS 18 16.238 6.620 4.685 477 HG2 LYS 18 2HG LYS 18 13.717 5.922 6.187 478 HG3 LYS 18 1HG LYS 18 15.300 5.166 6.363 479 HD2 LYS 18 2HD LYS 18 15.590 6.605 8.062 480 HD3 LYS 18 1HD LYS 18 15.866 7.812 6.805 481 HE2 LYS 18 2HE LYS 18 13.611 8.553 6.904 482 HE3 LYS 18 1HE LYS 18 13.138 7.185 7.907 483 HZ1 LYS 18 1HZ LYS 18 15.137 9.160 8.848 484 HZ2 LYS 18 2HZ LYS 18 14.183 8.082 9.762 485 HZ3 LYS 18 3HZ LYS 18 13.472 9.426 9.024 486 H LYS 19 H LYS 19 14.336 10.291 3.619 487 HA LYS 19 HA LYS 19 15.436 11.811 2.376 488 HB2 LYS 19 2HB LYS 19 17.538 10.176 3.589 489 HB3 LYS 19 1HB LYS 19 18.057 11.205 2.258 490 HG2 LYS 19 2HG LYS 19 16.556 12.183 4.682 491 HG3 LYS 19 1HG LYS 19 18.314 12.198 4.537 492 HD2 LYS 19 2HD LYS 19 18.141 14.204 3.566 493 HD3 LYS 19 1HD LYS 19 17.358 13.417 2.196 494 HE2 LYS 19 2HE LYS 19 16.091 14.720 4.579 495 HE3 LYS 19 1HE LYS 19 15.914 15.141 2.877 496 HZ1 LYS 19 1HZ LYS 19 14.987 12.552 3.984 497 HZ2 LYS 19 2HZ LYS 19 14.591 13.252 2.499 498 HZ3 LYS 19 3HZ LYS 19 13.999 13.923 3.933 499 H GLN 20 H GLN 20 14.447 9.293 1.051 500 HA GLN 20 HA GLN 20 16.050 9.588 -1.404 501 HB2 GLN 20 2HB GLN 20 14.724 7.136 -0.259 502 HB3 GLN 20 1HB GLN 20 15.193 7.241 -1.951 503 HG2 GLN 20 2HG GLN 20 17.434 7.195 -1.479 504 HG3 GLN 20 1HG GLN 20 17.215 7.838 0.148 505 HE21 GLN 20 1HE2 GLN 20 16.694 6.464 1.818 506 HE22 GLN 20 2HE2 GLN 20 16.811 4.744 1.675 507 H ASP 21 H ASP 21 14.969 10.616 -2.932 508 HA ASP 21 HA ASP 21 12.127 11.003 -2.775 509 HB2 ASP 21 2HB ASP 21 14.108 11.792 -4.921 510 HB3 ASP 21 1HB ASP 21 12.423 12.295 -4.875 511 H GLY 22 H GLY 22 10.576 9.850 -3.729 512 HA2 GLY 22 2HA GLY 22 11.012 8.489 -6.220 513 HA3 GLY 22 1HA GLY 22 10.888 7.393 -4.851 514 H ALA 23 H ALA 23 9.023 6.508 -5.812 515 HA ALA 23 HA ALA 23 6.606 8.019 -5.151 516 HB1 ALA 23 1HB ALA 23 7.102 8.278 -7.602 517 HB2 ALA 23 2HB ALA 23 5.536 7.564 -7.223 518 HB3 ALA 23 3HB ALA 23 6.865 6.538 -7.759 519 H LEU 24 H LEU 24 4.862 6.742 -4.569 520 HA LEU 24 HA LEU 24 5.571 3.958 -3.958 521 HB2 LEU 24 2HB LEU 24 4.931 5.543 -2.102 522 HB3 LEU 24 1HB LEU 24 3.317 5.574 -2.789 523 HG LEU 24 HG LEU 24 3.362 3.021 -2.533 524 HD11 LEU 24 1HD1 LEU 24 4.802 2.164 -0.777 525 HD12 LEU 24 2HD1 LEU 24 5.581 3.740 -0.633 526 HD13 LEU 24 3HD1 LEU 24 5.752 2.804 -2.118 527 HD21 LEU 24 1HD2 LEU 24 3.304 4.819 -0.113 528 HD22 LEU 24 2HD2 LEU 24 2.646 3.184 -0.182 529 HD23 LEU 24 3HD2 LEU 24 1.951 4.456 -1.186 530 H TYR 25 H TYR 25 4.539 2.342 -4.904 531 HA TYR 25 HA TYR 25 2.091 2.962 -6.422 532 HB2 TYR 25 2HB TYR 25 4.196 0.925 -7.184 533 HB3 TYR 25 1HB TYR 25 2.776 1.373 -8.120 534 HD1 TYR 25 1HD TYR 25 6.173 2.285 -7.190 535 HD2 TYR 25 2HD TYR 25 2.695 3.541 -9.291 536 HE1 TYR 25 1HE TYR 25 7.503 3.986 -8.360 537 HE2 TYR 25 2HE TYR 25 4.015 5.249 -10.469 538 HH TYR 25 HH TYR 25 7.435 5.294 -10.405 539 H LEU 26 H LEU 26 0.391 1.966 -5.553 540 HA LEU 26 HA LEU 26 0.773 -0.348 -3.857 541 HB2 LEU 26 2HB LEU 26 -1.726 1.130 -4.672 542 HB3 LEU 26 1HB LEU 26 -1.726 -0.277 -3.627 543 HG LEU 26 HG LEU 26 -0.914 2.508 -3.054 544 HD11 LEU 26 1HD1 LEU 26 -3.039 1.605 -2.267 545 HD12 LEU 26 2HD1 LEU 26 -1.976 2.007 -0.919 546 HD13 LEU 26 3HD1 LEU 26 -2.180 0.326 -1.409 547 HD21 LEU 26 1HD2 LEU 26 1.170 1.319 -2.707 548 HD22 LEU 26 2HD2 LEU 26 0.339 0.146 -1.684 549 HD23 LEU 26 3HD2 LEU 26 0.468 1.830 -1.172 550 H MET 27 H MET 27 0.753 -2.340 -4.576 551 HA MET 27 HA MET 27 -0.304 -2.828 -7.277 552 HB2 MET 27 2HB MET 27 1.462 -4.786 -5.927 553 HB3 MET 27 1HB MET 27 1.342 -4.316 -7.619 554 HG2 MET 27 2HG MET 27 2.357 -2.090 -6.884 555 HG3 MET 27 1HG MET 27 2.799 -2.937 -5.405 556 HE1 MET 27 1HE MET 27 4.779 -3.107 -9.449 557 HE2 MET 27 2HE MET 27 3.995 -1.761 -8.623 558 HE3 MET 27 3HE MET 27 3.022 -3.060 -9.313 559 H ALA 28 H ALA 28 -1.433 -4.778 -7.651 560 HA ALA 28 HA ALA 28 -3.569 -5.290 -6.051 561 HB1 ALA 28 1HB ALA 28 -3.351 -5.967 -8.394 562 HB2 ALA 28 2HB ALA 28 -3.962 -7.267 -7.372 563 HB3 ALA 28 3HB ALA 28 -2.281 -7.280 -7.902 564 H GLU 29 H GLU 29 -0.451 -7.008 -5.869 565 HA GLU 29 HA GLU 29 -1.552 -8.462 -3.556 566 HB2 GLU 29 2HB GLU 29 0.853 -9.425 -5.063 567 HB3 GLU 29 1HB GLU 29 -0.266 -10.339 -4.065 568 HG2 GLU 29 2HG GLU 29 -0.857 -9.194 -6.788 569 HG3 GLU 29 1HG GLU 29 -0.511 -10.883 -6.424 570 H ARG 30 H ARG 30 0.531 -5.959 -4.254 571 HA ARG 30 HA ARG 30 1.811 -6.222 -1.681 572 HB2 ARG 30 2HB ARG 30 4.078 -6.329 -2.406 573 HB3 ARG 30 1HB ARG 30 3.220 -7.623 -3.230 574 HG2 ARG 30 2HG ARG 30 3.147 -6.348 -5.269 575 HG3 ARG 30 1HG ARG 30 3.847 -4.945 -4.460 576 HD2 ARG 30 2HD ARG 30 5.771 -5.747 -5.310 577 HD3 ARG 30 1HD ARG 30 5.715 -6.798 -3.895 578 HE ARG 30 HE ARG 30 4.307 -8.006 -6.022 579 HH11 ARG 30 1HH1 ARG 30 7.580 -7.243 -5.019 580 HH12 ARG 30 2HH1 ARG 30 8.285 -8.538 -5.932 581 HH21 ARG 30 1HH2 ARG 30 5.205 -9.691 -7.209 582 HH22 ARG 30 2HH2 ARG 30 6.930 -9.946 -7.182 583 H ILE 31 H ILE 31 3.426 -4.415 -1.340 584 HA ILE 31 HA ILE 31 2.555 -2.005 -2.785 585 HB ILE 31 HB ILE 31 1.691 -1.737 -0.595 586 HG12 ILE 31 2HG1 ILE 31 4.376 -0.345 -0.541 587 HG13 ILE 31 1HG1 ILE 31 2.994 0.205 -1.482 588 HG21 ILE 31 1HG2 ILE 31 4.341 -2.746 0.409 589 HG22 ILE 31 2HG2 ILE 31 2.763 -3.522 0.557 590 HG23 ILE 31 3HG2 ILE 31 3.100 -2.032 1.440 591 HD11 ILE 31 1HD1 ILE 31 3.141 -0.012 1.516 592 HD12 ILE 31 2HD1 ILE 31 1.717 0.475 0.598 593 HD13 ILE 31 3HD1 ILE 31 3.172 1.471 0.560 594 H ALA 32 H ALA 32 4.158 -0.998 -3.850 595 HA ALA 32 HA ALA 32 6.906 -1.576 -2.984 596 HB1 ALA 32 1HB ALA 32 6.366 -2.949 -4.923 597 HB2 ALA 32 2HB ALA 32 7.605 -1.753 -5.304 598 HB3 ALA 32 3HB ALA 32 5.941 -1.501 -5.835 599 H TRP 33 H TRP 33 8.451 -0.042 -3.398 600 HA TRP 33 HA TRP 33 7.499 2.612 -4.225 601 HB2 TRP 33 2HB TRP 33 7.635 2.629 -1.789 602 HB3 TRP 33 1HB TRP 33 9.260 1.965 -1.846 603 HD1 TRP 33 HD TRP 33 7.340 5.226 -2.302 604 HE1 TRP 33 1HE TRP 33 9.017 7.180 -2.378 605 HE3 TRP 33 3HE TRP 33 11.699 2.555 -2.462 606 HZ2 TRP 33 2HZ TRP 33 11.809 7.535 -2.491 607 HZ3 TRP 33 3HZ TRP 33 13.827 3.782 -2.551 608 HH2 TRP 33 HH TRP 33 13.880 6.221 -2.568 609 H ALA 34 H ALA 34 8.837 3.645 -5.603 610 HA ALA 34 HA ALA 34 11.524 2.524 -6.022 611 HB1 ALA 34 1HB ALA 34 9.557 3.235 -8.200 612 HB2 ALA 34 2HB ALA 34 10.077 1.608 -7.757 613 HB3 ALA 34 3HB ALA 34 11.233 2.746 -8.449 614 HA PRO 35 HA PRO 35 12.765 6.765 -5.703 615 HB2 PRO 35 2HB PRO 35 14.955 6.042 -7.557 616 HB3 PRO 35 1HB PRO 35 15.042 6.686 -5.916 617 HG2 PRO 35 2HG PRO 35 15.659 4.133 -6.456 618 HG3 PRO 35 1HG PRO 35 14.866 4.603 -4.942 619 HD2 PRO 35 2HD PRO 35 13.700 3.323 -7.378 620 HD3 PRO 35 1HD PRO 35 13.323 3.043 -5.665 621 H GLU 36 H GLU 36 12.547 8.624 -6.927 622 HA GLU 36 HA GLU 36 11.031 8.419 -9.288 623 HB2 GLU 36 2HB GLU 36 11.115 10.357 -7.604 624 HB3 GLU 36 1HB GLU 36 12.534 10.899 -8.493 625 HG2 GLU 36 2HG GLU 36 10.357 11.955 -9.160 626 HG3 GLU 36 1HG GLU 36 11.292 11.231 -10.471 627 H GLY 37 H GLY 37 11.675 7.893 -11.226 628 HA2 GLY 37 2HA GLY 37 12.920 8.271 -13.203 629 HA3 GLY 37 1HA GLY 37 14.231 8.916 -12.225 630 H LYS 38 H LYS 38 13.006 6.078 -10.883 631 HA LYS 38 HA LYS 38 15.217 4.561 -12.091 632 HB2 LYS 38 2HB LYS 38 15.333 4.947 -9.620 633 HB3 LYS 38 1HB LYS 38 13.854 4.011 -9.450 634 HG2 LYS 38 2HG LYS 38 15.952 2.750 -8.973 635 HG3 LYS 38 1HG LYS 38 14.926 2.026 -10.212 636 HD2 LYS 38 2HD LYS 38 16.370 3.189 -11.922 637 HD3 LYS 38 1HD LYS 38 17.467 3.600 -10.603 638 HE2 LYS 38 2HE LYS 38 18.124 1.416 -10.290 639 HE3 LYS 38 1HE LYS 38 16.632 0.760 -10.964 640 HZ1 LYS 38 1HZ LYS 38 18.685 2.156 -12.590 641 HZ2 LYS 38 2HZ LYS 38 17.347 1.279 -13.155 642 HZ3 LYS 38 3HZ LYS 38 18.633 0.477 -12.393 643 H ASP 39 H ASP 39 14.868 2.684 -13.065 644 HA ASP 39 HA ASP 39 12.166 1.970 -13.791 645 HB2 ASP 39 2HB ASP 39 13.262 0.439 -15.355 646 HB3 ASP 39 1HB ASP 39 14.007 2.035 -15.445 647 H ARG 40 H ARG 40 13.473 1.352 -11.009 648 HA ARG 40 HA ARG 40 12.347 -1.317 -10.842 649 HB2 ARG 40 2HB ARG 40 15.011 -1.186 -11.309 650 HB3 ARG 40 1HB ARG 40 15.000 -1.112 -9.552 651 HG2 ARG 40 2HG ARG 40 15.260 -3.391 -10.254 652 HG3 ARG 40 1HG ARG 40 13.677 -3.193 -9.503 653 HD2 ARG 40 2HD ARG 40 13.677 -4.574 -11.589 654 HD3 ARG 40 1HD ARG 40 12.584 -3.191 -11.624 655 HE ARG 40 HE ARG 40 14.194 -2.053 -13.043 656 HH11 ARG 40 1HH1 ARG 40 14.595 -5.512 -12.665 657 HH12 ARG 40 2HH1 ARG 40 15.515 -5.694 -14.119 658 HH21 ARG 40 1HH2 ARG 40 15.412 -2.265 -14.942 659 HH22 ARG 40 2HH2 ARG 40 15.980 -3.841 -15.427 660 H PHE 41 H PHE 41 11.555 -1.811 -8.854 661 HA PHE 41 HA PHE 41 11.345 0.361 -6.957 662 HB2 PHE 41 2HB PHE 41 10.224 -2.427 -6.641 663 HB3 PHE 41 1HB PHE 41 9.663 -0.945 -5.879 664 HD1 PHE 41 1HD PHE 41 9.577 -3.011 -8.871 665 HD2 PHE 41 2HD PHE 41 8.337 0.673 -7.138 666 HE1 PHE 41 1HE PHE 41 7.920 -2.725 -10.668 667 HE2 PHE 41 2HE PHE 41 6.682 0.964 -8.933 668 HZ PHE 41 HZ PHE 41 6.470 -0.734 -10.700 669 H THR 42 H THR 42 12.567 0.571 -5.178 670 HA THR 42 HA THR 42 14.515 -1.488 -4.557 671 HB THR 42 HB THR 42 15.011 0.362 -2.693 672 HG1 THR 42 1HG THR 42 14.267 2.331 -3.237 673 HG21 THR 42 1HG2 THR 42 16.551 -0.356 -4.478 674 HG22 THR 42 2HG2 THR 42 16.593 1.390 -4.239 675 HG23 THR 42 3HG2 THR 42 15.720 0.710 -5.612 676 H ILE 43 H ILE 43 11.483 -0.348 -3.433 677 HA ILE 43 HA ILE 43 11.703 -2.028 -1.017 678 HB ILE 43 HB ILE 43 9.893 0.358 -1.453 679 HG12 ILE 43 2HG1 ILE 43 12.260 1.000 -1.150 680 HG13 ILE 43 1HG1 ILE 43 11.258 1.514 0.202 681 HG21 ILE 43 1HG2 ILE 43 9.300 0.100 0.902 682 HG22 ILE 43 2HG2 ILE 43 10.309 -1.343 0.999 683 HG23 ILE 43 3HG2 ILE 43 8.878 -1.336 -0.033 684 HD11 ILE 43 1HD1 ILE 43 13.035 -0.916 0.177 685 HD12 ILE 43 2HD1 ILE 43 12.075 -0.334 1.538 686 HD13 ILE 43 3HD1 ILE 43 13.417 0.634 0.928 687 H SER 44 H SER 44 10.446 -3.794 -1.048 688 HA SER 44 HA SER 44 7.901 -3.726 -2.474 689 HB2 SER 44 2HB SER 44 9.353 -4.640 -4.157 690 HB3 SER 44 1HB SER 44 10.111 -5.727 -2.997 691 HG SER 44 HG SER 44 8.106 -6.816 -2.819 692 H HIS 45 H HIS 45 6.504 -4.181 -0.903 693 HA HIS 45 HA HIS 45 7.102 -6.465 0.870 694 HB2 HIS 45 2HB HIS 45 5.714 -3.867 1.548 695 HB3 HIS 45 1HB HIS 45 5.673 -5.287 2.584 696 HD1 HIS 45 1HD HIS 45 8.238 -6.117 3.325 697 HD2 HIS 45 2HD HIS 45 7.699 -2.182 2.120 698 HE1 HIS 45 1HE HIS 45 10.192 -4.816 4.255 699 H MET 46 H MET 46 5.663 -8.059 0.830 700 HA MET 46 HA MET 46 3.268 -7.689 -0.771 701 HB2 MET 46 2HB MET 46 3.960 -10.168 0.812 702 HB3 MET 46 1HB MET 46 2.971 -10.044 -0.634 703 HG2 MET 46 2HG MET 46 5.937 -9.547 -0.576 704 HG3 MET 46 1HG MET 46 5.201 -11.098 -0.969 705 HE1 MET 46 1HE MET 46 2.624 -10.225 -2.704 706 HE2 MET 46 2HE MET 46 3.728 -11.557 -3.048 707 HE3 MET 46 3HE MET 46 3.350 -10.378 -4.304 708 H TYR 47 H TYR 47 1.151 -7.901 0.094 709 HA TYR 47 HA TYR 47 0.816 -6.700 2.619 710 HB2 TYR 47 2HB TYR 47 -1.244 -8.291 1.071 711 HB3 TYR 47 1HB TYR 47 -1.571 -7.168 2.388 712 HD1 TYR 47 1HD TYR 47 -1.959 -7.368 -0.943 713 HD2 TYR 47 2HD TYR 47 -0.028 -4.849 1.885 714 HE1 TYR 47 1HE TYR 47 -2.058 -5.501 -2.541 715 HE2 TYR 47 2HE TYR 47 -0.127 -2.978 0.296 716 HH TYR 47 HH TYR 47 -1.373 -3.425 -2.985 717 H ALA 48 H ALA 48 1.301 -9.963 1.736 718 HA ALA 48 HA ALA 48 0.142 -11.163 4.056 719 HB1 ALA 48 1HB ALA 48 1.119 -13.213 3.263 720 HB2 ALA 48 2HB ALA 48 2.167 -12.330 2.155 721 HB3 ALA 48 3HB ALA 48 0.422 -12.342 1.897 722 H ASP 49 H ASP 49 3.035 -9.447 3.527 723 HA ASP 49 HA ASP 49 4.372 -10.783 5.781 724 HB2 ASP 49 2HB ASP 49 5.710 -8.572 4.295 725 HB3 ASP 49 1HB ASP 49 6.405 -10.026 4.992 726 H ILE 50 H ILE 50 2.390 -8.192 5.138 727 HA ILE 50 HA ILE 50 3.637 -6.428 7.123 728 HB ILE 50 HB ILE 50 1.194 -5.879 5.432 729 HG12 ILE 50 2HG1 ILE 50 4.027 -4.970 4.900 730 HG13 ILE 50 1HG1 ILE 50 3.292 -6.359 4.104 731 HG21 ILE 50 1HG2 ILE 50 1.657 -3.546 5.957 732 HG22 ILE 50 2HG2 ILE 50 3.046 -4.032 6.929 733 HG23 ILE 50 3HG2 ILE 50 1.417 -4.489 7.429 734 HD11 ILE 50 1HD1 ILE 50 1.568 -4.887 3.173 735 HD12 ILE 50 2HD1 ILE 50 3.194 -4.412 2.683 736 HD13 ILE 50 3HD1 ILE 50 2.351 -3.506 3.940 737 H LYS 51 H LYS 51 2.867 -6.293 9.166 738 HA LYS 51 HA LYS 51 0.693 -7.954 10.027 739 HB2 LYS 51 2HB LYS 51 2.443 -7.663 11.610 740 HB3 LYS 51 1HB LYS 51 2.440 -5.917 11.412 741 HG2 LYS 51 2HG LYS 51 0.008 -6.105 12.357 742 HG3 LYS 51 1HG LYS 51 0.586 -7.650 12.980 743 HD2 LYS 51 2HD LYS 51 2.414 -6.513 14.134 744 HD3 LYS 51 1HD LYS 51 1.877 -4.966 13.480 745 HE2 LYS 51 2HE LYS 51 0.130 -6.715 15.203 746 HE3 LYS 51 1HE LYS 51 1.194 -5.477 15.866 747 HZ1 LYS 51 1HZ LYS 51 -1.247 -4.888 15.393 748 HZ2 LYS 51 2HZ LYS 51 -0.770 -4.787 13.775 749 HZ3 LYS 51 3HZ LYS 51 -0.058 -3.778 14.929 750 H CYS 52 H CYS 52 1.263 -4.479 9.872 751 HA CYS 52 HA CYS 52 -1.452 -3.889 9.175 752 HB2 CYS 52 2HB CYS 52 -1.841 -2.403 11.153 753 HB3 CYS 52 1HB CYS 52 -1.813 -4.116 11.557 754 HG CYS 52 HG CYS 52 -0.496 -2.252 13.435 755 H GLN 53 H GLN 53 -1.592 -1.232 9.504 756 HA GLN 53 HA GLN 53 0.995 -0.245 8.528 757 HB2 GLN 53 2HB GLN 53 -0.491 1.247 7.042 758 HB3 GLN 53 1HB GLN 53 -0.341 -0.434 6.580 759 HG2 GLN 53 2HG GLN 53 -2.481 -0.936 7.173 760 HG3 GLN 53 1HG GLN 53 -2.573 0.358 8.364 761 HE21 GLN 53 1HE2 GLN 53 -4.521 -0.236 6.446 762 HE22 GLN 53 2HE2 GLN 53 -4.654 1.129 5.384 763 H LYS 54 H LYS 54 1.067 2.188 8.796 764 HA LYS 54 HA LYS 54 -0.760 3.264 10.822 765 HB2 LYS 54 2HB LYS 54 2.205 3.736 11.132 766 HB3 LYS 54 1HB LYS 54 0.924 3.979 12.300 767 HG2 LYS 54 2HG LYS 54 0.853 1.268 11.867 768 HG3 LYS 54 1HG LYS 54 2.576 1.650 11.808 769 HD2 LYS 54 2HD LYS 54 2.121 3.018 13.940 770 HD3 LYS 54 1HD LYS 54 0.618 2.097 14.032 771 HE2 LYS 54 2HE LYS 54 2.001 0.013 13.885 772 HE3 LYS 54 1HE LYS 54 3.431 1.030 14.061 773 HZ1 LYS 54 1HZ LYS 54 2.251 1.874 16.157 774 HZ2 LYS 54 2HZ LYS 54 2.972 0.347 16.209 775 HZ3 LYS 54 3HZ LYS 54 1.290 0.480 16.020 776 H ILE 55 H ILE 55 -0.471 5.634 10.939 777 HA ILE 55 HA ILE 55 0.780 6.720 8.475 778 HB ILE 55 HB ILE 55 -1.300 8.277 8.424 779 HG12 ILE 55 2HG1 ILE 55 -2.261 5.986 10.108 780 HG13 ILE 55 1HG1 ILE 55 -2.183 7.680 10.548 781 HG21 ILE 55 1HG2 ILE 55 -1.556 5.371 7.649 782 HG22 ILE 55 2HG2 ILE 55 -0.856 6.653 6.662 783 HG23 ILE 55 3HG2 ILE 55 -2.577 6.675 7.046 784 HD11 ILE 55 1HD1 ILE 55 -4.028 6.464 8.527 785 HD12 ILE 55 2HD1 ILE 55 -3.951 8.170 8.972 786 HD13 ILE 55 3HD1 ILE 55 -4.437 6.968 10.167 787 H SER 56 H SER 56 1.935 8.627 8.869 788 HA SER 56 HA SER 56 1.969 9.635 11.532 789 HB2 SER 56 2HB SER 56 3.606 11.136 10.845 790 HB3 SER 56 1HB SER 56 3.783 9.898 9.607 791 HG SER 56 HG SER 56 2.241 12.268 9.352 792 HA PRO 57 HA PRO 57 -2.151 11.185 11.245 793 HB2 PRO 57 2HB PRO 57 -2.022 12.514 13.654 794 HB3 PRO 57 1HB PRO 57 -2.366 10.792 13.454 795 HG2 PRO 57 2HG PRO 57 0.221 12.142 14.104 796 HG3 PRO 57 1HG PRO 57 -0.489 10.676 14.810 797 HD2 PRO 57 2HD PRO 57 1.442 10.511 13.000 798 HD3 PRO 57 1HD PRO 57 0.080 9.374 12.981 799 H GLU 58 H GLU 58 -3.288 13.241 11.506 800 HA GLU 58 HA GLU 58 -2.095 15.380 10.109 801 HB2 GLU 58 2HB GLU 58 -4.583 15.299 11.841 802 HB3 GLU 58 1HB GLU 58 -4.149 16.633 10.785 803 HG2 GLU 58 2HG GLU 58 -5.820 15.287 9.719 804 HG3 GLU 58 1HG GLU 58 -4.298 15.118 8.847 805 H GLY 59 H GLY 59 -1.279 17.344 10.880 806 HA2 GLY 59 2HA GLY 59 -0.984 18.894 12.758 807 HA3 GLY 59 1HA GLY 59 -0.843 17.481 13.799 808 H LYS 60 H LYS 60 0.801 15.978 11.935 809 HA LYS 60 HA LYS 60 3.364 16.988 12.651 810 HB2 LYS 60 2HB LYS 60 2.366 14.714 10.983 811 HB3 LYS 60 1HB LYS 60 4.017 15.244 10.723 812 HG2 LYS 60 2HG LYS 60 4.245 14.954 13.306 813 HG3 LYS 60 1HG LYS 60 2.802 13.949 13.132 814 HD2 LYS 60 2HD LYS 60 3.884 12.390 11.811 815 HD3 LYS 60 1HD LYS 60 5.139 13.524 11.315 816 HE2 LYS 60 2HE LYS 60 4.824 12.316 14.058 817 HE3 LYS 60 1HE LYS 60 5.997 11.814 12.847 818 HZ1 LYS 60 1HZ LYS 60 5.881 14.462 14.171 819 HZ2 LYS 60 2HZ LYS 60 6.996 14.020 12.972 820 HZ3 LYS 60 3HZ LYS 60 7.010 13.236 14.479 821 H ALA 61 H ALA 61 5.028 17.695 11.089 822 HA ALA 61 HA ALA 61 4.015 19.676 9.316 823 HB1 ALA 61 1HB ALA 61 6.383 20.078 8.749 824 HB2 ALA 61 2HB ALA 61 6.828 18.646 9.678 825 HB3 ALA 61 3HB ALA 61 6.102 20.034 10.489 826 H LYS 62 H LYS 62 4.089 16.471 8.919 827 HA LYS 62 HA LYS 62 3.772 16.651 6.082 828 HB2 LYS 62 2HB LYS 62 5.451 14.840 5.620 829 HB3 LYS 62 1HB LYS 62 6.151 16.393 6.057 830 HG2 LYS 62 2HG LYS 62 6.382 15.535 8.391 831 HG3 LYS 62 1HG LYS 62 5.892 13.951 7.787 832 HD2 LYS 62 2HD LYS 62 7.796 13.836 6.346 833 HD3 LYS 62 1HD LYS 62 8.229 15.512 6.702 834 HE2 LYS 62 2HE LYS 62 8.222 13.213 8.651 835 HE3 LYS 62 1HE LYS 62 9.646 13.978 7.943 836 HZ1 LYS 62 1HZ LYS 62 8.581 14.664 10.308 837 HZ2 LYS 62 2HZ LYS 62 7.834 15.785 9.284 838 HZ3 LYS 62 3HZ LYS 62 9.524 15.706 9.349 839 H ILE 63 H ILE 63 2.722 14.840 5.248 840 HA ILE 63 HA ILE 63 1.462 13.151 7.288 841 HB ILE 63 HB ILE 63 0.590 13.790 4.459 842 HG12 ILE 63 2HG1 ILE 63 -1.347 14.770 6.106 843 HG13 ILE 63 1HG1 ILE 63 0.093 15.050 7.079 844 HG21 ILE 63 1HG2 ILE 63 -1.520 12.727 5.072 845 HG22 ILE 63 2HG2 ILE 63 -0.832 12.276 6.633 846 HG23 ILE 63 3HG2 ILE 63 -0.169 11.596 5.146 847 HD11 ILE 63 1HD1 ILE 63 1.083 16.315 5.237 848 HD12 ILE 63 2HD1 ILE 63 -0.464 16.996 5.743 849 HD13 ILE 63 3HD1 ILE 63 -0.365 16.031 4.270 850 H GLN 64 H GLN 64 2.163 11.055 7.435 851 HA GLN 64 HA GLN 64 3.259 9.889 4.935 852 HB2 GLN 64 2HB GLN 64 4.600 9.485 7.595 853 HB3 GLN 64 1HB GLN 64 5.217 9.099 5.996 854 HG2 GLN 64 2HG GLN 64 5.756 11.289 5.529 855 HG3 GLN 64 1HG GLN 64 4.611 11.930 6.707 856 HE21 GLN 64 1HE2 GLN 64 5.136 11.827 8.911 857 HE22 GLN 64 2HE2 GLN 64 6.790 11.719 9.443 858 H LEU 65 H LEU 65 3.739 7.528 5.148 859 HA LEU 65 HA LEU 65 1.730 6.173 6.835 860 HB2 LEU 65 2HB LEU 65 1.278 6.129 4.345 861 HB3 LEU 65 1HB LEU 65 2.757 5.206 4.165 862 HG LEU 65 HG LEU 65 1.543 3.681 6.002 863 HD11 LEU 65 1HD1 LEU 65 -0.831 3.461 5.436 864 HD12 LEU 65 2HD1 LEU 65 -0.709 4.914 4.442 865 HD13 LEU 65 3HD1 LEU 65 -0.441 5.011 6.182 866 HD21 LEU 65 1HD2 LEU 65 0.857 2.213 4.220 867 HD22 LEU 65 2HD2 LEU 65 2.421 2.939 3.851 868 HD23 LEU 65 3HD2 LEU 65 0.962 3.534 3.058 869 H GLN 66 H GLN 66 2.370 4.179 7.747 870 HA GLN 66 HA GLN 66 5.221 3.490 7.536 871 HB2 GLN 66 2HB GLN 66 4.725 4.757 9.610 872 HB3 GLN 66 1HB GLN 66 3.564 3.524 10.061 873 HG2 GLN 66 2HG GLN 66 5.277 1.875 10.273 874 HG3 GLN 66 1HG GLN 66 6.485 2.977 9.613 875 HE21 GLN 66 1HE2 GLN 66 7.385 4.517 10.896 876 HE22 GLN 66 2HE2 GLN 66 7.137 4.594 12.609 877 H LEU 67 H LEU 67 5.487 1.425 6.962 878 HA LEU 67 HA LEU 67 3.232 -0.418 7.223 879 HB2 LEU 67 2HB LEU 67 5.830 -0.555 5.714 880 HB3 LEU 67 1HB LEU 67 4.756 -1.930 5.864 881 HG LEU 67 HG LEU 67 4.212 0.670 4.448 882 HD11 LEU 67 1HD1 LEU 67 4.340 -2.195 3.522 883 HD12 LEU 67 2HD1 LEU 67 5.572 -0.963 3.251 884 HD13 LEU 67 3HD1 LEU 67 3.980 -0.795 2.511 885 HD21 LEU 67 1HD2 LEU 67 2.198 -0.013 5.653 886 HD22 LEU 67 2HD2 LEU 67 2.327 -1.632 4.965 887 HD23 LEU 67 3HD2 LEU 67 2.007 -0.251 3.915 888 H VAL 68 H VAL 68 3.150 -1.533 9.095 889 HA VAL 68 HA VAL 68 5.678 -2.270 10.373 890 HB VAL 68 HB VAL 68 2.842 -2.283 11.408 891 HG11 VAL 68 1HG1 VAL 68 5.315 -3.363 12.764 892 HG12 VAL 68 2HG1 VAL 68 3.939 -4.316 12.211 893 HG13 VAL 68 3HG1 VAL 68 3.737 -3.154 13.523 894 HG21 VAL 68 1HG2 VAL 68 3.942 -0.145 11.461 895 HG22 VAL 68 2HG2 VAL 68 5.366 -0.854 12.219 896 HG23 VAL 68 3HG2 VAL 68 3.841 -0.780 13.103 897 H LEU 69 H LEU 69 6.504 -4.127 9.846 898 HA LEU 69 HA LEU 69 4.917 -6.118 8.523 899 HB2 LEU 69 2HB LEU 69 7.819 -6.204 9.305 900 HB3 LEU 69 1HB LEU 69 7.001 -7.332 8.237 901 HG LEU 69 HG LEU 69 7.981 -4.597 7.713 902 HD11 LEU 69 1HD1 LEU 69 7.665 -7.063 6.031 903 HD12 LEU 69 2HD1 LEU 69 9.127 -6.558 6.878 904 HD13 LEU 69 3HD1 LEU 69 8.495 -5.583 5.550 905 HD21 LEU 69 1HD2 LEU 69 5.547 -4.345 7.407 906 HD22 LEU 69 2HD2 LEU 69 5.602 -5.647 6.218 907 HD23 LEU 69 3HD2 LEU 69 6.476 -4.143 5.921 908 H HIS 70 H HIS 70 5.713 -8.513 9.247 909 HA HIS 70 HA HIS 70 4.301 -8.957 11.666 910 HB2 HIS 70 2HB HIS 70 5.839 -10.801 9.856 911 HB3 HIS 70 1HB HIS 70 4.997 -11.361 11.295 912 HD1 HIS 70 1HD HIS 70 2.464 -9.429 10.814 913 HD2 HIS 70 2HD HIS 70 4.156 -12.068 8.097 914 HE1 HIS 70 1HE HIS 70 0.666 -9.955 9.120 915 H ALA 71 H ALA 71 7.726 -8.592 11.045 916 HA ALA 71 HA ALA 71 8.336 -9.801 13.647 917 HB1 ALA 71 1HB ALA 71 9.697 -10.487 11.721 918 HB2 ALA 71 2HB ALA 71 10.664 -9.713 12.977 919 HB3 ALA 71 3HB ALA 71 10.233 -8.819 11.520 920 H GLY 72 H GLY 72 7.179 -6.986 12.883 921 HA2 GLY 72 2HA GLY 72 7.131 -5.080 14.258 922 HA3 GLY 72 1HA GLY 72 8.641 -5.607 14.996 923 H ASP 73 H ASP 73 8.543 -5.765 11.634 924 HA ASP 73 HA ASP 73 10.610 -3.803 11.325 925 HB2 ASP 73 2HB ASP 73 9.115 -4.972 9.009 926 HB3 ASP 73 1HB ASP 73 10.824 -4.617 9.148 927 H THR 74 H THR 74 10.411 -1.865 10.026 928 HA THR 74 HA THR 74 7.660 -1.058 9.449 929 HB THR 74 HB THR 74 8.104 1.197 10.501 930 HG1 THR 74 1HG THR 74 10.420 0.897 10.656 931 HG21 THR 74 1HG2 THR 74 8.129 -1.155 12.393 932 HG22 THR 74 2HG2 THR 74 6.699 -0.458 11.632 933 HG23 THR 74 3HG2 THR 74 7.632 0.489 12.791 934 H THR 75 H THR 75 7.474 0.011 7.620 935 HA THR 75 HA THR 75 9.876 1.222 6.421 936 HB THR 75 HB THR 75 7.545 0.385 4.740 937 HG1 THR 75 1HG THR 75 8.970 -1.671 4.564 938 HG21 THR 75 1HG2 THR 75 9.312 1.610 3.659 939 HG22 THR 75 2HG2 THR 75 9.395 -0.069 3.126 940 HG23 THR 75 3HG2 THR 75 10.533 0.530 4.332 941 H ASN 76 H ASN 76 9.751 3.378 6.486 942 HA ASN 76 HA ASN 76 7.172 4.685 6.752 943 HB2 ASN 76 2HB ASN 76 9.997 5.469 7.210 944 HB3 ASN 76 1HB ASN 76 8.871 6.748 6.776 945 HD21 ASN 76 1HD2 ASN 76 9.069 7.698 8.779 946 HD22 ASN 76 2HD2 ASN 76 8.339 7.028 10.190 947 H PHE 77 H PHE 77 6.200 5.921 5.296 948 HA PHE 77 HA PHE 77 7.626 6.554 2.804 949 HB2 PHE 77 2HB PHE 77 4.801 5.503 3.078 950 HB3 PHE 77 1HB PHE 77 5.469 6.167 1.588 951 HD1 PHE 77 1HD PHE 77 4.739 3.220 3.197 952 HD2 PHE 77 2HD PHE 77 7.893 5.082 1.032 953 HE1 PHE 77 1HE PHE 77 5.653 1.007 2.627 954 HE2 PHE 77 2HE PHE 77 8.810 2.875 0.455 955 HZ PHE 77 HZ PHE 77 7.688 0.834 1.253 956 H HIS 78 H HIS 78 7.905 8.666 2.972 957 HA HIS 78 HA HIS 78 5.875 10.374 4.170 958 HB2 HIS 78 2HB HIS 78 8.076 10.901 4.847 959 HB3 HIS 78 1HB HIS 78 8.707 10.765 3.216 960 HD1 HIS 78 1HD HIS 78 9.787 13.115 3.298 961 HD2 HIS 78 2HD HIS 78 5.670 13.128 3.905 962 HE1 HIS 78 1HE HIS 78 9.043 15.525 3.120 963 H PHE 79 H PHE 79 4.324 11.245 2.997 964 HA PHE 79 HA PHE 79 4.497 11.264 0.114 965 HB2 PHE 79 2HB PHE 79 2.324 12.251 1.984 966 HB3 PHE 79 1HB PHE 79 2.184 12.151 0.230 967 HD1 PHE 79 1HD PHE 79 1.693 10.106 -0.846 968 HD2 PHE 79 2HD PHE 79 2.538 10.167 3.321 969 HE1 PHE 79 1HE PHE 79 0.917 7.781 -0.658 970 HE2 PHE 79 2HE PHE 79 1.762 7.842 3.518 971 HZ PHE 79 HZ PHE 79 0.945 6.647 1.527 972 H SER 80 H SER 80 6.180 12.682 -0.252 973 HA SER 80 HA SER 80 6.246 15.316 0.842 974 HB2 SER 80 2HB SER 80 8.034 15.445 -1.141 975 HB3 SER 80 1HB SER 80 8.377 14.666 0.400 976 HG SER 80 HG SER 80 8.910 13.384 -1.464 977 H ASN 81 H ASN 81 4.079 14.198 -1.184 978 HA ASN 81 HA ASN 81 4.162 16.158 -3.290 979 HB2 ASN 81 2HB ASN 81 3.111 14.019 -3.750 980 HB3 ASN 81 1HB ASN 81 2.000 14.228 -2.401 981 HD21 ASN 81 1HD2 ASN 81 0.252 13.937 -3.808 982 HD22 ASN 81 2HD2 ASN 81 -0.270 15.190 -4.880 983 H GLU 82 H GLU 82 4.130 18.171 -2.447 984 HA GLU 82 HA GLU 82 2.655 19.007 -0.209 985 HB2 GLU 82 2HB GLU 82 3.139 21.318 -1.053 986 HB3 GLU 82 1HB GLU 82 4.550 20.284 -0.896 987 HG2 GLU 82 2HG GLU 82 3.144 20.575 -3.524 988 HG3 GLU 82 1HG GLU 82 4.317 21.773 -2.982 989 H SER 83 H SER 83 1.651 18.519 -3.459 990 HA SER 83 HA SER 83 -0.519 20.342 -3.473 991 HB2 SER 83 2HB SER 83 -0.588 17.837 -5.102 992 HB3 SER 83 1HB SER 83 -1.022 19.485 -5.558 993 HG SER 83 HG SER 83 1.491 18.249 -5.477 994 H THR 84 H THR 84 -0.551 16.764 -3.190 995 HA THR 84 HA THR 84 -2.940 17.042 -1.503 996 HB THR 84 HB THR 84 -3.564 14.760 -2.749 997 HG1 THR 84 1HG THR 84 -2.430 14.516 -4.518 998 HG21 THR 84 1HG2 THR 84 -4.119 17.538 -3.797 999 HG22 THR 84 2HG2 THR 84 -5.036 16.686 -2.555 1000 HG23 THR 84 3HG2 THR 84 -5.038 16.092 -4.216 1001 H ALA 85 H ALA 85 -0.366 16.613 -0.473 1002 HA ALA 85 HA ALA 85 0.543 14.042 -0.104 1003 HB1 ALA 85 1HB ALA 85 1.579 14.792 1.933 1004 HB2 ALA 85 2HB ALA 85 0.465 16.154 2.044 1005 HB3 ALA 85 3HB ALA 85 1.651 16.088 0.740 1006 H VAL 86 H VAL 86 -2.089 15.636 1.570 1007 HA VAL 86 HA VAL 86 -2.453 13.592 3.536 1008 HB VAL 86 HB VAL 86 -4.281 15.806 2.613 1009 HG11 VAL 86 1HG1 VAL 86 -5.595 13.992 3.594 1010 HG12 VAL 86 2HG1 VAL 86 -5.575 15.400 4.656 1011 HG13 VAL 86 3HG1 VAL 86 -4.556 14.007 5.019 1012 HG21 VAL 86 1HG2 VAL 86 -2.561 15.580 5.059 1013 HG22 VAL 86 2HG2 VAL 86 -3.659 16.909 4.684 1014 HG23 VAL 86 3HG2 VAL 86 -2.255 16.606 3.658 1015 H LYS 87 H LYS 87 -3.998 14.435 0.487 1016 HA LYS 87 HA LYS 87 -6.003 12.458 0.576 1017 HB2 LYS 87 2HB LYS 87 -6.475 14.243 -0.828 1018 HB3 LYS 87 1HB LYS 87 -4.874 14.240 -1.545 1019 HG2 LYS 87 2HG LYS 87 -6.475 11.828 -2.048 1020 HG3 LYS 87 1HG LYS 87 -7.090 13.320 -2.766 1021 HD2 LYS 87 2HD LYS 87 -4.913 13.727 -3.793 1022 HD3 LYS 87 1HD LYS 87 -4.291 12.244 -3.067 1023 HE2 LYS 87 2HE LYS 87 -6.020 10.968 -4.320 1024 HE3 LYS 87 1HE LYS 87 -6.493 12.464 -5.122 1025 HZ1 LYS 87 1HZ LYS 87 -4.962 11.143 -6.468 1026 HZ2 LYS 87 2HZ LYS 87 -3.787 11.229 -5.249 1027 HZ3 LYS 87 3HZ LYS 87 -4.278 12.633 -6.054 1028 H GLU 88 H GLU 88 -2.745 12.462 -0.917 1029 HA GLU 88 HA GLU 88 -3.100 9.924 -2.164 1030 HB2 GLU 88 2HB GLU 88 -0.390 10.904 -1.301 1031 HB3 GLU 88 1HB GLU 88 -0.820 9.948 -2.702 1032 HG2 GLU 88 2HG GLU 88 -1.504 12.850 -2.331 1033 HG3 GLU 88 1HG GLU 88 -0.130 12.239 -3.248 1034 H ARG 89 H ARG 89 -1.865 10.958 0.969 1035 HA ARG 89 HA ARG 89 -0.891 8.483 1.852 1036 HB2 ARG 89 2HB ARG 89 -0.399 10.530 3.068 1037 HB3 ARG 89 1HB ARG 89 -2.103 10.757 3.436 1038 HG2 ARG 89 2HG ARG 89 -0.982 8.193 4.327 1039 HG3 ARG 89 1HG ARG 89 -0.303 9.621 5.109 1040 HD2 ARG 89 2HD ARG 89 -3.129 9.930 4.966 1041 HD3 ARG 89 1HD ARG 89 -2.779 8.332 5.622 1042 HE ARG 89 HE ARG 89 -1.179 9.763 7.124 1043 HH11 ARG 89 1HH1 ARG 89 -4.470 10.546 6.132 1044 HH12 ARG 89 2HH1 ARG 89 -4.761 11.543 7.543 1045 HH21 ARG 89 1HH2 ARG 89 -1.613 11.082 8.958 1046 HH22 ARG 89 2HH2 ARG 89 -3.187 11.817 9.118 1047 H ASP 90 H ASP 90 -4.069 9.982 2.145 1048 HA ASP 90 HA ASP 90 -5.227 7.836 3.576 1049 HB2 ASP 90 2HB ASP 90 -6.236 10.292 2.256 1050 HB3 ASP 90 1HB ASP 90 -7.400 8.997 2.540 1051 H ALA 91 H ALA 91 -4.867 8.511 0.148 1052 HA ALA 91 HA ALA 91 -6.671 6.581 -0.800 1053 HB1 ALA 91 1HB ALA 91 -5.410 6.680 -2.897 1054 HB2 ALA 91 2HB ALA 91 -4.111 7.547 -2.078 1055 HB3 ALA 91 3HB ALA 91 -5.698 8.297 -2.253 1056 H VAL 92 H VAL 92 -3.249 6.441 0.051 1057 HA VAL 92 HA VAL 92 -2.927 3.666 -0.558 1058 HB VAL 92 HB VAL 92 -1.264 5.478 1.212 1059 HG11 VAL 92 1HG1 VAL 92 -0.636 2.754 0.085 1060 HG12 VAL 92 2HG1 VAL 92 -0.865 3.165 1.785 1061 HG13 VAL 92 3HG1 VAL 92 0.520 3.807 0.901 1062 HG21 VAL 92 1HG2 VAL 92 -0.880 4.648 -1.659 1063 HG22 VAL 92 2HG2 VAL 92 0.253 5.603 -0.705 1064 HG23 VAL 92 3HG2 VAL 92 -1.342 6.251 -1.089 1065 H LYS 93 H LYS 93 -3.650 5.546 2.301 1066 HA LYS 93 HA LYS 93 -3.387 3.560 4.257 1067 HB2 LYS 93 2HB LYS 93 -3.537 6.005 4.670 1068 HB3 LYS 93 1HB LYS 93 -5.237 5.952 4.230 1069 HG2 LYS 93 2HG LYS 93 -4.692 4.008 6.260 1070 HG3 LYS 93 1HG LYS 93 -4.102 5.595 6.758 1071 HD2 LYS 93 2HD LYS 93 -6.887 5.006 5.755 1072 HD3 LYS 93 1HD LYS 93 -6.432 5.200 7.449 1073 HE2 LYS 93 2HE LYS 93 -6.210 7.443 7.278 1074 HE3 LYS 93 1HE LYS 93 -5.649 7.370 5.607 1075 HZ1 LYS 93 1HZ LYS 93 -8.051 6.720 5.064 1076 HZ2 LYS 93 2HZ LYS 93 -7.749 8.346 5.472 1077 HZ3 LYS 93 3HZ LYS 93 -8.427 7.297 6.614 1078 H ASP 94 H ASP 94 -6.311 4.793 2.659 1079 HA ASP 94 HA ASP 94 -8.056 2.906 3.823 1080 HB2 ASP 94 2HB ASP 94 -8.216 4.937 1.668 1081 HB3 ASP 94 1HB ASP 94 -9.428 3.662 1.651 1082 H LEU 95 H LEU 95 -6.233 2.902 0.834 1083 HA LEU 95 HA LEU 95 -7.539 0.571 -0.215 1084 HB2 LEU 95 2HB LEU 95 -6.264 2.342 -1.560 1085 HB3 LEU 95 1HB LEU 95 -4.799 1.542 -1.021 1086 HG LEU 95 HG LEU 95 -5.475 -0.521 -2.126 1087 HD11 LEU 95 1HD1 LEU 95 -7.466 -0.582 -3.552 1088 HD12 LEU 95 2HD1 LEU 95 -7.919 1.024 -2.982 1089 HD13 LEU 95 3HD1 LEU 95 -7.882 -0.333 -1.857 1090 HD21 LEU 95 1HD2 LEU 95 -5.330 0.235 -4.446 1091 HD22 LEU 95 2HD2 LEU 95 -4.202 1.111 -3.412 1092 HD23 LEU 95 3HD2 LEU 95 -5.700 1.882 -3.934 1093 H LEU 96 H LEU 96 -4.848 1.191 1.920 1094 HA LEU 96 HA LEU 96 -3.771 -1.433 1.748 1095 HB2 LEU 96 2HB LEU 96 -3.407 0.877 3.567 1096 HB3 LEU 96 1HB LEU 96 -2.962 -0.707 4.180 1097 HG LEU 96 HG LEU 96 -1.881 0.577 1.671 1098 HD11 LEU 96 1HD1 LEU 96 -1.025 1.673 3.627 1099 HD12 LEU 96 2HD1 LEU 96 0.234 0.636 2.954 1100 HD13 LEU 96 3HD1 LEU 96 -0.662 0.123 4.384 1101 HD21 LEU 96 1HD2 LEU 96 -0.341 -1.303 1.601 1102 HD22 LEU 96 2HD2 LEU 96 -2.011 -1.861 1.500 1103 HD23 LEU 96 3HD2 LEU 96 -1.121 -2.011 3.016 1104 H GLN 97 H GLN 97 -5.870 0.129 4.271 1105 HA GLN 97 HA GLN 97 -6.461 -2.224 5.623 1106 HB2 GLN 97 2HB GLN 97 -8.781 -0.948 5.938 1107 HB3 GLN 97 1HB GLN 97 -7.313 -0.451 6.768 1108 HG2 GLN 97 2HG GLN 97 -7.031 0.999 4.588 1109 HG3 GLN 97 1HG GLN 97 -8.783 0.817 4.547 1110 HE21 GLN 97 1HE2 GLN 97 -7.193 0.766 7.568 1111 HE22 GLN 97 2HE2 GLN 97 -7.646 2.355 8.075 1112 H GLN 98 H GLN 98 -7.311 -1.317 2.472 1113 HA GLN 98 HA GLN 98 -9.540 -3.140 2.226 1114 HB2 GLN 98 2HB GLN 98 -8.163 -1.161 0.500 1115 HB3 GLN 98 1HB GLN 98 -8.970 -2.489 -0.317 1116 HG2 GLN 98 2HG GLN 98 -10.354 -0.822 1.747 1117 HG3 GLN 98 1HG GLN 98 -10.293 -0.359 0.044 1118 HE21 GLN 98 1HE2 GLN 98 -11.382 -2.768 2.307 1119 HE22 GLN 98 2HE2 GLN 98 -12.583 -3.469 1.287 1120 H LEU 99 H LEU 99 -6.202 -2.967 0.991 1121 HA LEU 99 HA LEU 99 -6.420 -5.603 -0.193 1122 HB2 LEU 99 2HB LEU 99 -4.357 -3.447 -0.192 1123 HB3 LEU 99 1HB LEU 99 -3.939 -5.063 -0.731 1124 HG LEU 99 HG LEU 99 -6.234 -3.506 -1.901 1125 HD11 LEU 99 1HD1 LEU 99 -4.700 -3.034 -3.792 1126 HD12 LEU 99 2HD1 LEU 99 -3.365 -3.635 -2.809 1127 HD13 LEU 99 3HD1 LEU 99 -4.259 -2.202 -2.302 1128 HD21 LEU 99 1HD2 LEU 99 -5.924 -5.084 -3.763 1129 HD22 LEU 99 2HD2 LEU 99 -6.342 -5.890 -2.251 1130 HD23 LEU 99 3HD2 LEU 99 -4.676 -5.908 -2.829 1131 H LEU 100 H LEU 100 -4.932 -4.213 2.665 1132 HA LEU 100 HA LEU 100 -3.068 -6.221 3.199 1133 HB2 LEU 100 2HB LEU 100 -4.503 -4.243 4.924 1134 HB3 LEU 100 1HB LEU 100 -3.516 -5.486 5.670 1135 HG LEU 100 HG LEU 100 -2.455 -3.596 3.570 1136 HD11 LEU 100 1HD1 LEU 100 -1.436 -2.308 5.368 1137 HD12 LEU 100 2HD1 LEU 100 -2.222 -3.329 6.572 1138 HD13 LEU 100 3HD1 LEU 100 -3.194 -2.296 5.524 1139 HD21 LEU 100 1HD2 LEU 100 -1.192 -5.638 3.806 1140 HD22 LEU 100 2HD2 LEU 100 -1.119 -5.426 5.556 1141 HD23 LEU 100 3HD2 LEU 100 -0.282 -4.292 4.494 1142 HA PRO 101 HA PRO 101 -6.429 -8.600 5.737 1143 HB2 PRO 101 2HB PRO 101 -9.034 -8.046 5.272 1144 HB3 PRO 101 1HB PRO 101 -8.090 -7.201 6.506 1145 HG2 PRO 101 2HG PRO 101 -8.757 -6.339 3.716 1146 HG3 PRO 101 1HG PRO 101 -8.839 -5.406 5.223 1147 HD2 PRO 101 2HD PRO 101 -6.771 -5.176 3.511 1148 HD3 PRO 101 1HD PRO 101 -6.557 -5.038 5.268 1149 H LYS 102 H LYS 102 -6.417 -7.837 2.451 1150 HA LYS 102 HA LYS 102 -8.133 -9.917 1.498 1151 HB2 LYS 102 2HB LYS 102 -7.676 -8.039 0.046 1152 HB3 LYS 102 1HB LYS 102 -5.945 -8.308 0.160 1153 HG2 LYS 102 2HG LYS 102 -6.470 -10.601 -0.912 1154 HG3 LYS 102 1HG LYS 102 -7.996 -9.844 -1.375 1155 HD2 LYS 102 2HD LYS 102 -6.977 -8.353 -2.800 1156 HD3 LYS 102 1HD LYS 102 -5.444 -8.402 -1.927 1157 HE2 LYS 102 2HE LYS 102 -5.186 -10.769 -2.740 1158 HE3 LYS 102 1HE LYS 102 -6.580 -10.485 -3.780 1159 HZ1 LYS 102 1HZ LYS 102 -4.353 -8.583 -3.906 1160 HZ2 LYS 102 2HZ LYS 102 -5.399 -9.100 -5.128 1161 HZ3 LYS 102 3HZ LYS 102 -4.133 -10.103 -4.622 1162 H PHE 103 H PHE 103 -4.969 -9.716 2.740 1163 HA PHE 103 HA PHE 103 -4.291 -12.385 1.725 1164 HB2 PHE 103 2HB PHE 103 -2.589 -10.115 2.755 1165 HB3 PHE 103 1HB PHE 103 -1.958 -11.754 2.586 1166 HD1 PHE 103 1HD PHE 103 -1.102 -12.453 0.547 1167 HD2 PHE 103 2HD PHE 103 -3.674 -9.069 0.689 1168 HE1 PHE 103 1HE PHE 103 -0.672 -12.024 -1.837 1169 HE2 PHE 103 2HE PHE 103 -3.248 -8.634 -1.690 1170 HZ PHE 103 HZ PHE 103 -1.747 -10.115 -2.955 1171 H LYS 104 H LYS 104 -5.653 -10.953 4.345 1172 HA LYS 104 HA LYS 104 -4.927 -13.218 6.069 1173 HB2 LYS 104 2HB LYS 104 -5.425 -10.566 7.354 1174 HB3 LYS 104 1HB LYS 104 -4.478 -11.925 7.937 1175 HG2 LYS 104 2HG LYS 104 -2.603 -11.300 6.755 1176 HG3 LYS 104 1HG LYS 104 -3.531 -10.366 5.578 1177 HD2 LYS 104 2HD LYS 104 -4.129 -8.855 7.574 1178 HD3 LYS 104 1HD LYS 104 -2.776 -9.641 8.388 1179 HE2 LYS 104 2HE LYS 104 -1.245 -8.890 6.714 1180 HE3 LYS 104 1HE LYS 104 -2.562 -8.294 5.704 1181 HZ1 LYS 104 1HZ LYS 104 -1.479 -6.496 6.882 1182 HZ2 LYS 104 2HZ LYS 104 -1.807 -7.224 8.368 1183 HZ3 LYS 104 3HZ LYS 104 -3.084 -6.655 7.406 1184 H ARG 105 H ARG 105 -6.812 -14.294 6.247 1185 HA ARG 105 HA ARG 105 -9.274 -12.705 6.392 1186 HB2 ARG 105 2HB ARG 105 -8.636 -15.356 5.224 1187 HB3 ARG 105 1HB ARG 105 -10.228 -15.163 5.943 1188 HG2 ARG 105 2HG ARG 105 -9.130 -13.254 3.899 1189 HG3 ARG 105 1HG ARG 105 -10.049 -14.698 3.469 1190 HD2 ARG 105 2HD ARG 105 -11.041 -12.516 5.301 1191 HD3 ARG 105 1HD ARG 105 -11.429 -12.633 3.583 1192 HE ARG 105 HE ARG 105 -12.221 -15.021 4.453 1193 HH11 ARG 105 1HH1 ARG 105 -12.813 -11.804 5.734 1194 HH12 ARG 105 2HH1 ARG 105 -14.317 -12.269 6.493 1195 HH21 ARG 105 1HH2 ARG 105 -14.223 -15.588 5.422 1196 HH22 ARG 105 2HH2 ARG 105 -15.129 -14.385 6.297 1197 H LYS 106 H LYS 106 -10.712 -12.965 7.985 1198 HA LYS 106 HA LYS 106 -9.772 -14.340 10.384 1199 HB2 LYS 106 2HB LYS 106 -11.727 -13.037 11.420 1200 HB3 LYS 106 1HB LYS 106 -10.350 -12.102 10.854 1201 HG2 LYS 106 2HG LYS 106 -11.543 -11.516 8.826 1202 HG3 LYS 106 1HG LYS 106 -12.911 -12.513 9.321 1203 HD2 LYS 106 2HD LYS 106 -13.524 -11.048 11.019 1204 HD3 LYS 106 1HD LYS 106 -11.926 -10.302 11.084 1205 HE2 LYS 106 2HE LYS 106 -13.438 -8.746 10.071 1206 HE3 LYS 106 1HE LYS 106 -12.350 -9.349 8.824 1207 HZ1 LYS 106 1HZ LYS 106 -14.305 -9.562 7.733 1208 HZ2 LYS 106 2HZ LYS 106 -15.220 -9.775 9.148 1209 HZ3 LYS 106 3HZ LYS 106 -14.324 -11.067 8.523 1210 H ALA 107 H ALA 107 -11.821 -15.090 11.769 1211 HA ALA 107 HA ALA 107 -13.066 -17.194 10.218 1212 HB1 ALA 107 1HB ALA 107 -12.171 -17.725 12.418 1213 HB2 ALA 107 2HB ALA 107 -13.917 -17.974 12.395 1214 HB3 ALA 107 3HB ALA 107 -13.243 -16.535 13.161 1215 H ASN 108 H ASN 108 -13.853 -14.675 9.426 1216 HA ASN 108 HA ASN 108 -16.693 -14.846 9.616 1217 HB2 ASN 108 2HB ASN 108 -16.569 -13.608 11.617 1218 HB3 ASN 108 1HB ASN 108 -15.212 -12.646 11.047 1219 HD21 ASN 108 1HD2 ASN 108 -18.631 -13.284 10.407 1220 HD22 ASN 108 2HD2 ASN 108 -19.018 -11.673 9.920 Start of MODEL 4 1 H ARG 390 2HT ARG 390 39.169 23.016 11.379 2 HA ARG 390 HA ARG 390 36.812 22.814 11.265 3 HB2 ARG 390 2HB ARG 390 36.434 24.765 9.797 4 HB3 ARG 390 1HB ARG 390 37.134 23.885 8.447 5 HG2 ARG 390 2HG ARG 390 35.318 22.262 8.551 6 HG3 ARG 390 1HG ARG 390 34.618 23.128 9.921 7 HD2 ARG 390 2HD ARG 390 34.121 25.021 8.591 8 HD3 ARG 390 1HD ARG 390 35.124 24.440 7.262 9 HE ARG 390 HE ARG 390 33.356 22.504 7.318 10 HH11 ARG 390 1HH1 ARG 390 32.783 25.943 7.688 11 HH12 ARG 390 2HH1 ARG 390 31.185 25.875 7.028 12 HH21 ARG 390 1HH2 ARG 390 31.264 22.407 6.455 13 HH22 ARG 390 2HH2 ARG 390 30.314 23.851 6.319 14 H ARG 391 H ARG 391 36.015 20.776 10.723 15 HA ARG 391 HA ARG 391 37.878 19.118 9.180 16 HB2 ARG 391 2HB ARG 391 37.463 18.361 11.466 17 HB3 ARG 391 1HB ARG 391 35.734 18.313 11.156 18 HG2 ARG 391 2HG ARG 391 36.804 16.088 11.121 19 HG3 ARG 391 1HG ARG 391 35.999 16.499 9.606 20 HD2 ARG 391 2HD ARG 391 38.827 17.270 9.719 21 HD3 ARG 391 1HD ARG 391 38.546 15.533 9.834 22 HE ARG 391 HE ARG 391 37.019 16.178 7.736 23 HH11 ARG 391 1HH1 ARG 391 40.326 17.044 8.490 24 HH12 ARG 391 2HH1 ARG 391 40.807 17.150 6.831 25 HH21 ARG 391 1HH2 ARG 391 37.631 16.305 5.564 26 HH22 ARG 391 2HH2 ARG 391 39.269 16.733 5.158 27 H ARG 392 H ARG 392 34.344 19.095 9.755 28 HA ARG 392 HA ARG 392 33.798 17.808 7.295 29 HB2 ARG 392 2HB ARG 392 32.115 19.161 9.367 30 HB3 ARG 392 1HB ARG 392 31.399 18.718 7.825 31 HG2 ARG 392 2HG ARG 392 32.834 16.772 9.614 32 HG3 ARG 392 1HG ARG 392 31.093 17.050 9.657 33 HD2 ARG 392 2HD ARG 392 31.234 15.225 8.258 34 HD3 ARG 392 1HD ARG 392 31.228 16.555 7.103 35 HE ARG 392 HE ARG 392 33.579 16.238 6.776 36 HH11 ARG 392 1HH1 ARG 392 31.979 13.739 8.641 37 HH12 ARG 392 2HH1 ARG 392 33.241 12.575 8.417 38 HH21 ARG 392 1HH2 ARG 392 35.250 14.706 6.460 39 HH22 ARG 392 2HH2 ARG 392 35.106 13.124 7.170 40 H THR 393 H THR 393 34.701 18.894 5.640 41 HA THR 393 HA THR 393 33.301 21.314 4.764 42 HB THR 393 HB THR 393 36.205 21.272 4.177 43 HG1 THR 393 1HG THR 393 36.152 20.686 6.410 44 HG21 THR 393 1HG2 THR 393 35.982 23.667 4.488 45 HG22 THR 393 2HG2 THR 393 34.360 23.460 5.147 46 HG23 THR 393 3HG2 THR 393 34.678 23.083 3.454 47 H GLU 394 H GLU 394 33.985 18.257 4.243 48 HA GLU 394 HA GLU 394 34.435 18.511 1.350 49 HB2 GLU 394 2HB GLU 394 35.202 16.205 1.394 50 HB3 GLU 394 1HB GLU 394 36.096 17.145 2.578 51 HG2 GLU 394 2HG GLU 394 33.697 15.534 3.364 52 HG3 GLU 394 1HG GLU 394 35.289 14.797 3.215 53 H ALA 395 H ALA 395 33.427 16.134 0.468 54 HA ALA 395 HA ALA 395 30.577 16.618 0.693 55 HB1 ALA 395 1HB ALA 395 30.395 14.986 -1.149 56 HB2 ALA 395 2HB ALA 395 32.140 14.740 -1.070 57 HB3 ALA 395 3HB ALA 395 31.491 16.319 -1.516 58 H LEU 396 H LEU 396 32.149 15.344 2.905 59 HA LEU 396 HA LEU 396 30.794 12.740 3.039 60 HB2 LEU 396 2HB LEU 396 33.131 13.852 4.595 61 HB3 LEU 396 1HB LEU 396 32.336 12.341 4.995 62 HG LEU 396 HG LEU 396 33.732 12.916 2.379 63 HD11 LEU 396 1HD1 LEU 396 34.608 11.257 4.739 64 HD12 LEU 396 2HD1 LEU 396 35.309 12.794 4.231 65 HD13 LEU 396 3HD1 LEU 396 35.445 11.377 3.192 66 HD21 LEU 396 1HD2 LEU 396 31.890 11.310 2.186 67 HD22 LEU 396 2HD2 LEU 396 32.595 10.353 3.489 68 HD23 LEU 396 3HD2 LEU 396 33.460 10.535 1.962 69 H GLY 397 H GLY 397 29.190 14.900 3.303 70 HA2 GLY 397 2HA GLY 397 28.437 14.742 6.131 71 HA3 GLY 397 1HA GLY 397 28.576 16.323 5.372 72 H ASP 398 H ASP 398 26.205 15.440 6.511 73 HA ASP 398 HA ASP 398 24.520 14.882 4.167 74 HB2 ASP 398 2HB ASP 398 24.588 13.345 6.335 75 HB3 ASP 398 1HB ASP 398 23.477 14.565 6.949 76 H ALA 399 H ALA 399 22.183 15.791 4.637 77 HA ALA 399 HA ALA 399 22.538 18.584 5.475 78 HB1 ALA 399 1HB ALA 399 20.652 17.554 3.374 79 HB2 ALA 399 2HB ALA 399 22.212 18.308 3.046 80 HB3 ALA 399 3HB ALA 399 20.922 19.243 3.804 81 H GLU 400 H GLU 400 21.042 15.768 6.164 82 HA GLU 400 HA GLU 400 19.531 16.743 8.303 83 HB2 GLU 400 2HB GLU 400 17.224 16.218 7.451 84 HB3 GLU 400 1HB GLU 400 17.955 17.651 6.744 85 HG2 GLU 400 2HG GLU 400 17.834 16.815 4.691 86 HG3 GLU 400 1HG GLU 400 18.514 15.268 5.193 87 H GLU 401 H GLU 401 17.434 14.820 8.220 88 HA GLU 401 HA GLU 401 17.875 12.236 7.627 89 HB2 GLU 401 2HB GLU 401 20.056 12.532 8.958 90 HB3 GLU 401 1HB GLU 401 19.040 12.612 10.389 91 HG2 GLU 401 2HG GLU 401 20.126 10.346 9.485 92 HG3 GLU 401 1HG GLU 401 18.605 10.400 10.372 93 H ASP 402 H ASP 402 15.704 13.647 7.812 94 HA ASP 402 HA ASP 402 14.308 12.479 10.109 95 HB2 ASP 402 2HB ASP 402 14.404 14.570 11.016 96 HB3 ASP 402 1HB ASP 402 14.563 15.360 9.455 97 H GLU 403 H GLU 403 12.422 11.613 9.636 98 HA GLU 403 HA GLU 403 11.041 12.355 7.174 99 HB2 GLU 403 2HB GLU 403 12.671 10.273 6.997 100 HB3 GLU 403 1HB GLU 403 11.340 9.445 7.793 101 HG2 GLU 403 2HG GLU 403 10.934 9.066 5.551 102 HG3 GLU 403 1HG GLU 403 9.885 10.435 5.916 103 H ASP 404 H ASP 404 10.518 12.889 9.981 104 HA ASP 404 HA ASP 404 8.898 12.729 11.568 105 HB2 ASP 404 2HB ASP 404 7.558 12.526 8.935 106 HB3 ASP 404 1HB ASP 404 6.591 12.013 10.313 107 H ASP 405 H ASP 405 10.482 10.442 11.119 108 HA ASP 405 HA ASP 405 9.404 7.993 10.752 109 HB2 ASP 405 2HB ASP 405 11.436 8.648 12.893 110 HB3 ASP 405 1HB ASP 405 11.213 7.095 12.094 111 H GLU 406 H GLU 406 8.853 9.911 13.609 112 HA GLU 406 HA GLU 406 7.476 7.617 14.788 113 HB2 GLU 406 2HB GLU 406 9.240 8.469 16.231 114 HB3 GLU 406 1HB GLU 406 8.629 10.107 16.073 115 HG2 GLU 406 2HG GLU 406 8.049 9.226 18.227 116 HG3 GLU 406 1HG GLU 406 6.590 9.446 17.263 117 H ASP 407 H ASP 407 5.496 8.210 16.032 118 HA ASP 407 HA ASP 407 3.508 9.173 16.279 119 HB2 ASP 407 2HB ASP 407 4.716 11.344 16.361 120 HB3 ASP 407 1HB ASP 407 4.359 11.514 14.646 121 H PHE 408 H PHE 408 3.426 7.229 14.773 122 HA PHE 408 HA PHE 408 1.758 8.033 12.473 123 HB2 PHE 408 2HB PHE 408 3.480 5.556 12.823 124 HB3 PHE 408 1HB PHE 408 2.224 5.676 11.615 125 HD1 PHE 408 1HD PHE 408 5.307 7.436 12.760 126 HD2 PHE 408 2HD PHE 408 2.747 6.413 9.527 127 HE1 PHE 408 1HE PHE 408 6.875 8.452 11.184 128 HE2 PHE 408 2HE PHE 408 4.313 7.437 7.949 129 HZ PHE 408 HZ PHE 408 6.377 8.467 8.786 130 H VAL 409 H VAL 409 -0.251 7.492 12.588 131 HA VAL 409 HA VAL 409 -1.172 6.089 14.928 132 HB VAL 409 HB VAL 409 -3.440 6.837 13.992 133 HG11 VAL 409 1HG1 VAL 409 -1.241 8.780 14.545 134 HG12 VAL 409 2HG1 VAL 409 -2.196 7.919 15.756 135 HG13 VAL 409 3HG1 VAL 409 -2.963 9.118 14.710 136 HG21 VAL 409 1HG2 VAL 409 -2.761 7.183 11.687 137 HG22 VAL 409 2HG2 VAL 409 -1.654 8.447 12.219 138 HG23 VAL 409 3HG2 VAL 409 -3.394 8.654 12.422 139 H GLU 410 H GLU 410 -1.583 4.065 14.952 140 HA GLU 410 HA GLU 410 -1.051 2.441 12.767 141 HB2 GLU 410 2HB GLU 410 -0.998 1.902 15.290 142 HB3 GLU 410 1HB GLU 410 -2.704 1.521 15.103 143 HG2 GLU 410 2HG GLU 410 -2.289 -0.399 14.006 144 HG3 GLU 410 1HG GLU 410 -0.901 0.268 13.150 145 H VAL 411 H VAL 411 -2.113 2.149 11.079 146 HA VAL 411 HA VAL 411 -4.930 2.732 10.862 147 HB VAL 411 HB VAL 411 -3.095 1.753 8.650 148 HG11 VAL 411 1HG1 VAL 411 -5.594 3.438 8.655 149 HG12 VAL 411 2HG1 VAL 411 -5.514 1.727 8.233 150 HG13 VAL 411 3HG1 VAL 411 -4.683 2.921 7.236 151 HG21 VAL 411 1HG2 VAL 411 -2.700 4.044 8.089 152 HG22 VAL 411 2HG2 VAL 411 -2.054 3.636 9.679 153 HG23 VAL 411 3HG2 VAL 411 -3.552 4.559 9.545 154 HA PRO 412 HA PRO 412 -5.734 -1.646 11.470 155 HB2 PRO 412 2HB PRO 412 -8.392 -1.448 11.672 156 HB3 PRO 412 1HB PRO 412 -7.339 -0.840 12.957 157 HG2 PRO 412 2HG PRO 412 -8.673 0.675 10.734 158 HG3 PRO 412 1HG PRO 412 -8.600 1.073 12.462 159 HD2 PRO 412 2HD PRO 412 -6.939 2.178 10.615 160 HD3 PRO 412 1HD PRO 412 -6.462 1.911 12.304 161 H GLU 413 H GLU 413 -7.256 -3.234 10.394 162 HA GLU 413 HA GLU 413 -7.315 -2.677 7.528 163 HB2 GLU 413 2HB GLU 413 -7.639 -5.288 9.025 164 HB3 GLU 413 1HB GLU 413 -7.544 -5.110 7.275 165 HG2 GLU 413 2HG GLU 413 -5.291 -4.337 7.402 166 HG3 GLU 413 1HG GLU 413 -5.368 -4.246 9.159 167 H LYS 414 H LYS 414 -9.226 -3.124 6.280 168 HA LYS 414 HA LYS 414 -11.661 -2.958 7.909 169 HB2 LYS 414 2HB LYS 414 -10.889 -1.523 5.424 170 HB3 LYS 414 1HB LYS 414 -12.590 -1.827 5.757 171 HG2 LYS 414 2HG LYS 414 -12.675 -0.192 7.255 172 HG3 LYS 414 1HG LYS 414 -11.224 -0.776 8.078 173 HD2 LYS 414 2HD LYS 414 -10.648 1.362 7.317 174 HD3 LYS 414 1HD LYS 414 -9.925 0.259 6.146 175 HE2 LYS 414 2HE LYS 414 -12.113 0.577 4.831 176 HE3 LYS 414 1HE LYS 414 -12.344 1.997 5.851 177 HZ1 LYS 414 1HZ LYS 414 -11.224 2.884 4.067 178 HZ2 LYS 414 2HZ LYS 414 -10.300 1.486 3.808 179 HZ3 LYS 414 3HZ LYS 414 -9.927 2.521 5.095 180 H GLU 415 H GLU 415 -10.370 -4.116 4.833 181 HA GLU 415 HA GLU 415 -10.897 -5.873 3.513 182 HB2 GLU 415 2HB GLU 415 -10.745 -7.179 5.590 183 HB3 GLU 415 1HB GLU 415 -12.445 -6.866 5.911 184 HG2 GLU 415 2HG GLU 415 -11.775 -9.126 4.902 185 HG3 GLU 415 1HG GLU 415 -13.161 -8.274 4.218 186 H GLY 416 H GLY 416 -13.919 -5.587 5.361 187 HA2 GLY 416 2HA GLY 416 -15.434 -5.665 2.876 188 HA3 GLY 416 1HA GLY 416 -16.091 -5.754 4.503 189 H TYR 417 H TYR 417 -14.341 -3.467 2.435 190 HA TYR 417 HA TYR 417 -16.383 -1.457 2.903 191 HB2 TYR 417 2HB TYR 417 -15.097 -0.778 4.709 192 HB3 TYR 417 1HB TYR 417 -13.596 -1.323 3.981 193 HD1 TYR 417 1HD TYR 417 -15.663 1.494 4.693 194 HD2 TYR 417 2HD TYR 417 -12.659 0.086 2.034 195 HE1 TYR 417 1HE TYR 417 -15.079 3.811 4.122 196 HE2 TYR 417 2HE TYR 417 -12.073 2.391 1.449 197 HH TYR 417 HH TYR 417 -12.372 4.773 2.847 198 H GLU 418 H GLU 418 -16.571 -0.042 1.211 199 HA GLU 418 HA GLU 418 -14.587 -0.336 -0.949 200 HB2 GLU 418 2HB GLU 418 -16.904 0.628 -2.147 201 HB3 GLU 418 1HB GLU 418 -16.289 -1.013 -2.242 202 HG2 GLU 418 2HG GLU 418 -18.565 -1.163 -1.645 203 HG3 GLU 418 1HG GLU 418 -17.636 -1.538 -0.197 204 HA PRO 419 HA PRO 419 -13.999 4.033 -0.564 205 HB2 PRO 419 2HB PRO 419 -13.244 4.211 -3.370 206 HB3 PRO 419 1HB PRO 419 -12.218 4.323 -1.940 207 HG2 PRO 419 2HG PRO 419 -12.119 2.230 -3.670 208 HG3 PRO 419 1HG PRO 419 -11.739 2.080 -1.945 209 HD2 PRO 419 2HD PRO 419 -14.258 1.362 -3.401 210 HD3 PRO 419 1HD PRO 419 -13.410 0.479 -2.113 211 H HIS 420 H HIS 420 -16.574 3.743 -0.671 212 HA HIS 420 HA HIS 420 -17.494 5.803 -2.507 213 HB2 HIS 420 2HB HIS 420 -18.276 4.212 -3.928 214 HB3 HIS 420 1HB HIS 420 -18.161 2.944 -2.721 215 HD1 HIS 420 1HD HIS 420 -20.304 2.272 -1.507 216 HD2 HIS 420 2HD HIS 420 -20.752 5.609 -3.969 217 HE1 HIS 420 1HE HIS 420 -22.792 2.730 -1.665 218 H ILE 421 H ILE 421 -19.463 6.780 -1.823 219 HA ILE 421 HA ILE 421 -20.813 5.851 0.475 220 HB ILE 421 HB ILE 421 -18.498 7.196 1.108 221 HG12 ILE 421 2HG1 ILE 421 -20.689 7.364 3.057 222 HG13 ILE 421 1HG1 ILE 421 -20.482 5.784 2.306 223 HG21 ILE 421 1HG2 ILE 421 -19.441 9.345 0.404 224 HG22 ILE 421 2HG2 ILE 421 -19.187 9.297 2.149 225 HG23 ILE 421 3HG2 ILE 421 -20.810 9.100 1.488 226 HD11 ILE 421 1HD1 ILE 421 -18.160 5.731 3.019 227 HD12 ILE 421 2HD1 ILE 421 -19.237 5.961 4.396 228 HD13 ILE 421 3HD1 ILE 421 -18.333 7.328 3.743 229 HA PRO 422 HA PRO 422 -24.005 8.303 -1.264 230 HB2 PRO 422 2HB PRO 422 -25.556 8.529 0.977 231 HB3 PRO 422 1HB PRO 422 -25.473 7.065 -0.004 232 HG2 PRO 422 2HG PRO 422 -24.036 7.729 2.533 233 HG3 PRO 422 1HG PRO 422 -24.853 6.221 2.072 234 HD2 PRO 422 2HD PRO 422 -22.198 6.465 1.915 235 HD3 PRO 422 1HD PRO 422 -23.112 5.558 0.693 236 H ASP 423 H ASP 423 -23.318 10.397 -1.706 237 HA ASP 423 HA ASP 423 -22.648 12.197 0.435 238 HB2 ASP 423 2HB ASP 423 -21.498 12.523 -1.672 239 HB3 ASP 423 1HB ASP 423 -23.030 12.715 -2.523 240 H HIS 424 H HIS 424 -23.984 13.356 1.554 241 HA HIS 424 HA HIS 424 -26.444 14.374 0.435 242 HB2 HIS 424 2HB HIS 424 -27.857 13.432 2.233 243 HB3 HIS 424 1HB HIS 424 -27.162 12.171 1.224 244 HD1 HIS 424 1HD HIS 424 -24.831 11.077 2.393 245 HD2 HIS 424 2HD HIS 424 -27.621 12.946 4.841 246 HE1 HIS 424 1HE HIS 424 -24.382 10.258 4.742 247 H LEU 425 H LEU 425 -23.809 15.193 1.614 248 HA LEU 425 HA LEU 425 -24.882 17.010 3.666 249 HB2 LEU 425 2HB LEU 425 -22.152 15.716 3.650 250 HB3 LEU 425 1HB LEU 425 -22.699 16.911 4.811 251 HG LEU 425 HG LEU 425 -24.000 14.209 4.466 252 HD11 LEU 425 1HD1 LEU 425 -21.687 13.925 5.183 253 HD12 LEU 425 2HD1 LEU 425 -22.809 13.543 6.489 254 HD13 LEU 425 3HD1 LEU 425 -21.942 15.079 6.492 255 HD21 LEU 425 1HD2 LEU 425 -24.968 14.715 6.662 256 HD22 LEU 425 2HD2 LEU 425 -25.439 15.906 5.450 257 HD23 LEU 425 3HD2 LEU 425 -24.192 16.298 6.634 258 H ARG 426 H ARG 426 -24.382 17.194 0.737 259 HA ARG 426 HA ARG 426 -22.183 19.021 0.448 260 HB2 ARG 426 2HB ARG 426 -23.240 19.342 -1.881 261 HB3 ARG 426 1HB ARG 426 -22.555 17.774 -1.491 262 HG2 ARG 426 2HG ARG 426 -24.827 16.952 -0.965 263 HG3 ARG 426 1HG ARG 426 -25.475 18.513 -1.474 264 HD2 ARG 426 2HD ARG 426 -23.673 17.209 -3.401 265 HD3 ARG 426 1HD ARG 426 -25.189 16.363 -3.103 266 HE ARG 426 HE ARG 426 -26.373 18.148 -4.040 267 HH11 ARG 426 1HH1 ARG 426 -22.913 18.783 -4.021 268 HH12 ARG 426 2HH1 ARG 426 -23.036 20.145 -5.102 269 HH21 ARG 426 1HH2 ARG 426 -26.517 19.901 -5.467 270 HH22 ARG 426 2HH2 ARG 426 -25.073 20.779 -5.913 271 HA PRO 427 HA PRO 427 -24.721 22.500 1.694 272 HB2 PRO 427 2HB PRO 427 -22.728 24.283 1.910 273 HB3 PRO 427 1HB PRO 427 -22.937 22.986 3.091 274 HG2 PRO 427 2HG PRO 427 -21.020 23.179 0.805 275 HG3 PRO 427 1HG PRO 427 -20.747 22.568 2.446 276 HD2 PRO 427 2HD PRO 427 -21.219 20.973 0.248 277 HD3 PRO 427 1HD PRO 427 -21.534 20.488 1.925 278 H GLU 428 H GLU 428 -24.803 21.803 -0.998 279 HA GLU 428 HA GLU 428 -24.904 24.424 -2.249 280 HB2 GLU 428 2HB GLU 428 -22.697 23.649 -2.886 281 HB3 GLU 428 1HB GLU 428 -23.340 22.085 -3.363 282 HG2 GLU 428 2HG GLU 428 -24.635 24.221 -4.800 283 HG3 GLU 428 1HG GLU 428 -22.882 24.283 -4.992 284 H TYR 429 H TYR 429 -26.502 24.541 -3.839 285 HA TYR 429 HA TYR 429 -27.960 22.097 -4.497 286 HB2 TYR 429 2HB TYR 429 -28.923 23.394 -2.432 287 HB3 TYR 429 1HB TYR 429 -29.521 24.517 -3.646 288 HD1 TYR 429 1HD TYR 429 -31.646 24.170 -4.477 289 HD2 TYR 429 2HD TYR 429 -29.478 20.840 -2.953 290 HE1 TYR 429 1HE TYR 429 -33.613 22.736 -4.828 291 HE2 TYR 429 2HE TYR 429 -31.438 19.397 -3.301 292 HH TYR 429 HH TYR 429 -34.282 20.524 -5.017 293 H GLY 430 H GLY 430 -26.364 23.173 -6.269 294 HA2 GLY 430 2HA GLY 430 -28.026 24.950 -7.945 295 HA3 GLY 430 1HA GLY 430 -26.276 24.801 -8.061 296 H LEU 431 H LEU 431 -26.437 21.870 -7.765 297 HA LEU 431 HA LEU 431 -26.706 21.228 -10.541 298 HB2 LEU 431 2HB LEU 431 -26.277 19.424 -8.155 299 HB3 LEU 431 1HB LEU 431 -26.111 18.944 -9.833 300 HG LEU 431 HG LEU 431 -24.406 21.032 -8.474 301 HD11 LEU 431 1HD1 LEU 431 -24.022 18.793 -7.561 302 HD12 LEU 431 2HD1 LEU 431 -22.644 19.364 -8.501 303 HD13 LEU 431 3HD1 LEU 431 -23.753 18.179 -9.192 304 HD21 LEU 431 1HD2 LEU 431 -24.158 19.702 -11.168 305 HD22 LEU 431 2HD2 LEU 431 -23.016 20.851 -10.471 306 HD23 LEU 431 3HD2 LEU 431 -24.650 21.370 -10.883 307 H GLU 432 H GLU 432 -28.524 20.526 -7.598 308 HA GLU 432 HA GLU 432 -30.511 18.988 -9.017 309 HB2 GLU 432 2HB GLU 432 -30.627 20.050 -6.188 310 HB3 GLU 432 1HB GLU 432 -31.611 18.767 -6.874 311 HG2 GLU 432 2HG GLU 432 -30.111 17.476 -5.798 312 HG3 GLU 432 1HG GLU 432 -29.207 17.701 -7.294 313 H ALA 433 H ALA 433 -31.237 20.500 -10.552 314 HA ALA 433 HA ALA 433 -32.425 22.982 -9.693 315 HB1 ALA 433 1HB ALA 433 -32.970 23.298 -12.054 316 HB2 ALA 433 2HB ALA 433 -32.457 21.645 -12.399 317 HB3 ALA 433 3HB ALA 433 -31.280 22.837 -11.848 318 H ALA 434 H ALA 434 -33.784 21.553 -8.170 319 HA ALA 434 HA ALA 434 -36.456 21.467 -9.242 320 HB1 ALA 434 1HB ALA 434 -35.162 18.938 -8.217 321 HB2 ALA 434 2HB ALA 434 -35.722 19.239 -9.862 322 HB3 ALA 434 3HB ALA 434 -36.884 19.136 -8.539 323 H MET 1 2HT MET 1 3.201 -11.723 -5.837 324 HA MET 1 HA MET 1 4.684 -13.338 -4.849 325 HB2 MET 1 2HB MET 1 3.033 -13.672 -2.884 326 HB3 MET 1 1HB MET 1 2.252 -14.848 -3.931 327 HG2 MET 1 2HG MET 1 3.811 -15.901 -2.383 328 HG3 MET 1 1HG MET 1 4.301 -16.134 -4.061 329 HE1 MET 1 1HE MET 1 5.853 -16.051 -0.924 330 HE2 MET 1 2HE MET 1 7.479 -15.693 -1.509 331 HE3 MET 1 3HE MET 1 6.499 -16.916 -2.319 332 H ALA 2 H ALA 2 1.620 -13.512 -6.498 333 HA ALA 2 HA ALA 2 1.868 -15.945 -7.829 334 HB1 ALA 2 1HB ALA 2 -0.169 -14.582 -7.828 335 HB2 ALA 2 2HB ALA 2 0.310 -15.044 -9.461 336 HB3 ALA 2 3HB ALA 2 0.622 -13.408 -8.879 337 H THR 3 H THR 3 3.228 -12.795 -8.628 338 HA THR 3 HA THR 3 4.943 -14.117 -10.610 339 HB THR 3 HB THR 3 4.744 -11.652 -11.694 340 HG1 THR 3 1HG THR 3 3.009 -10.664 -10.996 341 HG21 THR 3 1HG2 THR 3 4.449 -13.778 -12.882 342 HG22 THR 3 2HG2 THR 3 3.199 -12.618 -13.329 343 HG23 THR 3 3HG2 THR 3 2.826 -13.930 -12.211 344 H SER 4 H SER 4 6.740 -12.400 -11.269 345 HA SER 4 HA SER 4 8.295 -11.886 -8.985 346 HB2 SER 4 2HB SER 4 8.800 -10.339 -11.483 347 HB3 SER 4 1HB SER 4 9.927 -11.256 -10.482 348 HG SER 4 HG SER 4 9.634 -12.895 -11.752 349 H SER 5 H SER 5 5.933 -10.065 -10.688 350 HA SER 5 HA SER 5 5.877 -8.026 -8.644 351 HB2 SER 5 2HB SER 5 6.195 -7.257 -11.564 352 HB3 SER 5 1HB SER 5 6.029 -6.154 -10.198 353 HG SER 5 HG SER 5 8.044 -7.715 -9.610 354 H GLU 6 H GLU 6 3.791 -7.123 -8.481 355 HA GLU 6 HA GLU 6 1.779 -8.529 -10.080 356 HB2 GLU 6 2HB GLU 6 1.653 -7.166 -7.399 357 HB3 GLU 6 1HB GLU 6 0.202 -7.611 -8.283 358 HG2 GLU 6 2HG GLU 6 0.427 -9.449 -6.972 359 HG3 GLU 6 1HG GLU 6 1.382 -9.966 -8.360 360 H GLU 7 H GLU 7 -0.294 -7.208 -10.390 361 HA GLU 7 HA GLU 7 0.314 -5.036 -12.102 362 HB2 GLU 7 2HB GLU 7 -2.439 -5.389 -10.987 363 HB3 GLU 7 1HB GLU 7 -1.944 -4.986 -12.624 364 HG2 GLU 7 2HG GLU 7 -2.696 -7.118 -12.922 365 HG3 GLU 7 1HG GLU 7 -0.988 -7.426 -12.606 366 H VAL 8 H VAL 8 0.089 -2.854 -11.852 367 HA VAL 8 HA VAL 8 0.227 -1.860 -9.148 368 HB VAL 8 HB VAL 8 0.236 -0.261 -11.714 369 HG11 VAL 8 1HG1 VAL 8 -0.208 0.999 -9.640 370 HG12 VAL 8 2HG1 VAL 8 1.321 1.452 -10.397 371 HG13 VAL 8 3HG1 VAL 8 1.315 0.404 -8.979 372 HG21 VAL 8 1HG2 VAL 8 2.572 -1.413 -10.190 373 HG22 VAL 8 2HG2 VAL 8 2.684 -0.305 -11.558 374 HG23 VAL 8 3HG2 VAL 8 2.016 -1.922 -11.786 375 H LEU 9 H LEU 9 -1.635 -1.652 -8.085 376 HA LEU 9 HA LEU 9 -4.091 -0.991 -9.493 377 HB2 LEU 9 2HB LEU 9 -3.762 -1.400 -6.529 378 HB3 LEU 9 1HB LEU 9 -5.231 -1.524 -7.475 379 HG LEU 9 HG LEU 9 -2.899 -3.439 -7.601 380 HD11 LEU 9 1HD1 LEU 9 -4.376 -5.009 -6.505 381 HD12 LEU 9 2HD1 LEU 9 -5.664 -3.805 -6.458 382 HD13 LEU 9 3HD1 LEU 9 -4.195 -3.562 -5.512 383 HD21 LEU 9 1HD2 LEU 9 -4.389 -4.809 -8.985 384 HD22 LEU 9 2HD2 LEU 9 -4.026 -3.261 -9.748 385 HD23 LEU 9 3HD2 LEU 9 -5.587 -3.515 -8.968 386 H LEU 10 H LEU 10 -1.841 0.447 -7.208 387 HA LEU 10 HA LEU 10 -3.327 2.986 -7.491 388 HB2 LEU 10 2HB LEU 10 -3.585 1.822 -5.237 389 HB3 LEU 10 1HB LEU 10 -1.892 2.201 -4.965 390 HG LEU 10 HG LEU 10 -2.540 4.640 -5.401 391 HD11 LEU 10 1HD1 LEU 10 -4.732 4.242 -6.384 392 HD12 LEU 10 2HD1 LEU 10 -4.857 5.231 -4.929 393 HD13 LEU 10 3HD1 LEU 10 -5.287 3.521 -4.871 394 HD21 LEU 10 1HD2 LEU 10 -1.961 3.788 -3.201 395 HD22 LEU 10 2HD2 LEU 10 -3.614 3.213 -2.974 396 HD23 LEU 10 3HD2 LEU 10 -3.290 4.943 -3.087 397 H ILE 11 H ILE 11 -2.139 4.713 -8.028 398 HA ILE 11 HA ILE 11 0.788 4.401 -8.002 399 HB ILE 11 HB ILE 11 -0.933 5.906 -9.978 400 HG12 ILE 11 2HG1 ILE 11 0.931 3.541 -10.296 401 HG13 ILE 11 1HG1 ILE 11 -0.827 3.479 -10.339 402 HG21 ILE 11 1HG2 ILE 11 1.161 6.519 -11.099 403 HG22 ILE 11 2HG2 ILE 11 2.077 5.776 -9.787 404 HG23 ILE 11 3HG2 ILE 11 1.075 7.192 -9.472 405 HD11 ILE 11 1HD1 ILE 11 0.930 4.922 -12.308 406 HD12 ILE 11 2HD1 ILE 11 -0.832 4.832 -12.360 407 HD13 ILE 11 3HD1 ILE 11 0.133 3.369 -12.566 408 H VAL 12 H VAL 12 1.793 5.692 -6.670 409 HA VAL 12 HA VAL 12 0.549 8.254 -5.895 410 HB VAL 12 HB VAL 12 2.563 6.683 -4.281 411 HG11 VAL 12 1HG1 VAL 12 0.690 8.932 -3.566 412 HG12 VAL 12 2HG1 VAL 12 2.448 9.016 -3.695 413 HG13 VAL 12 3HG1 VAL 12 1.701 8.054 -2.419 414 HG21 VAL 12 1HG2 VAL 12 0.583 5.303 -4.561 415 HG22 VAL 12 2HG2 VAL 12 -0.441 6.636 -4.032 416 HG23 VAL 12 3HG2 VAL 12 0.695 5.897 -2.904 417 H LYS 13 H LYS 13 1.891 10.092 -5.828 418 HA LYS 13 HA LYS 13 4.534 9.696 -7.094 419 HB2 LYS 13 2HB LYS 13 2.569 11.955 -7.481 420 HB3 LYS 13 1HB LYS 13 4.224 11.980 -8.077 421 HG2 LYS 13 2HG LYS 13 2.062 10.042 -8.875 422 HG3 LYS 13 1HG LYS 13 2.711 11.361 -9.851 423 HD2 LYS 13 2HD LYS 13 4.867 10.292 -9.956 424 HD3 LYS 13 1HD LYS 13 4.345 9.038 -8.830 425 HE2 LYS 13 2HE LYS 13 2.622 8.356 -10.492 426 HE3 LYS 13 1HE LYS 13 3.313 9.520 -11.621 427 HZ1 LYS 13 1HZ LYS 13 4.156 7.296 -12.023 428 HZ2 LYS 13 2HZ LYS 13 4.743 7.194 -10.441 429 HZ3 LYS 13 3HZ LYS 13 5.408 8.314 -11.518 430 H LYS 14 H LYS 14 6.155 11.239 -6.593 431 HA LYS 14 HA LYS 14 7.561 12.195 -5.120 432 HB2 LYS 14 2HB LYS 14 5.071 13.753 -5.086 433 HB3 LYS 14 1HB LYS 14 6.234 14.130 -3.819 434 HG2 LYS 14 2HG LYS 14 7.881 14.155 -5.912 435 HG3 LYS 14 1HG LYS 14 6.379 14.558 -6.747 436 HD2 LYS 14 2HD LYS 14 7.212 16.644 -6.157 437 HD3 LYS 14 1HD LYS 14 6.074 16.297 -4.854 438 HE2 LYS 14 2HE LYS 14 8.179 15.260 -3.697 439 HE3 LYS 14 1HE LYS 14 9.060 16.292 -4.822 440 HZ1 LYS 14 1HZ LYS 14 7.484 18.118 -3.925 441 HZ2 LYS 14 2HZ LYS 14 8.804 17.640 -2.987 442 HZ3 LYS 14 3HZ LYS 14 7.258 17.062 -2.622 443 H VAL 15 H VAL 15 7.661 10.193 -3.920 444 HA VAL 15 HA VAL 15 6.686 10.554 -1.166 445 HB VAL 15 HB VAL 15 6.851 7.935 -2.677 446 HG11 VAL 15 1HG1 VAL 15 6.037 8.449 0.183 447 HG12 VAL 15 2HG1 VAL 15 7.533 7.674 -0.339 448 HG13 VAL 15 3HG1 VAL 15 5.982 6.895 -0.649 449 HG21 VAL 15 1HG2 VAL 15 4.496 9.477 -1.596 450 HG22 VAL 15 2HG2 VAL 15 4.416 7.853 -2.278 451 HG23 VAL 15 3HG2 VAL 15 4.896 9.213 -3.293 452 H ARG 16 H ARG 16 8.314 10.730 0.207 453 HA ARG 16 HA ARG 16 10.985 9.915 -0.621 454 HB2 ARG 16 2HB ARG 16 9.890 11.759 1.442 455 HB3 ARG 16 1HB ARG 16 11.426 10.989 1.797 456 HG2 ARG 16 2HG ARG 16 12.378 11.910 -0.241 457 HG3 ARG 16 1HG ARG 16 10.828 12.649 -0.641 458 HD2 ARG 16 2HD ARG 16 12.643 14.105 0.473 459 HD3 ARG 16 1HD ARG 16 10.989 14.218 1.064 460 HE ARG 16 HE ARG 16 11.846 12.518 2.819 461 HH11 ARG 16 1HH1 ARG 16 13.803 15.101 1.450 462 HH12 ARG 16 2HH1 ARG 16 14.740 15.317 2.903 463 HH21 ARG 16 1HH2 ARG 16 13.063 12.844 4.710 464 HH22 ARG 16 2HH2 ARG 16 14.318 14.055 4.742 465 H GLN 17 H GLN 17 11.991 8.220 0.065 466 HA GLN 17 HA GLN 17 10.998 6.776 2.433 467 HB2 GLN 17 2HB GLN 17 10.765 5.394 0.455 468 HB3 GLN 17 1HB GLN 17 12.394 5.791 -0.074 469 HG2 GLN 17 2HG GLN 17 12.318 3.543 0.798 470 HG3 GLN 17 1HG GLN 17 13.308 4.563 1.842 471 HE21 GLN 17 1HE2 GLN 17 9.832 4.614 1.773 472 HE22 GLN 17 2HE2 GLN 17 9.598 3.970 3.356 473 H LYS 18 H LYS 18 12.240 7.569 4.020 474 HA LYS 18 HA LYS 18 14.011 8.399 5.149 475 HB2 LYS 18 2HB LYS 18 14.664 5.714 4.165 476 HB3 LYS 18 1HB LYS 18 15.998 6.619 4.865 477 HG2 LYS 18 2HG LYS 18 13.369 6.301 6.278 478 HG3 LYS 18 1HG LYS 18 14.651 5.099 6.410 479 HD2 LYS 18 2HD LYS 18 15.050 6.438 8.257 480 HD3 LYS 18 1HD LYS 18 16.138 7.134 7.059 481 HE2 LYS 18 2HE LYS 18 14.783 9.011 6.742 482 HE3 LYS 18 1HE LYS 18 13.363 8.218 7.421 483 HZ1 LYS 18 1HZ LYS 18 14.351 8.333 9.602 484 HZ2 LYS 18 2HZ LYS 18 14.310 9.878 8.918 485 HZ3 LYS 18 3HZ LYS 18 15.774 9.023 8.966 486 H LYS 19 H LYS 19 14.031 10.146 3.495 487 HA LYS 19 HA LYS 19 15.236 11.797 2.561 488 HB2 LYS 19 2HB LYS 19 17.293 9.965 3.510 489 HB3 LYS 19 1HB LYS 19 17.822 11.125 2.292 490 HG2 LYS 19 2HG LYS 19 16.330 12.605 4.114 491 HG3 LYS 19 1HG LYS 19 17.278 11.490 5.101 492 HD2 LYS 19 2HD LYS 19 18.996 12.466 3.089 493 HD3 LYS 19 1HD LYS 19 18.126 13.858 3.740 494 HE2 LYS 19 2HE LYS 19 20.042 13.635 5.076 495 HE3 LYS 19 1HE LYS 19 18.718 12.980 6.034 496 HZ1 LYS 19 1HZ LYS 19 21.085 11.741 5.487 497 HZ2 LYS 19 2HZ LYS 19 19.991 10.984 4.440 498 HZ3 LYS 19 3HZ LYS 19 19.685 10.995 6.107 499 H GLN 20 H GLN 20 14.264 9.298 1.000 500 HA GLN 20 HA GLN 20 15.655 10.075 -1.487 501 HB2 GLN 20 2HB GLN 20 14.657 7.313 -0.749 502 HB3 GLN 20 1HB GLN 20 15.329 7.763 -2.309 503 HG2 GLN 20 2HG GLN 20 17.474 7.919 -1.493 504 HG3 GLN 20 1HG GLN 20 16.936 8.180 0.167 505 HE21 GLN 20 1HE2 GLN 20 16.335 6.424 1.420 506 HE22 GLN 20 2HE2 GLN 20 16.742 4.802 0.985 507 H ASP 21 H ASP 21 14.244 11.094 -2.802 508 HA ASP 21 HA ASP 21 11.394 10.720 -2.369 509 HB2 ASP 21 2HB ASP 21 12.709 12.970 -2.910 510 HB3 ASP 21 1HB ASP 21 12.410 12.462 -4.571 511 H GLY 22 H GLY 22 9.929 10.160 -4.067 512 HA2 GLY 22 2HA GLY 22 10.699 9.304 -6.611 513 HA3 GLY 22 1HA GLY 22 10.763 7.911 -5.543 514 H ALA 23 H ALA 23 9.097 6.817 -6.485 515 HA ALA 23 HA ALA 23 6.426 7.967 -6.014 516 HB1 ALA 23 1HB ALA 23 6.952 8.165 -8.397 517 HB2 ALA 23 2HB ALA 23 5.618 7.047 -8.108 518 HB3 ALA 23 3HB ALA 23 7.228 6.424 -8.473 519 H LEU 24 H LEU 24 4.903 6.635 -5.249 520 HA LEU 24 HA LEU 24 5.779 3.932 -4.502 521 HB2 LEU 24 2HB LEU 24 5.126 5.484 -2.676 522 HB3 LEU 24 1HB LEU 24 3.520 5.586 -3.377 523 HG LEU 24 HG LEU 24 3.547 2.988 -3.108 524 HD11 LEU 24 1HD1 LEU 24 5.570 3.831 -1.044 525 HD12 LEU 24 2HD1 LEU 24 5.872 2.800 -2.443 526 HD13 LEU 24 3HD1 LEU 24 4.805 2.245 -1.154 527 HD21 LEU 24 1HD2 LEU 24 1.992 4.464 -1.978 528 HD22 LEU 24 2HD2 LEU 24 3.221 4.881 -0.785 529 HD23 LEU 24 3HD2 LEU 24 2.585 3.237 -0.859 530 H TYR 25 H TYR 25 4.650 2.170 -5.125 531 HA TYR 25 HA TYR 25 2.180 2.603 -6.666 532 HB2 TYR 25 2HB TYR 25 4.416 0.720 -7.444 533 HB3 TYR 25 1HB TYR 25 2.895 0.926 -8.300 534 HD1 TYR 25 1HD TYR 25 2.454 3.013 -9.553 535 HD2 TYR 25 2HD TYR 25 6.221 2.267 -7.722 536 HE1 TYR 25 1HE TYR 25 3.467 4.781 -10.926 537 HE2 TYR 25 2HE TYR 25 7.243 4.036 -9.088 538 HH TYR 25 HH TYR 25 6.844 5.204 -11.180 539 H LEU 26 H LEU 26 0.561 1.530 -5.757 540 HA LEU 26 HA LEU 26 1.094 -0.711 -3.986 541 HB2 LEU 26 2HB LEU 26 -1.511 0.587 -4.786 542 HB3 LEU 26 1HB LEU 26 -1.367 -0.725 -3.636 543 HG LEU 26 HG LEU 26 -0.656 2.145 -3.330 544 HD11 LEU 26 1HD1 LEU 26 -2.784 1.283 -2.484 545 HD12 LEU 26 2HD1 LEU 26 -1.740 1.829 -1.171 546 HD13 LEU 26 3HD1 LEU 26 -1.914 0.106 -1.499 547 HD21 LEU 26 1HD2 LEU 26 0.597 -0.075 -1.739 548 HD22 LEU 26 2HD2 LEU 26 0.712 1.649 -1.382 549 HD23 LEU 26 3HD2 LEU 26 1.435 1.003 -2.856 550 H MET 27 H MET 27 0.817 -2.821 -4.537 551 HA MET 27 HA MET 27 -0.280 -3.314 -7.224 552 HB2 MET 27 2HB MET 27 1.640 -5.231 -6.008 553 HB3 MET 27 1HB MET 27 1.372 -4.805 -7.694 554 HG2 MET 27 2HG MET 27 2.442 -2.595 -7.204 555 HG3 MET 27 1HG MET 27 2.895 -3.249 -5.631 556 HE1 MET 27 1HE MET 27 4.504 -2.215 -8.577 557 HE2 MET 27 2HE MET 27 3.359 -3.265 -9.411 558 HE3 MET 27 3HE MET 27 5.086 -3.613 -9.480 559 H ALA 28 H ALA 28 -1.008 -5.610 -7.496 560 HA ALA 28 HA ALA 28 -3.213 -6.158 -6.009 561 HB1 ALA 28 1HB ALA 28 -1.520 -8.219 -7.400 562 HB2 ALA 28 2HB ALA 28 -2.697 -7.162 -8.180 563 HB3 ALA 28 3HB ALA 28 -3.231 -8.358 -6.999 564 H GLU 29 H GLU 29 -0.059 -7.824 -5.521 565 HA GLU 29 HA GLU 29 -1.132 -8.703 -2.921 566 HB2 GLU 29 2HB GLU 29 1.012 -9.965 -4.629 567 HB3 GLU 29 1HB GLU 29 0.553 -10.520 -3.028 568 HG2 GLU 29 2HG GLU 29 -1.783 -10.819 -3.966 569 HG3 GLU 29 1HG GLU 29 -1.050 -10.604 -5.557 570 H ARG 30 H ARG 30 0.665 -6.218 -3.854 571 HA ARG 30 HA ARG 30 2.179 -6.223 -1.417 572 HB2 ARG 30 2HB ARG 30 4.357 -6.456 -2.179 573 HB3 ARG 30 1HB ARG 30 3.494 -7.663 -3.122 574 HG2 ARG 30 2HG ARG 30 3.401 -6.090 -5.014 575 HG3 ARG 30 1HG ARG 30 4.320 -4.921 -4.063 576 HD2 ARG 30 2HD ARG 30 5.943 -5.954 -5.363 577 HD3 ARG 30 1HD ARG 30 6.056 -6.800 -3.821 578 HE ARG 30 HE ARG 30 4.245 -8.176 -5.481 579 HH11 ARG 30 1HH1 ARG 30 7.679 -7.500 -5.197 580 HH12 ARG 30 2HH1 ARG 30 8.158 -8.921 -6.067 581 HH21 ARG 30 1HH2 ARG 30 4.863 -10.051 -6.607 582 HH22 ARG 30 2HH2 ARG 30 6.553 -10.388 -6.858 583 H ILE 31 H ILE 31 3.727 -4.348 -1.334 584 HA ILE 31 HA ILE 31 2.749 -2.060 -2.911 585 HB ILE 31 HB ILE 31 1.864 -1.604 -0.780 586 HG12 ILE 31 2HG1 ILE 31 4.602 -0.310 -0.763 587 HG13 ILE 31 1HG1 ILE 31 3.208 0.274 -1.664 588 HG21 ILE 31 1HG2 ILE 31 2.835 -3.379 0.485 589 HG22 ILE 31 2HG2 ILE 31 3.174 -1.863 1.322 590 HG23 ILE 31 3HG2 ILE 31 4.437 -2.650 0.376 591 HD11 ILE 31 1HD1 ILE 31 3.465 0.106 1.330 592 HD12 ILE 31 2HD1 ILE 31 2.015 0.613 0.464 593 HD13 ILE 31 3HD1 ILE 31 3.493 1.568 0.344 594 H ALA 32 H ALA 32 4.354 -1.058 -4.003 595 HA ALA 32 HA ALA 32 7.103 -1.542 -3.072 596 HB1 ALA 32 1HB ALA 32 6.625 -3.002 -4.959 597 HB2 ALA 32 2HB ALA 32 7.836 -1.790 -5.377 598 HB3 ALA 32 3HB ALA 32 6.173 -1.603 -5.935 599 H TRP 33 H TRP 33 8.631 0.025 -3.554 600 HA TRP 33 HA TRP 33 7.573 2.620 -4.445 601 HB2 TRP 33 2HB TRP 33 7.767 2.714 -2.022 602 HB3 TRP 33 1HB TRP 33 9.409 2.092 -2.096 603 HD1 TRP 33 HD TRP 33 7.389 5.285 -2.710 604 HE1 TRP 33 1HE TRP 33 9.022 7.277 -2.846 605 HE3 TRP 33 3HE TRP 33 11.816 2.724 -2.654 606 HZ2 TRP 33 2HZ TRP 33 11.801 7.698 -2.928 607 HZ3 TRP 33 3HZ TRP 33 13.916 4.000 -2.765 608 HH2 TRP 33 HH TRP 33 13.906 6.437 -2.899 609 H ALA 34 H ALA 34 8.798 3.663 -5.878 610 HA ALA 34 HA ALA 34 11.516 2.648 -6.395 611 HB1 ALA 34 1HB ALA 34 11.144 3.103 -8.786 612 HB2 ALA 34 2HB ALA 34 9.473 3.546 -8.431 613 HB3 ALA 34 3HB ALA 34 10.022 1.891 -8.164 614 HA PRO 35 HA PRO 35 12.729 6.840 -5.607 615 HB2 PRO 35 2HB PRO 35 14.938 6.304 -7.508 616 HB3 PRO 35 1HB PRO 35 15.004 6.800 -5.816 617 HG2 PRO 35 2HG PRO 35 15.635 4.308 -6.557 618 HG3 PRO 35 1HG PRO 35 14.787 4.633 -5.033 619 HD2 PRO 35 2HD PRO 35 13.705 3.608 -7.627 620 HD3 PRO 35 1HD PRO 35 13.287 3.137 -5.966 621 H GLU 36 H GLU 36 13.302 8.817 -6.798 622 HA GLU 36 HA GLU 36 11.413 9.491 -8.687 623 HB2 GLU 36 2HB GLU 36 13.254 11.392 -9.136 624 HB3 GLU 36 1HB GLU 36 12.179 11.372 -7.749 625 HG2 GLU 36 2HG GLU 36 14.432 11.876 -7.051 626 HG3 GLU 36 1HG GLU 36 13.930 10.319 -6.405 627 H GLY 37 H GLY 37 11.145 8.991 -10.723 628 HA2 GLY 37 2HA GLY 37 11.566 8.658 -12.954 629 HA3 GLY 37 1HA GLY 37 13.165 9.327 -12.685 630 H LYS 38 H LYS 38 12.605 6.726 -10.612 631 HA LYS 38 HA LYS 38 14.202 5.008 -12.382 632 HB2 LYS 38 2HB LYS 38 13.704 4.524 -9.449 633 HB3 LYS 38 1HB LYS 38 14.986 3.870 -10.456 634 HG2 LYS 38 2HG LYS 38 14.722 6.760 -9.649 635 HG3 LYS 38 1HG LYS 38 15.786 5.578 -8.888 636 HD2 LYS 38 2HD LYS 38 16.891 5.263 -11.106 637 HD3 LYS 38 1HD LYS 38 15.914 6.596 -11.723 638 HE2 LYS 38 2HE LYS 38 17.900 6.734 -9.455 639 HE3 LYS 38 1HE LYS 38 18.135 7.370 -11.082 640 HZ1 LYS 38 1HZ LYS 38 15.920 8.645 -10.450 641 HZ2 LYS 38 2HZ LYS 38 17.441 9.249 -10.037 642 HZ3 LYS 38 3HZ LYS 38 16.518 8.432 -8.880 643 H ASP 39 H ASP 39 13.461 3.065 -13.072 644 HA ASP 39 HA ASP 39 10.656 2.466 -12.528 645 HB2 ASP 39 2HB ASP 39 10.569 1.454 -14.587 646 HB3 ASP 39 1HB ASP 39 11.896 2.570 -14.881 647 H ARG 40 H ARG 40 13.450 1.734 -11.128 648 HA ARG 40 HA ARG 40 12.816 -1.091 -10.651 649 HB2 ARG 40 2HB ARG 40 15.352 0.456 -10.079 650 HB3 ARG 40 1HB ARG 40 15.106 -1.245 -9.718 651 HG2 ARG 40 2HG ARG 40 15.033 -0.048 -12.478 652 HG3 ARG 40 1HG ARG 40 16.425 -0.860 -11.761 653 HD2 ARG 40 2HD ARG 40 15.579 -2.689 -12.756 654 HD3 ARG 40 1HD ARG 40 14.485 -2.715 -11.375 655 HE ARG 40 HE ARG 40 13.631 -1.172 -13.703 656 HH11 ARG 40 1HH1 ARG 40 13.391 -4.153 -11.859 657 HH12 ARG 40 2HH1 ARG 40 11.907 -4.644 -12.604 658 HH21 ARG 40 1HH2 ARG 40 11.695 -1.809 -14.689 659 HH22 ARG 40 2HH2 ARG 40 10.936 -3.308 -14.222 660 H PHE 41 H PHE 41 11.603 -1.399 -8.933 661 HA PHE 41 HA PHE 41 11.382 0.505 -6.813 662 HB2 PHE 41 2HB PHE 41 10.380 -2.329 -6.663 663 HB3 PHE 41 1HB PHE 41 9.697 -0.884 -5.929 664 HD1 PHE 41 1HD PHE 41 8.492 0.761 -7.352 665 HD2 PHE 41 2HD PHE 41 9.766 -3.019 -8.833 666 HE1 PHE 41 1HE PHE 41 6.925 0.975 -9.237 667 HE2 PHE 41 2HE PHE 41 8.204 -2.811 -10.723 668 HZ PHE 41 HZ PHE 41 6.781 -0.811 -10.924 669 H THR 42 H THR 42 12.722 0.682 -5.144 670 HA THR 42 HA THR 42 14.614 -1.444 -4.570 671 HB THR 42 HB THR 42 15.222 0.392 -2.724 672 HG1 THR 42 1HG THR 42 14.684 2.452 -3.450 673 HG21 THR 42 1HG2 THR 42 15.867 0.678 -5.664 674 HG22 THR 42 2HG2 THR 42 16.700 -0.380 -4.525 675 HG23 THR 42 3HG2 THR 42 16.791 1.371 -4.330 676 H ILE 43 H ILE 43 11.668 -0.161 -3.382 677 HA ILE 43 HA ILE 43 11.868 -1.803 -0.942 678 HB ILE 43 HB ILE 43 10.046 0.556 -1.466 679 HG12 ILE 43 2HG1 ILE 43 12.423 1.200 -1.177 680 HG13 ILE 43 1HG1 ILE 43 11.403 1.784 0.132 681 HG21 ILE 43 1HG2 ILE 43 9.039 -1.093 0.010 682 HG22 ILE 43 2HG2 ILE 43 9.456 0.372 0.898 683 HG23 ILE 43 3HG2 ILE 43 10.471 -1.063 1.040 684 HD11 ILE 43 1HD1 ILE 43 12.184 -0.033 1.554 685 HD12 ILE 43 2HD1 ILE 43 13.523 0.951 0.962 686 HD13 ILE 43 3HD1 ILE 43 13.199 -0.626 0.240 687 H SER 44 H SER 44 10.748 -3.659 -1.106 688 HA SER 44 HA SER 44 8.158 -3.601 -2.472 689 HB2 SER 44 2HB SER 44 10.199 -4.589 -3.821 690 HB3 SER 44 1HB SER 44 9.934 -5.991 -2.790 691 HG SER 44 HG SER 44 8.125 -4.788 -4.609 692 H HIS 45 H HIS 45 6.780 -3.991 -0.854 693 HA HIS 45 HA HIS 45 7.382 -6.227 0.980 694 HB2 HIS 45 2HB HIS 45 5.978 -3.615 1.542 695 HB3 HIS 45 1HB HIS 45 5.861 -5.008 2.609 696 HD1 HIS 45 1HD HIS 45 8.305 -5.835 3.584 697 HD2 HIS 45 2HD HIS 45 8.025 -1.986 2.065 698 HE1 HIS 45 1HE HIS 45 10.246 -4.549 4.558 699 H MET 46 H MET 46 5.971 -7.838 0.988 700 HA MET 46 HA MET 46 3.591 -7.554 -0.649 701 HB2 MET 46 2HB MET 46 4.951 -9.870 0.700 702 HB3 MET 46 1HB MET 46 3.304 -10.023 0.110 703 HG2 MET 46 2HG MET 46 4.707 -8.919 -2.016 704 HG3 MET 46 1HG MET 46 5.798 -10.123 -1.329 705 HE1 MET 46 1HE MET 46 3.205 -11.846 -0.038 706 HE2 MET 46 2HE MET 46 4.692 -12.622 -0.582 707 HE3 MET 46 3HE MET 46 3.135 -13.164 -1.206 708 H TYR 47 H TYR 47 1.501 -7.931 0.142 709 HA TYR 47 HA TYR 47 0.939 -6.755 2.638 710 HB2 TYR 47 2HB TYR 47 -0.850 -8.513 0.943 711 HB3 TYR 47 1HB TYR 47 -1.389 -7.486 2.266 712 HD1 TYR 47 1HD TYR 47 -2.090 -7.532 -0.822 713 HD2 TYR 47 2HD TYR 47 0.393 -5.100 1.628 714 HE1 TYR 47 1HE TYR 47 -2.368 -5.667 -2.396 715 HE2 TYR 47 2HE TYR 47 0.119 -3.227 0.060 716 HH TYR 47 HH TYR 47 -1.410 -3.647 -3.036 717 H ALA 48 H ALA 48 1.727 -9.948 1.726 718 HA ALA 48 HA ALA 48 0.581 -11.291 3.977 719 HB1 ALA 48 1HB ALA 48 2.669 -12.223 2.014 720 HB2 ALA 48 2HB ALA 48 0.925 -12.433 1.851 721 HB3 ALA 48 3HB ALA 48 1.792 -13.241 3.157 722 H ASP 49 H ASP 49 3.199 -9.236 3.724 723 HA ASP 49 HA ASP 49 4.570 -10.568 5.969 724 HB2 ASP 49 2HB ASP 49 5.874 -8.315 4.515 725 HB3 ASP 49 1HB ASP 49 6.605 -9.716 5.280 726 H ILE 50 H ILE 50 2.462 -8.134 5.238 727 HA ILE 50 HA ILE 50 3.520 -6.250 7.215 728 HB ILE 50 HB ILE 50 1.093 -5.922 5.446 729 HG12 ILE 50 2HG1 ILE 50 3.891 -4.857 5.001 730 HG13 ILE 50 1HG1 ILE 50 3.225 -6.257 4.168 731 HG21 ILE 50 1HG2 ILE 50 2.743 -3.909 6.968 732 HG22 ILE 50 2HG2 ILE 50 1.139 -4.482 7.423 733 HG23 ILE 50 3HG2 ILE 50 1.355 -3.549 5.942 734 HD11 ILE 50 1HD1 ILE 50 3.115 -4.283 2.776 735 HD12 ILE 50 2HD1 ILE 50 2.184 -3.437 4.013 736 HD13 ILE 50 3HD1 ILE 50 1.492 -4.835 3.189 737 H LYS 51 H LYS 51 2.768 -6.208 9.246 738 HA LYS 51 HA LYS 51 0.609 -7.936 10.064 739 HB2 LYS 51 2HB LYS 51 2.680 -7.532 11.436 740 HB3 LYS 51 1HB LYS 51 2.117 -5.895 11.719 741 HG2 LYS 51 2HG LYS 51 0.278 -8.116 12.414 742 HG3 LYS 51 1HG LYS 51 1.691 -7.870 13.436 743 HD2 LYS 51 2HD LYS 51 -0.101 -5.571 12.729 744 HD3 LYS 51 1HD LYS 51 -0.531 -6.674 14.036 745 HE2 LYS 51 2HE LYS 51 1.629 -6.190 15.122 746 HE3 LYS 51 1HE LYS 51 2.009 -5.053 13.830 747 HZ1 LYS 51 1HZ LYS 51 0.185 -3.666 14.489 748 HZ2 LYS 51 2HZ LYS 51 1.113 -3.990 15.863 749 HZ3 LYS 51 3HZ LYS 51 -0.348 -4.801 15.624 750 H CYS 52 H CYS 52 1.211 -4.468 9.915 751 HA CYS 52 HA CYS 52 -1.549 -3.869 9.443 752 HB2 CYS 52 2HB CYS 52 -1.777 -2.345 11.408 753 HB3 CYS 52 1HB CYS 52 -1.702 -4.044 11.858 754 HG CYS 52 HG CYS 52 -0.233 -2.060 13.529 755 H GLN 53 H GLN 53 -1.646 -1.205 9.714 756 HA GLN 53 HA GLN 53 0.867 -0.248 8.539 757 HB2 GLN 53 2HB GLN 53 -0.743 1.187 7.093 758 HB3 GLN 53 1HB GLN 53 -0.538 -0.496 6.659 759 HG2 GLN 53 2HG GLN 53 -2.610 -1.099 7.520 760 HG3 GLN 53 1HG GLN 53 -2.749 0.380 8.465 761 HE21 GLN 53 1HE2 GLN 53 -1.812 1.981 6.144 762 HE22 GLN 53 2HE2 GLN 53 -3.180 2.079 5.095 763 H LYS 54 H LYS 54 1.041 2.147 8.821 764 HA LYS 54 HA LYS 54 -0.751 3.287 10.860 765 HB2 LYS 54 2HB LYS 54 2.177 3.861 11.088 766 HB3 LYS 54 1HB LYS 54 0.938 3.899 12.321 767 HG2 LYS 54 2HG LYS 54 1.300 1.216 11.410 768 HG3 LYS 54 1HG LYS 54 2.855 1.921 11.870 769 HD2 LYS 54 2HD LYS 54 0.545 2.418 13.649 770 HD3 LYS 54 1HD LYS 54 1.215 0.788 13.630 771 HE2 LYS 54 2HE LYS 54 3.440 1.737 14.114 772 HE3 LYS 54 1HE LYS 54 2.705 3.338 14.211 773 HZ1 LYS 54 1HZ LYS 54 1.510 1.246 15.858 774 HZ2 LYS 54 2HZ LYS 54 1.771 2.889 16.201 775 HZ3 LYS 54 3HZ LYS 54 3.049 1.792 16.323 776 H ILE 55 H ILE 55 -0.419 5.657 10.943 777 HA ILE 55 HA ILE 55 0.833 6.725 8.481 778 HB ILE 55 HB ILE 55 -1.264 8.262 8.364 779 HG12 ILE 55 2HG1 ILE 55 -2.278 5.952 9.996 780 HG13 ILE 55 1HG1 ILE 55 -2.151 7.625 10.499 781 HG21 ILE 55 1HG2 ILE 55 -1.537 5.349 7.615 782 HG22 ILE 55 2HG2 ILE 55 -0.743 6.587 6.643 783 HG23 ILE 55 3HG2 ILE 55 -2.480 6.679 6.942 784 HD11 ILE 55 1HD1 ILE 55 -4.010 6.549 8.417 785 HD12 ILE 55 2HD1 ILE 55 -3.878 8.235 8.924 786 HD13 ILE 55 3HD1 ILE 55 -4.421 7.007 10.069 787 H SER 56 H SER 56 1.939 8.688 8.894 788 HA SER 56 HA SER 56 1.808 9.667 11.580 789 HB2 SER 56 2HB SER 56 2.975 11.749 10.395 790 HB3 SER 56 1HB SER 56 3.868 10.268 10.729 791 HG SER 56 HG SER 56 3.623 11.414 8.446 792 HA PRO 57 HA PRO 57 -2.278 11.182 11.074 793 HB2 PRO 57 2HB PRO 57 -2.153 12.689 13.413 794 HB3 PRO 57 1HB PRO 57 -2.603 10.986 13.293 795 HG2 PRO 57 2HG PRO 57 0.038 12.200 13.983 796 HG3 PRO 57 1HG PRO 57 -0.768 10.786 14.689 797 HD2 PRO 57 2HD PRO 57 1.216 10.489 12.969 798 HD3 PRO 57 1HD PRO 57 -0.204 9.426 12.907 799 H GLU 58 H GLU 58 -3.431 13.234 11.061 800 HA GLU 58 HA GLU 58 -2.147 15.292 9.640 801 HB2 GLU 58 2HB GLU 58 -4.821 14.917 10.908 802 HB3 GLU 58 1HB GLU 58 -4.340 16.557 10.502 803 HG2 GLU 58 2HG GLU 58 -5.703 15.201 8.800 804 HG3 GLU 58 1HG GLU 58 -4.318 16.130 8.231 805 H GLY 59 H GLY 59 -1.194 17.146 10.309 806 HA2 GLY 59 2HA GLY 59 -1.005 18.919 11.990 807 HA3 GLY 59 1HA GLY 59 -1.161 17.664 13.216 808 H LYS 60 H LYS 60 0.553 15.862 11.535 809 HA LYS 60 HA LYS 60 3.075 16.605 12.660 810 HB2 LYS 60 2HB LYS 60 2.071 14.353 10.963 811 HB3 LYS 60 1HB LYS 60 3.803 14.640 11.024 812 HG2 LYS 60 2HG LYS 60 2.194 14.350 13.535 813 HG3 LYS 60 1HG LYS 60 2.775 12.939 12.650 814 HD2 LYS 60 2HD LYS 60 4.838 14.963 13.095 815 HD3 LYS 60 1HD LYS 60 4.166 14.309 14.587 816 HE2 LYS 60 2HE LYS 60 6.208 13.118 13.566 817 HE3 LYS 60 1HE LYS 60 4.848 12.131 14.087 818 HZ1 LYS 60 1HZ LYS 60 5.720 11.479 11.926 819 HZ2 LYS 60 2HZ LYS 60 5.330 13.009 11.295 820 HZ3 LYS 60 3HZ LYS 60 4.103 11.972 11.837 821 H ALA 61 H ALA 61 5.058 16.826 11.270 822 HA ALA 61 HA ALA 61 4.630 18.912 9.384 823 HB1 ALA 61 1HB ALA 61 7.150 17.367 9.999 824 HB2 ALA 61 2HB ALA 61 6.624 18.854 10.789 825 HB3 ALA 61 3HB ALA 61 7.060 18.870 9.081 826 H LYS 62 H LYS 62 4.953 15.475 9.132 827 HA LYS 62 HA LYS 62 4.670 15.755 6.221 828 HB2 LYS 62 2HB LYS 62 6.302 13.546 7.437 829 HB3 LYS 62 1HB LYS 62 6.204 14.027 5.752 830 HG2 LYS 62 2HG LYS 62 7.526 15.954 6.137 831 HG3 LYS 62 1HG LYS 62 7.416 15.758 7.890 832 HD2 LYS 62 2HD LYS 62 8.582 13.567 7.643 833 HD3 LYS 62 1HD LYS 62 8.818 13.940 5.936 834 HE2 LYS 62 2HE LYS 62 10.798 14.457 7.259 835 HE3 LYS 62 1HE LYS 62 10.106 15.904 6.526 836 HZ1 LYS 62 1HZ LYS 62 10.818 15.833 9.048 837 HZ2 LYS 62 2HZ LYS 62 9.249 15.208 9.243 838 HZ3 LYS 62 3HZ LYS 62 9.476 16.724 8.533 839 H ILE 63 H ILE 63 2.835 14.843 5.625 840 HA ILE 63 HA ILE 63 1.467 12.943 7.283 841 HB ILE 63 HB ILE 63 0.826 13.863 4.473 842 HG12 ILE 63 2HG1 ILE 63 -0.992 14.926 6.350 843 HG13 ILE 63 1HG1 ILE 63 0.613 15.182 7.027 844 HG21 ILE 63 1HG2 ILE 63 -0.227 11.727 5.119 845 HG22 ILE 63 2HG2 ILE 63 -1.398 13.022 4.873 846 HG23 ILE 63 3HG2 ILE 63 -0.952 12.535 6.509 847 HD11 ILE 63 1HD1 ILE 63 -0.228 17.066 5.662 848 HD12 ILE 63 2HD1 ILE 63 -0.214 16.003 4.254 849 HD13 ILE 63 3HD1 ILE 63 1.296 16.396 5.079 850 H GLN 64 H GLN 64 2.026 10.815 7.334 851 HA GLN 64 HA GLN 64 2.997 9.661 4.789 852 HB2 GLN 64 2HB GLN 64 4.459 9.288 7.391 853 HB3 GLN 64 1HB GLN 64 4.931 8.673 5.815 854 HG2 GLN 64 2HG GLN 64 5.377 10.889 5.027 855 HG3 GLN 64 1HG GLN 64 4.752 11.585 6.523 856 HE21 GLN 64 1HE2 GLN 64 6.643 8.675 6.538 857 HE22 GLN 64 2HE2 GLN 64 8.059 9.371 7.247 858 H LEU 65 H LEU 65 3.438 7.335 4.926 859 HA LEU 65 HA LEU 65 1.516 5.954 6.680 860 HB2 LEU 65 2HB LEU 65 0.961 5.947 4.217 861 HB3 LEU 65 1HB LEU 65 2.444 5.047 3.953 862 HG LEU 65 HG LEU 65 1.338 3.463 5.799 863 HD11 LEU 65 1HD1 LEU 65 -1.061 3.242 5.359 864 HD12 LEU 65 2HD1 LEU 65 -1.001 4.707 4.378 865 HD13 LEU 65 3HD1 LEU 65 -0.649 4.787 6.104 866 HD21 LEU 65 1HD2 LEU 65 0.629 3.415 2.881 867 HD22 LEU 65 2HD2 LEU 65 0.555 2.053 3.999 868 HD23 LEU 65 3HD2 LEU 65 2.111 2.781 3.600 869 H GLN 66 H GLN 66 2.278 4.233 7.807 870 HA GLN 66 HA GLN 66 5.097 3.474 7.410 871 HB2 GLN 66 2HB GLN 66 4.678 4.723 9.503 872 HB3 GLN 66 1HB GLN 66 3.500 3.513 9.978 873 HG2 GLN 66 2HG GLN 66 5.216 1.825 10.104 874 HG3 GLN 66 1HG GLN 66 6.422 2.967 9.513 875 HE21 GLN 66 1HE2 GLN 66 7.274 4.468 10.880 876 HE22 GLN 66 2HE2 GLN 66 6.985 4.475 12.588 877 H LEU 67 H LEU 67 5.467 1.376 7.021 878 HA LEU 67 HA LEU 67 3.196 -0.469 7.184 879 HB2 LEU 67 2HB LEU 67 5.838 -0.615 5.746 880 HB3 LEU 67 1HB LEU 67 4.735 -1.972 5.852 881 HG LEU 67 HG LEU 67 4.249 0.656 4.466 882 HD11 LEU 67 1HD1 LEU 67 4.435 -2.181 3.464 883 HD12 LEU 67 2HD1 LEU 67 5.671 -0.938 3.280 884 HD13 LEU 67 3HD1 LEU 67 4.109 -0.753 2.482 885 HD21 LEU 67 1HD2 LEU 67 2.074 -0.266 3.832 886 HD22 LEU 67 2HD2 LEU 67 2.205 -0.082 5.581 887 HD23 LEU 67 3HD2 LEU 67 2.371 -1.676 4.848 888 H VAL 68 H VAL 68 3.095 -1.393 9.176 889 HA VAL 68 HA VAL 68 5.582 -2.204 10.466 890 HB VAL 68 HB VAL 68 2.723 -2.243 11.450 891 HG11 VAL 68 1HG1 VAL 68 3.621 -3.046 13.594 892 HG12 VAL 68 2HG1 VAL 68 5.209 -3.230 12.853 893 HG13 VAL 68 3HG1 VAL 68 3.861 -4.226 12.306 894 HG21 VAL 68 1HG2 VAL 68 3.598 -0.660 13.105 895 HG22 VAL 68 2HG2 VAL 68 3.813 -0.072 11.456 896 HG23 VAL 68 3HG2 VAL 68 5.183 -0.749 12.337 897 H LEU 69 H LEU 69 6.409 -4.012 9.779 898 HA LEU 69 HA LEU 69 4.820 -6.012 8.509 899 HB2 LEU 69 2HB LEU 69 7.729 -6.081 9.267 900 HB3 LEU 69 1HB LEU 69 6.910 -7.233 8.225 901 HG LEU 69 HG LEU 69 7.869 -4.502 7.646 902 HD11 LEU 69 1HD1 LEU 69 7.538 -7.005 6.025 903 HD12 LEU 69 2HD1 LEU 69 9.015 -6.456 6.818 904 HD13 LEU 69 3HD1 LEU 69 8.332 -5.526 5.483 905 HD21 LEU 69 1HD2 LEU 69 6.338 -4.180 5.790 906 HD22 LEU 69 2HD2 LEU 69 5.503 -4.145 7.343 907 HD23 LEU 69 3HD2 LEU 69 5.402 -5.579 6.320 908 H HIS 70 H HIS 70 5.480 -8.408 9.171 909 HA HIS 70 HA HIS 70 4.120 -8.888 11.591 910 HB2 HIS 70 2HB HIS 70 5.714 -10.717 9.807 911 HB3 HIS 70 1HB HIS 70 4.829 -11.277 11.219 912 HD1 HIS 70 1HD HIS 70 2.257 -9.471 10.709 913 HD2 HIS 70 2HD HIS 70 4.138 -11.915 7.935 914 HE1 HIS 70 1HE HIS 70 0.528 -10.007 8.947 915 H ALA 71 H ALA 71 7.573 -8.647 10.933 916 HA ALA 71 HA ALA 71 8.175 -9.796 13.552 917 HB1 ALA 71 1HB ALA 71 10.062 -8.849 11.402 918 HB2 ALA 71 2HB ALA 71 9.519 -10.510 11.635 919 HB3 ALA 71 3HB ALA 71 10.503 -9.722 12.868 920 H GLY 72 H GLY 72 7.091 -6.932 12.728 921 HA2 GLY 72 2HA GLY 72 7.069 -5.034 14.120 922 HA3 GLY 72 1HA GLY 72 8.553 -5.601 14.875 923 H ASP 73 H ASP 73 8.372 -5.644 11.475 924 HA ASP 73 HA ASP 73 10.518 -3.728 11.235 925 HB2 ASP 73 2HB ASP 73 9.034 -4.903 8.904 926 HB3 ASP 73 1HB ASP 73 10.728 -4.476 9.018 927 H THR 74 H THR 74 10.316 -1.771 9.914 928 HA THR 74 HA THR 74 7.559 -0.971 9.367 929 HB THR 74 HB THR 74 7.995 1.273 10.454 930 HG1 THR 74 1HG THR 74 10.363 0.737 10.614 931 HG21 THR 74 1HG2 THR 74 6.580 -0.435 11.522 932 HG22 THR 74 2HG2 THR 74 7.453 0.541 12.703 933 HG23 THR 74 3HG2 THR 74 8.005 -1.091 12.328 934 H THR 75 H THR 75 7.365 0.112 7.547 935 HA THR 75 HA THR 75 9.761 1.333 6.349 936 HB THR 75 HB THR 75 7.362 0.670 4.697 937 HG1 THR 75 1HG THR 75 8.916 -1.449 4.583 938 HG21 THR 75 1HG2 THR 75 10.338 0.467 4.206 939 HG22 THR 75 2HG2 THR 75 9.307 1.810 3.715 940 HG23 THR 75 3HG2 THR 75 9.071 0.213 3.007 941 H ASN 76 H ASN 76 9.719 3.503 6.373 942 HA ASN 76 HA ASN 76 7.176 4.875 6.812 943 HB2 ASN 76 2HB ASN 76 10.031 5.523 7.294 944 HB3 ASN 76 1HB ASN 76 8.948 6.870 6.958 945 HD21 ASN 76 1HD2 ASN 76 9.085 7.710 8.989 946 HD22 ASN 76 2HD2 ASN 76 8.380 6.948 10.373 947 H PHE 77 H PHE 77 6.081 5.532 5.092 948 HA PHE 77 HA PHE 77 7.588 6.450 2.736 949 HB2 PHE 77 2HB PHE 77 4.768 5.411 3.035 950 HB3 PHE 77 1HB PHE 77 5.361 6.165 1.557 951 HD1 PHE 77 1HD PHE 77 7.652 5.165 0.692 952 HD2 PHE 77 2HD PHE 77 4.882 3.122 3.190 953 HE1 PHE 77 1HE PHE 77 8.595 3.013 -0.032 954 HE2 PHE 77 2HE PHE 77 5.818 0.963 2.469 955 HZ PHE 77 HZ PHE 77 7.682 0.910 0.858 956 H HIS 78 H HIS 78 7.933 8.553 2.884 957 HA HIS 78 HA HIS 78 6.019 10.361 4.129 958 HB2 HIS 78 2HB HIS 78 8.311 10.742 4.667 959 HB3 HIS 78 1HB HIS 78 8.800 10.661 2.985 960 HD1 HIS 78 1HD HIS 78 10.005 12.989 3.766 961 HD2 HIS 78 2HD HIS 78 5.866 13.058 3.365 962 HE1 HIS 78 1HE HIS 78 9.354 15.419 3.484 963 H PHE 79 H PHE 79 4.386 11.179 2.970 964 HA PHE 79 HA PHE 79 4.508 11.213 0.084 965 HB2 PHE 79 2HB PHE 79 2.393 12.193 2.020 966 HB3 PHE 79 1HB PHE 79 2.219 12.213 0.269 967 HD1 PHE 79 1HD PHE 79 2.543 10.023 3.220 968 HD2 PHE 79 2HD PHE 79 1.646 10.259 -0.932 969 HE1 PHE 79 1HE PHE 79 1.679 7.722 3.281 970 HE2 PHE 79 2HE PHE 79 0.779 7.958 -0.877 971 HZ PHE 79 HZ PHE 79 0.792 6.689 1.232 972 H SER 80 H SER 80 6.263 12.602 -0.243 973 HA SER 80 HA SER 80 6.293 15.255 0.832 974 HB2 SER 80 2HB SER 80 8.186 15.354 -1.063 975 HB3 SER 80 1HB SER 80 8.450 14.591 0.504 976 HG SER 80 HG SER 80 8.891 13.430 -1.680 977 H ASN 81 H ASN 81 4.337 14.016 -1.418 978 HA ASN 81 HA ASN 81 4.530 15.944 -3.511 979 HB2 ASN 81 2HB ASN 81 3.424 13.631 -3.618 980 HB3 ASN 81 1HB ASN 81 2.049 14.381 -2.811 981 HD21 ASN 81 1HD2 ASN 81 2.042 13.192 -5.370 982 HD22 ASN 81 2HD2 ASN 81 1.645 14.427 -6.518 983 H GLU 82 H GLU 82 4.336 18.027 -2.943 984 HA GLU 82 HA GLU 82 2.772 18.998 -0.816 985 HB2 GLU 82 2HB GLU 82 3.708 20.518 -3.261 986 HB3 GLU 82 1HB GLU 82 3.254 21.208 -1.711 987 HG2 GLU 82 2HG GLU 82 5.509 21.243 -1.487 988 HG3 GLU 82 1HG GLU 82 5.182 19.640 -0.834 989 H SER 83 H SER 83 1.869 18.038 -3.974 990 HA SER 83 HA SER 83 -0.484 19.731 -4.041 991 HB2 SER 83 2HB SER 83 0.369 17.562 -5.964 992 HB3 SER 83 1HB SER 83 -0.880 18.778 -6.237 993 HG SER 83 HG SER 83 1.721 19.600 -5.578 994 H THR 84 H THR 84 0.225 16.245 -3.685 995 HA THR 84 HA THR 84 -2.556 15.929 -2.770 996 HB THR 84 HB THR 84 -2.164 13.520 -3.875 997 HG1 THR 84 1HG THR 84 -0.260 13.741 -4.878 998 HG21 THR 84 1HG2 THR 84 -3.403 14.320 -5.832 999 HG22 THR 84 2HG2 THR 84 -3.022 15.985 -5.397 1000 HG23 THR 84 3HG2 THR 84 -4.051 15.012 -4.345 1001 H ALA 85 H ALA 85 -0.028 16.105 -1.171 1002 HA ALA 85 HA ALA 85 0.968 13.700 -0.277 1003 HB1 ALA 85 1HB ALA 85 1.489 14.808 1.831 1004 HB2 ALA 85 2HB ALA 85 0.382 16.119 1.423 1005 HB3 ALA 85 3HB ALA 85 1.834 15.859 0.457 1006 H VAL 86 H VAL 86 -1.525 15.480 1.502 1007 HA VAL 86 HA VAL 86 -2.293 13.399 3.187 1008 HB VAL 86 HB VAL 86 -3.817 15.814 2.218 1009 HG11 VAL 86 1HG1 VAL 86 -5.298 15.484 4.158 1010 HG12 VAL 86 2HG1 VAL 86 -4.502 13.943 4.483 1011 HG13 VAL 86 3HG1 VAL 86 -5.423 14.164 2.996 1012 HG21 VAL 86 1HG2 VAL 86 -1.841 16.369 3.458 1013 HG22 VAL 86 2HG2 VAL 86 -2.321 15.283 4.762 1014 HG23 VAL 86 3HG2 VAL 86 -3.275 16.726 4.419 1015 H LYS 87 H LYS 87 -3.615 14.434 0.088 1016 HA LYS 87 HA LYS 87 -5.860 12.785 -0.024 1017 HB2 LYS 87 2HB LYS 87 -4.180 13.804 -2.320 1018 HB3 LYS 87 1HB LYS 87 -5.840 13.230 -2.429 1019 HG2 LYS 87 2HG LYS 87 -6.687 15.093 -1.316 1020 HG3 LYS 87 1HG LYS 87 -5.118 15.510 -0.626 1021 HD2 LYS 87 2HD LYS 87 -4.346 15.944 -3.001 1022 HD3 LYS 87 1HD LYS 87 -6.042 15.830 -3.472 1023 HE2 LYS 87 2HE LYS 87 -6.628 17.725 -2.201 1024 HE3 LYS 87 1HE LYS 87 -5.106 17.696 -1.312 1025 HZ1 LYS 87 1HZ LYS 87 -5.174 19.447 -3.004 1026 HZ2 LYS 87 2HZ LYS 87 -5.362 18.281 -4.213 1027 HZ3 LYS 87 3HZ LYS 87 -3.933 18.333 -3.306 1028 H GLU 88 H GLU 88 -2.617 12.208 -1.436 1029 HA GLU 88 HA GLU 88 -3.282 9.611 -2.386 1030 HB2 GLU 88 2HB GLU 88 -0.588 10.877 -1.840 1031 HB3 GLU 88 1HB GLU 88 -0.821 9.346 -2.674 1032 HG2 GLU 88 2HG GLU 88 -1.962 10.429 -4.474 1033 HG3 GLU 88 1HG GLU 88 -1.973 11.961 -3.606 1034 H ARG 89 H ARG 89 -1.980 10.864 0.608 1035 HA ARG 89 HA ARG 89 -1.046 8.502 1.765 1036 HB2 ARG 89 2HB ARG 89 -0.768 10.824 2.690 1037 HB3 ARG 89 1HB ARG 89 -2.446 10.763 3.206 1038 HG2 ARG 89 2HG ARG 89 -0.578 8.621 4.102 1039 HG3 ARG 89 1HG ARG 89 -0.501 10.208 4.865 1040 HD2 ARG 89 2HD ARG 89 -2.698 8.185 4.894 1041 HD3 ARG 89 1HD ARG 89 -1.983 9.079 6.233 1042 HE ARG 89 HE ARG 89 -3.981 10.108 4.329 1043 HH11 ARG 89 1HH1 ARG 89 -2.176 10.493 7.320 1044 HH12 ARG 89 2HH1 ARG 89 -3.182 11.795 7.886 1045 HH21 ARG 89 1HH2 ARG 89 -5.309 11.774 5.113 1046 HH22 ARG 89 2HH2 ARG 89 -4.926 12.514 6.652 1047 H ASP 90 H ASP 90 -4.267 9.956 1.776 1048 HA ASP 90 HA ASP 90 -5.473 7.951 3.371 1049 HB2 ASP 90 2HB ASP 90 -6.507 10.131 1.607 1050 HB3 ASP 90 1HB ASP 90 -7.619 8.891 2.180 1051 H ALA 91 H ALA 91 -5.030 8.314 -0.110 1052 HA ALA 91 HA ALA 91 -6.737 6.247 -0.927 1053 HB1 ALA 91 1HB ALA 91 -5.755 7.921 -2.455 1054 HB2 ALA 91 2HB ALA 91 -5.507 6.266 -3.013 1055 HB3 ALA 91 3HB ALA 91 -4.182 7.150 -2.255 1056 H VAL 92 H VAL 92 -3.260 6.250 -0.198 1057 HA VAL 92 HA VAL 92 -2.902 3.457 -0.586 1058 HB VAL 92 HB VAL 92 -1.235 5.278 1.161 1059 HG11 VAL 92 1HG1 VAL 92 0.576 3.710 0.652 1060 HG12 VAL 92 2HG1 VAL 92 -0.547 2.714 -0.272 1061 HG13 VAL 92 3HG1 VAL 92 -0.766 2.907 1.467 1062 HG21 VAL 92 1HG2 VAL 92 0.181 5.607 -0.824 1063 HG22 VAL 92 2HG2 VAL 92 -1.439 6.271 -1.033 1064 HG23 VAL 92 3HG2 VAL 92 -1.008 4.740 -1.796 1065 H LYS 93 H LYS 93 -3.734 5.457 2.162 1066 HA LYS 93 HA LYS 93 -3.376 3.531 4.192 1067 HB2 LYS 93 2HB LYS 93 -3.530 5.970 4.580 1068 HB3 LYS 93 1HB LYS 93 -5.228 5.920 4.131 1069 HG2 LYS 93 2HG LYS 93 -4.683 4.005 6.200 1070 HG3 LYS 93 1HG LYS 93 -4.128 5.613 6.672 1071 HD2 LYS 93 2HD LYS 93 -6.886 4.977 5.627 1072 HD3 LYS 93 1HD LYS 93 -6.469 5.158 7.332 1073 HE2 LYS 93 2HE LYS 93 -6.273 7.403 7.189 1074 HE3 LYS 93 1HE LYS 93 -5.680 7.357 5.530 1075 HZ1 LYS 93 1HZ LYS 93 -8.091 6.632 4.984 1076 HZ2 LYS 93 2HZ LYS 93 -7.771 8.277 5.291 1077 HZ3 LYS 93 3HZ LYS 93 -8.462 7.307 6.496 1078 H ASP 94 H ASP 94 -6.325 4.682 2.582 1079 HA ASP 94 HA ASP 94 -8.036 2.818 3.838 1080 HB2 ASP 94 2HB ASP 94 -8.269 4.794 1.642 1081 HB3 ASP 94 1HB ASP 94 -9.467 3.505 1.682 1082 H LEU 95 H LEU 95 -6.238 2.722 0.838 1083 HA LEU 95 HA LEU 95 -7.601 0.396 -0.154 1084 HB2 LEU 95 2HB LEU 95 -6.264 2.147 -1.508 1085 HB3 LEU 95 1HB LEU 95 -4.843 1.250 -1.009 1086 HG LEU 95 HG LEU 95 -5.742 -0.773 -2.092 1087 HD11 LEU 95 1HD1 LEU 95 -8.119 -0.275 -1.881 1088 HD12 LEU 95 2HD1 LEU 95 -7.686 -0.607 -3.558 1089 HD13 LEU 95 3HD1 LEU 95 -7.951 1.054 -3.026 1090 HD21 LEU 95 1HD2 LEU 95 -4.241 0.677 -3.335 1091 HD22 LEU 95 2HD2 LEU 95 -5.606 1.652 -3.876 1092 HD23 LEU 95 3HD2 LEU 95 -5.454 -0.022 -4.408 1093 H LEU 96 H LEU 96 -4.846 0.997 1.911 1094 HA LEU 96 HA LEU 96 -3.808 -1.629 1.752 1095 HB2 LEU 96 2HB LEU 96 -3.414 0.676 3.556 1096 HB3 LEU 96 1HB LEU 96 -2.977 -0.909 4.177 1097 HG LEU 96 HG LEU 96 -1.884 0.446 1.721 1098 HD11 LEU 96 1HD1 LEU 96 -0.920 1.232 3.793 1099 HD12 LEU 96 2HD1 LEU 96 0.248 0.233 2.928 1100 HD13 LEU 96 3HD1 LEU 96 -0.624 -0.427 4.311 1101 HD21 LEU 96 1HD2 LEU 96 -1.530 -2.370 2.707 1102 HD22 LEU 96 2HD2 LEU 96 -0.403 -1.585 1.600 1103 HD23 LEU 96 3HD2 LEU 96 -2.084 -1.831 1.121 1104 H GLN 97 H GLN 97 -5.750 -0.087 4.407 1105 HA GLN 97 HA GLN 97 -6.408 -2.386 5.753 1106 HB2 GLN 97 2HB GLN 97 -8.728 -1.081 6.040 1107 HB3 GLN 97 1HB GLN 97 -7.248 -0.566 6.847 1108 HG2 GLN 97 2HG GLN 97 -6.969 0.802 4.614 1109 HG3 GLN 97 1HG GLN 97 -8.721 0.624 4.585 1110 HE21 GLN 97 1HE2 GLN 97 -7.148 0.703 7.614 1111 HE22 GLN 97 2HE2 GLN 97 -7.597 2.317 8.043 1112 H GLN 98 H GLN 98 -7.484 -1.391 2.636 1113 HA GLN 98 HA GLN 98 -9.704 -3.195 2.478 1114 HB2 GLN 98 2HB GLN 98 -8.315 -1.300 0.661 1115 HB3 GLN 98 1HB GLN 98 -9.240 -2.587 -0.092 1116 HG2 GLN 98 2HG GLN 98 -10.191 -0.152 0.826 1117 HG3 GLN 98 1HG GLN 98 -11.149 -1.539 0.308 1118 HE21 GLN 98 1HE2 GLN 98 -12.014 -2.910 1.845 1119 HE22 GLN 98 2HE2 GLN 98 -12.160 -2.455 3.504 1120 H LEU 99 H LEU 99 -6.398 -3.195 1.143 1121 HA LEU 99 HA LEU 99 -6.791 -5.837 0.010 1122 HB2 LEU 99 2HB LEU 99 -4.480 -3.921 -0.049 1123 HB3 LEU 99 1HB LEU 99 -4.441 -5.506 -0.802 1124 HG LEU 99 HG LEU 99 -6.583 -3.525 -1.498 1125 HD11 LEU 99 1HD1 LEU 99 -3.858 -3.750 -2.773 1126 HD12 LEU 99 2HD1 LEU 99 -4.454 -2.382 -1.832 1127 HD13 LEU 99 3HD1 LEU 99 -5.206 -2.784 -3.375 1128 HD21 LEU 99 1HD2 LEU 99 -5.320 -5.807 -3.006 1129 HD22 LEU 99 2HD2 LEU 99 -6.649 -4.793 -3.569 1130 HD23 LEU 99 3HD2 LEU 99 -6.876 -5.854 -2.178 1131 H LEU 100 H LEU 100 -4.853 -4.396 2.590 1132 HA LEU 100 HA LEU 100 -3.019 -6.301 3.165 1133 HB2 LEU 100 2HB LEU 100 -4.525 -4.415 4.908 1134 HB3 LEU 100 1HB LEU 100 -3.467 -5.597 5.656 1135 HG LEU 100 HG LEU 100 -2.583 -3.616 3.557 1136 HD11 LEU 100 1HD1 LEU 100 -3.216 -2.451 5.622 1137 HD12 LEU 100 2HD1 LEU 100 -1.472 -2.411 5.370 1138 HD13 LEU 100 3HD1 LEU 100 -2.166 -3.522 6.550 1139 HD21 LEU 100 1HD2 LEU 100 -1.262 -5.654 3.607 1140 HD22 LEU 100 2HD2 LEU 100 -1.022 -5.471 5.345 1141 HD23 LEU 100 3HD2 LEU 100 -0.335 -4.289 4.229 1142 HA PRO 101 HA PRO 101 -5.900 -8.863 6.081 1143 HB2 PRO 101 2HB PRO 101 -8.592 -8.656 5.668 1144 HB3 PRO 101 1HB PRO 101 -7.706 -7.721 6.878 1145 HG2 PRO 101 2HG PRO 101 -8.589 -6.917 4.133 1146 HG3 PRO 101 1HG PRO 101 -8.659 -5.995 5.647 1147 HD2 PRO 101 2HD PRO 101 -6.741 -5.567 3.811 1148 HD3 PRO 101 1HD PRO 101 -6.420 -5.427 5.551 1149 H LYS 102 H LYS 102 -6.984 -8.231 2.792 1150 HA LYS 102 HA LYS 102 -8.029 -10.840 2.320 1151 HB2 LYS 102 2HB LYS 102 -7.890 -8.371 0.921 1152 HB3 LYS 102 1HB LYS 102 -7.211 -9.613 -0.122 1153 HG2 LYS 102 2HG LYS 102 -9.251 -10.947 0.158 1154 HG3 LYS 102 1HG LYS 102 -9.931 -9.671 1.170 1155 HD2 LYS 102 2HD LYS 102 -9.173 -9.474 -1.743 1156 HD3 LYS 102 1HD LYS 102 -10.802 -9.448 -1.064 1157 HE2 LYS 102 2HE LYS 102 -8.646 -7.374 -0.696 1158 HE3 LYS 102 1HE LYS 102 -10.132 -7.202 -1.627 1159 HZ1 LYS 102 1HZ LYS 102 -10.128 -7.756 1.289 1160 HZ2 LYS 102 2HZ LYS 102 -11.419 -7.229 0.333 1161 HZ3 LYS 102 3HZ LYS 102 -10.125 -6.185 0.657 1162 H PHE 103 H PHE 103 -4.854 -9.538 2.332 1163 HA PHE 103 HA PHE 103 -3.892 -11.962 0.967 1164 HB2 PHE 103 2HB PHE 103 -2.670 -9.203 0.992 1165 HB3 PHE 103 1HB PHE 103 -1.871 -10.634 0.346 1166 HD1 PHE 103 1HD PHE 103 -2.731 -11.735 -1.662 1167 HD2 PHE 103 2HD PHE 103 -4.421 -8.121 -0.194 1168 HE1 PHE 103 1HE PHE 103 -3.853 -11.386 -3.823 1169 HE2 PHE 103 2HE PHE 103 -5.547 -7.763 -2.352 1170 HZ PHE 103 HZ PHE 103 -5.258 -9.397 -4.167 1171 H LYS 104 H LYS 104 -4.403 -11.225 3.899 1172 HA LYS 104 HA LYS 104 -1.818 -11.210 5.100 1173 HB2 LYS 104 2HB LYS 104 -4.451 -10.883 5.997 1174 HB3 LYS 104 1HB LYS 104 -3.864 -12.328 6.813 1175 HG2 LYS 104 2HG LYS 104 -1.998 -11.131 7.722 1176 HG3 LYS 104 1HG LYS 104 -2.411 -9.695 6.783 1177 HD2 LYS 104 2HD LYS 104 -4.577 -9.600 8.008 1178 HD3 LYS 104 1HD LYS 104 -4.005 -10.926 9.025 1179 HE2 LYS 104 2HE LYS 104 -3.636 -8.799 10.131 1180 HE3 LYS 104 1HE LYS 104 -2.096 -9.551 9.719 1181 HZ1 LYS 104 1HZ LYS 104 -3.425 -7.438 8.103 1182 HZ2 LYS 104 2HZ LYS 104 -1.877 -8.088 7.846 1183 HZ3 LYS 104 3HZ LYS 104 -2.184 -7.153 9.224 1184 H ARG 105 H ARG 105 -0.469 -12.806 4.900 1185 HA ARG 105 HA ARG 105 -1.339 -15.552 5.360 1186 HB2 ARG 105 2HB ARG 105 0.123 -14.580 2.903 1187 HB3 ARG 105 1HB ARG 105 0.143 -16.261 3.412 1188 HG2 ARG 105 2HG ARG 105 -1.781 -16.625 2.387 1189 HG3 ARG 105 1HG ARG 105 -2.559 -15.353 3.330 1190 HD2 ARG 105 2HD ARG 105 -2.770 -14.926 0.936 1191 HD3 ARG 105 1HD ARG 105 -1.798 -13.683 1.721 1192 HE ARG 105 HE ARG 105 0.027 -15.526 0.818 1193 HH11 ARG 105 1HH1 ARG 105 -2.502 -13.604 -0.693 1194 HH12 ARG 105 2HH1 ARG 105 -1.667 -13.484 -2.218 1195 HH21 ARG 105 1HH2 ARG 105 1.116 -15.348 -1.178 1196 HH22 ARG 105 2HH2 ARG 105 0.355 -14.477 -2.490 1197 H LYS 106 H LYS 106 0.659 -16.989 5.575 1198 HA LYS 106 HA LYS 106 2.476 -15.721 7.398 1199 HB2 LYS 106 2HB LYS 106 1.514 -18.164 7.390 1200 HB3 LYS 106 1HB LYS 106 2.864 -18.496 6.318 1201 HG2 LYS 106 2HG LYS 106 3.436 -17.113 8.885 1202 HG3 LYS 106 1HG LYS 106 3.025 -18.828 8.935 1203 HD2 LYS 106 2HD LYS 106 5.284 -17.546 7.394 1204 HD3 LYS 106 1HD LYS 106 5.425 -18.580 8.817 1205 HE2 LYS 106 2HE LYS 106 5.423 -20.406 7.544 1206 HE3 LYS 106 1HE LYS 106 3.902 -19.927 6.791 1207 HZ1 LYS 106 1HZ LYS 106 6.656 -19.281 5.913 1208 HZ2 LYS 106 2HZ LYS 106 5.313 -18.418 5.349 1209 HZ3 LYS 106 3HZ LYS 106 5.440 -20.080 5.045 1210 H ALA 107 H ALA 107 3.104 -14.194 5.508 1211 HA ALA 107 HA ALA 107 4.604 -13.458 3.955 1212 HB1 ALA 107 1HB ALA 107 6.061 -13.807 5.919 1213 HB2 ALA 107 2HB ALA 107 6.918 -14.002 4.390 1214 HB3 ALA 107 3HB ALA 107 6.440 -15.422 5.321 1215 H ASN 108 H ASN 108 2.924 -15.454 2.976 1216 HA ASN 108 HA ASN 108 4.549 -16.524 0.817 1217 HB2 ASN 108 2HB ASN 108 3.059 -18.192 2.810 1218 HB3 ASN 108 1HB ASN 108 3.088 -18.716 1.132 1219 HD21 ASN 108 1HD2 ASN 108 5.706 -17.766 0.546 1220 HD22 ASN 108 2HD2 ASN 108 6.823 -18.785 1.377 Start of MODEL 5 1 H ARG 390 2HT ARG 390 28.035 16.479 5.015 2 HA ARG 390 HA ARG 390 27.422 18.510 5.832 3 HB2 ARG 390 2HB ARG 390 29.957 17.747 6.154 4 HB3 ARG 390 1HB ARG 390 30.262 19.257 5.308 5 HG2 ARG 390 2HG ARG 390 30.346 19.862 7.542 6 HG3 ARG 390 1HG ARG 390 28.711 20.316 7.059 7 HD2 ARG 390 2HD ARG 390 28.118 17.904 7.876 8 HD3 ARG 390 1HD ARG 390 29.623 18.055 8.781 9 HE ARG 390 HE ARG 390 28.627 20.071 9.810 10 HH11 ARG 390 1HH1 ARG 390 26.555 17.639 8.375 11 HH12 ARG 390 2HH1 ARG 390 25.158 18.111 9.300 12 HH21 ARG 390 1HH2 ARG 390 26.793 20.659 11.068 13 HH22 ARG 390 2HH2 ARG 390 25.303 19.805 10.847 14 H ARG 391 H ARG 391 26.065 19.498 4.296 15 HA ARG 391 HA ARG 391 27.254 21.852 3.034 16 HB2 ARG 391 2HB ARG 391 25.449 19.883 1.602 17 HB3 ARG 391 1HB ARG 391 25.824 21.491 0.999 18 HG2 ARG 391 2HG ARG 391 27.821 20.861 0.219 19 HG3 ARG 391 1HG ARG 391 28.188 19.904 1.657 20 HD2 ARG 391 2HD ARG 391 26.403 19.058 -0.626 21 HD3 ARG 391 1HD ARG 391 28.056 18.509 -0.352 22 HE ARG 391 HE ARG 391 25.919 18.004 1.625 23 HH11 ARG 391 1HH1 ARG 391 28.437 16.833 -0.516 24 HH12 ARG 391 2HH1 ARG 391 28.392 15.215 0.101 25 HH21 ARG 391 1HH2 ARG 391 25.873 15.882 2.471 26 HH22 ARG 391 2HH2 ARG 391 26.925 14.667 1.805 27 H ARG 392 H ARG 392 24.052 21.182 2.063 28 HA ARG 392 HA ARG 392 23.027 23.219 3.835 29 HB2 ARG 392 2HB ARG 392 22.145 23.081 1.547 30 HB3 ARG 392 1HB ARG 392 21.609 21.430 1.835 31 HG2 ARG 392 2HG ARG 392 20.322 22.669 3.836 32 HG3 ARG 392 1HG ARG 392 20.403 23.990 2.670 33 HD2 ARG 392 2HD ARG 392 18.339 22.592 2.512 34 HD3 ARG 392 1HD ARG 392 19.266 22.699 1.016 35 HE ARG 392 HE ARG 392 19.806 20.452 1.196 36 HH11 ARG 392 1HH1 ARG 392 18.091 21.504 4.069 37 HH12 ARG 392 2HH1 ARG 392 17.786 19.888 4.623 38 HH21 ARG 392 1HH2 ARG 392 19.358 18.332 1.905 39 HH22 ARG 392 2HH2 ARG 392 18.519 18.098 3.413 40 H THR 393 H THR 393 23.122 22.479 5.891 41 HA THR 393 HA THR 393 22.405 21.439 7.786 42 HB THR 393 HB THR 393 20.752 19.417 6.312 43 HG1 THR 393 1HG THR 393 19.904 21.114 5.304 44 HG21 THR 393 1HG2 THR 393 20.305 20.990 8.853 45 HG22 THR 393 2HG2 THR 393 20.933 19.344 8.764 46 HG23 THR 393 3HG2 THR 393 19.284 19.689 8.242 47 H GLU 394 H GLU 394 22.720 19.152 5.096 48 HA GLU 394 HA GLU 394 25.203 18.115 5.929 49 HB2 GLU 394 2HB GLU 394 23.810 17.021 7.668 50 HB3 GLU 394 1HB GLU 394 22.846 16.272 6.404 51 HG2 GLU 394 2HG GLU 394 24.778 14.959 7.582 52 HG3 GLU 394 1HG GLU 394 24.474 14.763 5.858 53 H ALA 395 H ALA 395 22.164 17.297 4.278 54 HA ALA 395 HA ALA 395 23.444 15.781 2.219 55 HB1 ALA 395 1HB ALA 395 20.666 16.899 2.483 56 HB2 ALA 395 2HB ALA 395 21.200 15.241 2.763 57 HB3 ALA 395 3HB ALA 395 21.192 15.901 1.128 58 H LEU 396 H LEU 396 21.735 16.967 0.080 59 HA LEU 396 HA LEU 396 23.667 19.004 -0.770 60 HB2 LEU 396 2HB LEU 396 21.667 17.399 -2.369 61 HB3 LEU 396 1HB LEU 396 22.801 18.555 -3.040 62 HG LEU 396 HG LEU 396 23.669 16.089 -1.539 63 HD11 LEU 396 1HD1 LEU 396 23.369 16.478 -4.513 64 HD12 LEU 396 2HD1 LEU 396 22.387 15.420 -3.500 65 HD13 LEU 396 3HD1 LEU 396 24.105 15.084 -3.721 66 HD21 LEU 396 1HD2 LEU 396 25.809 16.514 -2.618 67 HD22 LEU 396 2HD2 LEU 396 25.304 17.912 -1.668 68 HD23 LEU 396 3HD2 LEU 396 25.135 17.932 -3.423 69 H GLY 397 H GLY 397 21.602 19.742 -2.890 70 HA2 GLY 397 2HA GLY 397 20.331 21.832 -1.298 71 HA3 GLY 397 1HA GLY 397 20.441 21.781 -3.054 72 H ASP 398 H ASP 398 19.236 19.408 -0.717 73 HA ASP 398 HA ASP 398 16.744 19.267 -2.239 74 HB2 ASP 398 2HB ASP 398 16.431 17.086 -1.065 75 HB3 ASP 398 1HB ASP 398 17.872 17.146 -2.071 76 H ALA 399 H ALA 399 15.351 17.945 -0.043 77 HA ALA 399 HA ALA 399 14.870 20.303 1.668 78 HB1 ALA 399 1HB ALA 399 12.514 19.736 1.651 79 HB2 ALA 399 2HB ALA 399 12.843 18.340 0.626 80 HB3 ALA 399 3HB ALA 399 13.104 19.970 0.005 81 H GLU 400 H GLU 400 14.538 19.968 3.828 82 HA GLU 400 HA GLU 400 14.414 18.927 5.860 83 HB2 GLU 400 2HB GLU 400 13.230 17.001 4.033 84 HB3 GLU 400 1HB GLU 400 14.063 16.207 5.359 85 HG2 GLU 400 2HG GLU 400 12.062 18.390 5.775 86 HG3 GLU 400 1HG GLU 400 11.622 16.685 5.674 87 H GLU 401 H GLU 401 15.292 16.534 6.805 88 HA GLU 401 HA GLU 401 17.805 15.882 5.549 89 HB2 GLU 401 2HB GLU 401 18.040 17.835 7.328 90 HB3 GLU 401 1HB GLU 401 18.076 16.475 8.444 91 HG2 GLU 401 2HG GLU 401 20.314 17.278 7.650 92 HG3 GLU 401 1HG GLU 401 20.001 15.559 7.422 93 H ASP 402 H ASP 402 15.099 14.928 6.827 94 HA ASP 402 HA ASP 402 15.680 12.216 6.851 95 HB2 ASP 402 2HB ASP 402 16.857 12.976 9.048 96 HB3 ASP 402 1HB ASP 402 15.221 13.070 9.698 97 H GLU 403 H GLU 403 13.880 10.914 7.845 98 HA GLU 403 HA GLU 403 11.335 12.323 7.393 99 HB2 GLU 403 2HB GLU 403 12.383 9.785 6.533 100 HB3 GLU 403 1HB GLU 403 10.920 9.534 7.477 101 HG2 GLU 403 2HG GLU 403 10.156 9.719 5.301 102 HG3 GLU 403 1HG GLU 403 9.873 11.319 5.983 103 H ASP 404 H ASP 404 9.605 12.015 8.839 104 HA ASP 404 HA ASP 404 10.372 11.648 11.572 105 HB2 ASP 404 2HB ASP 404 7.713 12.106 10.202 106 HB3 ASP 404 1HB ASP 404 7.842 11.862 11.939 107 H ASP 405 H ASP 405 10.693 9.668 12.401 108 HA ASP 405 HA ASP 405 9.352 7.384 11.172 109 HB2 ASP 405 2HB ASP 405 11.546 7.470 13.258 110 HB3 ASP 405 1HB ASP 405 10.898 6.007 12.527 111 H GLU 406 H GLU 406 8.642 9.481 13.595 112 HA GLU 406 HA GLU 406 7.203 7.390 15.075 113 HB2 GLU 406 2HB GLU 406 7.158 9.261 16.921 114 HB3 GLU 406 1HB GLU 406 8.544 8.197 16.757 115 HG2 GLU 406 2HG GLU 406 9.066 10.608 17.122 116 HG3 GLU 406 1HG GLU 406 9.831 9.876 15.718 117 H ASP 407 H ASP 407 5.370 8.592 16.402 118 HA ASP 407 HA ASP 407 3.334 9.429 16.315 119 HB2 ASP 407 2HB ASP 407 4.613 11.532 16.370 120 HB3 ASP 407 1HB ASP 407 4.493 11.594 14.616 121 H PHE 408 H PHE 408 3.124 7.397 14.936 122 HA PHE 408 HA PHE 408 1.700 8.183 12.481 123 HB2 PHE 408 2HB PHE 408 3.275 5.646 13.032 124 HB3 PHE 408 1HB PHE 408 2.101 5.770 11.746 125 HD1 PHE 408 1HD PHE 408 2.755 6.450 9.663 126 HD2 PHE 408 2HD PHE 408 5.219 7.368 13.001 127 HE1 PHE 408 1HE PHE 408 4.473 7.319 8.146 128 HE2 PHE 408 2HE PHE 408 6.940 8.242 11.487 129 HZ PHE 408 HZ PHE 408 6.559 8.226 9.059 130 H VAL 409 H VAL 409 -0.338 7.778 12.527 131 HA VAL 409 HA VAL 409 -1.430 6.464 14.850 132 HB VAL 409 HB VAL 409 -3.607 7.342 13.828 133 HG11 VAL 409 1HG1 VAL 409 -3.015 9.576 14.552 134 HG12 VAL 409 2HG1 VAL 409 -1.307 9.163 14.376 135 HG13 VAL 409 3HG1 VAL 409 -2.290 8.356 15.601 136 HG21 VAL 409 1HG2 VAL 409 -3.358 9.161 12.250 137 HG22 VAL 409 2HG2 VAL 409 -2.888 7.616 11.540 138 HG23 VAL 409 3HG2 VAL 409 -1.651 8.758 12.066 139 H GLU 410 H GLU 410 -1.944 4.464 14.879 140 HA GLU 410 HA GLU 410 -1.355 2.760 12.807 141 HB2 GLU 410 2HB GLU 410 -1.639 2.226 15.289 142 HB3 GLU 410 1HB GLU 410 -3.354 2.038 14.933 143 HG2 GLU 410 2HG GLU 410 -2.953 -0.043 14.299 144 HG3 GLU 410 1HG GLU 410 -1.986 0.589 12.966 145 H VAL 411 H VAL 411 -2.326 2.166 11.083 146 HA VAL 411 HA VAL 411 -5.087 2.963 10.587 147 HB VAL 411 HB VAL 411 -3.141 1.889 8.527 148 HG11 VAL 411 1HG1 VAL 411 -4.600 3.122 7.001 149 HG12 VAL 411 2HG1 VAL 411 -5.580 3.666 8.363 150 HG13 VAL 411 3HG1 VAL 411 -5.527 1.954 7.941 151 HG21 VAL 411 1HG2 VAL 411 -2.088 3.741 9.589 152 HG22 VAL 411 2HG2 VAL 411 -3.538 4.722 9.364 153 HG23 VAL 411 3HG2 VAL 411 -2.623 4.161 7.962 154 HA PRO 412 HA PRO 412 -5.965 -1.370 11.414 155 HB2 PRO 412 2HB PRO 412 -8.638 -1.088 11.457 156 HB3 PRO 412 1HB PRO 412 -7.622 -0.507 12.783 157 HG2 PRO 412 2HG PRO 412 -8.768 1.034 10.472 158 HG3 PRO 412 1HG PRO 412 -8.784 1.446 12.199 159 HD2 PRO 412 2HD PRO 412 -6.987 2.498 10.492 160 HD3 PRO 412 1HD PRO 412 -6.580 2.135 12.182 161 H GLU 413 H GLU 413 -7.470 -2.982 10.409 162 HA GLU 413 HA GLU 413 -7.347 -2.762 7.509 163 HB2 GLU 413 2HB GLU 413 -8.407 -5.164 8.949 164 HB3 GLU 413 1HB GLU 413 -7.484 -5.082 7.455 165 HG2 GLU 413 2HG GLU 413 -6.001 -4.121 9.766 166 HG3 GLU 413 1HG GLU 413 -6.516 -5.801 9.914 167 H LYS 414 H LYS 414 -9.224 -3.178 6.180 168 HA LYS 414 HA LYS 414 -11.746 -2.718 7.616 169 HB2 LYS 414 2HB LYS 414 -10.629 -1.406 5.228 170 HB3 LYS 414 1HB LYS 414 -12.353 -1.762 5.190 171 HG2 LYS 414 2HG LYS 414 -12.831 -0.156 6.659 172 HG3 LYS 414 1HG LYS 414 -11.478 -0.588 7.706 173 HD2 LYS 414 2HD LYS 414 -10.794 1.480 7.022 174 HD3 LYS 414 1HD LYS 414 -10.077 0.487 5.751 175 HE2 LYS 414 2HE LYS 414 -11.619 1.131 4.183 176 HE3 LYS 414 1HE LYS 414 -12.841 1.534 5.390 177 HZ1 LYS 414 1HZ LYS 414 -11.479 3.398 4.112 178 HZ2 LYS 414 2HZ LYS 414 -10.379 3.124 5.371 179 HZ3 LYS 414 3HZ LYS 414 -11.964 3.595 5.722 180 H GLU 415 H GLU 415 -10.316 -4.146 4.722 181 HA GLU 415 HA GLU 415 -10.877 -5.888 3.404 182 HB2 GLU 415 2HB GLU 415 -10.684 -7.042 5.632 183 HB3 GLU 415 1HB GLU 415 -12.436 -6.950 5.754 184 HG2 GLU 415 2HG GLU 415 -11.360 -9.116 4.879 185 HG3 GLU 415 1HG GLU 415 -12.771 -8.468 4.043 186 H GLY 416 H GLY 416 -13.858 -5.624 5.319 187 HA2 GLY 416 2HA GLY 416 -15.458 -5.901 2.902 188 HA3 GLY 416 1HA GLY 416 -16.059 -5.856 4.557 189 H TYR 417 H TYR 417 -14.361 -3.811 2.261 190 HA TYR 417 HA TYR 417 -16.163 -1.591 2.894 191 HB2 TYR 417 2HB TYR 417 -14.200 -1.267 4.278 192 HB3 TYR 417 1HB TYR 417 -13.137 -1.557 2.911 193 HD1 TYR 417 1HD TYR 417 -15.637 0.811 4.273 194 HD2 TYR 417 2HD TYR 417 -12.419 0.212 1.558 195 HE1 TYR 417 1HE TYR 417 -15.515 3.230 3.891 196 HE2 TYR 417 2HE TYR 417 -12.287 2.629 1.160 197 HH TYR 417 HH TYR 417 -13.973 4.624 1.356 198 H GLU 418 H GLU 418 -16.335 -0.054 1.161 199 HA GLU 418 HA GLU 418 -15.229 -1.042 -1.383 200 HB2 GLU 418 2HB GLU 418 -17.422 0.404 -2.146 201 HB3 GLU 418 1HB GLU 418 -17.378 -1.343 -1.972 202 HG2 GLU 418 2HG GLU 418 -19.330 -0.469 -0.882 203 HG3 GLU 418 1HG GLU 418 -18.223 -1.115 0.327 204 HA PRO 419 HA PRO 419 -13.417 3.013 -1.517 205 HB2 PRO 419 2HB PRO 419 -12.458 2.388 -4.175 206 HB3 PRO 419 1HB PRO 419 -11.541 2.486 -2.671 207 HG2 PRO 419 2HG PRO 419 -11.983 0.155 -4.035 208 HG3 PRO 419 1HG PRO 419 -11.685 0.238 -2.290 209 HD2 PRO 419 2HD PRO 419 -14.274 -0.063 -3.762 210 HD3 PRO 419 1HD PRO 419 -13.733 -0.841 -2.258 211 H HIS 420 H HIS 420 -15.756 3.719 -1.727 212 HA HIS 420 HA HIS 420 -16.774 4.193 -4.367 213 HB2 HIS 420 2HB HIS 420 -18.472 5.625 -3.162 214 HB3 HIS 420 1HB HIS 420 -18.442 3.926 -2.714 215 HD1 HIS 420 1HD HIS 420 -18.292 3.454 -0.222 216 HD2 HIS 420 2HD HIS 420 -17.121 7.331 -1.224 217 HE1 HIS 420 1HE HIS 420 -17.901 4.680 1.958 218 H ILE 421 H ILE 421 -17.679 6.456 -4.719 219 HA ILE 421 HA ILE 421 -15.467 8.334 -4.500 220 HB ILE 421 HB ILE 421 -15.480 8.434 -6.711 221 HG12 ILE 421 2HG1 ILE 421 -17.573 9.467 -7.845 222 HG13 ILE 421 1HG1 ILE 421 -18.159 9.676 -6.197 223 HG21 ILE 421 1HG2 ILE 421 -18.094 6.945 -6.726 224 HG22 ILE 421 2HG2 ILE 421 -16.480 6.237 -6.807 225 HG23 ILE 421 3HG2 ILE 421 -17.071 7.241 -8.132 226 HD11 ILE 421 1HD1 ILE 421 -17.113 11.697 -6.923 227 HD12 ILE 421 2HD1 ILE 421 -15.649 10.826 -7.383 228 HD13 ILE 421 3HD1 ILE 421 -16.108 10.948 -5.684 229 HA PRO 422 HA PRO 422 -19.492 10.923 -3.742 230 HB2 PRO 422 2HB PRO 422 -21.505 8.942 -2.960 231 HB3 PRO 422 1HB PRO 422 -21.628 10.249 -4.140 232 HG2 PRO 422 2HG PRO 422 -21.547 7.650 -4.865 233 HG3 PRO 422 1HG PRO 422 -20.860 8.938 -5.870 234 HD2 PRO 422 2HD PRO 422 -19.465 7.022 -4.035 235 HD3 PRO 422 1HD PRO 422 -18.977 7.602 -5.641 236 H ASP 423 H ASP 423 -18.416 11.526 -1.865 237 HA ASP 423 HA ASP 423 -18.324 9.899 0.458 238 HB2 ASP 423 2HB ASP 423 -16.658 11.608 0.263 239 HB3 ASP 423 1HB ASP 423 -17.879 12.862 0.065 240 H HIS 424 H HIS 424 -19.781 9.587 1.970 241 HA HIS 424 HA HIS 424 -21.896 11.512 2.440 242 HB2 HIS 424 2HB HIS 424 -23.679 9.800 2.201 243 HB3 HIS 424 1HB HIS 424 -22.875 10.149 0.677 244 HD1 HIS 424 1HD HIS 424 -20.874 8.247 0.092 245 HD2 HIS 424 2HD HIS 424 -23.931 7.197 2.698 246 HE1 HIS 424 1HE HIS 424 -20.900 5.719 0.182 247 H LEU 425 H LEU 425 -19.548 10.318 3.805 248 HA LEU 425 HA LEU 425 -20.847 8.843 5.971 249 HB2 LEU 425 2HB LEU 425 -17.917 9.316 5.439 250 HB3 LEU 425 1HB LEU 425 -18.567 8.319 6.728 251 HG LEU 425 HG LEU 425 -19.060 7.749 3.807 252 HD11 LEU 425 1HD1 LEU 425 -16.653 7.678 4.291 253 HD12 LEU 425 2HD1 LEU 425 -17.309 6.077 3.949 254 HD13 LEU 425 3HD1 LEU 425 -16.963 6.551 5.612 255 HD21 LEU 425 1HD2 LEU 425 -19.305 6.006 6.257 256 HD22 LEU 425 2HD2 LEU 425 -19.703 5.557 4.598 257 HD23 LEU 425 3HD2 LEU 425 -20.651 6.790 5.430 258 H ARG 426 H ARG 426 -20.583 11.857 5.266 259 HA ARG 426 HA ARG 426 -20.893 12.810 7.902 260 HB2 ARG 426 2HB ARG 426 -18.912 14.338 7.965 261 HB3 ARG 426 1HB ARG 426 -18.500 12.637 8.113 262 HG2 ARG 426 2HG ARG 426 -16.929 13.158 6.599 263 HG3 ARG 426 1HG ARG 426 -18.250 12.947 5.451 264 HD2 ARG 426 2HD ARG 426 -18.550 15.560 6.242 265 HD3 ARG 426 1HD ARG 426 -16.797 15.361 6.224 266 HE ARG 426 HE ARG 426 -17.604 14.264 3.861 267 HH11 ARG 426 1HH1 ARG 426 -17.989 17.423 5.376 268 HH12 ARG 426 2HH1 ARG 426 -18.204 18.246 3.848 269 HH21 ARG 426 1HH2 ARG 426 -17.887 15.339 1.909 270 HH22 ARG 426 2HH2 ARG 426 -18.195 17.059 1.879 271 HA PRO 427 HA PRO 427 -22.846 15.919 5.414 272 HB2 PRO 427 2HB PRO 427 -23.105 17.583 7.786 273 HB3 PRO 427 1HB PRO 427 -24.361 16.700 6.916 274 HG2 PRO 427 2HG PRO 427 -23.528 16.021 9.415 275 HG3 PRO 427 1HG PRO 427 -24.163 14.846 8.249 276 HD2 PRO 427 2HD PRO 427 -21.319 15.447 8.977 277 HD3 PRO 427 1HD PRO 427 -22.099 13.878 8.684 278 H GLU 428 H GLU 428 -22.588 18.252 4.888 279 HA GLU 428 HA GLU 428 -19.804 18.946 4.824 280 HB2 GLU 428 2HB GLU 428 -22.283 20.267 3.717 281 HB3 GLU 428 1HB GLU 428 -20.682 20.976 3.564 282 HG2 GLU 428 2HG GLU 428 -21.451 18.259 2.525 283 HG3 GLU 428 1HG GLU 428 -21.430 19.734 1.561 284 H TYR 429 H TYR 429 -19.055 19.586 6.789 285 HA TYR 429 HA TYR 429 -20.620 21.496 8.326 286 HB2 TYR 429 2HB TYR 429 -17.982 20.139 8.916 287 HB3 TYR 429 1HB TYR 429 -18.772 21.274 10.005 288 HD1 TYR 429 1HD TYR 429 -21.408 20.608 10.350 289 HD2 TYR 429 2HD TYR 429 -18.224 17.929 9.470 290 HE1 TYR 429 1HE TYR 429 -22.692 18.764 11.348 291 HE2 TYR 429 2HE TYR 429 -19.499 16.077 10.463 292 HH TYR 429 HH TYR 429 -21.335 15.808 12.156 293 H GLY 430 H GLY 430 -17.512 21.294 6.670 294 HA2 GLY 430 2HA GLY 430 -16.722 23.174 5.374 295 HA3 GLY 430 1HA GLY 430 -17.487 24.243 6.540 296 H LEU 431 H LEU 431 -15.871 21.557 7.875 297 HA LEU 431 HA LEU 431 -13.508 23.228 8.476 298 HB2 LEU 431 2HB LEU 431 -14.902 21.323 10.362 299 HB3 LEU 431 1HB LEU 431 -13.459 22.251 10.722 300 HG LEU 431 HG LEU 431 -16.123 23.508 10.069 301 HD11 LEU 431 1HD1 LEU 431 -14.891 23.045 12.781 302 HD12 LEU 431 2HD1 LEU 431 -16.252 22.142 12.116 303 HD13 LEU 431 3HD1 LEU 431 -16.413 23.868 12.439 304 HD21 LEU 431 1HD2 LEU 431 -15.100 25.500 11.082 305 HD22 LEU 431 2HD2 LEU 431 -14.214 24.951 9.660 306 HD23 LEU 431 3HD2 LEU 431 -13.587 24.613 11.273 307 H GLU 432 H GLU 432 -14.729 20.378 7.231 308 HA GLU 432 HA GLU 432 -12.548 18.630 7.878 309 HB2 GLU 432 2HB GLU 432 -14.553 18.256 5.656 310 HB3 GLU 432 1HB GLU 432 -13.658 17.017 6.524 311 HG2 GLU 432 2HG GLU 432 -15.635 16.784 7.583 312 HG3 GLU 432 1HG GLU 432 -14.976 18.079 8.581 313 H ALA 433 H ALA 433 -11.032 20.444 7.101 314 HA ALA 433 HA ALA 433 -10.600 20.348 4.207 315 HB1 ALA 433 1HB ALA 433 -9.004 22.179 4.590 316 HB2 ALA 433 2HB ALA 433 -9.320 22.080 6.322 317 HB3 ALA 433 3HB ALA 433 -10.608 22.559 5.217 318 H ALA 434 H ALA 434 -9.984 18.035 4.525 319 HA ALA 434 HA ALA 434 -7.099 17.852 4.734 320 HB1 ALA 434 1HB ALA 434 -7.164 15.930 6.263 321 HB2 ALA 434 2HB ALA 434 -8.903 16.150 6.456 322 HB3 ALA 434 3HB ALA 434 -7.789 17.394 7.023 323 H MET 1 2HT MET 1 2.025 -9.677 -10.305 324 HA MET 1 HA MET 1 0.398 -12.125 -10.240 325 HB2 MET 1 2HB MET 1 0.347 -10.920 -12.502 326 HB3 MET 1 1HB MET 1 2.068 -11.263 -12.599 327 HG2 MET 1 2HG MET 1 0.794 -12.906 -13.832 328 HG3 MET 1 1HG MET 1 1.606 -13.654 -12.460 329 HE1 MET 1 1HE MET 1 -2.874 -12.545 -12.316 330 HE2 MET 1 2HE MET 1 -1.869 -12.193 -13.722 331 HE3 MET 1 3HE MET 1 -1.550 -11.386 -12.186 332 H ALA 2 H ALA 2 3.428 -11.712 -11.902 333 HA ALA 2 HA ALA 2 5.124 -12.404 -9.711 334 HB1 ALA 2 1HB ALA 2 4.618 -14.556 -11.772 335 HB2 ALA 2 2HB ALA 2 4.031 -14.589 -10.110 336 HB3 ALA 2 3HB ALA 2 5.764 -14.632 -10.433 337 H THR 3 H THR 3 5.311 -10.305 -11.297 338 HA THR 3 HA THR 3 7.556 -10.937 -13.110 339 HB THR 3 HB THR 3 6.092 -8.579 -13.936 340 HG1 THR 3 1HG THR 3 4.240 -9.604 -13.220 341 HG21 THR 3 1HG2 THR 3 6.140 -9.714 -16.106 342 HG22 THR 3 2HG2 THR 3 6.694 -11.193 -15.322 343 HG23 THR 3 3HG2 THR 3 7.720 -9.759 -15.323 344 H SER 4 H SER 4 6.957 -9.636 -10.291 345 HA SER 4 HA SER 4 8.070 -8.180 -8.944 346 HB2 SER 4 2HB SER 4 9.644 -7.299 -11.383 347 HB3 SER 4 1HB SER 4 10.044 -6.974 -9.695 348 HG SER 4 HG SER 4 9.863 -9.561 -10.851 349 H SER 5 H SER 5 7.675 -6.626 -12.128 350 HA SER 5 HA SER 5 6.426 -4.324 -10.876 351 HB2 SER 5 2HB SER 5 6.777 -4.839 -13.837 352 HB3 SER 5 1HB SER 5 6.559 -3.286 -13.030 353 HG SER 5 HG SER 5 8.667 -3.241 -13.086 354 H GLU 6 H GLU 6 4.736 -5.746 -10.033 355 HA GLU 6 HA GLU 6 2.936 -7.084 -11.791 356 HB2 GLU 6 2HB GLU 6 2.262 -6.337 -8.970 357 HB3 GLU 6 1HB GLU 6 1.822 -7.781 -9.870 358 HG2 GLU 6 2HG GLU 6 4.617 -7.138 -8.967 359 HG3 GLU 6 1HG GLU 6 3.490 -8.152 -8.069 360 H GLU 7 H GLU 7 0.521 -6.681 -11.300 361 HA GLU 7 HA GLU 7 -0.318 -4.412 -12.623 362 HB2 GLU 7 2HB GLU 7 -1.902 -5.957 -10.559 363 HB3 GLU 7 1HB GLU 7 -2.557 -4.972 -11.858 364 HG2 GLU 7 2HG GLU 7 -2.787 -7.003 -12.821 365 HG3 GLU 7 1HG GLU 7 -1.141 -6.655 -13.340 366 H VAL 8 H VAL 8 0.087 -2.393 -12.021 367 HA VAL 8 HA VAL 8 0.235 -1.627 -9.246 368 HB VAL 8 HB VAL 8 0.301 0.217 -11.636 369 HG11 VAL 8 1HG1 VAL 8 1.601 1.656 -10.145 370 HG12 VAL 8 2HG1 VAL 8 1.428 0.471 -8.851 371 HG13 VAL 8 3HG1 VAL 8 0.005 1.304 -9.480 372 HG21 VAL 8 1HG2 VAL 8 1.962 -1.595 -11.895 373 HG22 VAL 8 2HG2 VAL 8 2.651 -1.152 -10.332 374 HG23 VAL 8 3HG2 VAL 8 2.705 -0.011 -11.675 375 H LEU 9 H LEU 9 -1.595 -1.423 -8.170 376 HA LEU 9 HA LEU 9 -4.046 -0.623 -9.490 377 HB2 LEU 9 2HB LEU 9 -3.606 -1.176 -6.559 378 HB3 LEU 9 1HB LEU 9 -5.137 -1.136 -7.412 379 HG LEU 9 HG LEU 9 -2.966 -3.204 -7.780 380 HD11 LEU 9 1HD1 LEU 9 -5.687 -3.397 -6.498 381 HD12 LEU 9 2HD1 LEU 9 -4.140 -3.403 -5.651 382 HD13 LEU 9 3HD1 LEU 9 -4.554 -4.728 -6.737 383 HD21 LEU 9 1HD2 LEU 9 -4.568 -4.365 -9.199 384 HD22 LEU 9 2HD2 LEU 9 -4.195 -2.771 -9.855 385 HD23 LEU 9 3HD2 LEU 9 -5.717 -3.042 -9.007 386 H LEU 10 H LEU 10 -1.648 0.731 -7.324 387 HA LEU 10 HA LEU 10 -3.078 3.303 -7.523 388 HB2 LEU 10 2HB LEU 10 -3.384 2.076 -5.298 389 HB3 LEU 10 1HB LEU 10 -1.699 2.466 -4.990 390 HG LEU 10 HG LEU 10 -2.341 4.899 -5.388 391 HD11 LEU 10 1HD1 LEU 10 -4.487 4.496 -6.484 392 HD12 LEU 10 2HD1 LEU 10 -4.672 5.491 -5.039 393 HD13 LEU 10 3HD1 LEU 10 -5.112 3.783 -4.996 394 HD21 LEU 10 1HD2 LEU 10 -3.166 5.167 -3.110 395 HD22 LEU 10 2HD2 LEU 10 -1.868 3.974 -3.186 396 HD23 LEU 10 3HD2 LEU 10 -3.545 3.445 -3.042 397 H ILE 11 H ILE 11 -1.837 5.025 -7.957 398 HA ILE 11 HA ILE 11 1.084 4.666 -7.842 399 HB ILE 11 HB ILE 11 -0.482 6.166 -9.952 400 HG12 ILE 11 2HG1 ILE 11 1.214 3.666 -10.146 401 HG13 ILE 11 1HG1 ILE 11 -0.543 3.718 -10.225 402 HG21 ILE 11 1HG2 ILE 11 1.607 7.299 -9.402 403 HG22 ILE 11 2HG2 ILE 11 1.686 6.577 -11.010 404 HG23 ILE 11 3HG2 ILE 11 2.498 5.797 -9.651 405 HD11 ILE 11 1HD1 ILE 11 0.451 3.490 -12.431 406 HD12 ILE 11 2HD1 ILE 11 1.343 4.993 -12.192 407 HD13 ILE 11 3HD1 ILE 11 -0.419 5.017 -12.279 408 H VAL 12 H VAL 12 1.798 5.888 -6.238 409 HA VAL 12 HA VAL 12 0.679 8.599 -5.882 410 HB VAL 12 HB VAL 12 2.156 6.866 -3.883 411 HG11 VAL 12 1HG1 VAL 12 0.893 9.585 -3.541 412 HG12 VAL 12 2HG1 VAL 12 2.624 9.246 -3.574 413 HG13 VAL 12 3HG1 VAL 12 1.625 8.614 -2.264 414 HG21 VAL 12 1HG2 VAL 12 -0.115 6.087 -4.321 415 HG22 VAL 12 2HG2 VAL 12 -0.739 7.704 -4.001 416 HG23 VAL 12 3HG2 VAL 12 0.017 6.777 -2.704 417 H LYS 13 H LYS 13 2.029 10.289 -6.251 418 HA LYS 13 HA LYS 13 4.776 9.600 -7.003 419 HB2 LYS 13 2HB LYS 13 2.876 11.719 -7.841 420 HB3 LYS 13 1HB LYS 13 4.587 12.125 -7.845 421 HG2 LYS 13 2HG LYS 13 3.242 9.899 -9.363 422 HG3 LYS 13 1HG LYS 13 3.987 11.356 -10.026 423 HD2 LYS 13 2HD LYS 13 6.170 10.615 -9.199 424 HD3 LYS 13 1HD LYS 13 5.425 9.164 -8.529 425 HE2 LYS 13 2HE LYS 13 4.776 8.456 -10.777 426 HE3 LYS 13 1HE LYS 13 5.503 9.916 -11.451 427 HZ1 LYS 13 1HZ LYS 13 6.822 7.553 -10.288 428 HZ2 LYS 13 2HZ LYS 13 7.608 9.059 -10.226 429 HZ3 LYS 13 3HZ LYS 13 7.178 8.388 -11.718 430 H LYS 14 H LYS 14 6.420 11.296 -6.595 431 HA LYS 14 HA LYS 14 7.821 12.193 -5.076 432 HB2 LYS 14 2HB LYS 14 5.312 13.725 -5.005 433 HB3 LYS 14 1HB LYS 14 6.470 14.076 -3.726 434 HG2 LYS 14 2HG LYS 14 8.172 14.563 -5.406 435 HG3 LYS 14 1HG LYS 14 7.018 14.184 -6.687 436 HD2 LYS 14 2HD LYS 14 6.277 16.278 -6.639 437 HD3 LYS 14 1HD LYS 14 5.812 16.077 -4.948 438 HE2 LYS 14 2HE LYS 14 8.635 16.709 -5.757 439 HE3 LYS 14 1HE LYS 14 7.431 17.974 -5.516 440 HZ1 LYS 14 1HZ LYS 14 7.327 16.264 -3.312 441 HZ2 LYS 14 2HZ LYS 14 7.821 17.882 -3.353 442 HZ3 LYS 14 3HZ LYS 14 8.955 16.639 -3.581 443 H VAL 15 H VAL 15 7.565 9.944 -4.060 444 HA VAL 15 HA VAL 15 6.687 10.267 -1.259 445 HB VAL 15 HB VAL 15 6.922 7.713 -2.871 446 HG11 VAL 15 1HG1 VAL 15 7.551 7.247 -0.605 447 HG12 VAL 15 2HG1 VAL 15 5.909 6.652 -0.853 448 HG13 VAL 15 3HG1 VAL 15 6.177 8.163 0.016 449 HG21 VAL 15 1HG2 VAL 15 4.507 7.572 -2.610 450 HG22 VAL 15 2HG2 VAL 15 4.961 9.063 -3.435 451 HG23 VAL 15 3HG2 VAL 15 4.500 9.101 -1.732 452 H ARG 16 H ARG 16 8.286 10.321 0.179 453 HA ARG 16 HA ARG 16 10.958 9.565 -0.741 454 HB2 ARG 16 2HB ARG 16 9.969 11.453 1.360 455 HB3 ARG 16 1HB ARG 16 11.624 10.860 1.395 456 HG2 ARG 16 2HG ARG 16 12.000 11.754 -0.836 457 HG3 ARG 16 1HG ARG 16 10.334 12.335 -0.888 458 HD2 ARG 16 2HD ARG 16 10.824 13.713 1.126 459 HD3 ARG 16 1HD ARG 16 12.515 13.223 0.992 460 HE ARG 16 HE ARG 16 12.231 14.211 -1.399 461 HH11 ARG 16 1HH1 ARG 16 10.857 15.479 1.563 462 HH12 ARG 16 2HH1 ARG 16 10.780 17.106 0.974 463 HH21 ARG 16 1HH2 ARG 16 12.155 16.297 -2.176 464 HH22 ARG 16 2HH2 ARG 16 11.541 17.585 -1.181 465 H GLN 17 H GLN 17 12.132 8.066 0.136 466 HA GLN 17 HA GLN 17 11.177 6.731 2.583 467 HB2 GLN 17 2HB GLN 17 11.504 5.601 0.084 468 HB3 GLN 17 1HB GLN 17 13.044 5.252 0.854 469 HG2 GLN 17 2HG GLN 17 10.441 4.630 2.195 470 HG3 GLN 17 1HG GLN 17 11.184 3.522 1.045 471 HE21 GLN 17 1HE2 GLN 17 10.652 3.309 3.934 472 HE22 GLN 17 2HE2 GLN 17 12.175 2.905 4.645 473 H LYS 18 H LYS 18 12.407 7.656 4.129 474 HA LYS 18 HA LYS 18 14.147 8.558 5.240 475 HB2 LYS 18 2HB LYS 18 15.091 6.045 4.046 476 HB3 LYS 18 1HB LYS 18 16.339 7.091 4.721 477 HG2 LYS 18 2HG LYS 18 13.893 6.128 6.200 478 HG3 LYS 18 1HG LYS 18 15.499 5.402 6.319 479 HD2 LYS 18 2HD LYS 18 16.387 7.237 7.430 480 HD3 LYS 18 1HD LYS 18 15.129 8.328 6.846 481 HE2 LYS 18 2HE LYS 18 13.494 7.161 8.276 482 HE3 LYS 18 1HE LYS 18 14.789 6.136 8.889 483 HZ1 LYS 18 1HZ LYS 18 15.796 7.955 9.953 484 HZ2 LYS 18 2HZ LYS 18 14.147 8.107 10.302 485 HZ3 LYS 18 3HZ LYS 18 14.868 9.093 9.116 486 H LYS 19 H LYS 19 13.685 10.240 3.493 487 HA LYS 19 HA LYS 19 14.410 12.006 2.353 488 HB2 LYS 19 2HB LYS 19 16.798 10.988 3.673 489 HB3 LYS 19 1HB LYS 19 17.090 12.140 2.370 490 HG2 LYS 19 2HG LYS 19 15.224 12.605 4.687 491 HG3 LYS 19 1HG LYS 19 16.897 13.165 4.626 492 HD2 LYS 19 2HD LYS 19 15.444 13.924 2.235 493 HD3 LYS 19 1HD LYS 19 14.645 14.520 3.693 494 HE2 LYS 19 2HE LYS 19 16.286 16.103 2.789 495 HE3 LYS 19 1HE LYS 19 16.657 15.582 4.429 496 HZ1 LYS 19 1HZ LYS 19 18.154 15.228 1.993 497 HZ2 LYS 19 2HZ LYS 19 18.033 13.817 2.929 498 HZ3 LYS 19 3HZ LYS 19 18.689 15.226 3.611 499 H GLN 20 H GLN 20 14.179 9.359 0.957 500 HA GLN 20 HA GLN 20 15.831 10.053 -1.387 501 HB2 GLN 20 2HB GLN 20 14.534 7.416 -0.657 502 HB3 GLN 20 1HB GLN 20 15.396 7.725 -2.158 503 HG2 GLN 20 2HG GLN 20 17.458 8.024 -0.984 504 HG3 GLN 20 1HG GLN 20 16.635 7.937 0.573 505 HE21 GLN 20 1HE2 GLN 20 15.801 5.946 1.265 506 HE22 GLN 20 2HE2 GLN 20 16.405 4.454 0.632 507 H ASP 21 H ASP 21 14.718 11.111 -2.913 508 HA ASP 21 HA ASP 21 11.855 11.218 -2.851 509 HB2 ASP 21 2HB ASP 21 13.976 12.727 -4.082 510 HB3 ASP 21 1HB ASP 21 12.748 12.337 -5.281 511 H GLY 22 H GLY 22 10.478 9.927 -3.827 512 HA2 GLY 22 2HA GLY 22 11.064 8.762 -6.401 513 HA3 GLY 22 1HA GLY 22 10.991 7.597 -5.086 514 H ALA 23 H ALA 23 9.172 6.539 -5.760 515 HA ALA 23 HA ALA 23 6.672 7.943 -5.265 516 HB1 ALA 23 1HB ALA 23 7.174 6.509 -7.870 517 HB2 ALA 23 2HB ALA 23 7.064 8.258 -7.669 518 HB3 ALA 23 3HB ALA 23 5.655 7.243 -7.357 519 H LEU 24 H LEU 24 4.975 6.588 -4.716 520 HA LEU 24 HA LEU 24 5.796 3.845 -4.047 521 HB2 LEU 24 2HB LEU 24 5.105 5.409 -2.201 522 HB3 LEU 24 1HB LEU 24 3.496 5.413 -2.900 523 HG LEU 24 HG LEU 24 3.608 2.850 -2.642 524 HD11 LEU 24 1HD1 LEU 24 5.754 3.669 -0.699 525 HD12 LEU 24 2HD1 LEU 24 5.976 2.687 -2.148 526 HD13 LEU 24 3HD1 LEU 24 5.010 2.074 -0.805 527 HD21 LEU 24 1HD2 LEU 24 2.082 4.182 -1.363 528 HD22 LEU 24 2HD2 LEU 24 3.377 4.725 -0.296 529 HD23 LEU 24 3HD2 LEU 24 2.863 3.038 -0.271 530 H TYR 25 H TYR 25 4.841 2.194 -5.010 531 HA TYR 25 HA TYR 25 2.392 2.729 -6.559 532 HB2 TYR 25 2HB TYR 25 4.587 0.771 -7.267 533 HB3 TYR 25 1HB TYR 25 3.164 1.146 -8.232 534 HD1 TYR 25 1HD TYR 25 2.983 3.356 -9.356 535 HD2 TYR 25 2HD TYR 25 6.525 2.172 -7.317 536 HE1 TYR 25 1HE TYR 25 4.239 5.121 -10.523 537 HE2 TYR 25 2HE TYR 25 7.788 3.932 -8.477 538 HH TYR 25 HH TYR 25 7.658 5.267 -10.496 539 H LEU 26 H LEU 26 0.721 1.747 -5.618 540 HA LEU 26 HA LEU 26 1.105 -0.587 -3.958 541 HB2 LEU 26 2HB LEU 26 -1.420 0.823 -4.825 542 HB3 LEU 26 1HB LEU 26 -1.381 -0.550 -3.738 543 HG LEU 26 HG LEU 26 -0.594 2.274 -3.246 544 HD11 LEU 26 1HD1 LEU 26 -1.747 1.840 -1.123 545 HD12 LEU 26 2HD1 LEU 26 -2.012 0.169 -1.623 546 HD13 LEU 26 3HD1 LEU 26 -2.769 1.488 -2.516 547 HD21 LEU 26 1HD2 LEU 26 0.672 1.621 -1.268 548 HD22 LEU 26 2HD2 LEU 26 1.441 1.061 -2.753 549 HD23 LEU 26 3HD2 LEU 26 0.539 -0.071 -1.746 550 H MET 27 H MET 27 0.917 -2.647 -4.620 551 HA MET 27 HA MET 27 -0.013 -3.042 -7.385 552 HB2 MET 27 2HB MET 27 1.708 -5.064 -6.061 553 HB3 MET 27 1HB MET 27 1.624 -4.556 -7.744 554 HG2 MET 27 2HG MET 27 2.665 -2.366 -6.946 555 HG3 MET 27 1HG MET 27 3.059 -3.247 -5.472 556 HE1 MET 27 1HE MET 27 4.411 -2.074 -8.685 557 HE2 MET 27 2HE MET 27 3.288 -3.274 -9.326 558 HE3 MET 27 3HE MET 27 5.025 -3.493 -9.533 559 H ALA 28 H ALA 28 -0.826 -5.247 -7.803 560 HA ALA 28 HA ALA 28 -3.169 -5.775 -6.563 561 HB1 ALA 28 1HB ALA 28 -2.428 -6.715 -8.708 562 HB2 ALA 28 2HB ALA 28 -3.164 -7.920 -7.652 563 HB3 ALA 28 3HB ALA 28 -1.410 -7.858 -7.833 564 H GLU 29 H GLU 29 -0.152 -7.595 -5.817 565 HA GLU 29 HA GLU 29 -1.504 -8.501 -3.347 566 HB2 GLU 29 2HB GLU 29 0.899 -9.912 -4.382 567 HB3 GLU 29 1HB GLU 29 -0.510 -10.560 -3.557 568 HG2 GLU 29 2HG GLU 29 -0.902 -11.407 -5.613 569 HG3 GLU 29 1HG GLU 29 -1.678 -9.837 -5.835 570 H ARG 30 H ARG 30 0.546 -6.138 -4.104 571 HA ARG 30 HA ARG 30 1.945 -6.334 -1.597 572 HB2 ARG 30 2HB ARG 30 4.208 -6.392 -2.476 573 HB3 ARG 30 1HB ARG 30 3.318 -7.814 -3.004 574 HG2 ARG 30 2HG ARG 30 2.852 -6.282 -5.119 575 HG3 ARG 30 1HG ARG 30 4.351 -5.523 -4.583 576 HD2 ARG 30 2HD ARG 30 5.199 -7.141 -5.952 577 HD3 ARG 30 1HD ARG 30 5.161 -8.025 -4.428 578 HE ARG 30 HE ARG 30 2.730 -8.353 -5.884 579 HH11 ARG 30 1HH1 ARG 30 6.043 -9.457 -5.694 580 HH12 ARG 30 2HH1 ARG 30 5.730 -10.945 -6.518 581 HH21 ARG 30 1HH2 ARG 30 2.297 -10.304 -6.953 582 HH22 ARG 30 2HH2 ARG 30 3.583 -11.437 -7.241 583 H ILE 31 H ILE 31 3.600 -4.554 -1.379 584 HA ILE 31 HA ILE 31 2.758 -2.167 -2.874 585 HB ILE 31 HB ILE 31 1.829 -1.844 -0.713 586 HG12 ILE 31 2HG1 ILE 31 4.520 -0.457 -0.683 587 HG13 ILE 31 1HG1 ILE 31 3.114 0.087 -1.592 588 HG21 ILE 31 1HG2 ILE 31 3.104 -2.130 1.371 589 HG22 ILE 31 2HG2 ILE 31 4.465 -2.747 0.434 590 HG23 ILE 31 3HG2 ILE 31 2.941 -3.635 0.467 591 HD11 ILE 31 1HD1 ILE 31 3.405 1.344 0.474 592 HD12 ILE 31 2HD1 ILE 31 3.276 -0.149 1.403 593 HD13 ILE 31 3HD1 ILE 31 1.893 0.437 0.478 594 H ALA 32 H ALA 32 4.411 -1.158 -3.878 595 HA ALA 32 HA ALA 32 7.117 -1.717 -2.883 596 HB1 ALA 32 1HB ALA 32 6.653 -3.160 -4.801 597 HB2 ALA 32 2HB ALA 32 7.930 -1.993 -5.145 598 HB3 ALA 32 3HB ALA 32 6.305 -1.735 -5.781 599 H TRP 33 H TRP 33 8.676 -0.177 -3.286 600 HA TRP 33 HA TRP 33 7.693 2.451 -4.170 601 HB2 TRP 33 2HB TRP 33 7.889 2.512 -1.741 602 HB3 TRP 33 1HB TRP 33 9.512 1.847 -1.825 603 HD1 TRP 33 HD TRP 33 7.585 5.096 -2.522 604 HE1 TRP 33 1HE TRP 33 9.272 7.044 -2.620 605 HE3 TRP 33 3HE TRP 33 11.931 2.425 -2.206 606 HZ2 TRP 33 2HZ TRP 33 12.066 7.393 -2.575 607 HZ3 TRP 33 3HZ TRP 33 14.067 3.642 -2.232 608 HH2 TRP 33 HH TRP 33 14.134 6.076 -2.423 609 H ALA 34 H ALA 34 9.019 3.559 -5.510 610 HA ALA 34 HA ALA 34 11.732 2.545 -5.967 611 HB1 ALA 34 1HB ALA 34 10.305 1.486 -7.652 612 HB2 ALA 34 2HB ALA 34 11.416 2.640 -8.389 613 HB3 ALA 34 3HB ALA 34 9.721 3.070 -8.158 614 HA PRO 35 HA PRO 35 12.604 6.891 -5.813 615 HB2 PRO 35 2HB PRO 35 14.961 6.288 -7.484 616 HB3 PRO 35 1HB PRO 35 14.883 6.975 -5.859 617 HG2 PRO 35 2HG PRO 35 15.742 4.468 -6.284 618 HG3 PRO 35 1HG PRO 35 14.813 4.908 -4.840 619 HD2 PRO 35 2HD PRO 35 13.905 3.509 -7.327 620 HD3 PRO 35 1HD PRO 35 13.471 3.194 -5.632 621 H GLU 36 H GLU 36 12.511 8.702 -7.203 622 HA GLU 36 HA GLU 36 10.925 8.378 -9.464 623 HB2 GLU 36 2HB GLU 36 11.321 10.471 -8.008 624 HB3 GLU 36 1HB GLU 36 12.659 10.796 -9.104 625 HG2 GLU 36 2HG GLU 36 10.409 11.889 -9.609 626 HG3 GLU 36 1HG GLU 36 11.251 11.090 -10.935 627 H GLY 37 H GLY 37 11.233 8.224 -11.571 628 HA2 GLY 37 2HA GLY 37 12.326 8.120 -13.603 629 HA3 GLY 37 1HA GLY 37 13.786 8.691 -12.815 630 H LYS 38 H LYS 38 12.416 5.981 -11.265 631 HA LYS 38 HA LYS 38 14.342 4.243 -12.659 632 HB2 LYS 38 2HB LYS 38 13.593 4.434 -9.771 633 HB3 LYS 38 1HB LYS 38 14.113 2.883 -10.419 634 HG2 LYS 38 2HG LYS 38 16.149 3.628 -9.825 635 HG3 LYS 38 1HG LYS 38 16.068 4.461 -11.379 636 HD2 LYS 38 2HD LYS 38 14.794 6.218 -9.719 637 HD3 LYS 38 1HD LYS 38 16.025 5.536 -8.656 638 HE2 LYS 38 2HE LYS 38 17.199 7.268 -9.581 639 HE3 LYS 38 1HE LYS 38 17.587 5.983 -10.725 640 HZ1 LYS 38 1HZ LYS 38 16.950 8.040 -11.842 641 HZ2 LYS 38 2HZ LYS 38 15.438 8.007 -11.077 642 HZ3 LYS 38 3HZ LYS 38 15.853 6.796 -12.190 643 H ASP 39 H ASP 39 13.676 2.336 -13.474 644 HA ASP 39 HA ASP 39 10.814 1.862 -13.539 645 HB2 ASP 39 2HB ASP 39 11.436 0.107 -15.229 646 HB3 ASP 39 1HB ASP 39 11.931 1.742 -15.657 647 H ARG 40 H ARG 40 13.416 0.819 -11.675 648 HA ARG 40 HA ARG 40 12.005 -1.667 -10.982 649 HB2 ARG 40 2HB ARG 40 14.087 -2.586 -10.176 650 HB3 ARG 40 1HB ARG 40 14.302 -2.027 -11.826 651 HG2 ARG 40 2HG ARG 40 15.198 0.137 -10.690 652 HG3 ARG 40 1HG ARG 40 15.415 -0.918 -9.291 653 HD2 ARG 40 2HD ARG 40 17.392 -1.443 -10.204 654 HD3 ARG 40 1HD ARG 40 16.459 -2.419 -11.340 655 HE ARG 40 HE ARG 40 17.900 -0.026 -11.914 656 HH11 ARG 40 1HH1 ARG 40 15.174 -1.979 -12.901 657 HH12 ARG 40 2HH1 ARG 40 14.990 -1.196 -14.446 658 HH21 ARG 40 1HH2 ARG 40 17.713 0.955 -13.995 659 HH22 ARG 40 2HH2 ARG 40 16.427 0.465 -15.052 660 H PHE 41 H PHE 41 11.524 -2.104 -8.879 661 HA PHE 41 HA PHE 41 11.432 0.202 -7.118 662 HB2 PHE 41 2HB PHE 41 10.320 -2.531 -6.504 663 HB3 PHE 41 1HB PHE 41 9.790 -0.969 -5.889 664 HD1 PHE 41 1HD PHE 41 8.591 0.602 -7.429 665 HD2 PHE 41 2HD PHE 41 9.411 -3.442 -8.470 666 HE1 PHE 41 1HE PHE 41 6.877 0.710 -9.191 667 HE2 PHE 41 2HE PHE 41 7.701 -3.340 -10.234 668 HZ PHE 41 HZ PHE 41 6.432 -1.261 -10.597 669 H THR 42 H THR 42 12.492 0.385 -5.199 670 HA THR 42 HA THR 42 14.627 -1.546 -4.701 671 HB THR 42 HB THR 42 15.111 0.350 -2.879 672 HG1 THR 42 1HG THR 42 14.009 2.122 -3.230 673 HG21 THR 42 1HG2 THR 42 16.546 1.465 -4.545 674 HG22 THR 42 2HG2 THR 42 15.690 0.618 -5.833 675 HG23 THR 42 3HG2 THR 42 16.645 -0.293 -4.664 676 H ILE 43 H ILE 43 11.617 -0.462 -3.430 677 HA ILE 43 HA ILE 43 11.986 -2.152 -1.037 678 HB ILE 43 HB ILE 43 10.196 0.264 -1.385 679 HG12 ILE 43 2HG1 ILE 43 12.623 0.738 -1.020 680 HG13 ILE 43 1HG1 ILE 43 11.584 1.346 0.263 681 HG21 ILE 43 1HG2 ILE 43 9.092 -1.431 -0.039 682 HG22 ILE 43 2HG2 ILE 43 9.573 -0.059 0.960 683 HG23 ILE 43 3HG2 ILE 43 10.512 -1.551 1.000 684 HD11 ILE 43 1HD1 ILE 43 12.191 -0.551 1.660 685 HD12 ILE 43 2HD1 ILE 43 13.616 0.355 1.150 686 HD13 ILE 43 3HD1 ILE 43 13.219 -1.177 0.371 687 H SER 44 H SER 44 10.743 -3.934 -1.019 688 HA SER 44 HA SER 44 8.166 -3.872 -2.403 689 HB2 SER 44 2HB SER 44 9.744 -4.870 -3.992 690 HB3 SER 44 1HB SER 44 10.256 -6.035 -2.772 691 HG SER 44 HG SER 44 8.351 -7.068 -2.932 692 H HIS 45 H HIS 45 6.703 -4.335 -0.925 693 HA HIS 45 HA HIS 45 7.266 -6.495 1.001 694 HB2 HIS 45 2HB HIS 45 5.980 -3.816 1.496 695 HB3 HIS 45 1HB HIS 45 5.702 -5.187 2.561 696 HD1 HIS 45 1HD HIS 45 8.135 -6.246 3.513 697 HD2 HIS 45 2HD HIS 45 8.005 -2.290 2.271 698 HE1 HIS 45 1HE HIS 45 10.097 -5.092 4.610 699 H MET 46 H MET 46 5.771 -8.043 1.110 700 HA MET 46 HA MET 46 3.462 -7.764 -0.637 701 HB2 MET 46 2HB MET 46 4.191 -10.135 1.100 702 HB3 MET 46 1HB MET 46 3.099 -10.118 -0.276 703 HG2 MET 46 2HG MET 46 6.011 -9.479 -0.565 704 HG3 MET 46 1HG MET 46 5.411 -11.135 -0.595 705 HE1 MET 46 1HE MET 46 3.090 -11.132 -3.730 706 HE2 MET 46 2HE MET 46 2.565 -10.736 -2.093 707 HE3 MET 46 3HE MET 46 3.709 -12.051 -2.357 708 H TYR 47 H TYR 47 1.336 -7.918 0.112 709 HA TYR 47 HA TYR 47 0.791 -6.617 2.540 710 HB2 TYR 47 2HB TYR 47 -1.048 -8.336 0.859 711 HB3 TYR 47 1HB TYR 47 -1.572 -7.265 2.153 712 HD1 TYR 47 1HD TYR 47 0.166 -4.907 1.615 713 HD2 TYR 47 2HD TYR 47 -2.039 -7.391 -1.042 714 HE1 TYR 47 1HE TYR 47 0.019 -3.049 0.013 715 HE2 TYR 47 2HE TYR 47 -2.193 -5.539 -2.650 716 HH TYR 47 HH TYR 47 -1.325 -3.511 -3.203 717 H ALA 48 H ALA 48 1.322 -9.919 1.771 718 HA ALA 48 HA ALA 48 0.071 -11.093 4.037 719 HB1 ALA 48 1HB ALA 48 0.477 -12.334 1.968 720 HB2 ALA 48 2HB ALA 48 1.207 -13.131 3.362 721 HB3 ALA 48 3HB ALA 48 2.215 -12.214 2.241 722 H ASP 49 H ASP 49 3.033 -9.398 3.660 723 HA ASP 49 HA ASP 49 4.196 -10.713 6.014 724 HB2 ASP 49 2HB ASP 49 5.610 -8.463 4.661 725 HB3 ASP 49 1HB ASP 49 6.272 -9.916 5.391 726 H ILE 50 H ILE 50 2.312 -8.058 5.202 727 HA ILE 50 HA ILE 50 3.392 -6.336 7.293 728 HB ILE 50 HB ILE 50 1.028 -5.837 5.478 729 HG12 ILE 50 2HG1 ILE 50 3.820 -4.727 5.183 730 HG13 ILE 50 1HG1 ILE 50 3.288 -6.181 4.345 731 HG21 ILE 50 1HG2 ILE 50 1.012 -4.495 7.512 732 HG22 ILE 50 2HG2 ILE 50 1.352 -3.494 6.099 733 HG23 ILE 50 3HG2 ILE 50 2.661 -3.963 7.184 734 HD11 ILE 50 1HD1 ILE 50 1.590 -4.925 3.178 735 HD12 ILE 50 2HD1 ILE 50 3.169 -4.172 2.946 736 HD13 ILE 50 3HD1 ILE 50 2.015 -3.469 4.079 737 H LYS 51 H LYS 51 2.576 -6.230 9.283 738 HA LYS 51 HA LYS 51 0.388 -7.918 10.073 739 HB2 LYS 51 2HB LYS 51 2.347 -7.589 11.525 740 HB3 LYS 51 1HB LYS 51 1.985 -5.874 11.635 741 HG2 LYS 51 2HG LYS 51 -0.256 -6.603 12.631 742 HG3 LYS 51 1HG LYS 51 0.502 -8.183 12.830 743 HD2 LYS 51 2HD LYS 51 1.695 -5.626 13.887 744 HD3 LYS 51 1HD LYS 51 0.626 -6.660 14.835 745 HE2 LYS 51 2HE LYS 51 2.443 -7.784 15.457 746 HE3 LYS 51 1HE LYS 51 2.523 -8.401 13.808 747 HZ1 LYS 51 1HZ LYS 51 4.627 -7.471 14.382 748 HZ2 LYS 51 2HZ LYS 51 3.924 -6.017 14.887 749 HZ3 LYS 51 3HZ LYS 51 3.908 -6.440 13.247 750 H CYS 52 H CYS 52 1.012 -4.439 10.317 751 HA CYS 52 HA CYS 52 -1.711 -3.784 9.593 752 HB2 CYS 52 2HB CYS 52 -1.769 -2.224 11.688 753 HB3 CYS 52 1HB CYS 52 -2.206 -3.919 11.876 754 HG CYS 52 HG CYS 52 -0.052 -2.246 13.570 755 H GLN 53 H GLN 53 -1.782 -1.095 9.847 756 HA GLN 53 HA GLN 53 0.873 -0.212 8.962 757 HB2 GLN 53 2HB GLN 53 -0.452 1.195 7.263 758 HB3 GLN 53 1HB GLN 53 -0.308 -0.517 6.932 759 HG2 GLN 53 2HG GLN 53 -2.501 -0.936 7.393 760 HG3 GLN 53 1HG GLN 53 -2.657 0.457 8.459 761 HE21 GLN 53 1HE2 GLN 53 -4.471 -0.239 6.461 762 HE22 GLN 53 2HE2 GLN 53 -4.478 1.028 5.279 763 H LYS 54 H LYS 54 0.989 2.217 9.089 764 HA LYS 54 HA LYS 54 -0.957 3.473 10.901 765 HB2 LYS 54 2HB LYS 54 2.028 3.740 11.405 766 HB3 LYS 54 1HB LYS 54 0.709 4.354 12.373 767 HG2 LYS 54 2HG LYS 54 0.252 1.655 12.381 768 HG3 LYS 54 1HG LYS 54 2.014 1.774 12.441 769 HD2 LYS 54 2HD LYS 54 1.070 3.756 14.167 770 HD3 LYS 54 1HD LYS 54 0.071 2.338 14.491 771 HE2 LYS 54 2HE LYS 54 3.052 2.200 14.323 772 HE3 LYS 54 1HE LYS 54 2.208 2.589 15.820 773 HZ1 LYS 54 1HZ LYS 54 2.710 0.231 15.688 774 HZ2 LYS 54 2HZ LYS 54 1.854 0.104 14.234 775 HZ3 LYS 54 3HZ LYS 54 1.032 0.478 15.664 776 H ILE 55 H ILE 55 -0.550 5.844 10.927 777 HA ILE 55 HA ILE 55 0.915 6.766 8.517 778 HB ILE 55 HB ILE 55 -1.089 8.391 8.242 779 HG12 ILE 55 2HG1 ILE 55 -2.253 6.250 9.995 780 HG13 ILE 55 1HG1 ILE 55 -2.119 7.961 10.342 781 HG21 ILE 55 1HG2 ILE 55 -0.611 6.621 6.619 782 HG22 ILE 55 2HG2 ILE 55 -2.349 6.780 6.870 783 HG23 ILE 55 3HG2 ILE 55 -1.467 5.457 7.631 784 HD11 ILE 55 1HD1 ILE 55 -3.910 6.699 8.304 785 HD12 ILE 55 2HD1 ILE 55 -3.765 8.429 8.624 786 HD13 ILE 55 3HD1 ILE 55 -4.377 7.347 9.876 787 H SER 56 H SER 56 2.122 8.671 8.941 788 HA SER 56 HA SER 56 1.900 9.726 11.591 789 HB2 SER 56 2HB SER 56 3.435 11.552 10.789 790 HB3 SER 56 1HB SER 56 4.076 9.927 10.573 791 HG SER 56 HG SER 56 3.736 11.811 8.760 792 HA PRO 57 HA PRO 57 -2.019 11.516 10.807 793 HB2 PRO 57 2HB PRO 57 -2.056 12.914 13.177 794 HB3 PRO 57 1HB PRO 57 -2.466 11.204 12.998 795 HG2 PRO 57 2HG PRO 57 0.125 12.448 13.837 796 HG3 PRO 57 1HG PRO 57 -0.732 11.062 14.542 797 HD2 PRO 57 2HD PRO 57 1.328 10.680 12.937 798 HD3 PRO 57 1HD PRO 57 -0.109 9.644 12.817 799 H GLU 58 H GLU 58 -3.053 13.634 10.841 800 HA GLU 58 HA GLU 58 -1.626 15.678 9.575 801 HB2 GLU 58 2HB GLU 58 -4.280 15.588 11.003 802 HB3 GLU 58 1HB GLU 58 -3.661 17.092 10.339 803 HG2 GLU 58 2HG GLU 58 -5.230 16.026 8.822 804 HG3 GLU 58 1HG GLU 58 -3.621 16.120 8.115 805 H GLY 59 H GLY 59 -0.763 17.606 10.363 806 HA2 GLY 59 2HA GLY 59 -0.464 19.159 12.240 807 HA3 GLY 59 1HA GLY 59 -0.457 17.751 13.299 808 H LYS 60 H LYS 60 1.130 16.117 11.527 809 HA LYS 60 HA LYS 60 3.744 16.991 12.281 810 HB2 LYS 60 2HB LYS 60 2.629 14.681 10.755 811 HB3 LYS 60 1HB LYS 60 4.314 15.086 10.489 812 HG2 LYS 60 2HG LYS 60 4.498 14.958 13.077 813 HG3 LYS 60 1HG LYS 60 2.983 14.053 12.960 814 HD2 LYS 60 2HD LYS 60 3.948 12.343 11.730 815 HD3 LYS 60 1HD LYS 60 5.297 13.344 11.202 816 HE2 LYS 60 2HE LYS 60 4.840 12.144 13.917 817 HE3 LYS 60 1HE LYS 60 6.107 11.738 12.767 818 HZ1 LYS 60 1HZ LYS 60 5.821 14.288 14.247 819 HZ2 LYS 60 2HZ LYS 60 6.999 13.988 13.064 820 HZ3 LYS 60 3HZ LYS 60 6.992 13.088 14.509 821 H ALA 61 H ALA 61 5.474 17.492 10.750 822 HA ALA 61 HA ALA 61 4.552 19.278 8.692 823 HB1 ALA 61 1HB ALA 61 6.941 19.757 8.345 824 HB2 ALA 61 2HB ALA 61 7.353 18.461 9.468 825 HB3 ALA 61 3HB ALA 61 6.482 19.882 10.043 826 H LYS 62 H LYS 62 4.804 16.050 8.774 827 HA LYS 62 HA LYS 62 4.984 15.856 5.896 828 HB2 LYS 62 2HB LYS 62 6.552 13.768 6.345 829 HB3 LYS 62 1HB LYS 62 7.212 15.380 6.113 830 HG2 LYS 62 2HG LYS 62 6.615 14.987 8.884 831 HG3 LYS 62 1HG LYS 62 7.595 13.645 8.288 832 HD2 LYS 62 2HD LYS 62 8.405 16.393 7.505 833 HD3 LYS 62 1HD LYS 62 8.676 15.907 9.179 834 HE2 LYS 62 2HE LYS 62 9.563 13.739 7.705 835 HE3 LYS 62 1HE LYS 62 10.088 15.134 6.761 836 HZ1 LYS 62 1HZ LYS 62 11.184 16.024 8.710 837 HZ2 LYS 62 2HZ LYS 62 11.748 14.456 8.396 838 HZ3 LYS 62 3HZ LYS 62 10.637 14.717 9.657 839 H ILE 63 H ILE 63 3.144 14.875 5.431 840 HA ILE 63 HA ILE 63 1.858 13.015 7.215 841 HB ILE 63 HB ILE 63 1.175 13.674 4.337 842 HG12 ILE 63 2HG1 ILE 63 -0.618 14.880 6.192 843 HG13 ILE 63 1HG1 ILE 63 1.021 15.300 6.680 844 HG21 ILE 63 1HG2 ILE 63 -1.055 12.876 4.902 845 HG22 ILE 63 2HG2 ILE 63 -0.516 12.498 6.538 846 HG23 ILE 63 3HG2 ILE 63 0.148 11.614 5.163 847 HD11 ILE 63 1HD1 ILE 63 -0.071 15.685 3.906 848 HD12 ILE 63 2HD1 ILE 63 1.472 16.260 4.536 849 HD13 ILE 63 3HD1 ILE 63 -0.039 16.933 5.152 850 H GLN 64 H GLN 64 2.488 10.904 7.361 851 HA GLN 64 HA GLN 64 3.539 9.672 4.878 852 HB2 GLN 64 2HB GLN 64 4.889 9.339 7.554 853 HB3 GLN 64 1HB GLN 64 5.453 8.764 5.994 854 HG2 GLN 64 2HG GLN 64 6.219 10.817 5.357 855 HG3 GLN 64 1HG GLN 64 5.056 11.685 6.357 856 HE21 GLN 64 1HE2 GLN 64 5.583 10.242 8.750 857 HE22 GLN 64 2HE2 GLN 64 7.153 10.701 9.315 858 H LEU 65 H LEU 65 3.918 7.304 5.126 859 HA LEU 65 HA LEU 65 1.835 6.071 6.818 860 HB2 LEU 65 2HB LEU 65 1.468 5.962 4.315 861 HB3 LEU 65 1HB LEU 65 2.919 4.980 4.218 862 HG LEU 65 HG LEU 65 1.590 3.550 6.046 863 HD11 LEU 65 1HD1 LEU 65 -0.567 4.820 4.381 864 HD12 LEU 65 2HD1 LEU 65 -0.346 4.978 6.124 865 HD13 LEU 65 3HD1 LEU 65 -0.774 3.415 5.426 866 HD21 LEU 65 1HD2 LEU 65 1.173 3.400 3.074 867 HD22 LEU 65 2HD2 LEU 65 0.824 2.110 4.224 868 HD23 LEU 65 3HD2 LEU 65 2.483 2.661 3.996 869 H GLN 66 H GLN 66 2.378 4.165 7.887 870 HA GLN 66 HA GLN 66 5.201 3.334 7.775 871 HB2 GLN 66 2HB GLN 66 4.645 4.704 9.793 872 HB3 GLN 66 1HB GLN 66 3.474 3.480 10.249 873 HG2 GLN 66 2HG GLN 66 5.154 1.864 10.618 874 HG3 GLN 66 1HG GLN 66 6.385 2.867 9.851 875 HE21 GLN 66 1HE2 GLN 66 7.313 4.526 10.983 876 HE22 GLN 66 2HE2 GLN 66 7.102 4.741 12.689 877 H LEU 67 H LEU 67 5.326 1.280 7.133 878 HA LEU 67 HA LEU 67 3.002 -0.458 7.476 879 HB2 LEU 67 2HB LEU 67 5.526 -0.690 5.857 880 HB3 LEU 67 1HB LEU 67 4.416 -2.031 6.053 881 HG LEU 67 HG LEU 67 3.817 0.615 4.740 882 HD11 LEU 67 1HD1 LEU 67 5.186 -0.885 3.399 883 HD12 LEU 67 2HD1 LEU 67 3.557 -0.755 2.733 884 HD13 LEU 67 3HD1 LEU 67 4.025 -2.187 3.650 885 HD21 LEU 67 1HD2 LEU 67 1.861 -0.174 5.943 886 HD22 LEU 67 2HD2 LEU 67 2.033 -1.772 5.218 887 HD23 LEU 67 3HD2 LEU 67 1.633 -0.382 4.208 888 H VAL 68 H VAL 68 2.945 -1.440 9.422 889 HA VAL 68 HA VAL 68 5.447 -2.310 10.637 890 HB VAL 68 HB VAL 68 2.618 -2.442 11.709 891 HG11 VAL 68 1HG1 VAL 68 3.645 -3.104 13.828 892 HG12 VAL 68 2HG1 VAL 68 5.233 -3.124 13.059 893 HG13 VAL 68 3HG1 VAL 68 3.998 -4.283 12.566 894 HG21 VAL 68 1HG2 VAL 68 3.604 -0.187 11.545 895 HG22 VAL 68 2HG2 VAL 68 4.963 -0.739 12.527 896 HG23 VAL 68 3HG2 VAL 68 3.338 -0.695 13.213 897 H LEU 69 H LEU 69 6.233 -4.126 9.917 898 HA LEU 69 HA LEU 69 4.632 -6.107 8.654 899 HB2 LEU 69 2HB LEU 69 7.502 -6.257 9.538 900 HB3 LEU 69 1HB LEU 69 6.694 -7.388 8.467 901 HG LEU 69 HG LEU 69 7.750 -4.682 7.917 902 HD11 LEU 69 1HD1 LEU 69 7.449 -7.196 6.306 903 HD12 LEU 69 2HD1 LEU 69 8.899 -6.657 7.154 904 HD13 LEU 69 3HD1 LEU 69 8.286 -5.736 5.780 905 HD21 LEU 69 1HD2 LEU 69 5.436 -4.241 7.479 906 HD22 LEU 69 2HD2 LEU 69 5.299 -5.722 6.533 907 HD23 LEU 69 3HD2 LEU 69 6.307 -4.396 5.953 908 H HIS 70 H HIS 70 5.151 -8.513 9.384 909 HA HIS 70 HA HIS 70 3.645 -8.906 11.710 910 HB2 HIS 70 2HB HIS 70 5.322 -10.771 10.061 911 HB3 HIS 70 1HB HIS 70 4.419 -11.321 11.469 912 HD1 HIS 70 1HD HIS 70 1.894 -9.407 10.819 913 HD2 HIS 70 2HD HIS 70 3.738 -12.079 8.246 914 HE1 HIS 70 1HE HIS 70 0.185 -9.988 9.055 915 H ALA 71 H ALA 71 7.175 -9.312 11.276 916 HA ALA 71 HA ALA 71 7.593 -10.247 13.926 917 HB1 ALA 71 1HB ALA 71 9.986 -9.792 13.463 918 HB2 ALA 71 2HB ALA 71 9.511 -9.049 11.936 919 HB3 ALA 71 3HB ALA 71 9.197 -10.761 12.220 920 H GLY 72 H GLY 72 7.195 -7.109 12.595 921 HA2 GLY 72 2HA GLY 72 6.591 -5.372 14.275 922 HA3 GLY 72 1HA GLY 72 8.010 -5.908 15.174 923 H ASP 73 H ASP 73 8.041 -5.851 11.781 924 HA ASP 73 HA ASP 73 10.236 -3.992 11.678 925 HB2 ASP 73 2HB ASP 73 8.844 -5.085 9.256 926 HB3 ASP 73 1HB ASP 73 10.556 -4.791 9.501 927 H THR 74 H THR 74 10.120 -2.123 10.121 928 HA THR 74 HA THR 74 7.406 -1.199 9.622 929 HB THR 74 HB THR 74 8.210 1.111 10.577 930 HG1 THR 74 1HG THR 74 9.711 -0.699 12.186 931 HG21 THR 74 1HG2 THR 74 6.296 -0.030 11.471 932 HG22 THR 74 2HG2 THR 74 7.305 0.506 12.814 933 HG23 THR 74 3HG2 THR 74 7.326 -1.185 12.314 934 H THR 75 H THR 75 7.231 -0.190 7.761 935 HA THR 75 HA THR 75 9.667 0.848 6.476 936 HB THR 75 HB THR 75 7.261 0.125 4.863 937 HG1 THR 75 1HG THR 75 8.749 -2.028 4.871 938 HG21 THR 75 1HG2 THR 75 9.159 1.152 3.761 939 HG22 THR 75 2HG2 THR 75 9.018 -0.527 3.244 940 HG23 THR 75 3HG2 THR 75 10.243 -0.070 4.426 941 H ASN 76 H ASN 76 9.654 3.001 6.670 942 HA ASN 76 HA ASN 76 7.181 4.488 6.807 943 HB2 ASN 76 2HB ASN 76 10.053 5.099 7.253 944 HB3 ASN 76 1HB ASN 76 9.019 6.434 6.762 945 HD21 ASN 76 1HD2 ASN 76 9.435 7.380 8.786 946 HD22 ASN 76 2HD2 ASN 76 8.592 6.855 10.195 947 H PHE 77 H PHE 77 6.267 5.662 5.288 948 HA PHE 77 HA PHE 77 7.730 6.195 2.793 949 HB2 PHE 77 2HB PHE 77 4.918 5.118 3.083 950 HB3 PHE 77 1HB PHE 77 5.529 5.829 1.590 951 HD1 PHE 77 1HD PHE 77 4.830 2.830 3.009 952 HD2 PHE 77 2HD PHE 77 8.067 4.831 1.104 953 HE1 PHE 77 1HE PHE 77 5.795 0.659 2.367 954 HE2 PHE 77 2HE PHE 77 9.034 2.668 0.458 955 HZ PHE 77 HZ PHE 77 7.897 0.575 1.088 956 H HIS 78 H HIS 78 7.994 8.312 2.813 957 HA HIS 78 HA HIS 78 6.050 10.070 4.060 958 HB2 HIS 78 2HB HIS 78 8.410 10.456 4.477 959 HB3 HIS 78 1HB HIS 78 8.736 10.562 2.756 960 HD1 HIS 78 1HD HIS 78 9.838 12.898 3.875 961 HD2 HIS 78 2HD HIS 78 5.707 12.680 3.373 962 HE1 HIS 78 1HE HIS 78 8.987 15.281 3.856 963 H PHE 79 H PHE 79 4.399 10.886 2.970 964 HA PHE 79 HA PHE 79 4.376 10.864 0.076 965 HB2 PHE 79 2HB PHE 79 2.345 11.856 2.099 966 HB3 PHE 79 1HB PHE 79 2.083 11.824 0.359 967 HD1 PHE 79 1HD PHE 79 1.654 9.761 -0.793 968 HD2 PHE 79 2HD PHE 79 2.399 9.806 3.394 969 HE1 PHE 79 1HE PHE 79 0.804 7.460 -0.622 970 HE2 PHE 79 2HE PHE 79 1.552 7.504 3.575 971 HZ PHE 79 HZ PHE 79 0.746 6.332 1.565 972 H SER 80 H SER 80 6.229 12.262 -0.059 973 HA SER 80 HA SER 80 6.076 14.973 0.849 974 HB2 SER 80 2HB SER 80 8.175 14.996 -0.815 975 HB3 SER 80 1HB SER 80 8.262 14.326 0.816 976 HG SER 80 HG SER 80 7.528 12.745 -1.414 977 H ASN 81 H ASN 81 3.942 14.160 -0.981 978 HA ASN 81 HA ASN 81 4.550 15.749 -3.363 979 HB2 ASN 81 2HB ASN 81 3.303 13.474 -3.441 980 HB3 ASN 81 1HB ASN 81 1.918 14.380 -2.834 981 HD21 ASN 81 1HD2 ASN 81 1.726 13.129 -5.222 982 HD22 ASN 81 2HD2 ASN 81 1.709 14.296 -6.504 983 H GLU 82 H GLU 82 4.457 17.835 -2.834 984 HA GLU 82 HA GLU 82 2.856 18.946 -0.813 985 HB2 GLU 82 2HB GLU 82 4.048 20.340 -3.222 986 HB3 GLU 82 1HB GLU 82 3.538 21.105 -1.726 987 HG2 GLU 82 2HG GLU 82 5.809 20.986 -1.433 988 HG3 GLU 82 1HG GLU 82 5.275 19.516 -0.624 989 H SER 83 H SER 83 1.901 17.820 -3.829 990 HA SER 83 HA SER 83 -0.180 19.757 -4.278 991 HB2 SER 83 2HB SER 83 -0.121 17.085 -5.625 992 HB3 SER 83 1HB SER 83 -0.563 18.661 -6.281 993 HG SER 83 HG SER 83 1.971 17.517 -5.916 994 H THR 84 H THR 84 -0.268 16.212 -3.648 995 HA THR 84 HA THR 84 -2.726 16.679 -2.108 996 HB THR 84 HB THR 84 -3.329 14.292 -3.158 997 HG1 THR 84 1HG THR 84 -1.429 14.285 -4.489 998 HG21 THR 84 1HG2 THR 84 -3.808 16.924 -4.563 999 HG22 THR 84 2HG2 THR 84 -4.739 16.311 -3.196 1000 HG23 THR 84 3HG2 THR 84 -4.773 15.458 -4.739 1001 H ALA 85 H ALA 85 -0.124 16.275 -1.033 1002 HA ALA 85 HA ALA 85 0.755 13.801 -0.350 1003 HB1 ALA 85 1HB ALA 85 1.775 15.928 0.387 1004 HB2 ALA 85 2HB ALA 85 1.647 14.740 1.685 1005 HB3 ALA 85 3HB ALA 85 0.507 16.083 1.604 1006 H VAL 86 H VAL 86 -1.653 15.596 1.516 1007 HA VAL 86 HA VAL 86 -2.243 13.600 3.375 1008 HB VAL 86 HB VAL 86 -3.940 15.858 2.328 1009 HG11 VAL 86 1HG1 VAL 86 -5.386 14.143 3.289 1010 HG12 VAL 86 2HG1 VAL 86 -5.324 15.560 4.337 1011 HG13 VAL 86 3HG1 VAL 86 -4.399 14.117 4.751 1012 HG21 VAL 86 1HG2 VAL 86 -2.346 15.593 4.866 1013 HG22 VAL 86 2HG2 VAL 86 -3.325 16.982 4.392 1014 HG23 VAL 86 3HG2 VAL 86 -1.896 16.550 3.455 1015 H LYS 87 H LYS 87 -3.773 14.325 0.257 1016 HA LYS 87 HA LYS 87 -5.828 12.384 0.540 1017 HB2 LYS 87 2HB LYS 87 -5.097 14.393 -1.367 1018 HB3 LYS 87 1HB LYS 87 -5.464 12.890 -2.203 1019 HG2 LYS 87 2HG LYS 87 -7.406 14.440 -1.891 1020 HG3 LYS 87 1HG LYS 87 -7.649 12.804 -1.279 1021 HD2 LYS 87 2HD LYS 87 -6.540 14.703 0.674 1022 HD3 LYS 87 1HD LYS 87 -8.173 15.076 0.124 1023 HE2 LYS 87 2HE LYS 87 -9.045 13.090 0.958 1024 HE3 LYS 87 1HE LYS 87 -7.471 12.298 0.990 1025 HZ1 LYS 87 1HZ LYS 87 -8.769 13.765 3.038 1026 HZ2 LYS 87 2HZ LYS 87 -7.279 14.477 2.685 1027 HZ3 LYS 87 3HZ LYS 87 -7.350 12.832 3.125 1028 H GLU 88 H GLU 88 -2.730 12.348 -1.245 1029 HA GLU 88 HA GLU 88 -3.119 9.771 -2.342 1030 HB2 GLU 88 2HB GLU 88 -0.577 11.298 -1.749 1031 HB3 GLU 88 1HB GLU 88 -0.612 9.760 -2.595 1032 HG2 GLU 88 2HG GLU 88 -1.631 10.654 -4.461 1033 HG3 GLU 88 1HG GLU 88 -2.272 12.035 -3.575 1034 H ARG 89 H ARG 89 -1.972 10.927 0.734 1035 HA ARG 89 HA ARG 89 -0.899 8.542 1.764 1036 HB2 ARG 89 2HB ARG 89 -0.648 10.776 2.833 1037 HB3 ARG 89 1HB ARG 89 -2.356 10.753 3.242 1038 HG2 ARG 89 2HG ARG 89 -0.625 8.529 4.199 1039 HG3 ARG 89 1HG ARG 89 -0.517 10.097 4.993 1040 HD2 ARG 89 2HD ARG 89 -2.751 8.133 4.937 1041 HD3 ARG 89 1HD ARG 89 -2.128 9.091 6.276 1042 HE ARG 89 HE ARG 89 -4.075 9.945 4.266 1043 HH11 ARG 89 1HH1 ARG 89 -2.199 10.732 7.126 1044 HH12 ARG 89 2HH1 ARG 89 -3.183 12.110 7.529 1045 HH21 ARG 89 1HH2 ARG 89 -5.384 11.733 4.847 1046 HH22 ARG 89 2HH2 ARG 89 -4.950 12.674 6.256 1047 H ASP 90 H ASP 90 -4.121 9.942 1.870 1048 HA ASP 90 HA ASP 90 -5.386 7.903 3.355 1049 HB2 ASP 90 2HB ASP 90 -6.369 10.070 1.514 1050 HB3 ASP 90 1HB ASP 90 -7.486 8.867 2.145 1051 H ALA 91 H ALA 91 -4.860 8.362 -0.110 1052 HA ALA 91 HA ALA 91 -6.511 6.319 -1.059 1053 HB1 ALA 91 1HB ALA 91 -5.119 6.384 -3.081 1054 HB2 ALA 91 2HB ALA 91 -3.932 7.364 -2.221 1055 HB3 ALA 91 3HB ALA 91 -5.548 8.000 -2.524 1056 H VAL 92 H VAL 92 -3.102 6.246 -0.059 1057 HA VAL 92 HA VAL 92 -2.767 3.462 -0.666 1058 HB VAL 92 HB VAL 92 -1.106 5.311 1.065 1059 HG11 VAL 92 1HG1 VAL 92 -0.755 2.984 1.702 1060 HG12 VAL 92 2HG1 VAL 92 0.664 3.634 0.880 1061 HG13 VAL 92 3HG1 VAL 92 -0.438 2.562 0.018 1062 HG21 VAL 92 1HG2 VAL 92 -0.599 4.329 -1.737 1063 HG22 VAL 92 2HG2 VAL 92 0.385 5.468 -0.815 1064 HG23 VAL 92 3HG2 VAL 92 -1.241 5.920 -1.328 1065 H LYS 93 H LYS 93 -3.506 5.382 2.130 1066 HA LYS 93 HA LYS 93 -3.264 3.435 4.126 1067 HB2 LYS 93 2HB LYS 93 -3.303 5.550 4.971 1068 HB3 LYS 93 1HB LYS 93 -4.469 6.117 3.793 1069 HG2 LYS 93 2HG LYS 93 -6.244 4.936 5.047 1070 HG3 LYS 93 1HG LYS 93 -5.042 4.529 6.278 1071 HD2 LYS 93 2HD LYS 93 -4.859 6.689 7.008 1072 HD3 LYS 93 1HD LYS 93 -5.292 7.368 5.439 1073 HE2 LYS 93 2HE LYS 93 -7.325 5.830 6.964 1074 HE3 LYS 93 1HE LYS 93 -6.945 7.476 7.467 1075 HZ1 LYS 93 1HZ LYS 93 -7.972 6.595 4.813 1076 HZ2 LYS 93 2HZ LYS 93 -7.408 8.170 5.136 1077 HZ3 LYS 93 3HZ LYS 93 -8.759 7.569 5.955 1078 H ASP 94 H ASP 94 -6.141 4.640 2.414 1079 HA ASP 94 HA ASP 94 -7.929 2.819 3.642 1080 HB2 ASP 94 2HB ASP 94 -8.058 4.790 1.435 1081 HB3 ASP 94 1HB ASP 94 -9.279 3.525 1.442 1082 H LEU 95 H LEU 95 -6.092 2.726 0.660 1083 HA LEU 95 HA LEU 95 -7.408 0.396 -0.353 1084 HB2 LEU 95 2HB LEU 95 -6.004 2.144 -1.655 1085 HB3 LEU 95 1HB LEU 95 -4.619 1.209 -1.122 1086 HG LEU 95 HG LEU 95 -5.499 -0.774 -2.256 1087 HD11 LEU 95 1HD1 LEU 95 -7.707 1.037 -3.221 1088 HD12 LEU 95 2HD1 LEU 95 -7.887 -0.248 -2.027 1089 HD13 LEU 95 3HD1 LEU 95 -7.449 -0.645 -3.688 1090 HD21 LEU 95 1HD2 LEU 95 -5.378 1.672 -4.013 1091 HD22 LEU 95 2HD2 LEU 95 -5.220 0.005 -4.565 1092 HD23 LEU 95 3HD2 LEU 95 -4.007 0.695 -3.486 1093 H LEU 96 H LEU 96 -4.767 1.016 1.821 1094 HA LEU 96 HA LEU 96 -3.729 -1.626 1.752 1095 HB2 LEU 96 2HB LEU 96 -3.376 0.742 3.498 1096 HB3 LEU 96 1HB LEU 96 -2.944 -0.823 4.166 1097 HG LEU 96 HG LEU 96 -1.834 0.374 1.626 1098 HD11 LEU 96 1HD1 LEU 96 -0.586 -0.028 4.336 1099 HD12 LEU 96 2HD1 LEU 96 -1.031 1.516 3.610 1100 HD13 LEU 96 3HD1 LEU 96 0.251 0.541 2.891 1101 HD21 LEU 96 1HD2 LEU 96 -1.943 -2.048 1.498 1102 HD22 LEU 96 2HD2 LEU 96 -1.137 -2.183 3.061 1103 HD23 LEU 96 3HD2 LEU 96 -0.273 -1.512 1.677 1104 H GLN 97 H GLN 97 -5.789 0.035 4.261 1105 HA GLN 97 HA GLN 97 -6.460 -2.243 5.677 1106 HB2 GLN 97 2HB GLN 97 -8.793 -0.944 5.862 1107 HB3 GLN 97 1HB GLN 97 -7.347 -0.410 6.715 1108 HG2 GLN 97 2HG GLN 97 -6.993 0.943 4.494 1109 HG3 GLN 97 1HG GLN 97 -8.739 0.737 4.376 1110 HE21 GLN 97 1HE2 GLN 97 -7.145 0.931 7.433 1111 HE22 GLN 97 2HE2 GLN 97 -7.707 2.512 7.849 1112 H GLN 98 H GLN 98 -7.358 -1.359 2.503 1113 HA GLN 98 HA GLN 98 -9.630 -3.083 2.262 1114 HB2 GLN 98 2HB GLN 98 -8.024 -1.331 0.482 1115 HB3 GLN 98 1HB GLN 98 -8.928 -2.624 -0.286 1116 HG2 GLN 98 2HG GLN 98 -10.244 -0.758 1.641 1117 HG3 GLN 98 1HG GLN 98 -10.022 -0.321 -0.054 1118 HE21 GLN 98 1HE2 GLN 98 -11.531 -2.566 2.143 1119 HE22 GLN 98 2HE2 GLN 98 -12.734 -3.130 1.039 1120 H LEU 99 H LEU 99 -6.297 -3.212 0.973 1121 HA LEU 99 HA LEU 99 -6.709 -5.925 0.050 1122 HB2 LEU 99 2HB LEU 99 -4.305 -4.130 -0.126 1123 HB3 LEU 99 1HB LEU 99 -4.472 -5.688 -0.917 1124 HG LEU 99 HG LEU 99 -6.495 -3.555 -1.437 1125 HD11 LEU 99 1HD1 LEU 99 -4.330 -2.463 -1.764 1126 HD12 LEU 99 2HD1 LEU 99 -5.151 -2.733 -3.302 1127 HD13 LEU 99 3HD1 LEU 99 -3.822 -3.785 -2.814 1128 HD21 LEU 99 1HD2 LEU 99 -6.839 -5.856 -2.236 1129 HD22 LEU 99 2HD2 LEU 99 -5.339 -5.737 -3.158 1130 HD23 LEU 99 3HD2 LEU 99 -6.703 -4.689 -3.550 1131 H LEU 100 H LEU 100 -4.858 -4.350 2.606 1132 HA LEU 100 HA LEU 100 -2.961 -6.205 3.215 1133 HB2 LEU 100 2HB LEU 100 -4.469 -4.262 4.885 1134 HB3 LEU 100 1HB LEU 100 -3.450 -5.438 5.695 1135 HG LEU 100 HG LEU 100 -2.495 -3.524 3.565 1136 HD11 LEU 100 1HD1 LEU 100 -1.365 -2.323 5.376 1137 HD12 LEU 100 2HD1 LEU 100 -2.109 -3.397 6.562 1138 HD13 LEU 100 3HD1 LEU 100 -3.114 -2.310 5.603 1139 HD21 LEU 100 1HD2 LEU 100 -0.265 -4.235 4.293 1140 HD22 LEU 100 2HD2 LEU 100 -1.210 -5.570 3.633 1141 HD23 LEU 100 3HD2 LEU 100 -1.008 -5.411 5.378 1142 HA PRO 101 HA PRO 101 -5.765 -8.712 6.235 1143 HB2 PRO 101 2HB PRO 101 -8.475 -8.535 5.864 1144 HB3 PRO 101 1HB PRO 101 -7.567 -7.590 7.048 1145 HG2 PRO 101 2HG PRO 101 -8.540 -6.804 4.333 1146 HG3 PRO 101 1HG PRO 101 -8.529 -5.865 5.837 1147 HD2 PRO 101 2HD PRO 101 -6.698 -5.497 3.890 1148 HD3 PRO 101 1HD PRO 101 -6.309 -5.291 5.609 1149 H LYS 102 H LYS 102 -7.463 -8.298 3.077 1150 HA LYS 102 HA LYS 102 -8.124 -11.029 2.865 1151 HB2 LYS 102 2HB LYS 102 -8.635 -10.600 0.520 1152 HB3 LYS 102 1HB LYS 102 -9.306 -9.355 1.561 1153 HG2 LYS 102 2HG LYS 102 -7.656 -7.788 0.889 1154 HG3 LYS 102 1HG LYS 102 -6.723 -9.036 0.058 1155 HD2 LYS 102 2HD LYS 102 -7.810 -8.365 -1.783 1156 HD3 LYS 102 1HD LYS 102 -9.176 -9.267 -1.128 1157 HE2 LYS 102 2HE LYS 102 -8.626 -6.319 -0.835 1158 HE3 LYS 102 1HE LYS 102 -9.917 -7.071 -1.768 1159 HZ1 LYS 102 1HZ LYS 102 -9.636 -6.902 1.177 1160 HZ2 LYS 102 2HZ LYS 102 -10.679 -8.024 0.457 1161 HZ3 LYS 102 3HZ LYS 102 -10.916 -6.368 0.208 1162 H PHE 103 H PHE 103 -5.154 -9.398 2.293 1163 HA PHE 103 HA PHE 103 -4.119 -11.758 0.872 1164 HB2 PHE 103 2HB PHE 103 -3.145 -8.914 1.044 1165 HB3 PHE 103 1HB PHE 103 -2.096 -10.215 0.491 1166 HD1 PHE 103 1HD PHE 103 -2.845 -11.579 -1.509 1167 HD2 PHE 103 2HD PHE 103 -4.645 -7.886 -0.407 1168 HE1 PHE 103 1HE PHE 103 -3.762 -11.352 -3.781 1169 HE2 PHE 103 2HE PHE 103 -5.566 -7.652 -2.674 1170 HZ PHE 103 HZ PHE 103 -5.122 -9.384 -4.363 1171 H LYS 104 H LYS 104 -4.443 -10.680 3.910 1172 HA LYS 104 HA LYS 104 -1.845 -11.008 5.011 1173 HB2 LYS 104 2HB LYS 104 -3.964 -9.844 5.976 1174 HB3 LYS 104 1HB LYS 104 -4.394 -11.453 6.539 1175 HG2 LYS 104 2HG LYS 104 -2.995 -11.320 8.247 1176 HG3 LYS 104 1HG LYS 104 -1.670 -10.769 7.220 1177 HD2 LYS 104 2HD LYS 104 -3.884 -9.043 8.327 1178 HD3 LYS 104 1HD LYS 104 -2.226 -9.109 8.931 1179 HE2 LYS 104 2HE LYS 104 -1.414 -8.335 6.749 1180 HE3 LYS 104 1HE LYS 104 -3.078 -8.244 6.171 1181 HZ1 LYS 104 1HZ LYS 104 -2.082 -6.716 8.507 1182 HZ2 LYS 104 2HZ LYS 104 -3.560 -6.522 7.699 1183 HZ3 LYS 104 3HZ LYS 104 -2.111 -6.100 6.933 1184 H ARG 105 H ARG 105 -0.776 -12.889 4.911 1185 HA ARG 105 HA ARG 105 -2.176 -15.324 5.744 1186 HB2 ARG 105 2HB ARG 105 -1.581 -14.829 3.090 1187 HB3 ARG 105 1HB ARG 105 -0.223 -15.808 3.624 1188 HG2 ARG 105 2HG ARG 105 -1.521 -17.557 3.168 1189 HG3 ARG 105 1HG ARG 105 -2.370 -17.156 4.663 1190 HD2 ARG 105 2HD ARG 105 -3.092 -16.239 1.882 1191 HD3 ARG 105 1HD ARG 105 -3.959 -17.428 2.854 1192 HE ARG 105 HE ARG 105 -4.051 -15.300 4.452 1193 HH11 ARG 105 1HH1 ARG 105 -4.676 -15.552 1.014 1194 HH12 ARG 105 2HH1 ARG 105 -5.799 -14.230 0.998 1195 HH21 ARG 105 1HH2 ARG 105 -5.524 -13.573 4.430 1196 HH22 ARG 105 2HH2 ARG 105 -6.284 -13.108 2.937 1197 H LYS 106 H LYS 106 -1.111 -15.438 7.673 1198 HA LYS 106 HA LYS 106 1.809 -15.761 7.517 1199 HB2 LYS 106 2HB LYS 106 2.003 -14.866 9.762 1200 HB3 LYS 106 1HB LYS 106 1.163 -13.707 8.740 1201 HG2 LYS 106 2HG LYS 106 -0.963 -14.350 9.701 1202 HG3 LYS 106 1HG LYS 106 -0.173 -15.598 10.666 1203 HD2 LYS 106 2HD LYS 106 1.187 -13.791 11.738 1204 HD3 LYS 106 1HD LYS 106 0.186 -12.612 10.887 1205 HE2 LYS 106 2HE LYS 106 -0.679 -12.862 13.103 1206 HE3 LYS 106 1HE LYS 106 -1.811 -13.618 11.983 1207 HZ1 LYS 106 1HZ LYS 106 -1.206 -14.877 14.101 1208 HZ2 LYS 106 2HZ LYS 106 0.266 -15.214 13.348 1209 HZ3 LYS 106 3HZ LYS 106 -1.183 -15.742 12.647 1210 H ALA 107 H ALA 107 2.555 -16.976 9.627 1211 HA ALA 107 HA ALA 107 1.205 -19.525 9.560 1212 HB1 ALA 107 1HB ALA 107 3.619 -18.706 11.174 1213 HB2 ALA 107 2HB ALA 107 3.678 -19.343 9.531 1214 HB3 ALA 107 3HB ALA 107 3.070 -20.349 10.846 1215 H ASN 108 H ASN 108 -0.572 -19.720 10.719 1216 HA ASN 108 HA ASN 108 -2.047 -19.752 12.435 1217 HB2 ASN 108 2HB ASN 108 0.027 -20.887 13.498 1218 HB3 ASN 108 1HB ASN 108 0.234 -19.367 14.363 1219 HD21 ASN 108 1HD2 ASN 108 -1.574 -18.633 15.666 1220 HD22 ASN 108 2HD2 ASN 108 -2.583 -19.812 16.436 Start of MODEL 6 1 H ARG 390 2HT ARG 390 19.464 12.783 6.997 2 HA ARG 390 HA ARG 390 21.609 13.806 7.022 3 HB2 ARG 390 2HB ARG 390 20.785 16.111 7.460 4 HB3 ARG 390 1HB ARG 390 20.441 15.649 9.120 5 HG2 ARG 390 2HG ARG 390 22.493 16.806 9.154 6 HG3 ARG 390 1HG ARG 390 22.884 15.097 9.358 7 HD2 ARG 390 2HD ARG 390 22.864 15.632 6.582 8 HD3 ARG 390 1HD ARG 390 23.783 16.923 7.354 9 HE ARG 390 HE ARG 390 24.425 14.053 7.366 10 HH11 ARG 390 1HH1 ARG 390 25.283 17.342 8.234 11 HH12 ARG 390 2HH1 ARG 390 26.928 16.952 8.598 12 HH21 ARG 390 1HH2 ARG 390 26.578 13.527 7.835 13 HH22 ARG 390 2HH2 ARG 390 27.672 14.774 8.366 14 H ARG 391 H ARG 391 23.021 12.616 8.169 15 HA ARG 391 HA ARG 391 22.327 11.800 10.899 16 HB2 ARG 391 2HB ARG 391 21.999 10.124 8.667 17 HB3 ARG 391 1HB ARG 391 23.489 9.594 9.431 18 HG2 ARG 391 2HG ARG 391 22.433 8.852 11.303 19 HG3 ARG 391 1HG ARG 391 21.133 10.040 11.174 20 HD2 ARG 391 2HD ARG 391 21.493 7.554 9.504 21 HD3 ARG 391 1HD ARG 391 20.247 7.843 10.721 22 HE ARG 391 HE ARG 391 20.431 9.126 8.071 23 HH11 ARG 391 1HH1 ARG 391 18.623 8.410 10.993 24 HH12 ARG 391 2HH1 ARG 391 17.140 9.106 10.407 25 HH21 ARG 391 1HH2 ARG 391 18.509 10.033 7.295 26 HH22 ARG 391 2HH2 ARG 391 17.064 10.005 8.281 27 H ARG 392 H ARG 392 24.496 9.850 10.898 28 HA ARG 392 HA ARG 392 26.801 11.676 10.730 29 HB2 ARG 392 2HB ARG 392 25.796 10.326 12.972 30 HB3 ARG 392 1HB ARG 392 27.207 9.398 12.484 31 HG2 ARG 392 2HG ARG 392 27.765 12.228 12.446 32 HG3 ARG 392 1HG ARG 392 27.162 11.714 14.022 33 HD2 ARG 392 2HD ARG 392 29.594 11.561 13.921 34 HD3 ARG 392 1HD ARG 392 28.868 9.967 14.110 35 HE ARG 392 HE ARG 392 29.154 10.088 11.459 36 HH11 ARG 392 1HH1 ARG 392 31.402 10.889 14.026 37 HH12 ARG 392 2HH1 ARG 392 32.805 10.479 13.099 38 HH21 ARG 392 1HH2 ARG 392 30.987 9.548 10.235 39 HH22 ARG 392 2HH2 ARG 392 32.568 9.712 10.927 40 H THR 393 H THR 393 25.349 9.184 9.289 41 HA THR 393 HA THR 393 27.869 8.035 8.313 42 HB THR 393 HB THR 393 25.970 6.070 7.875 43 HG1 THR 393 1HG THR 393 25.132 5.823 10.100 44 HG21 THR 393 1HG2 THR 393 27.183 4.810 9.576 45 HG22 THR 393 2HG2 THR 393 27.873 6.303 10.211 46 HG23 THR 393 3HG2 THR 393 28.304 5.751 8.592 47 H GLU 394 H GLU 394 24.817 9.413 7.678 48 HA GLU 394 HA GLU 394 23.720 10.104 5.848 49 HB2 GLU 394 2HB GLU 394 26.537 9.981 4.942 50 HB3 GLU 394 1HB GLU 394 25.307 10.127 3.693 51 HG2 GLU 394 2HG GLU 394 26.344 12.267 4.637 52 HG3 GLU 394 1HG GLU 394 24.593 12.196 4.454 53 H ALA 395 H ALA 395 22.179 8.630 5.492 54 HA ALA 395 HA ALA 395 22.739 6.089 4.266 55 HB1 ALA 395 1HB ALA 395 20.933 6.346 5.903 56 HB2 ALA 395 2HB ALA 395 20.329 5.739 4.361 57 HB3 ALA 395 3HB ALA 395 20.088 7.430 4.798 58 H LEU 396 H LEU 396 23.831 7.049 2.405 59 HA LEU 396 HA LEU 396 23.953 7.313 0.158 60 HB2 LEU 396 2HB LEU 396 20.955 6.980 0.202 61 HB3 LEU 396 1HB LEU 396 21.935 7.050 -1.250 62 HG LEU 396 HG LEU 396 22.184 4.924 0.880 63 HD11 LEU 396 1HD1 LEU 396 20.855 4.810 -1.824 64 HD12 LEU 396 2HD1 LEU 396 20.036 4.779 -0.263 65 HD13 LEU 396 3HD1 LEU 396 21.094 3.447 -0.729 66 HD21 LEU 396 1HD2 LEU 396 23.382 5.129 -1.881 67 HD22 LEU 396 2HD2 LEU 396 23.547 3.763 -0.779 68 HD23 LEU 396 3HD2 LEU 396 24.251 5.324 -0.359 69 H GLY 397 H GLY 397 20.886 8.932 0.937 70 HA2 GLY 397 2HA GLY 397 22.149 11.484 0.151 71 HA3 GLY 397 1HA GLY 397 20.559 11.035 -0.456 72 H ASP 398 H ASP 398 22.207 11.041 2.681 73 HA ASP 398 HA ASP 398 19.790 11.642 4.091 74 HB2 ASP 398 2HB ASP 398 22.291 10.582 4.745 75 HB3 ASP 398 1HB ASP 398 22.193 12.100 5.631 76 H ALA 399 H ALA 399 19.516 13.637 2.653 77 HA ALA 399 HA ALA 399 21.023 15.955 3.574 78 HB1 ALA 399 1HB ALA 399 19.782 17.189 1.875 79 HB2 ALA 399 2HB ALA 399 18.779 15.772 1.560 80 HB3 ALA 399 3HB ALA 399 20.501 15.735 1.183 81 H GLU 400 H GLU 400 19.316 17.968 3.706 82 HA GLU 400 HA GLU 400 18.089 19.056 5.306 83 HB2 GLU 400 2HB GLU 400 16.104 16.959 4.453 84 HB3 GLU 400 1HB GLU 400 15.725 18.529 5.147 85 HG2 GLU 400 2HG GLU 400 16.188 19.653 3.220 86 HG3 GLU 400 1HG GLU 400 17.365 18.459 2.676 87 H GLU 401 H GLU 401 15.761 17.468 6.621 88 HA GLU 401 HA GLU 401 17.360 16.610 8.924 89 HB2 GLU 401 2HB GLU 401 15.521 17.077 10.290 90 HB3 GLU 401 1HB GLU 401 15.463 18.347 9.085 91 HG2 GLU 401 2HG GLU 401 13.641 16.007 9.459 92 HG3 GLU 401 1HG GLU 401 13.251 17.719 9.354 93 H ASP 402 H ASP 402 15.209 14.925 10.003 94 HA ASP 402 HA ASP 402 15.500 12.650 8.145 95 HB2 ASP 402 2HB ASP 402 16.661 12.520 10.423 96 HB3 ASP 402 1HB ASP 402 15.042 12.386 11.110 97 H GLU 403 H GLU 403 13.742 11.318 7.785 98 HA GLU 403 HA GLU 403 11.197 12.527 7.783 99 HB2 GLU 403 2HB GLU 403 12.307 9.867 7.106 100 HB3 GLU 403 1HB GLU 403 10.591 9.910 7.484 101 HG2 GLU 403 2HG GLU 403 11.010 10.107 5.088 102 HG3 GLU 403 1HG GLU 403 10.208 11.533 5.737 103 H ASP 404 H ASP 404 9.543 12.488 9.208 104 HA ASP 404 HA ASP 404 9.957 11.930 11.898 105 HB2 ASP 404 2HB ASP 404 7.366 12.133 10.331 106 HB3 ASP 404 1HB ASP 404 7.458 12.107 12.087 107 H ASP 405 H ASP 405 10.314 9.978 12.756 108 HA ASP 405 HA ASP 405 9.168 7.620 11.457 109 HB2 ASP 405 2HB ASP 405 11.343 7.949 13.526 110 HB3 ASP 405 1HB ASP 405 10.680 6.378 13.093 111 H GLU 406 H GLU 406 8.359 9.720 13.864 112 HA GLU 406 HA GLU 406 6.890 7.623 15.302 113 HB2 GLU 406 2HB GLU 406 6.765 9.499 17.132 114 HB3 GLU 406 1HB GLU 406 8.178 8.467 17.010 115 HG2 GLU 406 2HG GLU 406 8.593 10.920 17.369 116 HG3 GLU 406 1HG GLU 406 9.471 10.162 16.048 117 H ASP 407 H ASP 407 5.001 8.798 16.566 118 HA ASP 407 HA ASP 407 2.952 9.592 16.414 119 HB2 ASP 407 2HB ASP 407 4.159 11.730 16.493 120 HB3 ASP 407 1HB ASP 407 4.133 11.767 14.734 121 H PHE 408 H PHE 408 2.862 7.538 15.047 122 HA PHE 408 HA PHE 408 1.490 8.251 12.543 123 HB2 PHE 408 2HB PHE 408 3.131 5.776 13.181 124 HB3 PHE 408 1HB PHE 408 1.982 5.834 11.866 125 HD1 PHE 408 1HD PHE 408 2.734 6.341 9.787 126 HD2 PHE 408 2HD PHE 408 4.932 7.710 13.154 127 HE1 PHE 408 1HE PHE 408 4.457 7.237 8.288 128 HE2 PHE 408 2HE PHE 408 6.655 8.613 11.661 129 HZ PHE 408 HZ PHE 408 6.410 8.385 9.230 130 H VAL 409 H VAL 409 -0.537 7.786 12.543 131 HA VAL 409 HA VAL 409 -1.638 6.467 14.855 132 HB VAL 409 HB VAL 409 -3.821 7.209 13.736 133 HG11 VAL 409 1HG1 VAL 409 -1.630 9.150 14.325 134 HG12 VAL 409 2HG1 VAL 409 -2.632 8.333 15.527 135 HG13 VAL 409 3HG1 VAL 409 -3.356 9.495 14.411 136 HG21 VAL 409 1HG2 VAL 409 -1.881 8.684 12.004 137 HG22 VAL 409 2HG2 VAL 409 -3.618 8.977 12.105 138 HG23 VAL 409 3HG2 VAL 409 -3.015 7.448 11.465 139 H GLU 410 H GLU 410 -2.036 4.437 14.918 140 HA GLU 410 HA GLU 410 -1.290 2.724 12.896 141 HB2 GLU 410 2HB GLU 410 -1.572 2.171 15.349 142 HB3 GLU 410 1HB GLU 410 -3.292 1.978 15.021 143 HG2 GLU 410 2HG GLU 410 -2.891 -0.110 14.409 144 HG3 GLU 410 1HG GLU 410 -1.967 0.514 13.042 145 H VAL 411 H VAL 411 -2.174 2.134 11.126 146 HA VAL 411 HA VAL 411 -4.934 2.817 10.544 147 HB VAL 411 HB VAL 411 -2.893 1.695 8.602 148 HG11 VAL 411 1HG1 VAL 411 -5.446 3.259 8.260 149 HG12 VAL 411 2HG1 VAL 411 -5.239 1.536 7.947 150 HG13 VAL 411 3HG1 VAL 411 -4.383 2.721 6.960 151 HG21 VAL 411 1HG2 VAL 411 -2.500 3.956 7.900 152 HG22 VAL 411 2HG2 VAL 411 -1.996 3.682 9.569 153 HG23 VAL 411 3HG2 VAL 411 -3.496 4.546 9.231 154 HA PRO 412 HA PRO 412 -5.795 -1.494 11.429 155 HB2 PRO 412 2HB PRO 412 -8.446 -1.212 11.603 156 HB3 PRO 412 1HB PRO 412 -7.385 -0.561 12.860 157 HG2 PRO 412 2HG PRO 412 -8.649 0.865 10.535 158 HG3 PRO 412 1HG PRO 412 -8.598 1.353 12.240 159 HD2 PRO 412 2HD PRO 412 -6.880 2.320 10.383 160 HD3 PRO 412 1HD PRO 412 -6.432 2.109 12.088 161 H GLU 413 H GLU 413 -7.170 -3.137 10.390 162 HA GLU 413 HA GLU 413 -7.205 -2.777 7.510 163 HB2 GLU 413 2HB GLU 413 -8.168 -5.292 8.782 164 HB3 GLU 413 1HB GLU 413 -7.143 -5.070 7.371 165 HG2 GLU 413 2HG GLU 413 -5.685 -4.119 9.577 166 HG3 GLU 413 1HG GLU 413 -6.407 -5.652 10.063 167 H LYS 414 H LYS 414 -9.147 -3.202 6.235 168 HA LYS 414 HA LYS 414 -11.583 -2.813 7.834 169 HB2 LYS 414 2HB LYS 414 -10.693 -1.503 5.331 170 HB3 LYS 414 1HB LYS 414 -12.414 -1.783 5.557 171 HG2 LYS 414 2HG LYS 414 -12.596 -0.135 7.044 172 HG3 LYS 414 1HG LYS 414 -11.134 -0.630 7.901 173 HD2 LYS 414 2HD LYS 414 -10.648 1.506 7.051 174 HD3 LYS 414 1HD LYS 414 -9.843 0.377 5.961 175 HE2 LYS 414 2HE LYS 414 -11.941 0.528 4.526 176 HE3 LYS 414 1HE LYS 414 -12.370 1.930 5.506 177 HZ1 LYS 414 1HZ LYS 414 -11.202 3.003 3.908 178 HZ2 LYS 414 2HZ LYS 414 -10.292 1.635 3.496 179 HZ3 LYS 414 3HZ LYS 414 -9.874 2.550 4.857 180 H GLU 415 H GLU 415 -10.351 -4.172 4.798 181 HA GLU 415 HA GLU 415 -11.024 -5.882 3.483 182 HB2 GLU 415 2HB GLU 415 -11.694 -6.757 6.199 183 HB3 GLU 415 1HB GLU 415 -12.595 -7.581 4.934 184 HG2 GLU 415 2HG GLU 415 -9.598 -7.370 5.102 185 HG3 GLU 415 1HG GLU 415 -10.561 -8.781 5.536 186 H GLY 416 H GLY 416 -13.889 -5.580 5.571 187 HA2 GLY 416 2HA GLY 416 -15.642 -5.775 3.276 188 HA3 GLY 416 1HA GLY 416 -16.131 -5.630 4.958 189 H TYR 417 H TYR 417 -14.394 -3.716 2.553 190 HA TYR 417 HA TYR 417 -16.187 -1.459 3.056 191 HB2 TYR 417 2HB TYR 417 -14.403 -0.870 4.479 192 HB3 TYR 417 1HB TYR 417 -13.195 -1.506 3.379 193 HD1 TYR 417 1HD TYR 417 -15.366 1.373 4.127 194 HD2 TYR 417 2HD TYR 417 -12.310 -0.155 1.598 195 HE1 TYR 417 1HE TYR 417 -14.863 3.649 3.347 196 HE2 TYR 417 2HE TYR 417 -11.806 2.104 0.805 197 HH TYR 417 HH TYR 417 -12.386 4.706 2.192 198 H GLU 418 H GLU 418 -13.178 -2.018 1.263 199 HA GLU 418 HA GLU 418 -12.604 -1.859 -0.909 200 HB2 GLU 418 2HB GLU 418 -15.490 -2.646 -1.331 201 HB3 GLU 418 1HB GLU 418 -14.251 -2.658 -2.580 202 HG2 GLU 418 2HG GLU 418 -14.395 -4.371 -0.114 203 HG3 GLU 418 1HG GLU 418 -14.505 -4.883 -1.797 204 HA PRO 419 HA PRO 419 -13.794 2.147 -2.316 205 HB2 PRO 419 2HB PRO 419 -12.817 1.952 -4.927 206 HB3 PRO 419 1HB PRO 419 -11.891 2.396 -3.495 207 HG2 PRO 419 2HG PRO 419 -11.623 0.041 -5.062 208 HG3 PRO 419 1HG PRO 419 -10.783 0.435 -3.556 209 HD2 PRO 419 2HD PRO 419 -13.116 -1.322 -4.011 210 HD3 PRO 419 1HD PRO 419 -11.923 -1.340 -2.695 211 H HIS 420 H HIS 420 -15.918 0.281 -2.498 212 HA HIS 420 HA HIS 420 -17.656 1.630 -4.261 213 HB2 HIS 420 2HB HIS 420 -18.252 -0.145 -5.802 214 HB3 HIS 420 1HB HIS 420 -16.542 0.221 -5.970 215 HD1 HIS 420 1HD HIS 420 -15.007 -1.597 -4.364 216 HD2 HIS 420 2HD HIS 420 -18.728 -2.756 -5.794 217 HE1 HIS 420 1HE HIS 420 -15.028 -4.122 -4.314 218 H ILE 421 H ILE 421 -19.729 -0.128 -4.472 219 HA ILE 421 HA ILE 421 -20.384 -0.398 -1.666 220 HB ILE 421 HB ILE 421 -21.855 0.503 -3.782 221 HG12 ILE 421 2HG1 ILE 421 -23.359 -0.635 -1.501 222 HG13 ILE 421 1HG1 ILE 421 -22.036 0.461 -1.109 223 HG21 ILE 421 1HG2 ILE 421 -23.727 -1.043 -4.092 224 HG22 ILE 421 2HG2 ILE 421 -22.881 -2.259 -3.135 225 HG23 ILE 421 3HG2 ILE 421 -22.215 -1.736 -4.682 226 HD11 ILE 421 1HD1 ILE 421 -24.119 1.673 -1.251 227 HD12 ILE 421 2HD1 ILE 421 -24.385 1.071 -2.888 228 HD13 ILE 421 3HD1 ILE 421 -23.042 2.166 -2.558 229 HA PRO 422 HA PRO 422 -19.859 -4.763 -1.351 230 HB2 PRO 422 2HB PRO 422 -21.631 -5.235 0.643 231 HB3 PRO 422 1HB PRO 422 -20.097 -4.399 0.913 232 HG2 PRO 422 2HG PRO 422 -22.821 -3.223 0.445 233 HG3 PRO 422 1HG PRO 422 -21.660 -2.849 1.738 234 HD2 PRO 422 2HD PRO 422 -21.829 -1.290 -0.398 235 HD3 PRO 422 1HD PRO 422 -20.242 -1.696 0.292 236 H ASP 423 H ASP 423 -21.527 -4.122 -3.552 237 HA ASP 423 HA ASP 423 -24.090 -5.330 -3.376 238 HB2 ASP 423 2HB ASP 423 -23.445 -3.729 -5.164 239 HB3 ASP 423 1HB ASP 423 -22.371 -4.953 -5.840 240 H HIS 424 H HIS 424 -20.897 -6.522 -3.960 241 HA HIS 424 HA HIS 424 -21.596 -9.041 -5.047 242 HB2 HIS 424 2HB HIS 424 -19.235 -9.668 -4.396 243 HB3 HIS 424 1HB HIS 424 -19.379 -8.256 -5.433 244 HD1 HIS 424 1HD HIS 424 -18.429 -6.049 -4.525 245 HD2 HIS 424 2HD HIS 424 -18.523 -9.103 -1.705 246 HE1 HIS 424 1HE HIS 424 -17.159 -5.199 -2.514 247 H LEU 425 H LEU 425 -22.185 -7.824 -2.039 248 HA LEU 425 HA LEU 425 -22.202 -10.506 -0.833 249 HB2 LEU 425 2HB LEU 425 -21.816 -7.823 0.498 250 HB3 LEU 425 1HB LEU 425 -22.109 -9.310 1.376 251 HG LEU 425 HG LEU 425 -19.735 -8.847 -0.426 252 HD11 LEU 425 1HD1 LEU 425 -19.656 -7.354 1.495 253 HD12 LEU 425 2HD1 LEU 425 -18.442 -8.624 1.634 254 HD13 LEU 425 3HD1 LEU 425 -19.928 -8.719 2.578 255 HD21 LEU 425 1HD2 LEU 425 -20.334 -11.024 1.572 256 HD22 LEU 425 2HD2 LEU 425 -18.847 -10.853 0.641 257 HD23 LEU 425 3HD2 LEU 425 -20.369 -11.194 -0.182 258 H ARG 426 H ARG 426 -24.167 -8.946 -2.468 259 HA ARG 426 HA ARG 426 -26.350 -8.673 -0.526 260 HB2 ARG 426 2HB ARG 426 -26.086 -6.737 -1.951 261 HB3 ARG 426 1HB ARG 426 -26.110 -7.741 -3.395 262 HG2 ARG 426 2HG ARG 426 -28.413 -8.217 -3.141 263 HG3 ARG 426 1HG ARG 426 -28.440 -7.561 -1.506 264 HD2 ARG 426 2HD ARG 426 -29.478 -6.011 -3.057 265 HD3 ARG 426 1HD ARG 426 -27.994 -5.323 -2.406 266 HE ARG 426 HE ARG 426 -26.928 -5.812 -4.535 267 HH11 ARG 426 1HH1 ARG 426 -30.451 -5.992 -4.494 268 HH12 ARG 426 2HH1 ARG 426 -30.589 -5.694 -6.210 269 HH21 ARG 426 1HH2 ARG 426 -27.123 -5.436 -6.736 270 HH22 ARG 426 2HH2 ARG 426 -28.701 -5.408 -7.494 271 HA PRO 427 HA PRO 427 -27.613 -12.684 -2.161 272 HB2 PRO 427 2HB PRO 427 -29.167 -13.375 -0.089 273 HB3 PRO 427 1HB PRO 427 -27.405 -13.406 0.036 274 HG2 PRO 427 2HG PRO 427 -29.339 -11.353 1.030 275 HG3 PRO 427 1HG PRO 427 -27.893 -12.006 1.823 276 HD2 PRO 427 2HD PRO 427 -27.986 -9.597 0.489 277 HD3 PRO 427 1HD PRO 427 -26.507 -10.539 0.753 278 H GLU 428 H GLU 428 -28.790 -10.206 -3.014 279 HA GLU 428 HA GLU 428 -31.476 -11.112 -3.600 280 HB2 GLU 428 2HB GLU 428 -31.907 -9.861 -1.590 281 HB3 GLU 428 1HB GLU 428 -30.867 -8.548 -2.111 282 HG2 GLU 428 2HG GLU 428 -33.264 -9.227 -3.741 283 HG3 GLU 428 1HG GLU 428 -33.468 -8.343 -2.230 284 H TYR 429 H TYR 429 -32.151 -10.379 -5.586 285 HA TYR 429 HA TYR 429 -30.766 -8.213 -6.912 286 HB2 TYR 429 2HB TYR 429 -30.368 -11.079 -7.632 287 HB3 TYR 429 1HB TYR 429 -30.571 -9.940 -8.958 288 HD1 TYR 429 1HD TYR 429 -28.996 -7.914 -9.022 289 HD2 TYR 429 2HD TYR 429 -28.285 -11.337 -6.599 290 HE1 TYR 429 1HE TYR 429 -26.618 -7.305 -8.872 291 HE2 TYR 429 2HE TYR 429 -25.905 -10.737 -6.439 292 HH TYR 429 HH TYR 429 -24.692 -7.699 -7.373 293 H GLY 430 H GLY 430 -33.135 -7.733 -6.317 294 HA2 GLY 430 2HA GLY 430 -34.705 -8.207 -8.754 295 HA3 GLY 430 1HA GLY 430 -35.425 -8.649 -7.215 296 H LEU 431 H LEU 431 -33.663 -6.133 -6.313 297 HA LEU 431 HA LEU 431 -35.866 -4.350 -6.183 298 HB2 LEU 431 2HB LEU 431 -32.934 -4.054 -5.590 299 HB3 LEU 431 1HB LEU 431 -34.032 -2.695 -5.462 300 HG LEU 431 HG LEU 431 -34.223 -5.266 -3.888 301 HD11 LEU 431 1HD1 LEU 431 -33.632 -3.859 -1.977 302 HD12 LEU 431 2HD1 LEU 431 -33.419 -2.482 -3.058 303 HD13 LEU 431 3HD1 LEU 431 -32.352 -3.879 -3.190 304 HD21 LEU 431 1HD2 LEU 431 -35.981 -4.100 -2.632 305 HD22 LEU 431 2HD2 LEU 431 -36.424 -4.326 -4.325 306 HD23 LEU 431 3HD2 LEU 431 -35.879 -2.747 -3.759 307 H GLU 432 H GLU 432 -33.123 -4.663 -8.323 308 HA GLU 432 HA GLU 432 -33.554 -2.172 -9.675 309 HB2 GLU 432 2HB GLU 432 -31.994 -4.543 -10.702 310 HB3 GLU 432 1HB GLU 432 -31.796 -2.854 -11.145 311 HG2 GLU 432 2HG GLU 432 -30.068 -2.998 -9.714 312 HG3 GLU 432 1HG GLU 432 -31.324 -2.658 -8.526 313 H ALA 433 H ALA 433 -35.909 -2.658 -9.952 314 HA ALA 433 HA ALA 433 -36.386 -4.235 -12.396 315 HB1 ALA 433 1HB ALA 433 -37.597 -5.052 -10.427 316 HB2 ALA 433 2HB ALA 433 -38.700 -4.452 -11.665 317 HB3 ALA 433 3HB ALA 433 -38.356 -3.470 -10.241 318 H ALA 434 H ALA 434 -35.683 -1.259 -11.656 319 HA ALA 434 HA ALA 434 -37.076 -0.103 -13.872 320 HB1 ALA 434 1HB ALA 434 -38.797 0.158 -12.151 321 HB2 ALA 434 2HB ALA 434 -38.130 1.723 -12.615 322 HB3 ALA 434 3HB ALA 434 -37.634 0.966 -11.101 323 H MET 1 2HT MET 1 -0.765 -9.953 -10.415 324 HA MET 1 HA MET 1 -0.606 -12.441 -10.294 325 HB2 MET 1 2HB MET 1 0.191 -12.615 -12.642 326 HB3 MET 1 1HB MET 1 -0.977 -11.323 -12.399 327 HG2 MET 1 2HG MET 1 0.883 -9.703 -12.319 328 HG3 MET 1 1HG MET 1 2.006 -11.018 -12.665 329 HE1 MET 1 1HE MET 1 -0.825 -8.685 -14.092 330 HE2 MET 1 2HE MET 1 -1.592 -10.271 -14.000 331 HE3 MET 1 3HE MET 1 -1.258 -9.543 -15.571 332 H ALA 2 H ALA 2 1.486 -11.603 -8.496 333 HA ALA 2 HA ALA 2 3.582 -12.113 -7.746 334 HB1 ALA 2 1HB ALA 2 4.050 -14.489 -7.701 335 HB2 ALA 2 2HB ALA 2 2.884 -14.763 -8.995 336 HB3 ALA 2 3HB ALA 2 2.335 -14.194 -7.419 337 H THR 3 H THR 3 4.731 -10.675 -9.184 338 HA THR 3 HA THR 3 6.601 -12.151 -10.876 339 HB THR 3 HB THR 3 5.634 -9.661 -12.140 340 HG1 THR 3 1HG THR 3 4.030 -12.013 -11.947 341 HG21 THR 3 1HG2 THR 3 6.227 -12.440 -13.169 342 HG22 THR 3 2HG2 THR 3 7.330 -11.065 -13.192 343 HG23 THR 3 3HG2 THR 3 5.865 -11.034 -14.171 344 H SER 4 H SER 4 6.143 -9.987 -8.485 345 HA SER 4 HA SER 4 7.516 -8.577 -7.352 346 HB2 SER 4 2HB SER 4 9.619 -9.167 -9.449 347 HB3 SER 4 1HB SER 4 9.888 -8.459 -7.856 348 HG SER 4 HG SER 4 9.526 -11.082 -8.581 349 H SER 5 H SER 5 6.154 -8.075 -10.115 350 HA SER 5 HA SER 5 6.338 -5.225 -10.041 351 HB2 SER 5 2HB SER 5 7.314 -6.699 -12.517 352 HB3 SER 5 1HB SER 5 7.004 -4.966 -12.426 353 HG SER 5 HG SER 5 8.647 -5.797 -10.429 354 H GLU 6 H GLU 6 4.326 -6.666 -9.376 355 HA GLU 6 HA GLU 6 2.641 -7.653 -11.421 356 HB2 GLU 6 2HB GLU 6 2.048 -6.836 -8.576 357 HB3 GLU 6 1HB GLU 6 0.933 -7.704 -9.622 358 HG2 GLU 6 2HG GLU 6 1.852 -9.397 -8.369 359 HG3 GLU 6 1HG GLU 6 2.842 -9.432 -9.826 360 H GLU 7 H GLU 7 0.278 -6.858 -11.336 361 HA GLU 7 HA GLU 7 0.125 -4.459 -12.747 362 HB2 GLU 7 2HB GLU 7 -2.381 -4.691 -12.271 363 HB3 GLU 7 1HB GLU 7 -1.601 -6.016 -13.120 364 HG2 GLU 7 2HG GLU 7 -1.832 -6.175 -10.161 365 HG3 GLU 7 1HG GLU 7 -3.277 -6.430 -11.134 366 H VAL 8 H VAL 8 0.122 -2.430 -12.127 367 HA VAL 8 HA VAL 8 0.151 -1.760 -9.325 368 HB VAL 8 HB VAL 8 0.168 0.222 -11.592 369 HG11 VAL 8 1HG1 VAL 8 1.517 1.536 -10.012 370 HG12 VAL 8 2HG1 VAL 8 1.351 0.247 -8.819 371 HG13 VAL 8 3HG1 VAL 8 -0.072 1.137 -9.359 372 HG21 VAL 8 1HG2 VAL 8 2.594 0.044 -11.674 373 HG22 VAL 8 2HG2 VAL 8 1.846 -1.499 -12.087 374 HG23 VAL 8 3HG2 VAL 8 2.554 -1.260 -10.488 375 H LEU 9 H LEU 9 -1.605 -1.300 -8.201 376 HA LEU 9 HA LEU 9 -4.084 -0.641 -9.605 377 HB2 LEU 9 2HB LEU 9 -3.687 -1.207 -6.667 378 HB3 LEU 9 1HB LEU 9 -5.210 -1.140 -7.529 379 HG LEU 9 HG LEU 9 -3.068 -3.238 -7.875 380 HD11 LEU 9 1HD1 LEU 9 -4.339 -3.383 -5.770 381 HD12 LEU 9 2HD1 LEU 9 -4.664 -4.738 -6.850 382 HD13 LEU 9 3HD1 LEU 9 -5.837 -3.431 -6.699 383 HD21 LEU 9 1HD2 LEU 9 -5.777 -2.988 -9.177 384 HD22 LEU 9 2HD2 LEU 9 -4.686 -4.366 -9.321 385 HD23 LEU 9 3HD2 LEU 9 -4.218 -2.799 -9.979 386 H LEU 10 H LEU 10 -1.746 0.690 -7.358 387 HA LEU 10 HA LEU 10 -3.146 3.281 -7.576 388 HB2 LEU 10 2HB LEU 10 -3.470 2.046 -5.352 389 HB3 LEU 10 1HB LEU 10 -1.785 2.431 -5.036 390 HG LEU 10 HG LEU 10 -2.409 4.865 -5.422 391 HD11 LEU 10 1HD1 LEU 10 -4.484 4.697 -6.546 392 HD12 LEU 10 2HD1 LEU 10 -4.824 5.368 -4.950 393 HD13 LEU 10 3HD1 LEU 10 -5.161 3.669 -5.282 394 HD21 LEU 10 1HD2 LEU 10 -3.294 5.126 -3.157 395 HD22 LEU 10 2HD2 LEU 10 -1.988 3.941 -3.210 396 HD23 LEU 10 3HD2 LEU 10 -3.664 3.402 -3.107 397 H ILE 11 H ILE 11 -1.876 4.972 -8.053 398 HA ILE 11 HA ILE 11 1.037 4.575 -7.899 399 HB ILE 11 HB ILE 11 -0.499 6.039 -10.053 400 HG12 ILE 11 2HG1 ILE 11 1.203 3.539 -10.180 401 HG13 ILE 11 1HG1 ILE 11 -0.555 3.581 -10.256 402 HG21 ILE 11 1HG2 ILE 11 2.477 5.694 -9.699 403 HG22 ILE 11 2HG2 ILE 11 1.572 7.199 -9.536 404 HG23 ILE 11 3HG2 ILE 11 1.688 6.407 -11.106 405 HD11 ILE 11 1HD1 ILE 11 1.329 4.798 -12.261 406 HD12 ILE 11 2HD1 ILE 11 -0.433 4.837 -12.341 407 HD13 ILE 11 3HD1 ILE 11 0.423 3.299 -12.457 408 H VAL 12 H VAL 12 1.826 5.843 -6.379 409 HA VAL 12 HA VAL 12 0.731 8.570 -6.055 410 HB VAL 12 HB VAL 12 2.241 6.898 -4.031 411 HG11 VAL 12 1HG1 VAL 12 1.705 8.671 -2.454 412 HG12 VAL 12 2HG1 VAL 12 0.897 9.582 -3.731 413 HG13 VAL 12 3HG1 VAL 12 2.638 9.307 -3.808 414 HG21 VAL 12 1HG2 VAL 12 -0.680 7.639 -4.164 415 HG22 VAL 12 2HG2 VAL 12 0.106 6.800 -2.826 416 HG23 VAL 12 3HG2 VAL 12 0.001 6.030 -4.409 417 H LYS 13 H LYS 13 2.112 10.245 -6.422 418 HA LYS 13 HA LYS 13 4.851 9.502 -7.173 419 HB2 LYS 13 2HB LYS 13 2.959 11.578 -8.126 420 HB3 LYS 13 1HB LYS 13 4.669 11.993 -8.125 421 HG2 LYS 13 2HG LYS 13 3.362 9.688 -9.555 422 HG3 LYS 13 1HG LYS 13 4.096 11.124 -10.277 423 HD2 LYS 13 2HD LYS 13 6.276 10.449 -9.356 424 HD3 LYS 13 1HD LYS 13 5.530 8.998 -8.688 425 HE2 LYS 13 2HE LYS 13 4.946 8.260 -10.948 426 HE3 LYS 13 1HE LYS 13 5.694 9.712 -11.615 427 HZ1 LYS 13 1HZ LYS 13 7.367 8.163 -11.807 428 HZ2 LYS 13 2HZ LYS 13 6.977 7.374 -10.364 429 HZ3 LYS 13 3HZ LYS 13 7.763 8.881 -10.324 430 H LYS 14 H LYS 14 6.544 11.090 -6.749 431 HA LYS 14 HA LYS 14 7.909 12.037 -5.238 432 HB2 LYS 14 2HB LYS 14 5.479 13.682 -5.384 433 HB3 LYS 14 1HB LYS 14 6.589 14.063 -4.068 434 HG2 LYS 14 2HG LYS 14 8.208 14.813 -5.483 435 HG3 LYS 14 1HG LYS 14 7.738 13.714 -6.780 436 HD2 LYS 14 2HD LYS 14 6.952 15.613 -7.719 437 HD3 LYS 14 1HD LYS 14 5.556 15.283 -6.693 438 HE2 LYS 14 2HE LYS 14 7.823 16.881 -5.596 439 HE3 LYS 14 1HE LYS 14 6.694 17.650 -6.710 440 HZ1 LYS 14 1HZ LYS 14 5.813 18.063 -4.615 441 HZ2 LYS 14 2HZ LYS 14 6.151 16.499 -4.045 442 HZ3 LYS 14 3HZ LYS 14 4.902 16.740 -5.170 443 H VAL 15 H VAL 15 7.836 10.031 -4.064 444 HA VAL 15 HA VAL 15 6.813 10.424 -1.329 445 HB VAL 15 HB VAL 15 7.048 7.777 -2.787 446 HG11 VAL 15 1HG1 VAL 15 7.475 7.383 -0.494 447 HG12 VAL 15 2HG1 VAL 15 5.784 6.952 -0.753 448 HG13 VAL 15 3HG1 VAL 15 6.196 8.487 0.010 449 HG21 VAL 15 1HG2 VAL 15 4.585 9.305 -1.949 450 HG22 VAL 15 2HG2 VAL 15 4.613 7.708 -2.700 451 HG23 VAL 15 3HG2 VAL 15 5.171 9.117 -3.602 452 H ARG 16 H ARG 16 8.399 10.499 0.115 453 HA ARG 16 HA ARG 16 11.086 9.689 -0.718 454 HB2 ARG 16 2HB ARG 16 10.032 11.562 1.374 455 HB3 ARG 16 1HB ARG 16 11.680 10.962 1.458 456 HG2 ARG 16 2HG ARG 16 12.241 11.976 -0.610 457 HG3 ARG 16 1HG ARG 16 10.552 12.377 -0.938 458 HD2 ARG 16 2HD ARG 16 10.513 14.065 0.644 459 HD3 ARG 16 1HD ARG 16 11.889 13.405 1.530 460 HE ARG 16 HE ARG 16 12.466 14.340 -1.162 461 HH11 ARG 16 1HH1 ARG 16 12.297 15.168 2.237 462 HH12 ARG 16 2HH1 ARG 16 13.462 16.460 2.125 463 HH21 ARG 16 1HH2 ARG 16 14.014 16.018 -1.310 464 HH22 ARG 16 2HH2 ARG 16 14.469 16.916 0.117 465 H GLN 17 H GLN 17 12.193 8.145 0.188 466 HA GLN 17 HA GLN 17 11.163 6.868 2.638 467 HB2 GLN 17 2HB GLN 17 10.952 5.275 0.857 468 HB3 GLN 17 1HB GLN 17 12.531 5.685 0.211 469 HG2 GLN 17 2HG GLN 17 12.435 3.489 1.351 470 HG3 GLN 17 1HG GLN 17 13.636 4.590 2.023 471 HE21 GLN 17 1HE2 GLN 17 10.624 2.979 2.539 472 HE22 GLN 17 2HE2 GLN 17 10.505 3.298 4.230 473 H LYS 18 H LYS 18 12.382 7.741 4.195 474 HA LYS 18 HA LYS 18 14.121 8.660 5.306 475 HB2 LYS 18 2HB LYS 18 14.977 6.060 4.243 476 HB3 LYS 18 1HB LYS 18 16.252 7.068 4.915 477 HG2 LYS 18 2HG LYS 18 13.876 5.858 6.262 478 HG3 LYS 18 1HG LYS 18 15.576 5.810 6.737 479 HD2 LYS 18 2HD LYS 18 15.402 8.299 7.149 480 HD3 LYS 18 1HD LYS 18 13.658 8.127 6.948 481 HE2 LYS 18 2HE LYS 18 13.813 6.326 8.752 482 HE3 LYS 18 1HE LYS 18 15.428 6.955 9.069 483 HZ1 LYS 18 1HZ LYS 18 12.945 8.575 9.171 484 HZ2 LYS 18 2HZ LYS 18 14.502 9.082 9.603 485 HZ3 LYS 18 3HZ LYS 18 13.703 7.899 10.524 486 H LYS 19 H LYS 19 13.930 10.426 3.718 487 HA LYS 19 HA LYS 19 14.781 12.095 2.517 488 HB2 LYS 19 2HB LYS 19 17.073 10.844 3.816 489 HB3 LYS 19 1HB LYS 19 17.463 11.963 2.509 490 HG2 LYS 19 2HG LYS 19 15.868 12.521 5.003 491 HG3 LYS 19 1HG LYS 19 17.452 13.172 4.572 492 HD2 LYS 19 2HD LYS 19 16.560 14.530 2.880 493 HD3 LYS 19 1HD LYS 19 15.047 13.624 2.829 494 HE2 LYS 19 2HE LYS 19 15.985 15.355 5.118 495 HE3 LYS 19 1HE LYS 19 14.790 15.822 3.907 496 HZ1 LYS 19 1HZ LYS 19 14.537 13.601 5.862 497 HZ2 LYS 19 2HZ LYS 19 13.403 13.946 4.658 498 HZ3 LYS 19 3HZ LYS 19 13.690 15.068 5.898 499 H GLN 20 H GLN 20 14.512 9.283 1.199 500 HA GLN 20 HA GLN 20 16.025 10.008 -1.224 501 HB2 GLN 20 2HB GLN 20 15.039 7.331 -0.229 502 HB3 GLN 20 1HB GLN 20 15.603 7.583 -1.876 503 HG2 GLN 20 2HG GLN 20 17.779 7.769 -1.255 504 HG3 GLN 20 1HG GLN 20 17.387 8.440 0.328 505 HE21 GLN 20 1HE2 GLN 20 16.973 7.077 2.032 506 HE22 GLN 20 2HE2 GLN 20 17.312 5.382 1.972 507 H ASP 21 H ASP 21 14.799 10.921 -2.757 508 HA ASP 21 HA ASP 21 11.930 10.814 -2.579 509 HB2 ASP 21 2HB ASP 21 13.894 12.440 -3.989 510 HB3 ASP 21 1HB ASP 21 12.511 12.031 -5.000 511 H GLY 22 H GLY 22 10.501 9.877 -3.922 512 HA2 GLY 22 2HA GLY 22 11.185 8.585 -6.356 513 HA3 GLY 22 1HA GLY 22 11.060 7.420 -5.044 514 H ALA 23 H ALA 23 9.247 6.398 -5.813 515 HA ALA 23 HA ALA 23 6.758 7.859 -5.390 516 HB1 ALA 23 1HB ALA 23 7.231 8.075 -7.790 517 HB2 ALA 23 2HB ALA 23 5.790 7.105 -7.483 518 HB3 ALA 23 3HB ALA 23 7.307 6.318 -7.922 519 H LEU 24 H LEU 24 5.064 6.575 -4.740 520 HA LEU 24 HA LEU 24 5.807 3.819 -4.035 521 HB2 LEU 24 2HB LEU 24 5.188 5.430 -2.207 522 HB3 LEU 24 1HB LEU 24 3.571 5.480 -2.884 523 HG LEU 24 HG LEU 24 3.608 2.912 -2.588 524 HD11 LEU 24 1HD1 LEU 24 5.002 2.133 -0.741 525 HD12 LEU 24 2HD1 LEU 24 5.794 3.707 -0.678 526 HD13 LEU 24 3HD1 LEU 24 5.971 2.686 -2.106 527 HD21 LEU 24 1HD2 LEU 24 3.500 4.737 -0.189 528 HD22 LEU 24 2HD2 LEU 24 2.786 3.129 -0.299 529 HD23 LEU 24 3HD2 LEU 24 2.178 4.434 -1.316 530 H TYR 25 H TYR 25 4.798 2.178 -4.958 531 HA TYR 25 HA TYR 25 2.331 2.744 -6.469 532 HB2 TYR 25 2HB TYR 25 4.461 0.723 -7.202 533 HB3 TYR 25 1HB TYR 25 3.033 1.134 -8.143 534 HD1 TYR 25 1HD TYR 25 6.442 2.060 -7.300 535 HD2 TYR 25 2HD TYR 25 2.904 3.333 -9.293 536 HE1 TYR 25 1HE TYR 25 7.743 3.759 -8.512 537 HE2 TYR 25 2HE TYR 25 4.197 5.037 -10.509 538 HH TYR 25 HH TYR 25 7.627 5.078 -10.529 539 H LEU 26 H LEU 26 0.623 1.627 -5.808 540 HA LEU 26 HA LEU 26 1.019 -0.642 -4.015 541 HB2 LEU 26 2HB LEU 26 -1.511 0.784 -4.838 542 HB3 LEU 26 1HB LEU 26 -1.444 -0.561 -3.719 543 HG LEU 26 HG LEU 26 -0.630 2.270 -3.321 544 HD11 LEU 26 1HD1 LEU 26 -2.037 0.229 -1.608 545 HD12 LEU 26 2HD1 LEU 26 -2.806 1.510 -2.546 546 HD13 LEU 26 3HD1 LEU 26 -1.768 1.919 -1.181 547 HD21 LEU 26 1HD2 LEU 26 1.403 1.086 -2.813 548 HD22 LEU 26 2HD2 LEU 26 0.516 -0.053 -1.799 549 HD23 LEU 26 3HD2 LEU 26 0.639 1.641 -1.324 550 H MET 27 H MET 27 0.985 -2.647 -4.782 551 HA MET 27 HA MET 27 -0.135 -3.056 -7.470 552 HB2 MET 27 2HB MET 27 1.597 -5.111 -6.201 553 HB3 MET 27 1HB MET 27 1.465 -4.606 -7.881 554 HG2 MET 27 2HG MET 27 2.824 -3.035 -5.712 555 HG3 MET 27 1HG MET 27 3.638 -4.051 -6.898 556 HE1 MET 27 1HE MET 27 3.671 -3.596 -9.441 557 HE2 MET 27 2HE MET 27 4.971 -2.816 -8.537 558 HE3 MET 27 3HE MET 27 4.151 -1.945 -9.834 559 H ALA 28 H ALA 28 -1.027 -5.276 -7.815 560 HA ALA 28 HA ALA 28 -3.288 -5.695 -6.347 561 HB1 ALA 28 1HB ALA 28 -2.843 -6.636 -8.570 562 HB2 ALA 28 2HB ALA 28 -3.494 -7.827 -7.445 563 HB3 ALA 28 3HB ALA 28 -1.773 -7.829 -7.832 564 H GLU 29 H GLU 29 -0.276 -7.632 -5.961 565 HA GLU 29 HA GLU 29 -1.397 -8.536 -3.392 566 HB2 GLU 29 2HB GLU 29 0.896 -9.874 -4.795 567 HB3 GLU 29 1HB GLU 29 -0.186 -10.539 -3.582 568 HG2 GLU 29 2HG GLU 29 -1.169 -11.525 -5.325 569 HG3 GLU 29 1HG GLU 29 -1.935 -9.955 -5.567 570 H ARG 30 H ARG 30 0.543 -6.100 -4.186 571 HA ARG 30 HA ARG 30 1.999 -6.291 -1.715 572 HB2 ARG 30 2HB ARG 30 4.195 -6.521 -2.449 573 HB3 ARG 30 1HB ARG 30 3.327 -7.680 -3.445 574 HG2 ARG 30 2HG ARG 30 3.403 -6.236 -5.337 575 HG3 ARG 30 1HG ARG 30 3.994 -4.889 -4.361 576 HD2 ARG 30 2HD ARG 30 5.925 -5.641 -5.385 577 HD3 ARG 30 1HD ARG 30 5.976 -6.476 -3.833 578 HE ARG 30 HE ARG 30 4.857 -7.807 -6.209 579 HH11 ARG 30 1HH1 ARG 30 7.359 -7.608 -3.756 580 HH12 ARG 30 2HH1 ARG 30 7.866 -9.251 -3.965 581 HH21 ARG 30 1HH2 ARG 30 5.516 -9.949 -6.495 582 HH22 ARG 30 2HH2 ARG 30 6.822 -10.591 -5.540 583 H ILE 31 H ILE 31 3.591 -4.486 -1.467 584 HA ILE 31 HA ILE 31 2.738 -2.089 -2.942 585 HB ILE 31 HB ILE 31 1.797 -1.765 -0.789 586 HG12 ILE 31 2HG1 ILE 31 4.515 -0.436 -0.690 587 HG13 ILE 31 1HG1 ILE 31 3.137 0.154 -1.613 588 HG21 ILE 31 1HG2 ILE 31 2.831 -3.589 0.390 589 HG22 ILE 31 2HG2 ILE 31 3.050 -2.101 1.310 590 HG23 ILE 31 3HG2 ILE 31 4.390 -2.762 0.373 591 HD11 ILE 31 1HD1 ILE 31 1.886 0.446 0.478 592 HD12 ILE 31 2HD1 ILE 31 3.374 1.392 0.445 593 HD13 ILE 31 3HD1 ILE 31 3.299 -0.101 1.381 594 H ALA 32 H ALA 32 4.412 -0.990 -3.858 595 HA ALA 32 HA ALA 32 7.103 -1.608 -2.866 596 HB1 ALA 32 1HB ALA 32 7.928 -1.867 -5.142 597 HB2 ALA 32 2HB ALA 32 6.290 -1.656 -5.762 598 HB3 ALA 32 3HB ALA 32 6.683 -3.058 -4.767 599 H TRP 33 H TRP 33 8.669 -0.079 -3.205 600 HA TRP 33 HA TRP 33 7.739 2.551 -4.148 601 HB2 TRP 33 2HB TRP 33 7.896 2.625 -1.719 602 HB3 TRP 33 1HB TRP 33 9.510 1.932 -1.771 603 HD1 TRP 33 HD TRP 33 7.641 5.207 -2.396 604 HE1 TRP 33 1HE TRP 33 9.353 7.131 -2.496 605 HE3 TRP 33 3HE TRP 33 11.954 2.463 -2.282 606 HZ2 TRP 33 2HZ TRP 33 12.154 7.435 -2.524 607 HZ3 TRP 33 3HZ TRP 33 14.108 3.650 -2.348 608 HH2 TRP 33 HH TRP 33 14.203 6.085 -2.468 609 H ALA 34 H ALA 34 9.039 3.535 -5.578 610 HA ALA 34 HA ALA 34 11.754 2.470 -5.971 611 HB1 ALA 34 1HB ALA 34 11.462 2.559 -8.387 612 HB2 ALA 34 2HB ALA 34 9.793 3.094 -8.181 613 HB3 ALA 34 3HB ALA 34 10.272 1.477 -7.662 614 HA PRO 35 HA PRO 35 12.798 6.786 -5.748 615 HB2 PRO 35 2HB PRO 35 15.157 6.034 -7.373 616 HB3 PRO 35 1HB PRO 35 15.088 6.782 -5.773 617 HG2 PRO 35 2HG PRO 35 15.832 4.229 -6.085 618 HG3 PRO 35 1HG PRO 35 14.880 4.754 -4.684 619 HD2 PRO 35 2HD PRO 35 13.991 3.307 -7.147 620 HD3 PRO 35 1HD PRO 35 13.480 3.083 -5.461 621 H GLU 36 H GLU 36 12.476 8.522 -7.074 622 HA GLU 36 HA GLU 36 11.097 8.226 -9.440 623 HB2 GLU 36 2HB GLU 36 11.349 10.283 -7.896 624 HB3 GLU 36 1HB GLU 36 12.720 10.692 -8.922 625 HG2 GLU 36 2HG GLU 36 10.474 11.734 -9.496 626 HG3 GLU 36 1HG GLU 36 11.376 10.977 -10.809 627 H GLY 37 H GLY 37 11.522 8.211 -11.547 628 HA2 GLY 37 2HA GLY 37 12.798 8.382 -13.500 629 HA3 GLY 37 1HA GLY 37 14.233 8.637 -12.520 630 H LYS 38 H LYS 38 12.853 6.060 -11.104 631 HA LYS 38 HA LYS 38 14.290 4.185 -12.862 632 HB2 LYS 38 2HB LYS 38 14.226 4.460 -9.908 633 HB3 LYS 38 1HB LYS 38 14.282 2.826 -10.559 634 HG2 LYS 38 2HG LYS 38 16.420 3.017 -11.167 635 HG3 LYS 38 1HG LYS 38 16.182 4.634 -11.829 636 HD2 LYS 38 2HD LYS 38 16.525 3.958 -8.909 637 HD3 LYS 38 1HD LYS 38 17.767 4.638 -9.959 638 HE2 LYS 38 2HE LYS 38 15.164 5.930 -9.159 639 HE3 LYS 38 1HE LYS 38 16.781 6.397 -8.636 640 HZ1 LYS 38 1HZ LYS 38 15.907 6.455 -11.467 641 HZ2 LYS 38 2HZ LYS 38 17.307 7.137 -10.807 642 HZ3 LYS 38 3HZ LYS 38 15.788 7.791 -10.433 643 H ASP 39 H ASP 39 13.386 2.206 -13.325 644 HA ASP 39 HA ASP 39 10.492 2.074 -12.985 645 HB2 ASP 39 2HB ASP 39 10.454 1.079 -15.010 646 HB3 ASP 39 1HB ASP 39 12.131 1.594 -15.149 647 H ARG 40 H ARG 40 13.249 0.837 -11.548 648 HA ARG 40 HA ARG 40 11.895 -1.621 -10.703 649 HB2 ARG 40 2HB ARG 40 14.466 -1.241 -11.628 650 HB3 ARG 40 1HB ARG 40 14.683 -1.309 -9.884 651 HG2 ARG 40 2HG ARG 40 14.838 -3.518 -10.304 652 HG3 ARG 40 1HG ARG 40 13.081 -3.420 -10.186 653 HD2 ARG 40 2HD ARG 40 14.689 -3.301 -12.736 654 HD3 ARG 40 1HD ARG 40 13.795 -4.702 -12.152 655 HE ARG 40 HE ARG 40 12.727 -2.348 -13.461 656 HH11 ARG 40 1HH1 ARG 40 11.970 -5.102 -11.406 657 HH12 ARG 40 2HH1 ARG 40 10.290 -5.127 -11.842 658 HH21 ARG 40 1HH2 ARG 40 10.537 -2.399 -14.052 659 HH22 ARG 40 2HH2 ARG 40 9.478 -3.591 -13.343 660 H PHE 41 H PHE 41 11.240 -1.870 -8.713 661 HA PHE 41 HA PHE 41 11.441 0.323 -6.852 662 HB2 PHE 41 2HB PHE 41 10.143 -2.267 -6.131 663 HB3 PHE 41 1HB PHE 41 9.632 -0.620 -5.776 664 HD1 PHE 41 1HD PHE 41 9.349 -3.418 -8.027 665 HD2 PHE 41 2HD PHE 41 8.561 0.740 -7.578 666 HE1 PHE 41 1HE PHE 41 7.757 -3.522 -9.898 667 HE2 PHE 41 2HE PHE 41 6.966 0.641 -9.448 668 HZ PHE 41 HZ PHE 41 6.562 -1.492 -10.611 669 H THR 42 H THR 42 12.710 0.421 -5.101 670 HA THR 42 HA THR 42 14.592 -1.741 -4.626 671 HB THR 42 HB THR 42 15.289 0.054 -2.773 672 HG1 THR 42 1HG THR 42 14.518 2.020 -3.154 673 HG21 THR 42 1HG2 THR 42 16.711 -0.687 -4.616 674 HG22 THR 42 2HG2 THR 42 16.798 1.065 -4.433 675 HG23 THR 42 3HG2 THR 42 15.832 0.360 -5.731 676 H ILE 43 H ILE 43 11.757 -0.331 -3.257 677 HA ILE 43 HA ILE 43 11.985 -2.038 -0.865 678 HB ILE 43 HB ILE 43 10.209 0.365 -1.342 679 HG12 ILE 43 2HG1 ILE 43 12.632 0.884 -1.022 680 HG13 ILE 43 1HG1 ILE 43 11.594 1.548 0.236 681 HG21 ILE 43 1HG2 ILE 43 9.570 0.161 0.997 682 HG22 ILE 43 2HG2 ILE 43 10.568 -1.284 1.154 683 HG23 ILE 43 3HG2 ILE 43 9.154 -1.300 0.101 684 HD11 ILE 43 1HD1 ILE 43 12.224 -0.350 1.688 685 HD12 ILE 43 2HD1 ILE 43 13.588 0.668 1.226 686 HD13 ILE 43 3HD1 ILE 43 13.343 -0.891 0.437 687 H SER 44 H SER 44 10.851 -3.881 -1.017 688 HA SER 44 HA SER 44 8.270 -3.814 -2.415 689 HB2 SER 44 2HB SER 44 10.266 -4.877 -3.715 690 HB3 SER 44 1HB SER 44 10.066 -6.219 -2.591 691 HG SER 44 HG SER 44 8.650 -5.645 -4.783 692 H HIS 45 H HIS 45 6.732 -4.321 -1.017 693 HA HIS 45 HA HIS 45 7.241 -6.448 0.958 694 HB2 HIS 45 2HB HIS 45 5.891 -3.785 1.416 695 HB3 HIS 45 1HB HIS 45 5.690 -5.153 2.502 696 HD1 HIS 45 1HD HIS 45 8.271 -6.111 3.310 697 HD2 HIS 45 2HD HIS 45 7.762 -2.121 2.283 698 HE1 HIS 45 1HE HIS 45 10.164 -4.849 4.409 699 H MET 46 H MET 46 5.772 -8.013 0.969 700 HA MET 46 HA MET 46 3.471 -7.707 -0.786 701 HB2 MET 46 2HB MET 46 4.348 -10.088 0.876 702 HB3 MET 46 1HB MET 46 3.079 -10.094 -0.338 703 HG2 MET 46 2HG MET 46 5.864 -9.324 -1.082 704 HG3 MET 46 1HG MET 46 5.422 -11.021 -0.912 705 HE1 MET 46 1HE MET 46 3.575 -12.234 -2.435 706 HE2 MET 46 2HE MET 46 2.568 -11.363 -3.592 707 HE3 MET 46 3HE MET 46 2.416 -11.032 -1.866 708 H TYR 47 H TYR 47 1.340 -7.940 -0.050 709 HA TYR 47 HA TYR 47 0.744 -6.683 2.386 710 HB2 TYR 47 2HB TYR 47 -1.027 -8.436 0.668 711 HB3 TYR 47 1HB TYR 47 -1.600 -7.410 1.980 712 HD1 TYR 47 1HD TYR 47 0.043 -4.986 1.528 713 HD2 TYR 47 2HD TYR 47 -2.009 -7.482 -1.235 714 HE1 TYR 47 1HE TYR 47 -0.142 -3.094 -0.028 715 HE2 TYR 47 2HE TYR 47 -2.201 -5.597 -2.799 716 HH TYR 47 HH TYR 47 -1.396 -3.521 -3.282 717 H ALA 48 H ALA 48 1.319 -9.971 1.565 718 HA ALA 48 HA ALA 48 0.133 -11.163 3.866 719 HB1 ALA 48 1HB ALA 48 1.209 -13.206 3.105 720 HB2 ALA 48 2HB ALA 48 2.164 -12.284 1.943 721 HB3 ALA 48 3HB ALA 48 0.412 -12.379 1.766 722 H ASP 49 H ASP 49 2.984 -9.371 3.495 723 HA ASP 49 HA ASP 49 4.268 -10.779 5.739 724 HB2 ASP 49 2HB ASP 49 5.655 -8.533 4.353 725 HB3 ASP 49 1HB ASP 49 6.328 -9.994 5.057 726 H ILE 50 H ILE 50 2.331 -8.142 5.078 727 HA ILE 50 HA ILE 50 3.524 -6.458 7.153 728 HB ILE 50 HB ILE 50 1.172 -5.870 5.351 729 HG12 ILE 50 2HG1 ILE 50 4.018 -4.869 5.137 730 HG13 ILE 50 1HG1 ILE 50 3.391 -6.220 4.199 731 HG21 ILE 50 1HG2 ILE 50 2.812 -4.064 7.126 732 HG22 ILE 50 2HG2 ILE 50 1.157 -4.587 7.430 733 HG23 ILE 50 3HG2 ILE 50 1.513 -3.551 6.048 734 HD11 ILE 50 1HD1 ILE 50 1.751 -4.737 3.169 735 HD12 ILE 50 2HD1 ILE 50 3.402 -4.179 2.899 736 HD13 ILE 50 3HD1 ILE 50 2.390 -3.386 4.106 737 H LYS 51 H LYS 51 2.719 -6.313 9.148 738 HA LYS 51 HA LYS 51 0.529 -8.008 9.951 739 HB2 LYS 51 2HB LYS 51 2.484 -7.822 11.384 740 HB3 LYS 51 1HB LYS 51 2.278 -6.080 11.496 741 HG2 LYS 51 2HG LYS 51 -0.002 -6.624 12.545 742 HG3 LYS 51 1HG LYS 51 0.646 -8.252 12.752 743 HD2 LYS 51 2HD LYS 51 2.032 -5.765 13.742 744 HD3 LYS 51 1HD LYS 51 0.930 -6.725 14.730 745 HE2 LYS 51 2HE LYS 51 2.662 -7.997 15.297 746 HE3 LYS 51 1HE LYS 51 2.724 -8.560 13.628 747 HZ1 LYS 51 1HZ LYS 51 4.865 -7.732 14.295 748 HZ2 LYS 51 2HZ LYS 51 4.202 -6.245 14.759 749 HZ3 LYS 51 3HZ LYS 51 4.216 -6.691 13.126 750 H CYS 52 H CYS 52 1.228 -4.546 10.297 751 HA CYS 52 HA CYS 52 -1.518 -3.854 9.695 752 HB2 CYS 52 2HB CYS 52 -1.543 -2.362 11.800 753 HB3 CYS 52 1HB CYS 52 -1.863 -4.078 12.014 754 HG CYS 52 HG CYS 52 0.244 -2.273 13.604 755 H GLN 53 H GLN 53 -1.570 -1.187 10.039 756 HA GLN 53 HA GLN 53 1.031 -0.232 9.083 757 HB2 GLN 53 2HB GLN 53 -0.518 1.179 7.476 758 HB3 GLN 53 1HB GLN 53 -0.066 -0.459 7.042 759 HG2 GLN 53 2HG GLN 53 -2.148 -1.319 7.639 760 HG3 GLN 53 1HG GLN 53 -2.579 0.120 8.556 761 HE21 GLN 53 1HE2 GLN 53 -1.517 1.825 6.351 762 HE22 GLN 53 2HE2 GLN 53 -2.752 1.791 5.146 763 H LYS 54 H LYS 54 1.054 2.200 9.197 764 HA LYS 54 HA LYS 54 -0.921 3.413 10.999 765 HB2 LYS 54 2HB LYS 54 2.042 3.818 11.502 766 HB3 LYS 54 1HB LYS 54 0.689 4.325 12.488 767 HG2 LYS 54 2HG LYS 54 0.428 1.588 12.426 768 HG3 LYS 54 1HG LYS 54 2.174 1.849 12.523 769 HD2 LYS 54 2HD LYS 54 1.108 3.706 14.277 770 HD3 LYS 54 1HD LYS 54 0.124 2.264 14.527 771 HE2 LYS 54 2HE LYS 54 3.116 2.219 14.485 772 HE3 LYS 54 1HE LYS 54 2.180 2.484 15.954 773 HZ1 LYS 54 1HZ LYS 54 1.984 0.091 14.210 774 HZ2 LYS 54 2HZ LYS 54 1.119 0.344 15.641 775 HZ3 LYS 54 3HZ LYS 54 2.805 0.155 15.688 776 H ILE 55 H ILE 55 -0.583 5.801 10.982 777 HA ILE 55 HA ILE 55 0.888 6.724 8.578 778 HB ILE 55 HB ILE 55 -1.174 8.278 8.235 779 HG12 ILE 55 2HG1 ILE 55 -2.334 6.071 9.912 780 HG13 ILE 55 1HG1 ILE 55 -2.236 7.772 10.319 781 HG21 ILE 55 1HG2 ILE 55 -0.650 6.627 6.571 782 HG22 ILE 55 2HG2 ILE 55 -2.381 6.530 6.902 783 HG23 ILE 55 3HG2 ILE 55 -1.282 5.334 7.591 784 HD11 ILE 55 1HD1 ILE 55 -3.847 8.300 8.622 785 HD12 ILE 55 2HD1 ILE 55 -4.473 7.084 9.734 786 HD13 ILE 55 3HD1 ILE 55 -3.913 6.606 8.131 787 H SER 56 H SER 56 2.061 8.639 9.048 788 HA SER 56 HA SER 56 1.700 9.773 11.639 789 HB2 SER 56 2HB SER 56 3.043 11.758 10.531 790 HB3 SER 56 1HB SER 56 3.853 10.241 10.912 791 HG SER 56 HG SER 56 3.835 11.400 8.639 792 HA PRO 57 HA PRO 57 -2.274 11.372 10.703 793 HB2 PRO 57 2HB PRO 57 -2.356 12.950 12.984 794 HB3 PRO 57 1HB PRO 57 -2.800 11.243 12.889 795 HG2 PRO 57 2HG PRO 57 -0.226 12.484 13.768 796 HG3 PRO 57 1HG PRO 57 -1.110 11.112 14.467 797 HD2 PRO 57 2HD PRO 57 1.020 10.714 12.948 798 HD3 PRO 57 1HD PRO 57 -0.400 9.655 12.817 799 H GLU 58 H GLU 58 -3.351 13.487 10.565 800 HA GLU 58 HA GLU 58 -1.814 15.424 9.209 801 HB2 GLU 58 2HB GLU 58 -4.191 16.662 10.155 802 HB3 GLU 58 1HB GLU 58 -3.849 16.077 8.536 803 HG2 GLU 58 2HG GLU 58 -5.021 14.407 10.752 804 HG3 GLU 58 1HG GLU 58 -5.956 15.210 9.495 805 H GLY 59 H GLY 59 -1.108 17.456 9.904 806 HA2 GLY 59 2HA GLY 59 -1.011 19.141 11.687 807 HA3 GLY 59 1HA GLY 59 -1.061 17.808 12.837 808 H LYS 60 H LYS 60 0.730 16.107 11.317 809 HA LYS 60 HA LYS 60 3.241 17.072 12.253 810 HB2 LYS 60 2HB LYS 60 2.342 14.716 10.657 811 HB3 LYS 60 1HB LYS 60 4.029 15.177 10.529 812 HG2 LYS 60 2HG LYS 60 4.012 15.060 13.121 813 HG3 LYS 60 1HG LYS 60 2.534 14.115 12.893 814 HD2 LYS 60 2HD LYS 60 3.626 12.413 11.794 815 HD3 LYS 60 1HD LYS 60 4.951 13.449 11.276 816 HE2 LYS 60 2HE LYS 60 4.465 12.307 14.012 817 HE3 LYS 60 1HE LYS 60 5.772 11.912 12.904 818 HZ1 LYS 60 1HZ LYS 60 6.581 14.198 13.157 819 HZ2 LYS 60 2HZ LYS 60 6.571 13.335 14.626 820 HZ3 LYS 60 3HZ LYS 60 5.369 14.487 14.310 821 H ALA 61 H ALA 61 5.107 17.544 10.875 822 HA ALA 61 HA ALA 61 4.407 19.355 8.775 823 HB1 ALA 61 1HB ALA 61 7.133 18.367 9.616 824 HB2 ALA 61 2HB ALA 61 6.306 19.780 10.273 825 HB3 ALA 61 3HB ALA 61 6.801 19.757 8.581 826 H LYS 62 H LYS 62 4.897 16.034 8.917 827 HA LYS 62 HA LYS 62 5.016 15.891 6.006 828 HB2 LYS 62 2HB LYS 62 6.878 14.447 7.893 829 HB3 LYS 62 1HB LYS 62 6.623 13.938 6.229 830 HG2 LYS 62 2HG LYS 62 8.170 15.368 5.563 831 HG3 LYS 62 1HG LYS 62 7.203 16.706 6.187 832 HD2 LYS 62 2HD LYS 62 9.199 16.968 7.324 833 HD3 LYS 62 1HD LYS 62 8.232 16.044 8.474 834 HE2 LYS 62 2HE LYS 62 9.295 13.969 7.611 835 HE3 LYS 62 1HE LYS 62 10.339 14.971 6.602 836 HZ1 LYS 62 1HZ LYS 62 11.110 16.058 8.668 837 HZ2 LYS 62 2HZ LYS 62 11.506 14.421 8.592 838 HZ3 LYS 62 3HZ LYS 62 10.217 14.932 9.572 839 H ILE 63 H ILE 63 3.124 14.975 5.558 840 HA ILE 63 HA ILE 63 1.822 13.077 7.270 841 HB ILE 63 HB ILE 63 1.209 13.709 4.374 842 HG12 ILE 63 2HG1 ILE 63 -0.583 14.995 6.189 843 HG13 ILE 63 1HG1 ILE 63 1.065 15.408 6.654 844 HG21 ILE 63 1HG2 ILE 63 0.135 11.689 5.231 845 HG22 ILE 63 2HG2 ILE 63 -1.042 12.962 4.914 846 HG23 ILE 63 3HG2 ILE 63 -0.541 12.616 6.570 847 HD11 ILE 63 1HD1 ILE 63 1.507 16.224 4.413 848 HD12 ILE 63 2HD1 ILE 63 0.099 17.029 5.104 849 HD13 ILE 63 3HD1 ILE 63 -0.115 15.753 3.907 850 H GLN 64 H GLN 64 2.349 10.922 7.383 851 HA GLN 64 HA GLN 64 3.485 9.727 4.930 852 HB2 GLN 64 2HB GLN 64 4.818 9.449 7.625 853 HB3 GLN 64 1HB GLN 64 5.387 8.791 6.099 854 HG2 GLN 64 2HG GLN 64 6.114 10.841 5.334 855 HG3 GLN 64 1HG GLN 64 5.030 11.739 6.395 856 HE21 GLN 64 1HE2 GLN 64 5.712 10.184 8.732 857 HE22 GLN 64 2HE2 GLN 64 7.300 10.669 9.217 858 H LEU 65 H LEU 65 3.876 7.364 5.161 859 HA LEU 65 HA LEU 65 1.796 6.100 6.828 860 HB2 LEU 65 2HB LEU 65 1.395 5.994 4.355 861 HB3 LEU 65 1HB LEU 65 2.895 5.102 4.195 862 HG LEU 65 HG LEU 65 1.690 3.546 6.011 863 HD11 LEU 65 1HD1 LEU 65 -0.322 4.858 6.155 864 HD12 LEU 65 2HD1 LEU 65 -0.671 3.287 5.435 865 HD13 LEU 65 3HD1 LEU 65 -0.568 4.722 4.414 866 HD21 LEU 65 1HD2 LEU 65 1.029 2.081 4.206 867 HD22 LEU 65 2HD2 LEU 65 2.604 2.808 3.887 868 HD23 LEU 65 3HD2 LEU 65 1.168 3.410 3.057 869 H GLN 66 H GLN 66 2.356 4.208 7.902 870 HA GLN 66 HA GLN 66 5.188 3.407 7.799 871 HB2 GLN 66 2HB GLN 66 4.599 4.742 9.823 872 HB3 GLN 66 1HB GLN 66 3.422 3.513 10.249 873 HG2 GLN 66 2HG GLN 66 5.117 1.889 10.601 874 HG3 GLN 66 1HG GLN 66 6.353 2.946 9.921 875 HE21 GLN 66 1HE2 GLN 66 7.168 4.614 11.136 876 HE22 GLN 66 2HE2 GLN 66 6.890 4.759 12.839 877 H LEU 67 H LEU 67 5.366 1.353 7.157 878 HA LEU 67 HA LEU 67 3.068 -0.435 7.461 879 HB2 LEU 67 2HB LEU 67 5.613 -0.618 5.863 880 HB3 LEU 67 1HB LEU 67 4.513 -1.970 6.036 881 HG LEU 67 HG LEU 67 3.927 0.674 4.713 882 HD11 LEU 67 1HD1 LEU 67 4.108 -2.139 3.643 883 HD12 LEU 67 2HD1 LEU 67 5.303 -0.863 3.409 884 HD13 LEU 67 3HD1 LEU 67 3.692 -0.701 2.711 885 HD21 LEU 67 1HD2 LEU 67 2.115 -1.698 5.165 886 HD22 LEU 67 2HD2 LEU 67 1.736 -0.287 4.177 887 HD23 LEU 67 3HD2 LEU 67 1.957 -0.111 5.917 888 H VAL 68 H VAL 68 3.004 -1.578 9.310 889 HA VAL 68 HA VAL 68 5.535 -2.363 10.552 890 HB VAL 68 HB VAL 68 2.713 -2.562 11.629 891 HG11 VAL 68 1HG1 VAL 68 5.366 -3.244 12.897 892 HG12 VAL 68 2HG1 VAL 68 4.052 -4.362 12.525 893 HG13 VAL 68 3HG1 VAL 68 3.836 -3.129 13.769 894 HG21 VAL 68 1HG2 VAL 68 5.013 -0.759 12.357 895 HG22 VAL 68 2HG2 VAL 68 3.458 -0.825 13.187 896 HG23 VAL 68 3HG2 VAL 68 3.542 -0.280 11.511 897 H LEU 69 H LEU 69 6.342 -4.169 9.809 898 HA LEU 69 HA LEU 69 4.757 -6.132 8.500 899 HB2 LEU 69 2HB LEU 69 7.627 -6.290 9.377 900 HB3 LEU 69 1HB LEU 69 6.824 -7.389 8.268 901 HG LEU 69 HG LEU 69 7.862 -4.661 7.813 902 HD11 LEU 69 1HD1 LEU 69 7.601 -7.152 6.161 903 HD12 LEU 69 2HD1 LEU 69 9.054 -6.548 6.960 904 HD13 LEU 69 3HD1 LEU 69 8.354 -5.656 5.608 905 HD21 LEU 69 1HD2 LEU 69 5.511 -4.270 7.409 906 HD22 LEU 69 2HD2 LEU 69 5.453 -5.669 6.335 907 HD23 LEU 69 3HD2 LEU 69 6.423 -4.262 5.900 908 H HIS 70 H HIS 70 5.296 -8.552 9.142 909 HA HIS 70 HA HIS 70 3.797 -9.054 11.449 910 HB2 HIS 70 2HB HIS 70 5.497 -10.829 9.726 911 HB3 HIS 70 1HB HIS 70 4.619 -11.451 11.122 912 HD1 HIS 70 1HD HIS 70 2.025 -9.629 10.609 913 HD2 HIS 70 2HD HIS 70 3.932 -12.067 7.851 914 HE1 HIS 70 1HE HIS 70 0.321 -10.139 8.821 915 H ALA 71 H ALA 71 7.339 -9.318 11.018 916 HA ALA 71 HA ALA 71 7.756 -10.352 13.643 917 HB1 ALA 71 1HB ALA 71 9.341 -10.704 11.798 918 HB2 ALA 71 2HB ALA 71 10.113 -10.003 13.220 919 HB3 ALA 71 3HB ALA 71 9.737 -8.986 11.827 920 H GLY 72 H GLY 72 7.339 -7.190 12.374 921 HA2 GLY 72 2HA GLY 72 6.683 -5.492 14.077 922 HA3 GLY 72 1HA GLY 72 8.091 -6.030 14.993 923 H ASP 73 H ASP 73 8.131 -5.880 11.595 924 HA ASP 73 HA ASP 73 10.339 -4.029 11.559 925 HB2 ASP 73 2HB ASP 73 8.970 -5.084 9.106 926 HB3 ASP 73 1HB ASP 73 10.676 -4.777 9.363 927 H THR 74 H THR 74 10.242 -2.110 10.079 928 HA THR 74 HA THR 74 7.536 -1.185 9.540 929 HB THR 74 HB THR 74 8.341 1.095 10.598 930 HG1 THR 74 1HG THR 74 9.764 -0.860 12.111 931 HG21 THR 74 1HG2 THR 74 7.335 -1.227 12.234 932 HG22 THR 74 2HG2 THR 74 6.353 -0.087 11.313 933 HG23 THR 74 3HG2 THR 74 7.261 0.466 12.720 934 H THR 75 H THR 75 7.367 0.095 7.823 935 HA THR 75 HA THR 75 9.823 1.172 6.612 936 HB THR 75 HB THR 75 7.502 0.410 4.897 937 HG1 THR 75 1HG THR 75 8.907 -1.704 4.788 938 HG21 THR 75 1HG2 THR 75 10.498 0.286 4.515 939 HG22 THR 75 2HG2 THR 75 9.440 1.575 3.940 940 HG23 THR 75 3HG2 THR 75 9.286 -0.053 3.280 941 H ASN 76 H ASN 76 9.727 3.322 6.803 942 HA ASN 76 HA ASN 76 7.182 4.705 6.945 943 HB2 ASN 76 2HB ASN 76 10.010 5.394 7.529 944 HB3 ASN 76 1HB ASN 76 8.949 6.714 7.055 945 HD21 ASN 76 1HD2 ASN 76 9.253 7.588 9.128 946 HD22 ASN 76 2HD2 ASN 76 8.380 6.974 10.482 947 H PHE 77 H PHE 77 6.230 5.746 5.345 948 HA PHE 77 HA PHE 77 7.825 6.395 2.954 949 HB2 PHE 77 2HB PHE 77 4.984 5.381 3.131 950 HB3 PHE 77 1HB PHE 77 5.663 6.095 1.670 951 HD1 PHE 77 1HD PHE 77 4.892 3.091 3.087 952 HD2 PHE 77 2HD PHE 77 8.162 5.060 1.207 953 HE1 PHE 77 1HE PHE 77 5.845 0.909 2.464 954 HE2 PHE 77 2HE PHE 77 9.118 2.886 0.579 955 HZ PHE 77 HZ PHE 77 7.962 0.807 1.207 956 H HIS 78 H HIS 78 8.166 8.484 3.032 957 HA HIS 78 HA HIS 78 6.220 10.319 4.168 958 HB2 HIS 78 2HB HIS 78 8.485 10.720 4.799 959 HB3 HIS 78 1HB HIS 78 9.051 10.585 3.143 960 HD1 HIS 78 1HD HIS 78 10.247 12.940 3.685 961 HD2 HIS 78 2HD HIS 78 6.088 12.998 3.522 962 HE1 HIS 78 1HE HIS 78 9.574 15.356 3.360 963 H PHE 79 H PHE 79 4.723 11.296 2.975 964 HA PHE 79 HA PHE 79 4.856 11.133 0.088 965 HB2 PHE 79 2HB PHE 79 2.759 12.221 1.977 966 HB3 PHE 79 1HB PHE 79 2.592 12.228 0.224 967 HD1 PHE 79 1HD PHE 79 1.961 10.275 -0.954 968 HD2 PHE 79 2HD PHE 79 2.887 10.054 3.191 969 HE1 PHE 79 1HE PHE 79 1.062 7.987 -0.878 970 HE2 PHE 79 2HE PHE 79 1.991 7.765 3.275 971 HZ PHE 79 HZ PHE 79 1.075 6.731 1.238 972 H SER 80 H SER 80 6.503 12.485 -0.528 973 HA SER 80 HA SER 80 6.650 15.193 0.443 974 HB2 SER 80 2HB SER 80 8.473 15.162 -1.520 975 HB3 SER 80 1HB SER 80 8.790 14.487 0.077 976 HG SER 80 HG SER 80 9.154 13.193 -2.034 977 H ASN 81 H ASN 81 4.324 14.195 -1.243 978 HA ASN 81 HA ASN 81 4.571 16.053 -3.491 979 HB2 ASN 81 2HB ASN 81 3.629 13.597 -3.647 980 HB3 ASN 81 1HB ASN 81 2.144 14.351 -3.067 981 HD21 ASN 81 1HD2 ASN 81 1.096 13.912 -5.016 982 HD22 ASN 81 2HD2 ASN 81 1.441 14.824 -6.452 983 H GLU 82 H GLU 82 4.393 17.969 -2.457 984 HA GLU 82 HA GLU 82 2.716 18.736 -0.419 985 HB2 GLU 82 2HB GLU 82 3.134 21.016 -1.098 986 HB3 GLU 82 1HB GLU 82 4.600 20.070 -1.291 987 HG2 GLU 82 2HG GLU 82 2.725 20.938 -3.485 988 HG3 GLU 82 1HG GLU 82 4.324 21.593 -3.146 989 H SER 83 H SER 83 1.926 18.343 -3.788 990 HA SER 83 HA SER 83 -0.376 19.912 -3.930 991 HB2 SER 83 2HB SER 83 0.157 17.333 -5.415 992 HB3 SER 83 1HB SER 83 -0.920 18.637 -5.914 993 HG SER 83 HG SER 83 1.871 19.007 -5.496 994 H THR 84 H THR 84 -0.291 16.334 -3.499 995 HA THR 84 HA THR 84 -2.765 16.610 -1.933 996 HB THR 84 HB THR 84 -3.261 14.254 -3.100 997 HG1 THR 84 1HG THR 84 -1.392 14.372 -4.444 998 HG21 THR 84 1HG2 THR 84 -4.780 16.174 -3.034 999 HG22 THR 84 2HG2 THR 84 -4.749 15.444 -4.640 1000 HG23 THR 84 3HG2 THR 84 -3.870 16.942 -4.335 1001 H ALA 85 H ALA 85 -0.182 16.298 -0.852 1002 HA ALA 85 HA ALA 85 0.751 13.770 -0.327 1003 HB1 ALA 85 1HB ALA 85 1.873 15.841 0.373 1004 HB2 ALA 85 2HB ALA 85 1.768 14.660 1.678 1005 HB3 ALA 85 3HB ALA 85 0.674 16.042 1.651 1006 H VAL 86 H VAL 86 -1.866 15.454 1.352 1007 HA VAL 86 HA VAL 86 -2.185 13.438 3.344 1008 HB VAL 86 HB VAL 86 -3.989 15.694 2.470 1009 HG11 VAL 86 1HG1 VAL 86 -5.291 13.901 3.523 1010 HG12 VAL 86 2HG1 VAL 86 -5.227 15.339 4.542 1011 HG13 VAL 86 3HG1 VAL 86 -4.214 13.946 4.919 1012 HG21 VAL 86 1HG2 VAL 86 -2.131 15.425 4.813 1013 HG22 VAL 86 2HG2 VAL 86 -3.264 16.753 4.566 1014 HG23 VAL 86 3HG2 VAL 86 -1.942 16.498 3.427 1015 H LYS 87 H LYS 87 -3.663 14.165 0.237 1016 HA LYS 87 HA LYS 87 -5.750 12.230 0.582 1017 HB2 LYS 87 2HB LYS 87 -4.942 13.980 -1.723 1018 HB3 LYS 87 1HB LYS 87 -6.251 12.804 -1.838 1019 HG2 LYS 87 2HG LYS 87 -6.089 15.295 -0.193 1020 HG3 LYS 87 1HG LYS 87 -7.383 14.733 -1.258 1021 HD2 LYS 87 2HD LYS 87 -8.346 13.510 0.366 1022 HD3 LYS 87 1HD LYS 87 -6.797 12.928 0.970 1023 HE2 LYS 87 2HE LYS 87 -6.502 15.228 1.995 1024 HE3 LYS 87 1HE LYS 87 -8.205 15.501 1.628 1025 HZ1 LYS 87 1HZ LYS 87 -8.870 13.890 3.128 1026 HZ2 LYS 87 2HZ LYS 87 -7.551 14.576 3.931 1027 HZ3 LYS 87 3HZ LYS 87 -7.375 13.090 3.129 1028 H GLU 88 H GLU 88 -2.688 12.306 -1.228 1029 HA GLU 88 HA GLU 88 -3.163 9.785 -2.466 1030 HB2 GLU 88 2HB GLU 88 -0.556 11.229 -1.905 1031 HB3 GLU 88 1HB GLU 88 -0.697 9.775 -2.879 1032 HG2 GLU 88 2HG GLU 88 -1.848 10.873 -4.575 1033 HG3 GLU 88 1HG GLU 88 -2.275 12.229 -3.535 1034 H ARG 89 H ARG 89 -1.869 10.856 0.589 1035 HA ARG 89 HA ARG 89 -0.880 8.355 1.479 1036 HB2 ARG 89 2HB ARG 89 -0.233 10.410 2.617 1037 HB3 ARG 89 1HB ARG 89 -1.907 10.751 3.026 1038 HG2 ARG 89 2HG ARG 89 -0.837 8.176 3.988 1039 HG3 ARG 89 1HG ARG 89 -0.160 9.631 4.721 1040 HD2 ARG 89 2HD ARG 89 -2.977 9.953 4.560 1041 HD3 ARG 89 1HD ARG 89 -2.651 8.364 5.249 1042 HE ARG 89 HE ARG 89 -1.066 9.763 6.761 1043 HH11 ARG 89 1HH1 ARG 89 -4.248 10.743 5.625 1044 HH12 ARG 89 2HH1 ARG 89 -4.553 11.761 7.004 1045 HH21 ARG 89 1HH2 ARG 89 -1.498 11.096 8.569 1046 HH22 ARG 89 2HH2 ARG 89 -3.035 11.916 8.680 1047 H ASP 90 H ASP 90 -3.980 9.994 1.656 1048 HA ASP 90 HA ASP 90 -5.346 8.132 3.259 1049 HB2 ASP 90 2HB ASP 90 -6.204 10.223 1.289 1050 HB3 ASP 90 1HB ASP 90 -7.393 9.074 1.890 1051 H ALA 91 H ALA 91 -4.956 8.419 -0.246 1052 HA ALA 91 HA ALA 91 -6.591 6.326 -1.049 1053 HB1 ALA 91 1HB ALA 91 -5.317 6.315 -3.110 1054 HB2 ALA 91 2HB ALA 91 -4.010 7.209 -2.334 1055 HB3 ALA 91 3HB ALA 91 -5.582 7.975 -2.575 1056 H VAL 92 H VAL 92 -3.118 6.304 -0.290 1057 HA VAL 92 HA VAL 92 -2.758 3.522 -0.674 1058 HB VAL 92 HB VAL 92 -1.147 5.434 1.033 1059 HG11 VAL 92 1HG1 VAL 92 -0.508 2.659 0.041 1060 HG12 VAL 92 2HG1 VAL 92 -0.677 3.182 1.718 1061 HG13 VAL 92 3HG1 VAL 92 0.675 3.762 0.745 1062 HG21 VAL 92 1HG2 VAL 92 -0.755 4.510 -1.808 1063 HG22 VAL 92 2HG2 VAL 92 0.391 5.483 -0.887 1064 HG23 VAL 92 3HG2 VAL 92 -1.202 6.133 -1.281 1065 H LYS 93 H LYS 93 -3.578 5.489 2.114 1066 HA LYS 93 HA LYS 93 -3.280 3.511 4.094 1067 HB2 LYS 93 2HB LYS 93 -3.359 5.882 4.624 1068 HB3 LYS 93 1HB LYS 93 -5.004 5.990 4.019 1069 HG2 LYS 93 2HG LYS 93 -4.833 3.968 6.042 1070 HG3 LYS 93 1HG LYS 93 -4.168 5.491 6.636 1071 HD2 LYS 93 2HD LYS 93 -6.867 5.178 5.323 1072 HD3 LYS 93 1HD LYS 93 -6.593 5.264 7.067 1073 HE2 LYS 93 2HE LYS 93 -6.242 7.479 7.034 1074 HE3 LYS 93 1HE LYS 93 -5.373 7.423 5.500 1075 HZ1 LYS 93 1HZ LYS 93 -7.247 8.504 4.847 1076 HZ2 LYS 93 2HZ LYS 93 -8.235 7.756 6.000 1077 HZ3 LYS 93 3HZ LYS 93 -7.792 6.907 4.603 1078 H ASP 94 H ASP 94 -6.206 4.742 2.493 1079 HA ASP 94 HA ASP 94 -7.970 2.906 3.707 1080 HB2 ASP 94 2HB ASP 94 -8.110 4.864 1.486 1081 HB3 ASP 94 1HB ASP 94 -9.337 3.606 1.512 1082 H LEU 95 H LEU 95 -6.163 2.788 0.702 1083 HA LEU 95 HA LEU 95 -7.501 0.423 -0.239 1084 HB2 LEU 95 2HB LEU 95 -6.281 2.187 -1.656 1085 HB3 LEU 95 1HB LEU 95 -4.799 1.386 -1.167 1086 HG LEU 95 HG LEU 95 -5.571 -0.699 -2.206 1087 HD11 LEU 95 1HD1 LEU 95 -7.993 -0.296 -1.884 1088 HD12 LEU 95 2HD1 LEU 95 -7.580 -0.783 -3.529 1089 HD13 LEU 95 3HD1 LEU 95 -7.931 0.907 -3.172 1090 HD21 LEU 95 1HD2 LEU 95 -5.425 0.029 -4.539 1091 HD22 LEU 95 2HD2 LEU 95 -4.243 0.855 -3.525 1092 HD23 LEU 95 3HD2 LEU 95 -5.707 1.695 -4.035 1093 H LEU 96 H LEU 96 -4.816 1.104 1.851 1094 HA LEU 96 HA LEU 96 -3.678 -1.499 1.651 1095 HB2 LEU 96 2HB LEU 96 -3.291 0.837 3.423 1096 HB3 LEU 96 1HB LEU 96 -2.801 -0.730 4.044 1097 HG LEU 96 HG LEU 96 -1.829 0.569 1.500 1098 HD11 LEU 96 1HD1 LEU 96 0.321 0.657 2.641 1099 HD12 LEU 96 2HD1 LEU 96 -0.415 -0.034 4.088 1100 HD13 LEU 96 3HD1 LEU 96 -0.907 1.563 3.524 1101 HD21 LEU 96 1HD2 LEU 96 -1.985 -1.841 1.231 1102 HD22 LEU 96 2HD2 LEU 96 -1.076 -2.079 2.724 1103 HD23 LEU 96 3HD2 LEU 96 -0.299 -1.329 1.330 1104 H GLN 97 H GLN 97 -5.635 0.039 4.304 1105 HA GLN 97 HA GLN 97 -6.221 -2.247 5.699 1106 HB2 GLN 97 2HB GLN 97 -8.601 -1.037 5.913 1107 HB3 GLN 97 1HB GLN 97 -7.162 -0.442 6.740 1108 HG2 GLN 97 2HG GLN 97 -6.923 0.865 4.446 1109 HG3 GLN 97 1HG GLN 97 -8.669 0.639 4.457 1110 HE21 GLN 97 1HE2 GLN 97 -7.086 0.834 7.475 1111 HE22 GLN 97 2HE2 GLN 97 -7.563 2.452 7.860 1112 H GLN 98 H GLN 98 -7.275 -1.369 2.552 1113 HA GLN 98 HA GLN 98 -9.407 -3.276 2.372 1114 HB2 GLN 98 2HB GLN 98 -8.070 -1.332 0.573 1115 HB3 GLN 98 1HB GLN 98 -8.899 -2.674 -0.195 1116 HG2 GLN 98 2HG GLN 98 -9.981 -0.279 0.847 1117 HG3 GLN 98 1HG GLN 98 -10.816 -1.608 0.039 1118 HE21 GLN 98 1HE2 GLN 98 -11.653 -3.307 1.290 1119 HE22 GLN 98 2HE2 GLN 98 -12.034 -3.062 2.968 1120 H LEU 99 H LEU 99 -6.142 -3.095 0.923 1121 HA LEU 99 HA LEU 99 -6.424 -5.783 -0.116 1122 HB2 LEU 99 2HB LEU 99 -4.203 -3.774 -0.325 1123 HB3 LEU 99 1HB LEU 99 -4.197 -5.342 -1.112 1124 HG LEU 99 HG LEU 99 -6.410 -3.376 -1.583 1125 HD11 LEU 99 1HD1 LEU 99 -5.181 -2.698 -3.634 1126 HD12 LEU 99 2HD1 LEU 99 -3.769 -3.562 -3.024 1127 HD13 LEU 99 3HD1 LEU 99 -4.403 -2.175 -2.140 1128 HD21 LEU 99 1HD2 LEU 99 -5.300 -5.667 -3.187 1129 HD22 LEU 99 2HD2 LEU 99 -6.634 -4.621 -3.675 1130 HD23 LEU 99 3HD2 LEU 99 -6.803 -5.667 -2.265 1131 H LEU 100 H LEU 100 -4.620 -4.222 2.472 1132 HA LEU 100 HA LEU 100 -2.596 -6.032 2.899 1133 HB2 LEU 100 2HB LEU 100 -4.061 -4.150 4.658 1134 HB3 LEU 100 1HB LEU 100 -3.063 -5.362 5.439 1135 HG LEU 100 HG LEU 100 -2.101 -3.380 3.378 1136 HD11 LEU 100 1HD1 LEU 100 -1.717 -3.461 6.374 1137 HD12 LEU 100 2HD1 LEU 100 -2.588 -2.235 5.452 1138 HD13 LEU 100 3HD1 LEU 100 -0.841 -2.396 5.275 1139 HD21 LEU 100 1HD2 LEU 100 -0.602 -5.404 5.027 1140 HD22 LEU 100 2HD2 LEU 100 0.119 -4.206 3.952 1141 HD23 LEU 100 3HD2 LEU 100 -0.898 -5.486 3.291 1142 HA PRO 101 HA PRO 101 -5.156 -8.826 5.770 1143 HB2 PRO 101 2HB PRO 101 -7.792 -8.444 6.134 1144 HB3 PRO 101 1HB PRO 101 -6.581 -7.556 7.068 1145 HG2 PRO 101 2HG PRO 101 -8.144 -6.673 4.670 1146 HG3 PRO 101 1HG PRO 101 -7.793 -5.785 6.163 1147 HD2 PRO 101 2HD PRO 101 -6.400 -5.427 3.849 1148 HD3 PRO 101 1HD PRO 101 -5.693 -5.181 5.458 1149 H LYS 102 H LYS 102 -6.288 -7.822 2.721 1150 HA LYS 102 HA LYS 102 -8.011 -10.066 2.221 1151 HB2 LYS 102 2HB LYS 102 -7.843 -7.632 1.093 1152 HB3 LYS 102 1HB LYS 102 -6.860 -8.539 -0.049 1153 HG2 LYS 102 2HG LYS 102 -8.748 -10.132 -0.319 1154 HG3 LYS 102 1HG LYS 102 -9.723 -9.079 0.706 1155 HD2 LYS 102 2HD LYS 102 -8.448 -8.307 -1.919 1156 HD3 LYS 102 1HD LYS 102 -10.154 -8.677 -1.671 1157 HE2 LYS 102 2HE LYS 102 -8.635 -6.408 -0.381 1158 HE3 LYS 102 1HE LYS 102 -9.734 -6.260 -1.752 1159 HZ1 LYS 102 1HZ LYS 102 -11.458 -7.259 -0.205 1160 HZ2 LYS 102 2HZ LYS 102 -10.993 -5.663 0.103 1161 HZ3 LYS 102 3HZ LYS 102 -10.382 -6.928 1.065 1162 H PHE 103 H PHE 103 -4.640 -9.318 1.812 1163 HA PHE 103 HA PHE 103 -4.267 -11.872 0.395 1164 HB2 PHE 103 2HB PHE 103 -2.577 -9.368 0.380 1165 HB3 PHE 103 1HB PHE 103 -2.082 -10.888 -0.356 1166 HD1 PHE 103 1HD PHE 103 -2.999 -11.609 -2.437 1167 HD2 PHE 103 2HD PHE 103 -4.462 -8.103 -0.526 1168 HE1 PHE 103 1HE PHE 103 -4.195 -10.989 -4.497 1169 HE2 PHE 103 2HE PHE 103 -5.661 -7.476 -2.578 1170 HZ PHE 103 HZ PHE 103 -5.525 -8.917 -4.565 1171 H LYS 104 H LYS 104 -4.318 -11.093 3.405 1172 HA LYS 104 HA LYS 104 -1.753 -12.390 4.038 1173 HB2 LYS 104 2HB LYS 104 -1.514 -11.129 5.987 1174 HB3 LYS 104 1HB LYS 104 -2.123 -9.962 4.823 1175 HG2 LYS 104 2HG LYS 104 -4.318 -10.074 5.763 1176 HG3 LYS 104 1HG LYS 104 -3.848 -11.404 6.823 1177 HD2 LYS 104 2HD LYS 104 -3.934 -9.194 7.965 1178 HD3 LYS 104 1HD LYS 104 -2.352 -9.973 8.046 1179 HE2 LYS 104 2HE LYS 104 -1.412 -8.503 6.509 1180 HE3 LYS 104 1HE LYS 104 -2.982 -8.018 5.869 1181 HZ1 LYS 104 1HZ LYS 104 -2.178 -6.244 7.175 1182 HZ2 LYS 104 2HZ LYS 104 -1.782 -7.255 8.469 1183 HZ3 LYS 104 3HZ LYS 104 -3.409 -6.973 8.079 1184 H ARG 105 H ARG 105 -1.789 -13.641 6.090 1185 HA ARG 105 HA ARG 105 -3.948 -15.509 6.027 1186 HB2 ARG 105 2HB ARG 105 -1.466 -15.960 6.552 1187 HB3 ARG 105 1HB ARG 105 -1.825 -15.359 8.163 1188 HG2 ARG 105 2HG ARG 105 -3.581 -17.493 7.093 1189 HG3 ARG 105 1HG ARG 105 -1.931 -17.938 7.531 1190 HD2 ARG 105 2HD ARG 105 -2.288 -16.962 9.766 1191 HD3 ARG 105 1HD ARG 105 -3.953 -16.590 9.320 1192 HE ARG 105 HE ARG 105 -2.863 -19.180 10.017 1193 HH11 ARG 105 1HH1 ARG 105 -5.495 -17.471 8.486 1194 HH12 ARG 105 2HH1 ARG 105 -6.671 -18.721 8.788 1195 HH21 ARG 105 1HH2 ARG 105 -4.425 -20.829 10.444 1196 HH22 ARG 105 2HH2 ARG 105 -6.075 -20.593 9.942 1197 H LYS 106 H LYS 106 -5.854 -14.770 6.733 1198 HA LYS 106 HA LYS 106 -6.239 -12.917 8.831 1199 HB2 LYS 106 2HB LYS 106 -8.119 -14.904 7.547 1200 HB3 LYS 106 1HB LYS 106 -8.631 -13.699 8.718 1201 HG2 LYS 106 2HG LYS 106 -8.018 -11.914 7.230 1202 HG3 LYS 106 1HG LYS 106 -7.318 -13.060 6.084 1203 HD2 LYS 106 2HD LYS 106 -9.392 -13.879 5.437 1204 HD3 LYS 106 1HD LYS 106 -10.184 -13.311 6.908 1205 HE2 LYS 106 2HE LYS 106 -10.942 -11.857 5.244 1206 HE3 LYS 106 1HE LYS 106 -9.671 -10.956 6.064 1207 HZ1 LYS 106 1HZ LYS 106 -9.633 -10.853 3.585 1208 HZ2 LYS 106 2HZ LYS 106 -9.208 -12.496 3.574 1209 HZ3 LYS 106 3HZ LYS 106 -8.176 -11.363 4.297 1210 H ALA 107 H ALA 107 -7.735 -13.528 10.755 1211 HA ALA 107 HA ALA 107 -6.349 -15.559 12.273 1212 HB1 ALA 107 1HB ALA 107 -7.589 -14.722 14.177 1213 HB2 ALA 107 2HB ALA 107 -8.617 -13.759 13.117 1214 HB3 ALA 107 3HB ALA 107 -6.903 -13.374 13.269 1215 H ASN 108 H ASN 108 -7.274 -17.137 10.603 1216 HA ASN 108 HA ASN 108 -9.234 -18.747 11.876 1217 HB2 ASN 108 2HB ASN 108 -10.760 -17.095 10.822 1218 HB3 ASN 108 1HB ASN 108 -10.052 -17.461 9.252 1219 HD21 ASN 108 1HD2 ASN 108 -10.339 -19.594 8.405 1220 HD22 ASN 108 2HD2 ASN 108 -11.727 -20.521 8.853 Start of MODEL 7 1 H ARG 390 2HT ARG 390 29.573 26.897 11.347 2 HA ARG 390 HA ARG 390 30.879 24.954 11.017 3 HB2 ARG 390 2HB ARG 390 31.993 24.964 13.225 4 HB3 ARG 390 1HB ARG 390 30.480 24.502 13.991 5 HG2 ARG 390 2HG ARG 390 30.508 22.379 12.782 6 HG3 ARG 390 1HG ARG 390 32.022 22.842 12.003 7 HD2 ARG 390 2HD ARG 390 32.714 21.480 13.759 8 HD3 ARG 390 1HD ARG 390 32.930 23.107 14.397 9 HE ARG 390 HE ARG 390 30.666 21.318 15.080 10 HH11 ARG 390 1HH1 ARG 390 32.958 23.842 15.922 11 HH12 ARG 390 2HH1 ARG 390 32.388 23.999 17.547 12 HH21 ARG 390 1HH2 ARG 390 29.914 21.515 17.233 13 HH22 ARG 390 2HH2 ARG 390 30.652 22.679 18.293 14 H ARG 391 H ARG 391 29.794 23.130 10.304 15 HA ARG 391 HA ARG 391 26.925 23.164 10.625 16 HB2 ARG 391 2HB ARG 391 28.882 21.761 8.886 17 HB3 ARG 391 1HB ARG 391 27.376 20.913 9.208 18 HG2 ARG 391 2HG ARG 391 26.190 23.023 8.456 19 HG3 ARG 391 1HG ARG 391 27.762 23.568 7.863 20 HD2 ARG 391 2HD ARG 391 26.435 22.502 6.095 21 HD3 ARG 391 1HD ARG 391 27.923 21.616 6.427 22 HE ARG 391 HE ARG 391 25.669 20.628 7.919 23 HH11 ARG 391 1HH1 ARG 391 27.309 20.481 4.819 24 HH12 ARG 391 2HH1 ARG 391 26.711 18.904 4.431 25 HH21 ARG 391 1HH2 ARG 391 24.880 18.554 7.424 26 HH22 ARG 391 2HH2 ARG 391 25.321 17.804 5.914 27 H ARG 392 H ARG 392 26.203 20.508 10.630 28 HA ARG 392 HA ARG 392 26.748 19.836 13.382 29 HB2 ARG 392 2HB ARG 392 25.023 18.539 11.276 30 HB3 ARG 392 1HB ARG 392 25.214 17.879 12.893 31 HG2 ARG 392 2HG ARG 392 23.949 20.478 12.088 32 HG3 ARG 392 1HG ARG 392 23.209 19.107 12.913 33 HD2 ARG 392 2HD ARG 392 25.187 21.092 13.998 34 HD3 ARG 392 1HD ARG 392 23.549 20.768 14.559 35 HE ARG 392 HE ARG 392 24.515 18.482 15.171 36 HH11 ARG 392 1HH1 ARG 392 26.378 21.447 15.201 37 HH12 ARG 392 2HH1 ARG 392 27.478 20.889 16.427 38 HH21 ARG 392 1HH2 ARG 392 25.972 17.768 16.808 39 HH22 ARG 392 2HH2 ARG 392 27.230 18.841 17.343 40 H THR 393 H THR 393 29.071 19.544 12.998 41 HA THR 393 HA THR 393 29.986 17.262 11.522 42 HB THR 393 HB THR 393 31.540 18.646 13.705 43 HG1 THR 393 1HG THR 393 30.571 19.689 11.339 44 HG21 THR 393 1HG2 THR 393 32.371 17.461 11.050 45 HG22 THR 393 2HG2 THR 393 32.538 16.669 12.617 46 HG23 THR 393 3HG2 THR 393 33.447 18.140 12.271 47 H GLU 394 H GLU 394 29.294 18.066 14.854 48 HA GLU 394 HA GLU 394 29.977 15.448 15.857 49 HB2 GLU 394 2HB GLU 394 28.303 17.357 17.434 50 HB3 GLU 394 1HB GLU 394 29.613 16.317 17.971 51 HG2 GLU 394 2HG GLU 394 30.567 18.387 18.178 52 HG3 GLU 394 1HG GLU 394 31.102 17.926 16.563 53 H ALA 395 H ALA 395 28.628 14.288 14.392 54 HA ALA 395 HA ALA 395 26.860 12.912 14.016 55 HB1 ALA 395 1HB ALA 395 25.250 14.327 16.127 56 HB2 ALA 395 2HB ALA 395 26.433 13.078 16.515 57 HB3 ALA 395 3HB ALA 395 25.044 12.690 15.500 58 H LEU 396 H LEU 396 26.131 13.345 12.083 59 HA LEU 396 HA LEU 396 25.344 15.839 11.122 60 HB2 LEU 396 2HB LEU 396 24.861 13.052 10.103 61 HB3 LEU 396 1HB LEU 396 24.312 14.471 9.233 62 HG LEU 396 HG LEU 396 27.197 13.937 9.947 63 HD11 LEU 396 1HD1 LEU 396 26.400 12.248 8.396 64 HD12 LEU 396 2HD1 LEU 396 27.475 13.378 7.573 65 HD13 LEU 396 3HD1 LEU 396 25.729 13.498 7.349 66 HD21 LEU 396 1HD2 LEU 396 26.644 16.301 9.654 67 HD22 LEU 396 2HD2 LEU 396 25.926 15.943 8.083 68 HD23 LEU 396 3HD2 LEU 396 27.657 15.712 8.335 69 H GLY 397 H GLY 397 23.704 16.960 11.859 70 HA2 GLY 397 2HA GLY 397 21.070 15.639 12.035 71 HA3 GLY 397 1HA GLY 397 21.608 16.786 13.259 72 H ASP 398 H ASP 398 22.654 17.447 10.109 73 HA ASP 398 HA ASP 398 20.497 19.402 9.694 74 HB2 ASP 398 2HB ASP 398 22.226 20.936 8.737 75 HB3 ASP 398 1HB ASP 398 22.433 20.637 10.458 76 H ALA 399 H ALA 399 21.021 16.686 8.673 77 HA ALA 399 HA ALA 399 21.737 17.040 5.893 78 HB1 ALA 399 1HB ALA 399 21.582 14.676 5.699 79 HB2 ALA 399 2HB ALA 399 20.666 14.549 7.199 80 HB3 ALA 399 3HB ALA 399 22.365 15.016 7.243 81 H GLU 400 H GLU 400 19.826 18.672 5.968 82 HA GLU 400 HA GLU 400 17.858 19.295 5.042 83 HB2 GLU 400 2HB GLU 400 18.664 17.423 3.374 84 HB3 GLU 400 1HB GLU 400 17.283 16.554 4.027 85 HG2 GLU 400 2HG GLU 400 16.271 19.059 3.448 86 HG3 GLU 400 1HG GLU 400 17.377 18.726 2.116 87 H GLU 401 H GLU 401 15.394 18.325 4.840 88 HA GLU 401 HA GLU 401 14.617 18.000 7.602 89 HB2 GLU 401 2HB GLU 401 13.462 19.082 5.253 90 HB3 GLU 401 1HB GLU 401 12.428 17.750 5.749 91 HG2 GLU 401 2HG GLU 401 13.302 19.912 7.639 92 HG3 GLU 401 1HG GLU 401 11.847 20.034 6.649 93 H ASP 402 H ASP 402 15.359 15.920 8.122 94 HA ASP 402 HA ASP 402 14.803 13.651 6.515 95 HB2 ASP 402 2HB ASP 402 16.649 13.786 8.226 96 HB3 ASP 402 1HB ASP 402 15.414 13.581 9.468 97 H GLU 403 H GLU 403 13.365 12.041 6.731 98 HA GLU 403 HA GLU 403 10.731 12.751 7.445 99 HB2 GLU 403 2HB GLU 403 12.074 10.186 6.634 100 HB3 GLU 403 1HB GLU 403 10.373 10.221 7.068 101 HG2 GLU 403 2HG GLU 403 10.677 10.319 4.666 102 HG3 GLU 403 1HG GLU 403 9.920 11.785 5.274 103 H ASP 404 H ASP 404 9.806 12.752 9.419 104 HA ASP 404 HA ASP 404 11.101 11.615 11.685 105 HB2 ASP 404 2HB ASP 404 8.432 12.049 12.407 106 HB3 ASP 404 1HB ASP 404 9.780 13.147 12.665 107 H ASP 405 H ASP 405 11.159 9.553 12.169 108 HA ASP 405 HA ASP 405 9.319 7.697 10.922 109 HB2 ASP 405 2HB ASP 405 11.604 7.110 12.817 110 HB3 ASP 405 1HB ASP 405 10.769 5.955 11.782 111 H GLU 406 H GLU 406 8.608 9.580 13.222 112 HA GLU 406 HA GLU 406 7.356 7.515 14.887 113 HB2 GLU 406 2HB GLU 406 9.215 8.510 16.136 114 HB3 GLU 406 1HB GLU 406 8.576 10.118 15.835 115 HG2 GLU 406 2HG GLU 406 8.086 9.413 18.091 116 HG3 GLU 406 1HG GLU 406 6.601 9.587 17.157 117 H ASP 407 H ASP 407 5.431 8.273 16.035 118 HA ASP 407 HA ASP 407 3.448 9.265 16.212 119 HB2 ASP 407 2HB ASP 407 4.760 11.394 16.255 120 HB3 ASP 407 1HB ASP 407 4.419 11.543 14.535 121 H PHE 408 H PHE 408 3.221 7.318 14.790 122 HA PHE 408 HA PHE 408 1.652 8.126 12.434 123 HB2 PHE 408 2HB PHE 408 3.400 5.662 12.766 124 HB3 PHE 408 1HB PHE 408 2.199 5.832 11.506 125 HD1 PHE 408 1HD PHE 408 5.098 7.763 12.872 126 HD2 PHE 408 2HD PHE 408 2.943 6.430 9.460 127 HE1 PHE 408 1HE PHE 408 6.757 8.830 11.408 128 HE2 PHE 408 2HE PHE 408 4.595 7.496 7.994 129 HZ PHE 408 HZ PHE 408 6.497 8.703 8.965 130 H VAL 409 H VAL 409 -0.352 7.566 12.558 131 HA VAL 409 HA VAL 409 -1.224 6.089 14.872 132 HB VAL 409 HB VAL 409 -3.514 6.805 13.962 133 HG11 VAL 409 1HG1 VAL 409 -2.229 7.872 15.730 134 HG12 VAL 409 2HG1 VAL 409 -3.095 9.059 14.749 135 HG13 VAL 409 3HG1 VAL 409 -1.364 8.805 14.511 136 HG21 VAL 409 1HG2 VAL 409 -1.757 8.439 12.183 137 HG22 VAL 409 2HG2 VAL 409 -3.484 8.686 12.442 138 HG23 VAL 409 3HG2 VAL 409 -2.909 7.212 11.663 139 H GLU 410 H GLU 410 -1.571 4.052 14.877 140 HA GLU 410 HA GLU 410 -1.030 2.453 12.681 141 HB2 GLU 410 2HB GLU 410 -0.962 1.861 15.188 142 HB3 GLU 410 1HB GLU 410 -2.670 1.484 15.011 143 HG2 GLU 410 2HG GLU 410 -2.278 -0.388 13.796 144 HG3 GLU 410 1HG GLU 410 -0.823 0.268 13.050 145 H VAL 411 H VAL 411 -2.077 2.174 10.983 146 HA VAL 411 HA VAL 411 -4.906 2.707 10.777 147 HB VAL 411 HB VAL 411 -3.066 1.770 8.552 148 HG11 VAL 411 1HG1 VAL 411 -5.638 3.352 8.596 149 HG12 VAL 411 2HG1 VAL 411 -5.477 1.657 8.133 150 HG13 VAL 411 3HG1 VAL 411 -4.715 2.914 7.158 151 HG21 VAL 411 1HG2 VAL 411 -2.056 3.675 9.545 152 HG22 VAL 411 2HG2 VAL 411 -3.584 4.555 9.482 153 HG23 VAL 411 3HG2 VAL 411 -2.769 4.089 7.988 154 HA PRO 412 HA PRO 412 -5.637 -1.660 11.452 155 HB2 PRO 412 2HB PRO 412 -8.304 -1.502 11.631 156 HB3 PRO 412 1HB PRO 412 -7.262 -0.879 12.917 157 HG2 PRO 412 2HG PRO 412 -8.600 0.613 10.681 158 HG3 PRO 412 1HG PRO 412 -8.544 1.015 12.409 159 HD2 PRO 412 2HD PRO 412 -6.884 2.148 10.589 160 HD3 PRO 412 1HD PRO 412 -6.402 1.856 12.272 161 H GLU 413 H GLU 413 -7.122 -3.286 10.451 162 HA GLU 413 HA GLU 413 -7.114 -2.941 7.557 163 HB2 GLU 413 2HB GLU 413 -7.812 -5.455 9.065 164 HB3 GLU 413 1HB GLU 413 -7.213 -5.303 7.421 165 HG2 GLU 413 2HG GLU 413 -5.561 -4.505 9.791 166 HG3 GLU 413 1HG GLU 413 -5.601 -6.160 9.189 167 H LYS 414 H LYS 414 -8.994 -3.387 6.282 168 HA LYS 414 HA LYS 414 -11.486 -3.121 7.818 169 HB2 LYS 414 2HB LYS 414 -10.572 -1.899 5.288 170 HB3 LYS 414 1HB LYS 414 -12.271 -2.354 5.383 171 HG2 LYS 414 2HG LYS 414 -12.760 -0.690 6.784 172 HG3 LYS 414 1HG LYS 414 -11.302 -0.943 7.745 173 HD2 LYS 414 2HD LYS 414 -10.896 1.137 6.844 174 HD3 LYS 414 1HD LYS 414 -10.103 0.085 5.671 175 HE2 LYS 414 2HE LYS 414 -11.784 0.343 4.106 176 HE3 LYS 414 1HE LYS 414 -12.960 0.878 5.306 177 HZ1 LYS 414 1HZ LYS 414 -10.569 2.529 4.821 178 HZ2 LYS 414 2HZ LYS 414 -12.110 3.002 5.320 179 HZ3 LYS 414 3HZ LYS 414 -11.838 2.593 3.705 180 H GLU 415 H GLU 415 -10.079 -4.549 4.928 181 HA GLU 415 HA GLU 415 -10.560 -6.338 3.661 182 HB2 GLU 415 2HB GLU 415 -9.820 -7.557 5.581 183 HB3 GLU 415 1HB GLU 415 -11.382 -7.386 6.366 184 HG2 GLU 415 2HG GLU 415 -11.187 -9.619 5.564 185 HG3 GLU 415 1HG GLU 415 -12.377 -8.783 4.571 186 H GLY 416 H GLY 416 -13.325 -6.378 5.907 187 HA2 GLY 416 2HA GLY 416 -15.119 -7.287 3.830 188 HA3 GLY 416 1HA GLY 416 -15.540 -6.943 5.502 189 H TYR 417 H TYR 417 -14.249 -5.148 2.779 190 HA TYR 417 HA TYR 417 -16.513 -3.431 2.528 191 HB2 TYR 417 2HB TYR 417 -15.808 -2.100 4.275 192 HB3 TYR 417 1HB TYR 417 -14.144 -2.637 4.147 193 HD1 TYR 417 1HD TYR 417 -16.579 -0.123 3.128 194 HD2 TYR 417 2HD TYR 417 -12.603 -1.531 2.600 195 HE1 TYR 417 1HE TYR 417 -15.951 2.024 2.112 196 HE2 TYR 417 2HE TYR 417 -11.966 0.604 1.577 197 HH TYR 417 HH TYR 417 -14.286 3.284 1.321 198 H GLU 418 H GLU 418 -16.234 -2.074 0.613 199 HA GLU 418 HA GLU 418 -13.844 -2.753 -0.981 200 HB2 GLU 418 2HB GLU 418 -16.564 -3.437 -1.524 201 HB3 GLU 418 1HB GLU 418 -16.059 -2.245 -2.711 202 HG2 GLU 418 2HG GLU 418 -15.729 -4.607 -3.411 203 HG3 GLU 418 1HG GLU 418 -14.271 -3.622 -3.459 204 HA PRO 419 HA PRO 419 -13.022 1.524 -1.649 205 HB2 PRO 419 2HB PRO 419 -13.403 1.025 -4.571 206 HB3 PRO 419 1HB PRO 419 -12.080 1.846 -3.732 207 HG2 PRO 419 2HG PRO 419 -11.767 -0.637 -4.611 208 HG3 PRO 419 1HG PRO 419 -11.108 -0.146 -3.040 209 HD2 PRO 419 2HD PRO 419 -13.503 -1.811 -3.656 210 HD3 PRO 419 1HD PRO 419 -12.368 -1.921 -2.296 211 H HIS 420 H HIS 420 -14.834 2.440 -0.761 212 HA HIS 420 HA HIS 420 -16.502 4.006 -2.427 213 HB2 HIS 420 2HB HIS 420 -17.472 1.369 -1.909 214 HB3 HIS 420 1HB HIS 420 -18.443 2.504 -0.981 215 HD1 HIS 420 1HD HIS 420 -17.242 2.192 -4.602 216 HD2 HIS 420 2HD HIS 420 -20.492 3.489 -2.356 217 HE1 HIS 420 1HE HIS 420 -19.008 2.926 -6.264 218 H ILE 421 H ILE 421 -18.550 4.557 -0.891 219 HA ILE 421 HA ILE 421 -17.424 5.192 1.716 220 HB ILE 421 HB ILE 421 -17.497 7.344 1.213 221 HG12 ILE 421 2HG1 ILE 421 -19.842 8.399 0.902 222 HG13 ILE 421 1HG1 ILE 421 -20.435 6.776 1.236 223 HG21 ILE 421 1HG2 ILE 421 -18.435 8.248 -0.877 224 HG22 ILE 421 2HG2 ILE 421 -19.110 6.657 -1.229 225 HG23 ILE 421 3HG2 ILE 421 -17.362 6.871 -1.133 226 HD11 ILE 421 1HD1 ILE 421 -19.335 6.786 3.386 227 HD12 ILE 421 2HD1 ILE 421 -20.396 8.188 3.234 228 HD13 ILE 421 3HD1 ILE 421 -18.650 8.377 3.054 229 HA PRO 422 HA PRO 422 -21.981 4.182 2.455 230 HB2 PRO 422 2HB PRO 422 -23.745 3.932 0.466 231 HB3 PRO 422 1HB PRO 422 -23.216 5.528 1.012 232 HG2 PRO 422 2HG PRO 422 -22.449 4.010 -1.425 233 HG3 PRO 422 1HG PRO 422 -22.612 5.758 -1.192 234 HD2 PRO 422 2HD PRO 422 -20.212 4.262 -1.144 235 HD3 PRO 422 1HD PRO 422 -20.415 5.954 -0.656 236 H ASP 423 H ASP 423 -19.841 2.416 1.475 237 HA ASP 423 HA ASP 423 -21.163 0.095 0.363 238 HB2 ASP 423 2HB ASP 423 -18.855 0.741 -0.310 239 HB3 ASP 423 1HB ASP 423 -18.315 0.404 1.333 240 H HIS 424 H HIS 424 -22.449 -0.956 1.745 241 HA HIS 424 HA HIS 424 -21.270 -1.864 4.281 242 HB2 HIS 424 2HB HIS 424 -24.187 -1.128 4.119 243 HB3 HIS 424 1HB HIS 424 -23.196 -1.372 5.549 244 HD1 HIS 424 1HD HIS 424 -21.017 0.613 5.395 245 HD2 HIS 424 2HD HIS 424 -24.805 1.441 3.903 246 HE1 HIS 424 1HE HIS 424 -21.222 3.131 5.343 247 H LEU 425 H LEU 425 -21.702 -3.065 1.607 248 HA LEU 425 HA LEU 425 -23.234 -5.404 2.489 249 HB2 LEU 425 2HB LEU 425 -23.478 -4.068 -0.212 250 HB3 LEU 425 1HB LEU 425 -24.186 -5.615 0.207 251 HG LEU 425 HG LEU 425 -24.890 -3.056 1.642 252 HD11 LEU 425 1HD1 LEU 425 -26.905 -2.999 0.258 253 HD12 LEU 425 2HD1 LEU 425 -26.297 -4.358 -0.686 254 HD13 LEU 425 3HD1 LEU 425 -25.449 -2.812 -0.717 255 HD21 LEU 425 1HD2 LEU 425 -25.334 -5.209 2.793 256 HD22 LEU 425 2HD2 LEU 425 -26.346 -5.690 1.429 257 HD23 LEU 425 3HD2 LEU 425 -26.799 -4.302 2.417 258 H ARG 426 H ARG 426 -22.902 -6.664 -0.110 259 HA ARG 426 HA ARG 426 -20.410 -6.751 -1.144 260 HB2 ARG 426 2HB ARG 426 -19.753 -7.333 1.274 261 HB3 ARG 426 1HB ARG 426 -20.418 -8.923 0.918 262 HG2 ARG 426 2HG ARG 426 -18.078 -9.031 0.533 263 HG3 ARG 426 1HG ARG 426 -18.867 -9.043 -1.043 264 HD2 ARG 426 2HD ARG 426 -17.434 -6.748 0.290 265 HD3 ARG 426 1HD ARG 426 -16.981 -7.585 -1.193 266 HE ARG 426 HE ARG 426 -19.110 -6.610 -2.133 267 HH11 ARG 426 1HH1 ARG 426 -17.246 -5.033 0.359 268 HH12 ARG 426 2HH1 ARG 426 -17.976 -3.474 0.112 269 HH21 ARG 426 1HH2 ARG 426 -20.103 -4.584 -2.464 270 HH22 ARG 426 2HH2 ARG 426 -19.598 -3.216 -1.490 271 HA PRO 427 HA PRO 427 -22.548 -10.883 -2.190 272 HB2 PRO 427 2HB PRO 427 -24.924 -11.478 -1.067 273 HB3 PRO 427 1HB PRO 427 -23.387 -11.892 -0.302 274 HG2 PRO 427 2HG PRO 427 -25.257 -9.643 0.294 275 HG3 PRO 427 1HG PRO 427 -24.318 -10.649 1.410 276 HD2 PRO 427 2HD PRO 427 -23.593 -8.113 0.612 277 HD3 PRO 427 1HD PRO 427 -22.457 -9.338 1.205 278 H GLU 428 H GLU 428 -22.809 -8.525 -3.476 279 HA GLU 428 HA GLU 428 -25.584 -8.522 -4.455 280 HB2 GLU 428 2HB GLU 428 -25.194 -6.225 -5.230 281 HB3 GLU 428 1HB GLU 428 -24.954 -6.365 -3.495 282 HG2 GLU 428 2HG GLU 428 -22.549 -6.683 -5.176 283 HG3 GLU 428 1HG GLU 428 -23.270 -5.074 -5.128 284 H TYR 429 H TYR 429 -25.621 -7.665 -6.826 285 HA TYR 429 HA TYR 429 -23.392 -8.419 -8.464 286 HB2 TYR 429 2HB TYR 429 -24.579 -10.608 -7.861 287 HB3 TYR 429 1HB TYR 429 -25.932 -10.017 -8.817 288 HD1 TYR 429 1HD TYR 429 -25.944 -10.256 -11.158 289 HD2 TYR 429 2HD TYR 429 -22.337 -10.913 -9.001 290 HE1 TYR 429 1HE TYR 429 -24.895 -11.144 -13.197 291 HE2 TYR 429 2HE TYR 429 -21.275 -11.801 -11.035 292 HH TYR 429 HH TYR 429 -22.405 -11.328 -14.047 293 H GLY 430 H GLY 430 -23.636 -7.682 -10.612 294 HA2 GLY 430 2HA GLY 430 -25.082 -6.834 -12.375 295 HA3 GLY 430 1HA GLY 430 -26.122 -6.165 -11.125 296 H LEU 431 H LEU 431 -22.698 -5.962 -10.771 297 HA LEU 431 HA LEU 431 -22.788 -3.104 -11.510 298 HB2 LEU 431 2HB LEU 431 -21.280 -4.373 -9.217 299 HB3 LEU 431 1HB LEU 431 -21.170 -2.688 -9.687 300 HG LEU 431 HG LEU 431 -23.697 -4.022 -8.709 301 HD11 LEU 431 1HD1 LEU 431 -22.036 -3.938 -6.939 302 HD12 LEU 431 2HD1 LEU 431 -23.324 -2.772 -6.638 303 HD13 LEU 431 3HD1 LEU 431 -21.765 -2.224 -7.253 304 HD21 LEU 431 1HD2 LEU 431 -24.137 -2.134 -10.161 305 HD22 LEU 431 2HD2 LEU 431 -23.014 -1.132 -9.242 306 HD23 LEU 431 3HD2 LEU 431 -24.502 -1.705 -8.489 307 H GLU 432 H GLU 432 -21.888 -5.756 -12.729 308 HA GLU 432 HA GLU 432 -19.037 -5.383 -13.076 309 HB2 GLU 432 2HB GLU 432 -20.818 -7.347 -14.522 310 HB3 GLU 432 1HB GLU 432 -19.077 -7.438 -14.305 311 HG2 GLU 432 2HG GLU 432 -19.924 -9.004 -12.808 312 HG3 GLU 432 1HG GLU 432 -19.577 -7.599 -11.803 313 H ALA 433 H ALA 433 -21.670 -3.925 -14.340 314 HA ALA 433 HA ALA 433 -20.235 -3.205 -16.784 315 HB1 ALA 433 1HB ALA 433 -22.257 -3.381 -18.136 316 HB2 ALA 433 2HB ALA 433 -23.151 -3.988 -16.742 317 HB3 ALA 433 3HB ALA 433 -21.840 -4.944 -17.433 318 H ALA 434 H ALA 434 -20.721 -1.132 -17.562 319 HA ALA 434 HA ALA 434 -22.653 0.536 -16.244 320 HB1 ALA 434 1HB ALA 434 -19.709 1.119 -15.891 321 HB2 ALA 434 2HB ALA 434 -20.819 0.617 -14.617 322 HB3 ALA 434 3HB ALA 434 -21.036 2.177 -15.410 323 H MET 1 2HT MET 1 5.758 -11.706 -0.029 324 HA MET 1 HA MET 1 7.782 -13.454 1.224 325 HB2 MET 1 2HB MET 1 5.473 -14.348 1.188 326 HB3 MET 1 1HB MET 1 5.420 -14.108 -0.551 327 HG2 MET 1 2HG MET 1 7.650 -15.738 0.483 328 HG3 MET 1 1HG MET 1 6.038 -16.437 0.601 329 HE1 MET 1 1HE MET 1 8.470 -17.715 -1.119 330 HE2 MET 1 2HE MET 1 7.554 -18.244 -2.530 331 HE3 MET 1 3HE MET 1 6.876 -18.441 -0.913 332 H ALA 2 H ALA 2 6.341 -12.507 -1.920 333 HA ALA 2 HA ALA 2 9.038 -12.741 -3.083 334 HB1 ALA 2 1HB ALA 2 8.127 -13.681 -5.093 335 HB2 ALA 2 2HB ALA 2 6.481 -13.481 -4.496 336 HB3 ALA 2 3HB ALA 2 7.561 -14.641 -3.726 337 H THR 3 H THR 3 9.294 -11.487 -5.105 338 HA THR 3 HA THR 3 7.694 -9.017 -5.023 339 HB THR 3 HB THR 3 10.616 -9.335 -5.742 340 HG1 THR 3 1HG THR 3 10.991 -8.700 -3.747 341 HG21 THR 3 1HG2 THR 3 10.627 -6.865 -5.876 342 HG22 THR 3 2HG2 THR 3 8.874 -6.866 -5.682 343 HG23 THR 3 3HG2 THR 3 9.604 -7.600 -7.110 344 H SER 4 H SER 4 6.416 -8.877 -6.723 345 HA SER 4 HA SER 4 7.383 -9.868 -9.316 346 HB2 SER 4 2HB SER 4 4.481 -9.632 -8.498 347 HB3 SER 4 1HB SER 4 5.147 -10.485 -9.891 348 HG SER 4 HG SER 4 4.529 -11.706 -7.856 349 H SER 5 H SER 5 5.996 -8.730 -11.130 350 HA SER 5 HA SER 5 5.782 -5.872 -10.484 351 HB2 SER 5 2HB SER 5 6.881 -7.021 -13.061 352 HB3 SER 5 1HB SER 5 6.771 -5.313 -12.631 353 HG SER 5 HG SER 5 8.067 -6.572 -10.685 354 H GLU 6 H GLU 6 3.553 -6.914 -10.172 355 HA GLU 6 HA GLU 6 2.083 -7.358 -12.626 356 HB2 GLU 6 2HB GLU 6 0.249 -7.977 -11.247 357 HB3 GLU 6 1HB GLU 6 1.686 -8.656 -10.496 358 HG2 GLU 6 2HG GLU 6 0.811 -5.981 -9.584 359 HG3 GLU 6 1HG GLU 6 -0.179 -7.363 -9.123 360 H GLU 7 H GLU 7 -0.215 -6.275 -12.518 361 HA GLU 7 HA GLU 7 -0.027 -3.662 -13.298 362 HB2 GLU 7 2HB GLU 7 -1.978 -5.304 -13.535 363 HB3 GLU 7 1HB GLU 7 -2.480 -4.760 -11.940 364 HG2 GLU 7 2HG GLU 7 -3.592 -3.642 -13.906 365 HG3 GLU 7 1HG GLU 7 -2.886 -2.572 -12.694 366 H VAL 8 H VAL 8 -0.227 -1.683 -12.387 367 HA VAL 8 HA VAL 8 0.216 -1.552 -9.504 368 HB VAL 8 HB VAL 8 0.205 0.780 -11.417 369 HG11 VAL 8 1HG1 VAL 8 0.105 1.326 -9.043 370 HG12 VAL 8 2HG1 VAL 8 1.655 1.801 -9.735 371 HG13 VAL 8 3HG1 VAL 8 1.540 0.345 -8.748 372 HG21 VAL 8 1HG2 VAL 8 2.666 0.504 -11.535 373 HG22 VAL 8 2HG2 VAL 8 1.783 -0.811 -12.310 374 HG23 VAL 8 3HG2 VAL 8 2.500 -1.049 -10.716 375 H LEU 9 H LEU 9 -1.556 -1.549 -8.313 376 HA LEU 9 HA LEU 9 -4.098 -0.684 -9.268 377 HB2 LEU 9 2HB LEU 9 -3.216 -1.320 -6.452 378 HB3 LEU 9 1HB LEU 9 -4.875 -1.147 -6.988 379 HG LEU 9 HG LEU 9 -2.942 -3.311 -7.821 380 HD11 LEU 9 1HD1 LEU 9 -5.444 -3.366 -6.143 381 HD12 LEU 9 2HD1 LEU 9 -3.792 -3.616 -5.579 382 HD13 LEU 9 3HD1 LEU 9 -4.538 -4.784 -6.668 383 HD21 LEU 9 1HD2 LEU 9 -4.849 -4.278 -9.028 384 HD22 LEU 9 2HD2 LEU 9 -4.379 -2.711 -9.687 385 HD23 LEU 9 3HD2 LEU 9 -5.803 -2.843 -8.656 386 H LEU 10 H LEU 10 -1.613 0.748 -7.199 387 HA LEU 10 HA LEU 10 -3.075 3.295 -7.423 388 HB2 LEU 10 2HB LEU 10 -3.421 2.078 -5.200 389 HB3 LEU 10 1HB LEU 10 -1.748 2.475 -4.855 390 HG LEU 10 HG LEU 10 -2.420 4.914 -5.299 391 HD11 LEU 10 1HD1 LEU 10 -4.764 5.450 -4.875 392 HD12 LEU 10 2HD1 LEU 10 -5.156 3.730 -4.865 393 HD13 LEU 10 3HD1 LEU 10 -4.573 4.494 -6.344 394 HD21 LEU 10 1HD2 LEU 10 -3.525 3.447 -2.914 395 HD22 LEU 10 2HD2 LEU 10 -3.231 5.183 -3.007 396 HD23 LEU 10 3HD2 LEU 10 -1.882 4.053 -3.096 397 H ILE 11 H ILE 11 -1.827 4.934 -8.038 398 HA ILE 11 HA ILE 11 1.092 4.599 -7.836 399 HB ILE 11 HB ILE 11 -0.489 6.155 -9.892 400 HG12 ILE 11 2HG1 ILE 11 1.187 3.645 -10.101 401 HG13 ILE 11 1HG1 ILE 11 -0.560 3.751 -10.276 402 HG21 ILE 11 1HG2 ILE 11 2.498 5.797 -9.663 403 HG22 ILE 11 2HG2 ILE 11 1.613 7.276 -9.286 404 HG23 ILE 11 3HG2 ILE 11 1.641 6.663 -10.940 405 HD11 ILE 11 1HD1 ILE 11 -0.256 5.124 -12.285 406 HD12 ILE 11 2HD1 ILE 11 0.499 3.538 -12.432 407 HD13 ILE 11 3HD1 ILE 11 1.492 4.960 -12.113 408 H VAL 12 H VAL 12 1.975 5.842 -6.370 409 HA VAL 12 HA VAL 12 0.785 8.475 -5.770 410 HB VAL 12 HB VAL 12 2.554 6.794 -3.978 411 HG11 VAL 12 1HG1 VAL 12 2.640 9.206 -3.555 412 HG12 VAL 12 2HG1 VAL 12 1.881 8.330 -2.226 413 HG13 VAL 12 3HG1 VAL 12 0.886 9.230 -3.373 414 HG21 VAL 12 1HG2 VAL 12 0.519 6.310 -2.695 415 HG22 VAL 12 2HG2 VAL 12 0.434 5.661 -4.332 416 HG23 VAL 12 3HG2 VAL 12 -0.441 7.136 -3.922 417 H LYS 13 H LYS 13 2.149 10.272 -5.798 418 HA LYS 13 HA LYS 13 4.870 9.708 -6.802 419 HB2 LYS 13 2HB LYS 13 2.841 11.718 -7.641 420 HB3 LYS 13 1HB LYS 13 4.540 12.166 -7.740 421 HG2 LYS 13 2HG LYS 13 3.195 9.841 -9.103 422 HG3 LYS 13 1HG LYS 13 3.845 11.298 -9.862 423 HD2 LYS 13 2HD LYS 13 6.094 10.677 -9.137 424 HD3 LYS 13 1HD LYS 13 5.451 9.233 -8.356 425 HE2 LYS 13 2HE LYS 13 4.687 8.407 -10.534 426 HE3 LYS 13 1HE LYS 13 5.347 9.848 -11.308 427 HZ1 LYS 13 1HZ LYS 13 7.522 9.059 -10.106 428 HZ2 LYS 13 2HZ LYS 13 7.063 8.393 -11.591 429 HZ3 LYS 13 3HZ LYS 13 6.757 7.542 -10.163 430 H LYS 14 H LYS 14 6.456 11.416 -6.424 431 HA LYS 14 HA LYS 14 7.817 12.449 -4.952 432 HB2 LYS 14 2HB LYS 14 5.264 13.912 -5.002 433 HB3 LYS 14 1HB LYS 14 6.396 14.377 -3.736 434 HG2 LYS 14 2HG LYS 14 8.007 15.065 -5.287 435 HG3 LYS 14 1HG LYS 14 7.238 14.184 -6.607 436 HD2 LYS 14 2HD LYS 14 6.781 16.498 -6.937 437 HD3 LYS 14 1HD LYS 14 5.285 15.741 -6.389 438 HE2 LYS 14 2HE LYS 14 5.929 16.491 -4.052 439 HE3 LYS 14 1HE LYS 14 7.182 17.469 -4.816 440 HZ1 LYS 14 1HZ LYS 14 5.436 18.585 -6.099 441 HZ2 LYS 14 2HZ LYS 14 5.212 18.790 -4.432 442 HZ3 LYS 14 3HZ LYS 14 4.254 17.684 -5.291 443 H VAL 15 H VAL 15 7.634 10.275 -3.810 444 HA VAL 15 HA VAL 15 6.777 10.738 -1.024 445 HB VAL 15 HB VAL 15 6.722 8.153 -2.595 446 HG11 VAL 15 1HG1 VAL 15 5.937 7.086 -0.529 447 HG12 VAL 15 2HG1 VAL 15 6.218 8.590 0.348 448 HG13 VAL 15 3HG1 VAL 15 7.577 7.714 -0.356 449 HG21 VAL 15 1HG2 VAL 15 4.549 9.714 -1.210 450 HG22 VAL 15 2HG2 VAL 15 4.342 8.183 -2.062 451 HG23 VAL 15 3HG2 VAL 15 4.815 9.631 -2.951 452 H ARG 16 H ARG 16 8.401 10.722 0.374 453 HA ARG 16 HA ARG 16 10.992 9.688 -0.543 454 HB2 ARG 16 2HB ARG 16 10.451 11.574 1.749 455 HB3 ARG 16 1HB ARG 16 12.010 11.188 1.037 456 HG2 ARG 16 2HG ARG 16 11.467 12.322 -0.975 457 HG3 ARG 16 1HG ARG 16 9.783 12.510 -0.482 458 HD2 ARG 16 2HD ARG 16 10.256 14.407 0.563 459 HD3 ARG 16 1HD ARG 16 11.501 13.607 1.524 460 HE ARG 16 HE ARG 16 12.183 14.405 -1.212 461 HH11 ARG 16 1HH1 ARG 16 12.424 14.992 2.236 462 HH12 ARG 16 2HH1 ARG 16 13.805 16.049 2.099 463 HH21 ARG 16 1HH2 ARG 16 14.000 15.764 -1.397 464 HH22 ARG 16 2HH2 ARG 16 14.718 16.469 0.031 465 H GLN 17 H GLN 17 12.134 8.253 0.570 466 HA GLN 17 HA GLN 17 11.013 7.193 3.078 467 HB2 GLN 17 2HB GLN 17 10.634 5.645 1.173 468 HB3 GLN 17 1HB GLN 17 12.362 5.626 0.860 469 HG2 GLN 17 2HG GLN 17 11.550 4.893 3.593 470 HG3 GLN 17 1HG GLN 17 11.068 3.776 2.319 471 HE21 GLN 17 1HE2 GLN 17 13.359 4.367 0.649 472 HE22 GLN 17 2HE2 GLN 17 14.722 3.615 1.395 473 H LYS 18 H LYS 18 12.375 7.997 4.563 474 HA LYS 18 HA LYS 18 14.245 8.647 5.651 475 HB2 LYS 18 2HB LYS 18 14.731 5.957 4.573 476 HB3 LYS 18 1HB LYS 18 16.135 6.788 5.235 477 HG2 LYS 18 2HG LYS 18 13.543 6.274 6.690 478 HG3 LYS 18 1HG LYS 18 15.027 5.341 6.880 479 HD2 LYS 18 2HD LYS 18 15.234 6.775 8.654 480 HD3 LYS 18 1HD LYS 18 16.046 7.721 7.408 481 HE2 LYS 18 2HE LYS 18 14.209 9.142 7.128 482 HE3 LYS 18 1HE LYS 18 13.105 8.018 7.917 483 HZ1 LYS 18 1HZ LYS 18 14.304 8.452 10.013 484 HZ2 LYS 18 2HZ LYS 18 13.550 9.826 9.379 485 HZ3 LYS 18 3HZ LYS 18 15.228 9.646 9.221 486 H LYS 19 H LYS 19 14.300 10.431 3.994 487 HA LYS 19 HA LYS 19 15.477 11.933 2.820 488 HB2 LYS 19 2HB LYS 19 17.504 10.201 4.015 489 HB3 LYS 19 1HB LYS 19 18.073 11.235 2.706 490 HG2 LYS 19 2HG LYS 19 16.592 12.193 5.152 491 HG3 LYS 19 1HG LYS 19 18.347 12.222 4.963 492 HD2 LYS 19 2HD LYS 19 18.267 14.085 3.737 493 HD3 LYS 19 1HD LYS 19 17.003 13.425 2.697 494 HE2 LYS 19 2HE LYS 19 16.545 14.642 5.420 495 HE3 LYS 19 1HE LYS 19 16.318 15.485 3.887 496 HZ1 LYS 19 1HZ LYS 19 14.599 13.932 3.289 497 HZ2 LYS 19 2HZ LYS 19 14.237 14.590 4.803 498 HZ3 LYS 19 3HZ LYS 19 14.855 13.017 4.687 499 H GLN 20 H GLN 20 14.784 9.040 1.609 500 HA GLN 20 HA GLN 20 16.226 9.511 -0.914 501 HB2 GLN 20 2HB GLN 20 14.885 7.033 0.184 502 HB3 GLN 20 1HB GLN 20 15.476 7.161 -1.468 503 HG2 GLN 20 2HG GLN 20 17.652 7.015 -0.850 504 HG3 GLN 20 1HG GLN 20 17.379 7.803 0.704 505 HE21 GLN 20 1HE2 GLN 20 16.803 6.589 2.467 506 HE22 GLN 20 2HE2 GLN 20 16.859 4.860 2.475 507 H ASP 21 H ASP 21 15.074 10.530 -2.427 508 HA ASP 21 HA ASP 21 12.204 10.759 -2.162 509 HB2 ASP 21 2HB ASP 21 14.167 12.417 -3.176 510 HB3 ASP 21 1HB ASP 21 13.362 11.823 -4.626 511 H GLY 22 H GLY 22 10.667 10.105 -3.708 512 HA2 GLY 22 2HA GLY 22 11.228 8.780 -6.101 513 HA3 GLY 22 1HA GLY 22 11.144 7.562 -4.839 514 H ALA 23 H ALA 23 9.330 6.598 -5.720 515 HA ALA 23 HA ALA 23 6.832 8.014 -5.150 516 HB1 ALA 23 1HB ALA 23 5.842 7.368 -7.253 517 HB2 ALA 23 2HB ALA 23 7.327 6.547 -7.734 518 HB3 ALA 23 3HB ALA 23 7.307 8.301 -7.556 519 H LEU 24 H LEU 24 5.082 6.676 -4.677 520 HA LEU 24 HA LEU 24 5.860 3.935 -3.947 521 HB2 LEU 24 2HB LEU 24 5.133 5.496 -2.125 522 HB3 LEU 24 1HB LEU 24 3.550 5.553 -2.882 523 HG LEU 24 HG LEU 24 3.583 2.983 -2.632 524 HD11 LEU 24 1HD1 LEU 24 5.942 2.799 -2.030 525 HD12 LEU 24 2HD1 LEU 24 4.890 2.142 -0.775 526 HD13 LEU 24 3HD1 LEU 24 5.634 3.726 -0.561 527 HD21 LEU 24 1HD2 LEU 24 2.094 4.498 -1.408 528 HD22 LEU 24 2HD2 LEU 24 3.354 4.748 -0.197 529 HD23 LEU 24 3HD2 LEU 24 2.628 3.152 -0.399 530 H TYR 25 H TYR 25 4.852 2.256 -4.829 531 HA TYR 25 HA TYR 25 2.447 2.778 -6.450 532 HB2 TYR 25 2HB TYR 25 4.666 0.849 -7.155 533 HB3 TYR 25 1HB TYR 25 3.244 1.212 -8.124 534 HD1 TYR 25 1HD TYR 25 6.594 2.247 -7.214 535 HD2 TYR 25 2HD TYR 25 3.037 3.446 -9.216 536 HE1 TYR 25 1HE TYR 25 7.846 4.027 -8.359 537 HE2 TYR 25 2HE TYR 25 4.279 5.230 -10.367 538 HH TYR 25 HH TYR 25 7.715 5.410 -10.309 539 H LEU 26 H LEU 26 0.770 1.750 -5.581 540 HA LEU 26 HA LEU 26 1.161 -0.595 -3.926 541 HB2 LEU 26 2HB LEU 26 -1.377 0.789 -4.802 542 HB3 LEU 26 1HB LEU 26 -1.319 -0.584 -3.715 543 HG LEU 26 HG LEU 26 -0.589 2.253 -3.219 544 HD11 LEU 26 1HD1 LEU 26 -1.975 0.136 -1.583 545 HD12 LEU 26 2HD1 LEU 26 -2.765 1.397 -2.527 546 HD13 LEU 26 3HD1 LEU 26 -1.781 1.829 -1.129 547 HD21 LEU 26 1HD2 LEU 26 0.543 -0.050 -1.654 548 HD22 LEU 26 2HD2 LEU 26 0.686 1.661 -1.249 549 HD23 LEU 26 3HD2 LEU 26 1.458 1.031 -2.703 550 H MET 27 H MET 27 0.965 -2.651 -4.618 551 HA MET 27 HA MET 27 0.034 -3.003 -7.390 552 HB2 MET 27 2HB MET 27 1.838 -4.999 -6.131 553 HB3 MET 27 1HB MET 27 1.730 -4.450 -7.799 554 HG2 MET 27 2HG MET 27 2.702 -2.252 -6.961 555 HG3 MET 27 1HG MET 27 3.116 -3.140 -5.498 556 HE1 MET 27 1HE MET 27 5.081 -3.303 -9.566 557 HE2 MET 27 2HE MET 27 4.202 -1.976 -8.803 558 HE3 MET 27 3HE MET 27 3.326 -3.384 -9.404 559 H ALA 28 H ALA 28 -0.688 -5.282 -7.814 560 HA ALA 28 HA ALA 28 -3.001 -5.851 -6.491 561 HB1 ALA 28 1HB ALA 28 -1.281 -7.854 -7.934 562 HB2 ALA 28 2HB ALA 28 -2.398 -6.722 -8.694 563 HB3 ALA 28 3HB ALA 28 -3.013 -7.983 -7.626 564 H GLU 29 H GLU 29 0.117 -7.576 -5.897 565 HA GLU 29 HA GLU 29 -1.148 -8.545 -3.403 566 HB2 GLU 29 2HB GLU 29 1.243 -9.897 -4.576 567 HB3 GLU 29 1HB GLU 29 -0.010 -10.554 -3.536 568 HG2 GLU 29 2HG GLU 29 -1.547 -10.692 -5.337 569 HG3 GLU 29 1HG GLU 29 -0.487 -9.761 -6.394 570 H ARG 30 H ARG 30 0.799 -6.111 -4.167 571 HA ARG 30 HA ARG 30 2.162 -6.241 -1.638 572 HB2 ARG 30 2HB ARG 30 4.418 -6.351 -2.353 573 HB3 ARG 30 1HB ARG 30 3.585 -7.676 -3.153 574 HG2 ARG 30 2HG ARG 30 3.352 -5.787 -5.052 575 HG3 ARG 30 1HG ARG 30 4.858 -5.269 -4.291 576 HD2 ARG 30 2HD ARG 30 5.692 -6.741 -5.824 577 HD3 ARG 30 1HD ARG 30 5.416 -7.851 -4.479 578 HE ARG 30 HE ARG 30 3.634 -7.528 -6.816 579 HH11 ARG 30 1HH1 ARG 30 4.963 -9.525 -4.244 580 HH12 ARG 30 2HH1 ARG 30 3.959 -10.883 -4.631 581 HH21 ARG 30 1HH2 ARG 30 2.349 -9.296 -7.306 582 HH22 ARG 30 2HH2 ARG 30 2.433 -10.758 -6.351 583 H ILE 31 H ILE 31 3.720 -4.395 -1.374 584 HA ILE 31 HA ILE 31 2.844 -2.044 -2.915 585 HB ILE 31 HB ILE 31 1.842 -1.643 -0.833 586 HG12 ILE 31 2HG1 ILE 31 4.598 -0.418 -0.559 587 HG13 ILE 31 1HG1 ILE 31 3.290 0.237 -1.539 588 HG21 ILE 31 1HG2 ILE 31 2.750 -3.528 0.374 589 HG22 ILE 31 2HG2 ILE 31 2.910 -2.059 1.335 590 HG23 ILE 31 3HG2 ILE 31 4.314 -2.724 0.502 591 HD11 ILE 31 1HD1 ILE 31 3.483 1.425 0.563 592 HD12 ILE 31 2HD1 ILE 31 3.271 -0.082 1.454 593 HD13 ILE 31 3HD1 ILE 31 1.949 0.559 0.480 594 H ALA 32 H ALA 32 4.494 -1.041 -3.899 595 HA ALA 32 HA ALA 32 7.192 -1.553 -2.849 596 HB1 ALA 32 1HB ALA 32 8.023 -1.724 -5.132 597 HB2 ALA 32 2HB ALA 32 6.383 -1.524 -5.748 598 HB3 ALA 32 3HB ALA 32 6.801 -2.950 -4.797 599 H TRP 33 H TRP 33 8.739 0.011 -3.188 600 HA TRP 33 HA TRP 33 7.775 2.643 -4.075 601 HB2 TRP 33 2HB TRP 33 7.836 2.691 -1.642 602 HB3 TRP 33 1HB TRP 33 9.460 2.023 -1.636 603 HD1 TRP 33 HD TRP 33 7.571 5.293 -2.197 604 HE1 TRP 33 1HE TRP 33 9.266 7.241 -2.218 605 HE3 TRP 33 3HE TRP 33 11.914 2.593 -2.153 606 HZ2 TRP 33 2HZ TRP 33 12.062 7.571 -2.214 607 HZ3 TRP 33 3HZ TRP 33 14.054 3.802 -2.162 608 HH2 TRP 33 HH TRP 33 14.125 6.240 -2.192 609 H ALA 34 H ALA 34 9.118 3.671 -5.443 610 HA ALA 34 HA ALA 34 11.863 2.664 -5.730 611 HB1 ALA 34 1HB ALA 34 11.673 2.640 -8.146 612 HB2 ALA 34 2HB ALA 34 9.994 3.172 -8.043 613 HB3 ALA 34 3HB ALA 34 10.453 1.579 -7.441 614 HA PRO 35 HA PRO 35 12.832 6.989 -5.656 615 HB2 PRO 35 2HB PRO 35 15.197 6.846 -7.078 616 HB3 PRO 35 1HB PRO 35 15.052 6.509 -5.350 617 HG2 PRO 35 2HG PRO 35 15.148 4.609 -7.654 618 HG3 PRO 35 1HG PRO 35 15.904 4.474 -6.055 619 HD2 PRO 35 2HD PRO 35 13.666 3.122 -6.680 620 HD3 PRO 35 1HD PRO 35 13.940 3.768 -5.048 621 H GLU 36 H GLU 36 12.501 8.714 -7.024 622 HA GLU 36 HA GLU 36 11.168 8.274 -9.444 623 HB2 GLU 36 2HB GLU 36 11.168 10.346 -7.870 624 HB3 GLU 36 1HB GLU 36 12.534 10.877 -8.844 625 HG2 GLU 36 2HG GLU 36 10.366 11.806 -9.579 626 HG3 GLU 36 1HG GLU 36 11.203 10.884 -10.828 627 H GLY 37 H GLY 37 11.939 7.630 -11.307 628 HA2 GLY 37 2HA GLY 37 13.338 8.177 -13.225 629 HA3 GLY 37 1HA GLY 37 14.647 8.497 -12.096 630 H LYS 38 H LYS 38 13.335 5.924 -10.728 631 HA LYS 38 HA LYS 38 15.083 4.093 -12.218 632 HB2 LYS 38 2HB LYS 38 15.520 4.470 -9.775 633 HB3 LYS 38 1HB LYS 38 13.966 3.723 -9.435 634 HG2 LYS 38 2HG LYS 38 15.940 2.218 -9.173 635 HG3 LYS 38 1HG LYS 38 14.695 1.621 -10.270 636 HD2 LYS 38 2HD LYS 38 16.030 2.469 -12.178 637 HD3 LYS 38 1HD LYS 38 17.296 2.947 -11.044 638 HE2 LYS 38 2HE LYS 38 17.942 0.793 -10.643 639 HE3 LYS 38 1HE LYS 38 16.332 0.140 -10.938 640 HZ1 LYS 38 1HZ LYS 38 18.113 1.184 -13.070 641 HZ2 LYS 38 2HZ LYS 38 16.636 0.377 -13.283 642 HZ3 LYS 38 3HZ LYS 38 17.979 -0.453 -12.662 643 H ASP 39 H ASP 39 14.375 2.196 -13.021 644 HA ASP 39 HA ASP 39 11.544 1.919 -13.504 645 HB2 ASP 39 2HB ASP 39 12.200 0.171 -15.047 646 HB3 ASP 39 1HB ASP 39 13.290 1.541 -15.257 647 H ARG 40 H ARG 40 13.810 0.645 -11.277 648 HA ARG 40 HA ARG 40 11.963 -1.547 -10.633 649 HB2 ARG 40 2HB ARG 40 14.545 -1.859 -11.386 650 HB3 ARG 40 1HB ARG 40 14.736 -1.739 -9.642 651 HG2 ARG 40 2HG ARG 40 14.495 -4.063 -10.539 652 HG3 ARG 40 1HG ARG 40 13.356 -3.626 -9.266 653 HD2 ARG 40 2HD ARG 40 12.368 -4.886 -11.206 654 HD3 ARG 40 1HD ARG 40 11.583 -3.357 -10.824 655 HE ARG 40 HE ARG 40 13.414 -2.708 -12.744 656 HH11 ARG 40 1HH1 ARG 40 10.779 -5.014 -12.550 657 HH12 ARG 40 2HH1 ARG 40 10.434 -4.947 -14.244 658 HH21 ARG 40 1HH2 ARG 40 12.975 -2.602 -14.948 659 HH22 ARG 40 2HH2 ARG 40 11.695 -3.572 -15.623 660 H PHE 41 H PHE 41 11.303 -1.813 -8.597 661 HA PHE 41 HA PHE 41 11.558 0.425 -6.813 662 HB2 PHE 41 2HB PHE 41 10.204 -2.120 -6.019 663 HB3 PHE 41 1HB PHE 41 9.733 -0.455 -5.695 664 HD1 PHE 41 1HD PHE 41 8.627 0.879 -7.463 665 HD2 PHE 41 2HD PHE 41 9.442 -3.272 -7.948 666 HE1 PHE 41 1HE PHE 41 7.019 0.781 -9.323 667 HE2 PHE 41 2HE PHE 41 7.839 -3.373 -9.810 668 HZ PHE 41 HZ PHE 41 6.624 -1.343 -10.499 669 H THR 42 H THR 42 12.735 0.537 -4.978 670 HA THR 42 HA THR 42 14.644 -1.596 -4.470 671 HB THR 42 HB THR 42 15.279 0.214 -2.609 672 HG1 THR 42 1HG THR 42 14.520 2.183 -3.040 673 HG21 THR 42 1HG2 THR 42 16.802 1.242 -4.249 674 HG22 THR 42 2HG2 THR 42 15.875 0.509 -5.558 675 HG23 THR 42 3HG2 THR 42 16.750 -0.514 -4.418 676 H ILE 43 H ILE 43 11.762 -0.229 -3.154 677 HA ILE 43 HA ILE 43 11.978 -1.924 -0.753 678 HB ILE 43 HB ILE 43 10.151 0.434 -1.260 679 HG12 ILE 43 2HG1 ILE 43 12.522 1.080 -0.966 680 HG13 ILE 43 1HG1 ILE 43 11.507 1.646 0.355 681 HG21 ILE 43 1HG2 ILE 43 10.552 -1.230 1.220 682 HG22 ILE 43 2HG2 ILE 43 9.111 -1.185 0.203 683 HG23 ILE 43 3HG2 ILE 43 9.586 0.242 1.125 684 HD11 ILE 43 1HD1 ILE 43 12.310 -0.144 1.770 685 HD12 ILE 43 2HD1 ILE 43 13.661 0.790 1.127 686 HD13 ILE 43 3HD1 ILE 43 13.273 -0.788 0.441 687 H SER 44 H SER 44 10.778 -3.733 -0.779 688 HA SER 44 HA SER 44 8.242 -3.722 -2.238 689 HB2 SER 44 2HB SER 44 9.853 -4.704 -3.780 690 HB3 SER 44 1HB SER 44 10.406 -5.821 -2.533 691 HG SER 44 HG SER 44 8.965 -7.066 -3.455 692 H HIS 45 H HIS 45 6.727 -4.229 -0.829 693 HA HIS 45 HA HIS 45 7.254 -6.379 1.113 694 HB2 HIS 45 2HB HIS 45 5.864 -3.745 1.627 695 HB3 HIS 45 1HB HIS 45 5.758 -5.123 2.713 696 HD1 HIS 45 1HD HIS 45 8.307 -5.961 3.558 697 HD2 HIS 45 2HD HIS 45 7.813 -2.051 2.266 698 HE1 HIS 45 1HE HIS 45 10.241 -4.651 4.513 699 H MET 46 H MET 46 5.799 -7.973 1.023 700 HA MET 46 HA MET 46 3.478 -7.590 -0.674 701 HB2 MET 46 2HB MET 46 4.740 -9.957 0.660 702 HB3 MET 46 1HB MET 46 3.055 -10.050 0.170 703 HG2 MET 46 2HG MET 46 3.761 -9.429 -2.131 704 HG3 MET 46 1HG MET 46 5.435 -9.547 -1.592 705 HE1 MET 46 1HE MET 46 2.131 -11.607 -1.045 706 HE2 MET 46 2HE MET 46 2.465 -13.045 -2.010 707 HE3 MET 46 3HE MET 46 2.278 -11.478 -2.798 708 H TYR 47 H TYR 47 1.378 -7.722 0.023 709 HA TYR 47 HA TYR 47 0.740 -6.495 2.425 710 HB2 TYR 47 2HB TYR 47 -0.975 -8.307 0.716 711 HB3 TYR 47 1HB TYR 47 -1.587 -7.256 1.988 712 HD1 TYR 47 1HD TYR 47 -1.846 -7.435 -1.260 713 HD2 TYR 47 2HD TYR 47 -0.023 -4.806 1.541 714 HE1 TYR 47 1HE TYR 47 -2.008 -5.596 -2.882 715 HE2 TYR 47 2HE TYR 47 -0.183 -2.961 -0.072 716 HH TYR 47 HH TYR 47 -1.302 -3.509 -3.369 717 H ALA 48 H ALA 48 1.099 -9.878 1.667 718 HA ALA 48 HA ALA 48 -0.097 -10.923 4.003 719 HB1 ALA 48 1HB ALA 48 1.919 -12.215 2.180 720 HB2 ALA 48 2HB ALA 48 0.173 -12.194 1.931 721 HB3 ALA 48 3HB ALA 48 0.855 -13.037 3.322 722 H ASP 49 H ASP 49 3.018 -9.493 3.522 723 HA ASP 49 HA ASP 49 4.117 -10.872 5.868 724 HB2 ASP 49 2HB ASP 49 5.681 -8.764 4.454 725 HB3 ASP 49 1HB ASP 49 6.236 -10.248 5.208 726 H ILE 50 H ILE 50 2.354 -8.138 5.202 727 HA ILE 50 HA ILE 50 3.638 -6.475 7.236 728 HB ILE 50 HB ILE 50 1.253 -5.850 5.487 729 HG12 ILE 50 2HG1 ILE 50 4.125 -4.971 5.133 730 HG13 ILE 50 1HG1 ILE 50 3.402 -6.314 4.256 731 HG21 ILE 50 1HG2 ILE 50 1.358 -4.498 7.512 732 HG22 ILE 50 2HG2 ILE 50 1.717 -3.526 6.085 733 HG23 ILE 50 3HG2 ILE 50 3.025 -4.058 7.142 734 HD11 ILE 50 1HD1 ILE 50 2.524 -3.441 4.135 735 HD12 ILE 50 2HD1 ILE 50 1.775 -4.782 3.268 736 HD13 ILE 50 3HD1 ILE 50 3.435 -4.313 2.902 737 H LYS 51 H LYS 51 2.824 -6.218 9.271 738 HA LYS 51 HA LYS 51 0.633 -7.875 10.138 739 HB2 LYS 51 2HB LYS 51 2.403 -7.629 11.712 740 HB3 LYS 51 1HB LYS 51 2.414 -5.880 11.545 741 HG2 LYS 51 2HG LYS 51 0.177 -5.807 12.614 742 HG3 LYS 51 1HG LYS 51 0.282 -7.549 12.869 743 HD2 LYS 51 2HD LYS 51 1.172 -6.998 14.856 744 HD3 LYS 51 1HD LYS 51 2.644 -6.695 13.933 745 HE2 LYS 51 2HE LYS 51 2.260 -4.795 15.329 746 HE3 LYS 51 1HE LYS 51 1.899 -4.321 13.672 747 HZ1 LYS 51 1HZ LYS 51 -0.488 -4.783 14.219 748 HZ2 LYS 51 2HZ LYS 51 0.178 -3.448 15.020 749 HZ3 LYS 51 3HZ LYS 51 -0.033 -4.916 15.842 750 H CYS 52 H CYS 52 1.247 -4.433 9.810 751 HA CYS 52 HA CYS 52 -1.454 -3.801 9.193 752 HB2 CYS 52 2HB CYS 52 -1.859 -2.326 11.160 753 HB3 CYS 52 1HB CYS 52 -1.797 -4.031 11.592 754 HG CYS 52 HG CYS 52 -0.507 -2.153 13.454 755 H GLN 53 H GLN 53 -1.563 -1.143 9.529 756 HA GLN 53 HA GLN 53 1.046 -0.186 8.580 757 HB2 GLN 53 2HB GLN 53 -0.452 1.296 7.056 758 HB3 GLN 53 1HB GLN 53 -0.201 -0.374 6.596 759 HG2 GLN 53 2HG GLN 53 -2.328 -0.984 7.085 760 HG3 GLN 53 1HG GLN 53 -2.520 0.256 8.322 761 HE21 GLN 53 1HE2 GLN 53 -4.414 -0.331 6.392 762 HE22 GLN 53 2HE2 GLN 53 -4.585 1.052 5.358 763 H LYS 54 H LYS 54 1.134 2.245 8.827 764 HA LYS 54 HA LYS 54 -0.742 3.338 10.807 765 HB2 LYS 54 2HB LYS 54 2.232 3.805 11.129 766 HB3 LYS 54 1HB LYS 54 0.942 4.164 12.253 767 HG2 LYS 54 2HG LYS 54 0.787 1.439 12.026 768 HG3 LYS 54 1HG LYS 54 2.525 1.754 11.944 769 HD2 LYS 54 2HD LYS 54 1.813 3.420 13.948 770 HD3 LYS 54 1HD LYS 54 0.629 2.131 14.168 771 HE2 LYS 54 2HE LYS 54 2.263 1.192 15.394 772 HE3 LYS 54 1HE LYS 54 2.867 0.675 13.822 773 HZ1 LYS 54 1HZ LYS 54 4.336 2.577 13.773 774 HZ2 LYS 54 2HZ LYS 54 4.596 1.696 15.195 775 HZ3 LYS 54 3HZ LYS 54 3.719 3.138 15.247 776 H ILE 55 H ILE 55 -0.504 5.701 10.896 777 HA ILE 55 HA ILE 55 0.785 6.802 8.460 778 HB ILE 55 HB ILE 55 -1.332 8.311 8.350 779 HG12 ILE 55 2HG1 ILE 55 -2.326 5.975 9.958 780 HG13 ILE 55 1HG1 ILE 55 -2.218 7.644 10.478 781 HG21 ILE 55 1HG2 ILE 55 -0.769 6.642 6.627 782 HG22 ILE 55 2HG2 ILE 55 -2.509 6.735 6.902 783 HG23 ILE 55 3HG2 ILE 55 -1.577 5.402 7.582 784 HD11 ILE 55 1HD1 ILE 55 -3.959 8.263 8.949 785 HD12 ILE 55 2HD1 ILE 55 -4.483 6.959 10.015 786 HD13 ILE 55 3HD1 ILE 55 -4.042 6.607 8.344 787 H SER 56 H SER 56 1.947 8.707 8.966 788 HA SER 56 HA SER 56 1.712 9.705 11.628 789 HB2 SER 56 2HB SER 56 2.910 11.783 10.470 790 HB3 SER 56 1HB SER 56 3.789 10.304 10.855 791 HG SER 56 HG SER 56 4.002 11.207 8.666 792 HA PRO 57 HA PRO 57 -2.353 11.205 11.061 793 HB2 PRO 57 2HB PRO 57 -2.326 12.621 13.439 794 HB3 PRO 57 1HB PRO 57 -2.676 10.897 13.268 795 HG2 PRO 57 2HG PRO 57 -0.105 12.243 13.996 796 HG3 PRO 57 1HG PRO 57 -0.854 10.798 14.703 797 HD2 PRO 57 2HD PRO 57 1.147 10.571 12.995 798 HD3 PRO 57 1HD PRO 57 -0.234 9.457 12.920 799 H GLU 58 H GLU 58 -3.544 13.251 11.164 800 HA GLU 58 HA GLU 58 -2.353 15.376 9.784 801 HB2 GLU 58 2HB GLU 58 -4.939 14.955 11.218 802 HB3 GLU 58 1HB GLU 58 -4.479 16.607 10.839 803 HG2 GLU 58 2HG GLU 58 -5.965 15.354 9.185 804 HG3 GLU 58 1HG GLU 58 -4.586 16.248 8.550 805 H GLY 59 H GLY 59 -1.445 17.274 10.469 806 HA2 GLY 59 2HA GLY 59 -1.167 18.953 12.232 807 HA3 GLY 59 1HA GLY 59 -1.163 17.625 13.388 808 H LYS 60 H LYS 60 0.460 15.894 11.737 809 HA LYS 60 HA LYS 60 3.050 16.790 12.531 810 HB2 LYS 60 2HB LYS 60 2.012 14.457 10.936 811 HB3 LYS 60 1HB LYS 60 3.735 14.800 10.958 812 HG2 LYS 60 2HG LYS 60 2.324 14.612 13.561 813 HG3 LYS 60 1HG LYS 60 2.613 13.124 12.660 814 HD2 LYS 60 2HD LYS 60 4.943 14.893 12.822 815 HD3 LYS 60 1HD LYS 60 4.382 14.301 14.385 816 HE2 LYS 60 2HE LYS 60 6.060 12.797 13.489 817 HE3 LYS 60 1HE LYS 60 4.493 11.994 13.542 818 HZ1 LYS 60 1HZ LYS 60 4.307 12.730 11.115 819 HZ2 LYS 60 2HZ LYS 60 5.341 11.446 11.481 820 HZ3 LYS 60 3HZ LYS 60 5.982 12.985 11.188 821 H ALA 61 H ALA 61 4.696 17.647 11.239 822 HA ALA 61 HA ALA 61 3.891 19.190 9.007 823 HB1 ALA 61 1HB ALA 61 5.755 19.846 10.458 824 HB2 ALA 61 2HB ALA 61 6.258 19.753 8.770 825 HB3 ALA 61 3HB ALA 61 6.686 18.460 9.891 826 H LYS 62 H LYS 62 4.737 15.949 9.335 827 HA LYS 62 HA LYS 62 5.046 15.687 6.429 828 HB2 LYS 62 2HB LYS 62 6.377 14.056 8.593 829 HB3 LYS 62 1HB LYS 62 6.429 13.670 6.880 830 HG2 LYS 62 2HG LYS 62 7.478 15.953 6.549 831 HG3 LYS 62 1HG LYS 62 7.674 15.996 8.303 832 HD2 LYS 62 2HD LYS 62 8.903 13.849 8.172 833 HD3 LYS 62 1HD LYS 62 8.787 13.928 6.413 834 HE2 LYS 62 2HE LYS 62 10.916 14.762 6.948 835 HE3 LYS 62 1HE LYS 62 9.928 16.174 6.573 836 HZ1 LYS 62 1HZ LYS 62 10.260 16.986 8.601 837 HZ2 LYS 62 2HZ LYS 62 11.410 15.767 8.848 838 HZ3 LYS 62 3HZ LYS 62 9.810 15.525 9.352 839 H ILE 63 H ILE 63 3.154 14.937 5.741 840 HA ILE 63 HA ILE 63 1.537 13.110 7.295 841 HB ILE 63 HB ILE 63 1.224 14.053 4.431 842 HG12 ILE 63 2HG1 ILE 63 -0.465 15.076 6.665 843 HG13 ILE 63 1HG1 ILE 63 1.177 15.697 6.525 844 HG21 ILE 63 1HG2 ILE 63 -0.012 12.009 4.866 845 HG22 ILE 63 2HG2 ILE 63 -1.117 13.370 4.683 846 HG23 ILE 63 3HG2 ILE 63 -0.752 12.741 6.290 847 HD11 ILE 63 1HD1 ILE 63 -0.453 17.126 5.406 848 HD12 ILE 63 2HD1 ILE 63 -0.912 15.779 4.363 849 HD13 ILE 63 3HD1 ILE 63 0.716 16.452 4.270 850 H GLN 64 H GLN 64 2.206 10.981 7.414 851 HA GLN 64 HA GLN 64 3.268 9.830 4.891 852 HB2 GLN 64 2HB GLN 64 4.616 9.276 7.514 853 HB3 GLN 64 1HB GLN 64 5.205 8.920 5.902 854 HG2 GLN 64 2HG GLN 64 6.072 10.980 5.628 855 HG3 GLN 64 1HG GLN 64 4.769 11.767 6.523 856 HE21 GLN 64 1HE2 GLN 64 7.846 10.168 6.755 857 HE22 GLN 64 2HE2 GLN 64 8.167 10.587 8.401 858 H LEU 65 H LEU 65 3.672 7.482 5.035 859 HA LEU 65 HA LEU 65 1.692 6.116 6.738 860 HB2 LEU 65 2HB LEU 65 1.219 6.097 4.247 861 HB3 LEU 65 1HB LEU 65 2.694 5.167 4.052 862 HG LEU 65 HG LEU 65 1.492 3.636 5.886 863 HD11 LEU 65 1HD1 LEU 65 -0.483 4.969 6.106 864 HD12 LEU 65 2HD1 LEU 65 -0.893 3.436 5.336 865 HD13 LEU 65 3HD1 LEU 65 -0.767 4.905 4.368 866 HD21 LEU 65 1HD2 LEU 65 2.333 2.861 3.760 867 HD22 LEU 65 2HD2 LEU 65 0.931 3.550 2.937 868 HD23 LEU 65 3HD2 LEU 65 0.724 2.213 4.069 869 H GLN 66 H GLN 66 2.371 4.212 7.726 870 HA GLN 66 HA GLN 66 5.218 3.510 7.455 871 HB2 GLN 66 2HB GLN 66 4.739 4.809 9.514 872 HB3 GLN 66 1HB GLN 66 3.586 3.579 9.997 873 HG2 GLN 66 2HG GLN 66 5.318 1.944 10.219 874 HG3 GLN 66 1HG GLN 66 6.512 3.054 9.547 875 HE21 GLN 66 1HE2 GLN 66 7.369 4.643 10.811 876 HE22 GLN 66 2HE2 GLN 66 7.117 4.736 12.525 877 H LEU 67 H LEU 67 5.510 1.424 6.948 878 HA LEU 67 HA LEU 67 3.254 -0.417 7.223 879 HB2 LEU 67 2HB LEU 67 5.871 -0.568 5.747 880 HB3 LEU 67 1HB LEU 67 4.819 -1.958 5.927 881 HG LEU 67 HG LEU 67 4.247 0.593 4.438 882 HD11 LEU 67 1HD1 LEU 67 4.012 -0.958 2.548 883 HD12 LEU 67 2HD1 LEU 67 4.444 -2.300 3.608 884 HD13 LEU 67 3HD1 LEU 67 5.621 -1.031 3.269 885 HD21 LEU 67 1HD2 LEU 67 2.052 -0.358 3.930 886 HD22 LEU 67 2HD2 LEU 67 2.240 -0.089 5.663 887 HD23 LEU 67 3HD2 LEU 67 2.386 -1.718 5.002 888 H VAL 68 H VAL 68 3.139 -1.475 9.126 889 HA VAL 68 HA VAL 68 5.635 -2.176 10.487 890 HB VAL 68 HB VAL 68 2.767 -2.307 11.442 891 HG11 VAL 68 1HG1 VAL 68 3.657 -3.011 13.601 892 HG12 VAL 68 2HG1 VAL 68 5.287 -3.055 12.930 893 HG13 VAL 68 3HG1 VAL 68 4.066 -4.187 12.352 894 HG21 VAL 68 1HG2 VAL 68 3.535 -0.616 13.045 895 HG22 VAL 68 2HG2 VAL 68 3.717 -0.076 11.375 896 HG23 VAL 68 3HG2 VAL 68 5.125 -0.631 12.281 897 H LEU 69 H LEU 69 6.505 -4.026 9.965 898 HA LEU 69 HA LEU 69 4.943 -6.062 8.685 899 HB2 LEU 69 2HB LEU 69 7.848 -6.105 9.447 900 HB3 LEU 69 1HB LEU 69 7.034 -7.258 8.404 901 HG LEU 69 HG LEU 69 7.987 -4.524 7.828 902 HD11 LEU 69 1HD1 LEU 69 8.483 -5.543 5.671 903 HD12 LEU 69 2HD1 LEU 69 7.682 -7.025 6.197 904 HD13 LEU 69 3HD1 LEU 69 9.150 -6.479 7.009 905 HD21 LEU 69 1HD2 LEU 69 5.532 -5.619 6.493 906 HD22 LEU 69 2HD2 LEU 69 6.463 -4.220 5.955 907 HD23 LEU 69 3HD2 LEU 69 5.624 -4.178 7.505 908 H HIS 70 H HIS 70 5.781 -8.431 9.445 909 HA HIS 70 HA HIS 70 4.386 -8.852 11.878 910 HB2 HIS 70 2HB HIS 70 5.918 -10.707 10.073 911 HB3 HIS 70 1HB HIS 70 5.100 -11.258 11.532 912 HD1 HIS 70 1HD HIS 70 2.548 -9.366 11.094 913 HD2 HIS 70 2HD HIS 70 4.212 -11.985 8.335 914 HE1 HIS 70 1HE HIS 70 0.720 -9.902 9.439 915 H ALA 71 H ALA 71 7.805 -8.462 11.227 916 HA ALA 71 HA ALA 71 8.434 -9.620 13.847 917 HB1 ALA 71 1HB ALA 71 10.789 -9.439 13.140 918 HB2 ALA 71 2HB ALA 71 10.254 -8.745 11.610 919 HB3 ALA 71 3HB ALA 71 9.814 -10.401 12.029 920 H GLY 72 H GLY 72 7.236 -6.842 13.082 921 HA2 GLY 72 2HA GLY 72 7.204 -4.901 14.398 922 HA3 GLY 72 1HA GLY 72 8.710 -5.419 15.149 923 H ASP 73 H ASP 73 8.450 -5.519 11.752 924 HA ASP 73 HA ASP 73 10.580 -3.592 11.435 925 HB2 ASP 73 2HB ASP 73 9.088 -4.838 9.151 926 HB3 ASP 73 1HB ASP 73 10.784 -4.416 9.249 927 H THR 74 H THR 74 10.355 -1.682 10.093 928 HA THR 74 HA THR 74 7.609 -0.915 9.472 929 HB THR 74 HB THR 74 8.059 1.376 10.521 930 HG1 THR 74 1HG THR 74 10.370 0.828 10.861 931 HG21 THR 74 1HG2 THR 74 7.400 0.653 12.782 932 HG22 THR 74 2HG2 THR 74 7.780 -1.012 12.344 933 HG23 THR 74 3HG2 THR 74 6.471 -0.160 11.522 934 H THR 75 H THR 75 7.464 0.129 7.627 935 HA THR 75 HA THR 75 9.885 1.358 6.486 936 HB THR 75 HB THR 75 7.587 0.563 4.753 937 HG1 THR 75 1HG THR 75 9.026 -1.537 4.681 938 HG21 THR 75 1HG2 THR 75 10.590 0.494 4.422 939 HG22 THR 75 2HG2 THR 75 9.502 1.731 3.790 940 HG23 THR 75 3HG2 THR 75 9.413 0.082 3.174 941 H ASN 76 H ASN 76 9.788 3.511 6.422 942 HA ASN 76 HA ASN 76 7.208 4.839 6.692 943 HB2 ASN 76 2HB ASN 76 10.021 5.576 7.250 944 HB3 ASN 76 1HB ASN 76 8.935 6.880 6.783 945 HD21 ASN 76 1HD2 ASN 76 9.187 7.759 8.840 946 HD22 ASN 76 2HD2 ASN 76 8.338 7.117 10.197 947 H PHE 77 H PHE 77 6.245 6.009 5.210 948 HA PHE 77 HA PHE 77 7.725 6.715 2.764 949 HB2 PHE 77 2HB PHE 77 4.863 5.744 2.955 950 HB3 PHE 77 1HB PHE 77 5.644 6.316 1.483 951 HD1 PHE 77 1HD PHE 77 8.025 5.096 1.081 952 HD2 PHE 77 2HD PHE 77 4.694 3.473 3.176 953 HE1 PHE 77 1HE PHE 77 8.857 2.825 0.637 954 HE2 PHE 77 2HE PHE 77 5.521 1.200 2.734 955 HZ PHE 77 HZ PHE 77 7.605 0.873 1.464 956 H HIS 78 H HIS 78 7.995 8.838 2.920 957 HA HIS 78 HA HIS 78 6.013 10.537 4.203 958 HB2 HIS 78 2HB HIS 78 8.325 10.960 4.714 959 HB3 HIS 78 1HB HIS 78 8.739 11.062 3.011 960 HD1 HIS 78 1HD HIS 78 9.774 13.447 3.536 961 HD2 HIS 78 2HD HIS 78 5.662 13.127 4.105 962 HE1 HIS 78 1HE HIS 78 8.879 15.811 3.663 963 H PHE 79 H PHE 79 4.365 11.326 3.090 964 HA PHE 79 HA PHE 79 4.437 11.448 0.201 965 HB2 PHE 79 2HB PHE 79 2.294 12.229 2.197 966 HB3 PHE 79 1HB PHE 79 2.091 12.271 0.450 967 HD1 PHE 79 1HD PHE 79 2.610 10.056 3.352 968 HD2 PHE 79 2HD PHE 79 1.635 10.305 -0.781 969 HE1 PHE 79 1HE PHE 79 1.902 7.701 3.382 970 HE2 PHE 79 2HE PHE 79 0.923 7.950 -0.757 971 HZ PHE 79 HZ PHE 79 1.050 6.648 1.326 972 H SER 80 H SER 80 6.143 12.950 0.023 973 HA SER 80 HA SER 80 5.934 15.587 1.109 974 HB2 SER 80 2HB SER 80 7.901 15.816 -0.697 975 HB3 SER 80 1HB SER 80 8.136 15.060 0.880 976 HG SER 80 HG SER 80 7.330 13.580 -1.398 977 H ASN 81 H ASN 81 4.174 14.257 -1.274 978 HA ASN 81 HA ASN 81 4.356 16.419 -3.192 979 HB2 ASN 81 2HB ASN 81 3.799 14.001 -3.780 980 HB3 ASN 81 1HB ASN 81 2.218 14.286 -3.058 981 HD21 ASN 81 1HD2 ASN 81 1.262 13.855 -5.059 982 HD22 ASN 81 2HD2 ASN 81 1.262 15.047 -6.323 983 H GLU 82 H GLU 82 3.833 18.238 -2.035 984 HA GLU 82 HA GLU 82 1.862 18.634 -0.174 985 HB2 GLU 82 2HB GLU 82 2.064 20.987 -0.601 986 HB3 GLU 82 1HB GLU 82 3.647 20.247 -0.761 987 HG2 GLU 82 2HG GLU 82 1.838 21.154 -2.992 988 HG3 GLU 82 1HG GLU 82 3.346 21.902 -2.474 989 H SER 83 H SER 83 1.481 18.684 -3.672 990 HA SER 83 HA SER 83 -1.035 19.848 -3.844 991 HB2 SER 83 2HB SER 83 0.094 17.669 -5.613 992 HB3 SER 83 1HB SER 83 -1.190 18.800 -6.038 993 HG SER 83 HG SER 83 1.467 19.560 -5.332 994 H THR 84 H THR 84 -0.238 16.385 -3.483 995 HA THR 84 HA THR 84 -3.017 15.958 -2.612 996 HB THR 84 HB THR 84 -2.532 13.585 -3.757 997 HG1 THR 84 1HG THR 84 -0.621 13.897 -4.727 998 HG21 THR 84 1HG2 THR 84 -3.750 14.394 -5.750 999 HG22 THR 84 2HG2 THR 84 -3.488 16.054 -5.213 1000 HG23 THR 84 3HG2 THR 84 -4.476 14.959 -4.246 1001 H ALA 85 H ALA 85 -0.686 16.291 -0.929 1002 HA ALA 85 HA ALA 85 0.577 13.958 -0.135 1003 HB1 ALA 85 1HB ALA 85 -0.207 16.239 1.669 1004 HB2 ALA 85 2HB ALA 85 1.206 16.218 0.614 1005 HB3 ALA 85 3HB ALA 85 1.082 15.067 1.945 1006 H VAL 86 H VAL 86 -2.040 15.452 1.739 1007 HA VAL 86 HA VAL 86 -2.618 13.241 3.327 1008 HB VAL 86 HB VAL 86 -4.447 15.474 2.432 1009 HG11 VAL 86 1HG1 VAL 86 -5.784 14.961 4.420 1010 HG12 VAL 86 2HG1 VAL 86 -4.736 13.586 4.772 1011 HG13 VAL 86 3HG1 VAL 86 -5.733 13.586 3.316 1012 HG21 VAL 86 1HG2 VAL 86 -3.870 16.568 4.490 1013 HG22 VAL 86 2HG2 VAL 86 -2.400 16.200 3.588 1014 HG23 VAL 86 3HG2 VAL 86 -2.859 15.205 4.969 1015 H LYS 87 H LYS 87 -3.921 14.227 0.216 1016 HA LYS 87 HA LYS 87 -6.023 12.381 0.033 1017 HB2 LYS 87 2HB LYS 87 -4.454 13.641 -2.222 1018 HB3 LYS 87 1HB LYS 87 -6.068 12.947 -2.332 1019 HG2 LYS 87 2HG LYS 87 -7.047 14.700 -1.178 1020 HG3 LYS 87 1HG LYS 87 -5.528 15.183 -0.421 1021 HD2 LYS 87 2HD LYS 87 -4.752 15.763 -2.794 1022 HD3 LYS 87 1HD LYS 87 -6.456 15.651 -3.239 1023 HE2 LYS 87 2HE LYS 87 -7.048 17.423 -1.777 1024 HE3 LYS 87 1HE LYS 87 -5.471 17.390 -0.989 1025 HZ1 LYS 87 1HZ LYS 87 -5.932 18.153 -3.824 1026 HZ2 LYS 87 2HZ LYS 87 -4.450 18.206 -3.002 1027 HZ3 LYS 87 3HZ LYS 87 -5.709 19.246 -2.552 1028 H GLU 88 H GLU 88 -2.707 12.201 -1.320 1029 HA GLU 88 HA GLU 88 -3.076 9.591 -2.385 1030 HB2 GLU 88 2HB GLU 88 -0.566 11.156 -1.747 1031 HB3 GLU 88 1HB GLU 88 -0.557 9.587 -2.539 1032 HG2 GLU 88 2HG GLU 88 -1.774 10.475 -4.414 1033 HG3 GLU 88 1HG GLU 88 -1.961 12.026 -3.601 1034 H ARG 89 H ARG 89 -1.843 10.852 0.665 1035 HA ARG 89 HA ARG 89 -0.808 8.471 1.716 1036 HB2 ARG 89 2HB ARG 89 -0.400 10.635 2.776 1037 HB3 ARG 89 1HB ARG 89 -2.108 10.789 3.167 1038 HG2 ARG 89 2HG ARG 89 -0.849 8.343 4.180 1039 HG3 ARG 89 1HG ARG 89 -0.197 9.840 4.851 1040 HD2 ARG 89 2HD ARG 89 -3.045 10.023 4.781 1041 HD3 ARG 89 1HD ARG 89 -2.592 8.498 5.541 1042 HE ARG 89 HE ARG 89 -1.040 10.042 6.914 1043 HH11 ARG 89 1HH1 ARG 89 -4.310 10.799 5.849 1044 HH12 ARG 89 2HH1 ARG 89 -4.553 11.976 7.113 1045 HH21 ARG 89 1HH2 ARG 89 -1.414 11.575 8.576 1046 HH22 ARG 89 2HH2 ARG 89 -2.951 12.398 8.640 1047 H ASP 90 H ASP 90 -4.032 9.893 1.974 1048 HA ASP 90 HA ASP 90 -5.106 7.766 3.504 1049 HB2 ASP 90 2HB ASP 90 -6.200 10.157 2.135 1050 HB3 ASP 90 1HB ASP 90 -7.328 8.845 2.479 1051 H ALA 91 H ALA 91 -4.807 8.339 0.057 1052 HA ALA 91 HA ALA 91 -6.606 6.371 -0.820 1053 HB1 ALA 91 1HB ALA 91 -5.672 8.023 -2.347 1054 HB2 ALA 91 2HB ALA 91 -5.311 6.393 -2.918 1055 HB3 ALA 91 3HB ALA 91 -4.059 7.346 -2.121 1056 H VAL 92 H VAL 92 -3.165 6.259 0.002 1057 HA VAL 92 HA VAL 92 -2.870 3.464 -0.522 1058 HB VAL 92 HB VAL 92 -1.159 5.233 1.244 1059 HG11 VAL 92 1HG1 VAL 92 -0.637 2.555 -0.034 1060 HG12 VAL 92 2HG1 VAL 92 -0.706 2.928 1.690 1061 HG13 VAL 92 3HG1 VAL 92 0.610 3.564 0.700 1062 HG21 VAL 92 1HG2 VAL 92 -0.885 4.588 -1.687 1063 HG22 VAL 92 2HG2 VAL 92 0.304 5.455 -0.714 1064 HG23 VAL 92 3HG2 VAL 92 -1.290 6.158 -0.990 1065 H LYS 93 H LYS 93 -3.620 5.429 2.268 1066 HA LYS 93 HA LYS 93 -3.333 3.513 4.293 1067 HB2 LYS 93 2HB LYS 93 -3.519 5.952 4.656 1068 HB3 LYS 93 1HB LYS 93 -5.202 5.889 4.154 1069 HG2 LYS 93 2HG LYS 93 -4.710 4.006 6.267 1070 HG3 LYS 93 1HG LYS 93 -4.183 5.625 6.731 1071 HD2 LYS 93 2HD LYS 93 -6.903 4.949 5.610 1072 HD3 LYS 93 1HD LYS 93 -6.541 5.164 7.324 1073 HE2 LYS 93 2HE LYS 93 -6.276 7.419 7.131 1074 HE3 LYS 93 1HE LYS 93 -5.754 7.323 5.451 1075 HZ1 LYS 93 1HZ LYS 93 -8.158 6.640 4.973 1076 HZ2 LYS 93 2HZ LYS 93 -7.863 8.276 5.347 1077 HZ3 LYS 93 3HZ LYS 93 -8.506 7.239 6.521 1078 H ASP 94 H ASP 94 -6.255 4.633 2.615 1079 HA ASP 94 HA ASP 94 -7.971 2.733 3.821 1080 HB2 ASP 94 2HB ASP 94 -8.163 4.731 1.633 1081 HB3 ASP 94 1HB ASP 94 -9.360 3.441 1.647 1082 H LEU 95 H LEU 95 -6.164 2.758 0.818 1083 HA LEU 95 HA LEU 95 -7.386 0.392 -0.231 1084 HB2 LEU 95 2HB LEU 95 -5.232 2.211 -1.027 1085 HB3 LEU 95 1HB LEU 95 -4.907 0.539 -1.437 1086 HG LEU 95 HG LEU 95 -5.952 1.695 -3.305 1087 HD11 LEU 95 1HD1 LEU 95 -7.801 -0.297 -2.003 1088 HD12 LEU 95 2HD1 LEU 95 -6.420 -0.673 -3.034 1089 HD13 LEU 95 3HD1 LEU 95 -7.819 0.166 -3.705 1090 HD21 LEU 95 1HD2 LEU 95 -7.179 3.400 -2.086 1091 HD22 LEU 95 2HD2 LEU 95 -8.253 2.174 -1.413 1092 HD23 LEU 95 3HD2 LEU 95 -8.265 2.502 -3.146 1093 H LEU 96 H LEU 96 -4.757 1.045 1.960 1094 HA LEU 96 HA LEU 96 -3.633 -1.558 1.764 1095 HB2 LEU 96 2HB LEU 96 -3.286 0.751 3.572 1096 HB3 LEU 96 1HB LEU 96 -2.811 -0.825 4.184 1097 HG LEU 96 HG LEU 96 -1.771 0.536 1.702 1098 HD11 LEU 96 1HD1 LEU 96 -0.431 -0.206 4.292 1099 HD12 LEU 96 2HD1 LEU 96 -0.878 1.424 3.782 1100 HD13 LEU 96 3HD1 LEU 96 0.354 0.525 2.893 1101 HD21 LEU 96 1HD2 LEU 96 -0.255 -1.379 1.497 1102 HD22 LEU 96 2HD2 LEU 96 -1.945 -1.847 1.304 1103 HD23 LEU 96 3HD2 LEU 96 -1.105 -2.180 2.818 1104 H GLN 97 H GLN 97 -5.731 -0.045 4.321 1105 HA GLN 97 HA GLN 97 -6.258 -2.378 5.720 1106 HB2 GLN 97 2HB GLN 97 -8.647 -1.215 5.970 1107 HB3 GLN 97 1HB GLN 97 -7.220 -0.599 6.801 1108 HG2 GLN 97 2HG GLN 97 -6.981 0.820 4.627 1109 HG3 GLN 97 1HG GLN 97 -8.698 0.466 4.465 1110 HE21 GLN 97 1HE2 GLN 97 -7.139 0.794 7.541 1111 HE22 GLN 97 2HE2 GLN 97 -7.874 2.300 7.968 1112 H GLN 98 H GLN 98 -7.165 -1.504 2.576 1113 HA GLN 98 HA GLN 98 -9.346 -3.356 2.304 1114 HB2 GLN 98 2HB GLN 98 -7.935 -1.374 0.616 1115 HB3 GLN 98 1HB GLN 98 -8.746 -2.691 -0.221 1116 HG2 GLN 98 2HG GLN 98 -10.085 -0.992 1.845 1117 HG3 GLN 98 1HG GLN 98 -10.101 -0.623 0.116 1118 HE21 GLN 98 1HE2 GLN 98 -10.977 -2.984 2.526 1119 HE22 GLN 98 2HE2 GLN 98 -12.248 -3.719 1.608 1120 H LEU 99 H LEU 99 -6.119 -3.120 0.803 1121 HA LEU 99 HA LEU 99 -6.341 -5.788 -0.250 1122 HB2 LEU 99 2HB LEU 99 -4.055 -3.835 -0.323 1123 HB3 LEU 99 1HB LEU 99 -4.149 -5.331 -1.237 1124 HG LEU 99 HG LEU 99 -6.322 -3.318 -1.556 1125 HD11 LEU 99 1HD1 LEU 99 -3.662 -3.170 -2.970 1126 HD12 LEU 99 2HD1 LEU 99 -4.228 -2.038 -1.743 1127 HD13 LEU 99 3HD1 LEU 99 -5.076 -2.162 -3.285 1128 HD21 LEU 99 1HD2 LEU 99 -4.989 -5.275 -3.416 1129 HD22 LEU 99 2HD2 LEU 99 -6.346 -4.226 -3.829 1130 HD23 LEU 99 3HD2 LEU 99 -6.544 -5.489 -2.613 1131 H LEU 100 H LEU 100 -4.591 -4.265 2.409 1132 HA LEU 100 HA LEU 100 -2.623 -6.129 2.865 1133 HB2 LEU 100 2HB LEU 100 -4.066 -4.225 4.625 1134 HB3 LEU 100 1HB LEU 100 -3.092 -5.463 5.395 1135 HG LEU 100 HG LEU 100 -2.062 -3.513 3.335 1136 HD11 LEU 100 1HD1 LEU 100 -1.725 -3.490 6.339 1137 HD12 LEU 100 2HD1 LEU 100 -2.639 -2.323 5.384 1138 HD13 LEU 100 3HD1 LEU 100 -0.888 -2.429 5.205 1139 HD21 LEU 100 1HD2 LEU 100 0.129 -4.343 4.003 1140 HD22 LEU 100 2HD2 LEU 100 -0.883 -5.641 3.368 1141 HD23 LEU 100 3HD2 LEU 100 -0.636 -5.485 5.107 1142 HA PRO 101 HA PRO 101 -5.291 -8.872 5.685 1143 HB2 PRO 101 2HB PRO 101 -7.935 -8.430 5.991 1144 HB3 PRO 101 1HB PRO 101 -6.721 -7.607 6.980 1145 HG2 PRO 101 2HG PRO 101 -8.187 -6.612 4.566 1146 HG3 PRO 101 1HG PRO 101 -7.855 -5.776 6.094 1147 HD2 PRO 101 2HD PRO 101 -6.386 -5.379 3.843 1148 HD3 PRO 101 1HD PRO 101 -5.705 -5.237 5.476 1149 H LYS 102 H LYS 102 -6.735 -7.669 2.748 1150 HA LYS 102 HA LYS 102 -8.395 -9.831 2.081 1151 HB2 LYS 102 2HB LYS 102 -8.259 -7.549 0.953 1152 HB3 LYS 102 1HB LYS 102 -6.847 -8.155 0.100 1153 HG2 LYS 102 2HG LYS 102 -8.340 -8.724 -1.468 1154 HG3 LYS 102 1HG LYS 102 -8.628 -10.121 -0.428 1155 HD2 LYS 102 2HD LYS 102 -10.766 -9.249 -0.912 1156 HD3 LYS 102 1HD LYS 102 -10.399 -8.706 0.726 1157 HE2 LYS 102 2HE LYS 102 -9.549 -6.561 -0.331 1158 HE3 LYS 102 1HE LYS 102 -10.294 -7.119 -1.828 1159 HZ1 LYS 102 1HZ LYS 102 -11.575 -6.231 0.663 1160 HZ2 LYS 102 2HZ LYS 102 -12.366 -7.392 -0.268 1161 HZ3 LYS 102 3HZ LYS 102 -12.002 -5.883 -0.945 1162 H PHE 103 H PHE 103 -4.987 -9.214 1.530 1163 HA PHE 103 HA PHE 103 -4.664 -11.840 0.274 1164 HB2 PHE 103 2HB PHE 103 -2.814 -9.455 0.463 1165 HB3 PHE 103 1HB PHE 103 -2.398 -10.969 -0.333 1166 HD1 PHE 103 1HD PHE 103 -3.543 -11.634 -2.407 1167 HD2 PHE 103 2HD PHE 103 -4.318 -7.903 -0.521 1168 HE1 PHE 103 1HE PHE 103 -4.664 -10.831 -4.449 1169 HE2 PHE 103 2HE PHE 103 -5.435 -7.093 -2.555 1170 HZ PHE 103 HZ PHE 103 -5.602 -8.558 -4.525 1171 H LYS 104 H LYS 104 -5.023 -11.142 3.207 1172 HA LYS 104 HA LYS 104 -2.692 -12.646 4.191 1173 HB2 LYS 104 2HB LYS 104 -4.092 -10.275 5.391 1174 HB3 LYS 104 1HB LYS 104 -3.227 -11.419 6.408 1175 HG2 LYS 104 2HG LYS 104 -1.225 -10.999 4.915 1176 HG3 LYS 104 1HG LYS 104 -2.133 -9.627 4.274 1177 HD2 LYS 104 2HD LYS 104 -1.526 -10.062 7.190 1178 HD3 LYS 104 1HD LYS 104 -0.578 -9.034 6.117 1179 HE2 LYS 104 2HE LYS 104 -2.417 -7.558 5.791 1180 HE3 LYS 104 1HE LYS 104 -3.522 -8.664 6.608 1181 HZ1 LYS 104 1HZ LYS 104 -2.791 -6.759 7.988 1182 HZ2 LYS 104 2HZ LYS 104 -1.206 -7.365 7.922 1183 HZ3 LYS 104 3HZ LYS 104 -2.426 -8.277 8.667 1184 H ARG 105 H ARG 105 -3.357 -13.286 6.627 1185 HA ARG 105 HA ARG 105 -5.385 -15.255 6.334 1186 HB2 ARG 105 2HB ARG 105 -4.064 -14.278 8.879 1187 HB3 ARG 105 1HB ARG 105 -4.907 -15.806 8.656 1188 HG2 ARG 105 2HG ARG 105 -3.069 -16.792 7.904 1189 HG3 ARG 105 1HG ARG 105 -2.801 -15.516 6.715 1190 HD2 ARG 105 2HD ARG 105 -1.915 -15.557 9.595 1191 HD3 ARG 105 1HD ARG 105 -0.894 -15.609 8.160 1192 HE ARG 105 HE ARG 105 -2.495 -13.255 8.990 1193 HH11 ARG 105 1HH1 ARG 105 0.351 -14.641 7.447 1194 HH12 ARG 105 2HH1 ARG 105 1.087 -13.099 7.153 1195 HH21 ARG 105 1HH2 ARG 105 -1.527 -11.255 8.613 1196 HH22 ARG 105 2HH2 ARG 105 0.029 -11.181 7.823 1197 H LYS 106 H LYS 106 -7.422 -15.332 7.406 1198 HA LYS 106 HA LYS 106 -8.660 -12.745 7.585 1199 HB2 LYS 106 2HB LYS 106 -9.839 -15.493 8.021 1200 HB3 LYS 106 1HB LYS 106 -10.754 -13.997 7.887 1201 HG2 LYS 106 2HG LYS 106 -9.178 -15.411 5.755 1202 HG3 LYS 106 1HG LYS 106 -10.899 -15.020 5.775 1203 HD2 LYS 106 2HD LYS 106 -10.537 -12.800 5.256 1204 HD3 LYS 106 1HD LYS 106 -8.900 -12.804 5.913 1205 HE2 LYS 106 2HE LYS 106 -8.285 -14.344 3.994 1206 HE3 LYS 106 1HE LYS 106 -9.859 -13.956 3.302 1207 HZ1 LYS 106 1HZ LYS 106 -8.160 -12.527 2.383 1208 HZ2 LYS 106 2HZ LYS 106 -7.697 -12.014 3.926 1209 HZ3 LYS 106 3HZ LYS 106 -9.229 -11.602 3.324 1210 H ALA 107 H ALA 107 -7.158 -12.221 9.357 1211 HA ALA 107 HA ALA 107 -8.526 -12.039 11.798 1212 HB1 ALA 107 1HB ALA 107 -6.103 -13.823 11.835 1213 HB2 ALA 107 2HB ALA 107 -7.763 -14.347 12.116 1214 HB3 ALA 107 3HB ALA 107 -6.980 -13.253 13.256 1215 H ASN 108 H ASN 108 -5.526 -12.076 10.217 1216 HA ASN 108 HA ASN 108 -4.950 -9.364 10.311 1217 HB2 ASN 108 2HB ASN 108 -4.620 -9.884 12.785 1218 HB3 ASN 108 1HB ASN 108 -3.258 -10.892 12.305 1219 HD21 ASN 108 1HD2 ASN 108 -4.229 -7.864 10.820 1220 HD22 ASN 108 2HD2 ASN 108 -2.800 -6.984 11.238 Start of MODEL 8 1 H ARG 390 2HT ARG 390 29.610 22.571 11.314 2 HA ARG 390 HA ARG 390 31.711 21.169 11.052 3 HB2 ARG 390 2HB ARG 390 30.330 20.799 8.381 4 HB3 ARG 390 1HB ARG 390 32.036 20.479 8.664 5 HG2 ARG 390 2HG ARG 390 31.594 18.636 10.013 6 HG3 ARG 390 1HG ARG 390 29.925 19.129 10.303 7 HD2 ARG 390 2HD ARG 390 31.011 18.247 7.632 8 HD3 ARG 390 1HD ARG 390 30.155 17.195 8.756 9 HE ARG 390 HE ARG 390 28.648 19.549 8.130 10 HH11 ARG 390 1HH1 ARG 390 29.519 16.357 6.961 11 HH12 ARG 390 2HH1 ARG 390 28.108 16.191 5.972 12 HH21 ARG 390 1HH2 ARG 390 26.790 19.347 6.827 13 HH22 ARG 390 2HH2 ARG 390 26.547 17.895 5.895 14 H ARG 391 H ARG 391 32.961 22.011 8.629 15 HA ARG 391 HA ARG 391 33.343 24.755 9.200 16 HB2 ARG 391 2HB ARG 391 35.132 23.410 8.245 17 HB3 ARG 391 1HB ARG 391 34.179 23.112 6.800 18 HG2 ARG 391 2HG ARG 391 35.957 24.800 6.487 19 HG3 ARG 391 1HG ARG 391 34.339 25.414 6.145 20 HD2 ARG 391 2HD ARG 391 34.287 26.387 8.431 21 HD3 ARG 391 1HD ARG 391 35.959 25.871 8.648 22 HE ARG 391 HE ARG 391 36.653 27.521 7.158 23 HH11 ARG 391 1HH1 ARG 391 33.155 27.454 7.408 24 HH12 ARG 391 2HH1 ARG 391 32.951 29.030 6.712 25 HH21 ARG 391 1HH2 ARG 391 36.379 29.599 6.230 26 HH22 ARG 391 2HH2 ARG 391 34.785 30.247 6.036 27 H ARG 392 H ARG 392 31.329 23.030 6.955 28 HA ARG 392 HA ARG 392 30.579 25.351 5.430 29 HB2 ARG 392 2HB ARG 392 30.605 23.031 4.489 30 HB3 ARG 392 1HB ARG 392 29.269 22.624 5.557 31 HG2 ARG 392 2HG ARG 392 28.152 24.702 4.373 32 HG3 ARG 392 1HG ARG 392 29.300 24.286 3.099 33 HD2 ARG 392 2HD ARG 392 27.243 23.148 2.653 34 HD3 ARG 392 1HD ARG 392 28.432 21.954 3.170 35 HE ARG 392 HE ARG 392 27.314 21.828 5.287 36 HH11 ARG 392 1HH1 ARG 392 25.613 23.663 2.843 37 HH12 ARG 392 2HH1 ARG 392 24.074 23.544 3.633 38 HH21 ARG 392 1HH2 ARG 392 25.311 21.630 6.325 39 HH22 ARG 392 2HH2 ARG 392 23.900 22.369 5.621 40 H THR 393 H THR 393 28.536 26.378 5.502 41 HA THR 393 HA THR 393 27.425 26.756 8.056 42 HB THR 393 HB THR 393 25.786 27.418 5.667 43 HG1 THR 393 1HG THR 393 27.437 29.300 5.532 44 HG21 THR 393 1HG2 THR 393 25.563 29.551 6.829 45 HG22 THR 393 2HG2 THR 393 26.762 29.047 8.019 46 HG23 THR 393 3HG2 THR 393 25.208 28.217 7.926 47 H GLU 394 H GLU 394 26.797 24.740 8.856 48 HA GLU 394 HA GLU 394 25.188 22.856 7.602 49 HB2 GLU 394 2HB GLU 394 26.307 23.249 10.173 50 HB3 GLU 394 1HB GLU 394 24.600 22.890 10.400 51 HG2 GLU 394 2HG GLU 394 26.005 20.883 10.460 52 HG3 GLU 394 1HG GLU 394 24.820 20.839 9.157 53 H ALA 395 H ALA 395 24.321 25.823 9.197 54 HA ALA 395 HA ALA 395 21.604 25.366 9.670 55 HB1 ALA 395 1HB ALA 395 22.752 27.284 10.593 56 HB2 ALA 395 2HB ALA 395 21.380 27.823 9.623 57 HB3 ALA 395 3HB ALA 395 23.017 27.939 8.977 58 H LEU 396 H LEU 396 23.333 26.134 6.744 59 HA LEU 396 HA LEU 396 20.835 26.510 5.267 60 HB2 LEU 396 2HB LEU 396 22.846 28.052 4.986 61 HB3 LEU 396 1HB LEU 396 23.649 26.708 4.198 62 HG LEU 396 HG LEU 396 21.780 26.674 2.520 63 HD11 LEU 396 1HD1 LEU 396 20.395 28.692 2.334 64 HD12 LEU 396 2HD1 LEU 396 21.054 29.276 3.863 65 HD13 LEU 396 3HD1 LEU 396 20.079 27.806 3.826 66 HD21 LEU 396 1HD2 LEU 396 23.382 29.222 2.742 67 HD22 LEU 396 2HD2 LEU 396 22.611 28.612 1.277 68 HD23 LEU 396 3HD2 LEU 396 23.928 27.706 2.022 69 H GLY 397 H GLY 397 20.631 24.112 5.999 70 HA2 GLY 397 2HA GLY 397 21.814 22.421 3.885 71 HA3 GLY 397 1HA GLY 397 21.493 21.845 5.515 72 H ASP 398 H ASP 398 19.492 23.759 3.279 73 HA ASP 398 HA ASP 398 17.206 22.151 3.900 74 HB2 ASP 398 2HB ASP 398 16.937 24.542 3.413 75 HB3 ASP 398 1HB ASP 398 17.533 24.280 1.775 76 H ALA 399 H ALA 399 17.251 20.152 3.228 77 HA ALA 399 HA ALA 399 17.013 19.556 0.437 78 HB1 ALA 399 1HB ALA 399 19.397 18.467 1.945 79 HB2 ALA 399 2HB ALA 399 19.455 19.603 0.598 80 HB3 ALA 399 3HB ALA 399 18.881 17.956 0.338 81 H GLU 400 H GLU 400 15.315 19.366 2.609 82 HA GLU 400 HA GLU 400 13.798 17.930 3.518 83 HB2 GLU 400 2HB GLU 400 13.798 16.677 1.440 84 HB3 GLU 400 1HB GLU 400 15.294 15.873 1.880 85 HG2 GLU 400 2HG GLU 400 13.413 14.377 2.116 86 HG3 GLU 400 1HG GLU 400 14.137 14.707 3.688 87 H GLU 401 H GLU 401 13.684 16.151 5.184 88 HA GLU 401 HA GLU 401 16.294 15.746 6.453 89 HB2 GLU 401 2HB GLU 401 14.318 17.441 7.494 90 HB3 GLU 401 1HB GLU 401 14.218 15.966 8.452 91 HG2 GLU 401 2HG GLU 401 16.349 17.988 8.312 92 HG3 GLU 401 1HG GLU 401 15.841 16.960 9.653 93 H ASP 402 H ASP 402 15.877 14.090 8.389 94 HA ASP 402 HA ASP 402 15.274 11.661 7.147 95 HB2 ASP 402 2HB ASP 402 16.650 12.107 9.277 96 HB3 ASP 402 1HB ASP 402 15.106 12.033 10.125 97 H GLU 403 H GLU 403 13.559 10.284 7.215 98 HA GLU 403 HA GLU 403 10.969 11.443 7.339 99 HB2 GLU 403 2HB GLU 403 12.094 8.746 6.789 100 HB3 GLU 403 1HB GLU 403 10.403 8.829 7.259 101 HG2 GLU 403 2HG GLU 403 10.838 8.826 4.798 102 HG3 GLU 403 1HG GLU 403 9.848 10.159 5.386 103 H ASP 404 H ASP 404 9.685 11.730 9.044 104 HA ASP 404 HA ASP 404 10.333 11.180 11.666 105 HB2 ASP 404 2HB ASP 404 7.508 11.248 10.571 106 HB3 ASP 404 1HB ASP 404 8.015 11.628 12.210 107 H ASP 405 H ASP 405 10.391 9.336 12.833 108 HA ASP 405 HA ASP 405 9.219 6.939 11.609 109 HB2 ASP 405 2HB ASP 405 11.325 7.231 13.763 110 HB3 ASP 405 1HB ASP 405 10.661 5.687 13.242 111 H GLU 406 H GLU 406 8.489 9.211 13.888 112 HA GLU 406 HA GLU 406 6.843 7.281 15.363 113 HB2 GLU 406 2HB GLU 406 6.828 9.213 17.138 114 HB3 GLU 406 1HB GLU 406 8.150 8.062 17.084 115 HG2 GLU 406 2HG GLU 406 8.750 10.490 17.392 116 HG3 GLU 406 1HG GLU 406 9.612 9.615 16.133 117 H ASP 407 H ASP 407 5.023 8.573 16.526 118 HA ASP 407 HA ASP 407 3.052 9.539 16.331 119 HB2 ASP 407 2HB ASP 407 4.463 11.579 16.329 120 HB3 ASP 407 1HB ASP 407 4.353 11.576 14.571 121 H PHE 408 H PHE 408 2.813 7.459 15.021 122 HA PHE 408 HA PHE 408 1.478 8.215 12.513 123 HB2 PHE 408 2HB PHE 408 3.024 5.666 13.096 124 HB3 PHE 408 1HB PHE 408 1.902 5.827 11.766 125 HD1 PHE 408 1HD PHE 408 2.645 6.534 9.726 126 HD2 PHE 408 2HD PHE 408 4.968 7.387 13.177 127 HE1 PHE 408 1HE PHE 408 4.414 7.451 8.299 128 HE2 PHE 408 2HE PHE 408 6.739 8.310 11.756 129 HZ PHE 408 HZ PHE 408 6.453 8.353 9.321 130 H VAL 409 H VAL 409 -0.560 7.816 12.528 131 HA VAL 409 HA VAL 409 -1.693 6.512 14.836 132 HB VAL 409 HB VAL 409 -3.850 7.395 13.767 133 HG11 VAL 409 1HG1 VAL 409 -2.641 8.410 15.577 134 HG12 VAL 409 2HG1 VAL 409 -3.235 9.650 14.466 135 HG13 VAL 409 3HG1 VAL 409 -1.538 9.161 14.424 136 HG21 VAL 409 1HG2 VAL 409 -3.095 7.689 11.498 137 HG22 VAL 409 2HG2 VAL 409 -1.834 8.790 12.051 138 HG23 VAL 409 3HG2 VAL 409 -3.532 9.240 12.211 139 H GLU 410 H GLU 410 -2.217 4.513 14.862 140 HA GLU 410 HA GLU 410 -1.576 2.800 12.816 141 HB2 GLU 410 2HB GLU 410 -1.921 2.247 15.272 142 HB3 GLU 410 1HB GLU 410 -3.634 2.100 14.894 143 HG2 GLU 410 2HG GLU 410 -3.259 0.007 14.277 144 HG3 GLU 410 1HG GLU 410 -2.303 0.627 12.932 145 H VAL 411 H VAL 411 -2.505 2.083 11.119 146 HA VAL 411 HA VAL 411 -5.236 2.907 10.489 147 HB VAL 411 HB VAL 411 -3.177 1.853 8.519 148 HG11 VAL 411 1HG1 VAL 411 -4.607 3.052 6.927 149 HG12 VAL 411 2HG1 VAL 411 -5.684 3.514 8.245 150 HG13 VAL 411 3HG1 VAL 411 -5.509 1.816 7.802 151 HG21 VAL 411 1HG2 VAL 411 -3.714 4.683 9.290 152 HG22 VAL 411 2HG2 VAL 411 -2.698 4.126 7.958 153 HG23 VAL 411 3HG2 VAL 411 -2.252 3.757 9.626 154 HA PRO 412 HA PRO 412 -6.107 -1.453 11.165 155 HB2 PRO 412 2HB PRO 412 -8.756 -1.212 11.285 156 HB3 PRO 412 1HB PRO 412 -7.739 -0.548 12.575 157 HG2 PRO 412 2HG PRO 412 -8.955 0.873 10.217 158 HG3 PRO 412 1HG PRO 412 -8.988 1.341 11.929 159 HD2 PRO 412 2HD PRO 412 -7.211 2.367 10.157 160 HD3 PRO 412 1HD PRO 412 -6.832 2.146 11.877 161 H GLU 413 H GLU 413 -7.603 -3.038 10.066 162 HA GLU 413 HA GLU 413 -7.474 -2.652 7.189 163 HB2 GLU 413 2HB GLU 413 -8.687 -5.113 8.331 164 HB3 GLU 413 1HB GLU 413 -7.538 -4.937 7.012 165 HG2 GLU 413 2HG GLU 413 -6.386 -4.216 9.571 166 HG3 GLU 413 1HG GLU 413 -7.006 -5.866 9.555 167 H LYS 414 H LYS 414 -9.378 -2.998 5.825 168 HA LYS 414 HA LYS 414 -11.885 -2.440 7.263 169 HB2 LYS 414 2HB LYS 414 -10.715 -1.148 4.877 170 HB3 LYS 414 1HB LYS 414 -12.455 -1.403 4.873 171 HG2 LYS 414 2HG LYS 414 -12.798 0.257 6.307 172 HG3 LYS 414 1HG LYS 414 -11.515 -0.302 7.383 173 HD2 LYS 414 2HD LYS 414 -10.705 1.752 6.715 174 HD3 LYS 414 1HD LYS 414 -9.937 0.664 5.560 175 HE2 LYS 414 2HE LYS 414 -11.265 1.342 3.820 176 HE3 LYS 414 1HE LYS 414 -12.577 1.866 4.878 177 HZ1 LYS 414 1HZ LYS 414 -11.115 3.639 3.714 178 HZ2 LYS 414 2HZ LYS 414 -9.981 3.274 4.917 179 HZ3 LYS 414 3HZ LYS 414 -11.510 3.853 5.345 180 H GLU 415 H GLU 415 -10.504 -3.854 4.334 181 HA GLU 415 HA GLU 415 -11.109 -5.588 3.017 182 HB2 GLU 415 2HB GLU 415 -11.106 -6.796 5.191 183 HB3 GLU 415 1HB GLU 415 -12.828 -6.469 5.334 184 HG2 GLU 415 2HG GLU 415 -13.334 -7.832 3.469 185 HG3 GLU 415 1HG GLU 415 -11.637 -7.954 3.011 186 H GLY 416 H GLY 416 -14.159 -5.102 4.777 187 HA2 GLY 416 2HA GLY 416 -15.623 -5.192 2.264 188 HA3 GLY 416 1HA GLY 416 -16.319 -5.151 3.878 189 H TYR 417 H TYR 417 -14.354 -3.119 1.749 190 HA TYR 417 HA TYR 417 -16.169 -0.884 2.243 191 HB2 TYR 417 2HB TYR 417 -14.592 -0.278 3.826 192 HB3 TYR 417 1HB TYR 417 -13.271 -1.035 2.955 193 HD1 TYR 417 1HD TYR 417 -15.279 2.008 3.328 194 HD2 TYR 417 2HD TYR 417 -12.072 0.168 1.231 195 HE1 TYR 417 1HE TYR 417 -14.531 4.212 2.537 196 HE2 TYR 417 2HE TYR 417 -11.319 2.355 0.430 197 HH TYR 417 HH TYR 417 -11.704 4.942 1.516 198 H GLU 418 H GLU 418 -16.355 0.517 0.521 199 HA GLU 418 HA GLU 418 -15.205 -0.462 -1.985 200 HB2 GLU 418 2HB GLU 418 -16.869 1.676 -2.611 201 HB3 GLU 418 1HB GLU 418 -17.278 -0.028 -2.718 202 HG2 GLU 418 2HG GLU 418 -19.004 1.152 -1.536 203 HG3 GLU 418 1HG GLU 418 -18.173 0.059 -0.430 204 HA PRO 419 HA PRO 419 -12.042 2.625 -2.029 205 HB2 PRO 419 2HB PRO 419 -12.370 2.489 -4.977 206 HB3 PRO 419 1HB PRO 419 -10.921 2.255 -3.992 207 HG2 PRO 419 2HG PRO 419 -12.150 0.175 -5.112 208 HG3 PRO 419 1HG PRO 419 -11.463 0.057 -3.481 209 HD2 PRO 419 2HD PRO 419 -14.317 0.391 -4.316 210 HD3 PRO 419 1HD PRO 419 -13.633 -0.598 -3.010 211 H HIS 420 H HIS 420 -13.132 4.403 -1.228 212 HA HIS 420 HA HIS 420 -14.740 6.046 -3.028 213 HB2 HIS 420 2HB HIS 420 -14.655 5.618 -0.211 214 HB3 HIS 420 1HB HIS 420 -14.271 7.307 -0.516 215 HD1 HIS 420 1HD HIS 420 -17.109 4.821 -0.838 216 HD2 HIS 420 2HD HIS 420 -16.326 8.874 -1.414 217 HE1 HIS 420 1HE HIS 420 -19.345 5.942 -1.204 218 H ILE 421 H ILE 421 -14.306 8.495 -2.292 219 HA ILE 421 HA ILE 421 -11.475 8.993 -2.734 220 HB ILE 421 HB ILE 421 -11.928 9.816 -4.732 221 HG12 ILE 421 2HG1 ILE 421 -13.233 12.032 -4.828 222 HG13 ILE 421 1HG1 ILE 421 -13.308 11.898 -3.074 223 HG21 ILE 421 1HG2 ILE 421 -14.864 9.905 -4.084 224 HG22 ILE 421 2HG2 ILE 421 -14.003 8.526 -4.769 225 HG23 ILE 421 3HG2 ILE 421 -14.136 10.028 -5.686 226 HD11 ILE 421 1HD1 ILE 421 -10.814 12.030 -4.749 227 HD12 ILE 421 2HD1 ILE 421 -10.857 11.815 -3.000 228 HD13 ILE 421 3HD1 ILE 421 -11.464 13.305 -3.719 229 HA PRO 422 HA PRO 422 -13.145 12.579 0.001 230 HB2 PRO 422 2HB PRO 422 -15.829 11.840 0.850 231 HB3 PRO 422 1HB PRO 422 -15.284 13.326 0.069 232 HG2 PRO 422 2HG PRO 422 -16.856 11.482 -1.169 233 HG3 PRO 422 1HG PRO 422 -15.724 12.536 -2.037 234 HD2 PRO 422 2HD PRO 422 -15.418 9.663 -1.256 235 HD3 PRO 422 1HD PRO 422 -14.911 10.487 -2.744 236 H ASP 423 H ASP 423 -11.743 10.501 0.836 237 HA ASP 423 HA ASP 423 -12.854 8.970 2.922 238 HB2 ASP 423 2HB ASP 423 -10.866 8.054 2.203 239 HB3 ASP 423 1HB ASP 423 -10.069 9.620 2.068 240 H HIS 424 H HIS 424 -13.423 9.470 4.851 241 HA HIS 424 HA HIS 424 -12.086 11.534 6.382 242 HB2 HIS 424 2HB HIS 424 -14.223 12.637 6.993 243 HB3 HIS 424 1HB HIS 424 -13.864 12.806 5.281 244 HD1 HIS 424 1HD HIS 424 -15.221 10.870 3.743 245 HD2 HIS 424 2HD HIS 424 -16.740 11.900 7.461 246 HE1 HIS 424 1HE HIS 424 -17.633 10.113 3.761 247 H LEU 425 H LEU 425 -12.329 8.646 6.327 248 HA LEU 425 HA LEU 425 -13.810 8.140 8.819 249 HB2 LEU 425 2HB LEU 425 -12.934 6.139 6.735 250 HB3 LEU 425 1HB LEU 425 -13.911 5.806 8.151 251 HG LEU 425 HG LEU 425 -14.776 7.593 5.877 252 HD11 LEU 425 1HD1 LEU 425 -14.526 5.298 5.109 253 HD12 LEU 425 2HD1 LEU 425 -16.231 5.739 5.220 254 HD13 LEU 425 3HD1 LEU 425 -15.499 4.725 6.466 255 HD21 LEU 425 1HD2 LEU 425 -16.991 7.384 6.892 256 HD22 LEU 425 2HD2 LEU 425 -15.838 8.112 8.013 257 HD23 LEU 425 3HD2 LEU 425 -16.303 6.421 8.201 258 H ARG 426 H ARG 426 -11.897 9.106 9.843 259 HA ARG 426 HA ARG 426 -9.614 7.269 9.968 260 HB2 ARG 426 2HB ARG 426 -8.911 9.487 9.428 261 HB3 ARG 426 1HB ARG 426 -9.915 10.184 10.690 262 HG2 ARG 426 2HG ARG 426 -7.561 10.225 11.289 263 HG3 ARG 426 1HG ARG 426 -8.490 9.210 12.393 264 HD2 ARG 426 2HD ARG 426 -7.743 7.339 10.644 265 HD3 ARG 426 1HD ARG 426 -6.409 8.470 10.415 266 HE ARG 426 HE ARG 426 -6.455 8.296 13.076 267 HH11 ARG 426 1HH1 ARG 426 -6.529 5.787 10.619 268 HH12 ARG 426 2HH1 ARG 426 -5.842 4.579 11.659 269 HH21 ARG 426 1HH2 ARG 426 -5.581 6.708 14.441 270 HH22 ARG 426 2HH2 ARG 426 -5.318 5.095 13.825 271 HA PRO 427 HA PRO 427 -11.614 6.222 13.888 272 HB2 PRO 427 2HB PRO 427 -10.071 3.777 13.789 273 HB3 PRO 427 1HB PRO 427 -11.815 3.985 13.618 274 HG2 PRO 427 2HG PRO 427 -10.178 3.199 11.576 275 HG3 PRO 427 1HG PRO 427 -11.710 4.055 11.335 276 HD2 PRO 427 2HD PRO 427 -8.913 5.128 11.308 277 HD3 PRO 427 1HD PRO 427 -10.280 5.519 10.241 278 H GLU 428 H GLU 428 -10.535 7.667 15.207 279 HA GLU 428 HA GLU 428 -7.784 7.048 15.962 280 HB2 GLU 428 2HB GLU 428 -8.978 9.452 15.442 281 HB3 GLU 428 1HB GLU 428 -9.096 9.380 17.196 282 HG2 GLU 428 2HG GLU 428 -7.058 10.521 16.316 283 HG3 GLU 428 1HG GLU 428 -6.745 9.193 17.435 284 H TYR 429 H TYR 429 -7.217 6.894 18.197 285 HA TYR 429 HA TYR 429 -9.454 5.923 19.840 286 HB2 TYR 429 2HB TYR 429 -6.584 5.086 20.221 287 HB3 TYR 429 1HB TYR 429 -8.044 4.282 20.788 288 HD1 TYR 429 1HD TYR 429 -5.594 4.469 18.192 289 HD2 TYR 429 2HD TYR 429 -9.575 3.226 19.029 290 HE1 TYR 429 1HE TYR 429 -5.557 3.032 16.198 291 HE2 TYR 429 2HE TYR 429 -9.550 1.785 17.038 292 HH TYR 429 HH TYR 429 -6.717 1.006 15.370 293 H GLY 430 H GLY 430 -9.431 6.395 22.075 294 HA2 GLY 430 2HA GLY 430 -7.992 8.889 22.671 295 HA3 GLY 430 1HA GLY 430 -9.384 8.262 23.543 296 H LEU 431 H LEU 431 -8.966 6.107 24.658 297 HA LEU 431 HA LEU 431 -6.215 5.982 25.710 298 HB2 LEU 431 2HB LEU 431 -7.058 5.673 27.977 299 HB3 LEU 431 1HB LEU 431 -7.553 7.226 27.333 300 HG LEU 431 HG LEU 431 -9.495 5.010 27.021 301 HD11 LEU 431 1HD1 LEU 431 -10.300 5.263 29.323 302 HD12 LEU 431 2HD1 LEU 431 -8.899 6.269 29.695 303 HD13 LEU 431 3HD1 LEU 431 -8.677 4.573 29.265 304 HD21 LEU 431 1HD2 LEU 431 -11.069 6.801 27.581 305 HD22 LEU 431 2HD2 LEU 431 -9.999 7.271 26.259 306 HD23 LEU 431 3HD2 LEU 431 -9.717 7.893 27.885 307 H GLU 432 H GLU 432 -8.304 4.496 23.947 308 HA GLU 432 HA GLU 432 -8.574 1.934 25.197 309 HB2 GLU 432 2HB GLU 432 -8.962 2.626 22.280 310 HB3 GLU 432 1HB GLU 432 -9.607 1.231 23.131 311 HG2 GLU 432 2HG GLU 432 -11.424 2.669 22.926 312 HG3 GLU 432 1HG GLU 432 -10.867 2.919 24.580 313 H ALA 433 H ALA 433 -6.353 1.541 25.696 314 HA ALA 433 HA ALA 433 -4.842 0.500 23.388 315 HB1 ALA 433 1HB ALA 433 -2.771 1.145 24.466 316 HB2 ALA 433 2HB ALA 433 -3.658 1.771 25.855 317 HB3 ALA 433 3HB ALA 433 -3.811 2.556 24.284 318 H ALA 434 H ALA 434 -6.698 -0.507 25.668 319 HA ALA 434 HA ALA 434 -5.430 -3.037 25.998 320 HB1 ALA 434 1HB ALA 434 -5.333 -3.037 28.439 321 HB2 ALA 434 2HB ALA 434 -5.838 -1.348 28.472 322 HB3 ALA 434 3HB ALA 434 -4.277 -1.788 27.780 323 H MET 1 2HT MET 1 -2.719 -10.494 -10.051 324 HA MET 1 HA MET 1 -1.364 -12.502 -9.410 325 HB2 MET 1 2HB MET 1 -1.997 -12.145 -11.704 326 HB3 MET 1 1HB MET 1 -0.763 -10.909 -11.908 327 HG2 MET 1 2HG MET 1 -0.171 -13.048 -12.962 328 HG3 MET 1 1HG MET 1 0.984 -12.548 -11.728 329 HE1 MET 1 1HE MET 1 1.198 -15.420 -12.717 330 HE2 MET 1 2HE MET 1 1.217 -16.362 -11.226 331 HE3 MET 1 3HE MET 1 2.104 -14.840 -11.319 332 H ALA 2 H ALA 2 0.278 -12.851 -8.065 333 HA ALA 2 HA ALA 2 2.390 -11.038 -7.596 334 HB1 ALA 2 1HB ALA 2 1.653 -12.620 -5.904 335 HB2 ALA 2 2HB ALA 2 3.370 -12.833 -6.244 336 HB3 ALA 2 3HB ALA 2 2.193 -13.968 -6.906 337 H THR 3 H THR 3 3.993 -10.577 -8.923 338 HA THR 3 HA THR 3 5.444 -12.728 -10.261 339 HB THR 3 HB THR 3 4.868 -10.410 -12.022 340 HG1 THR 3 1HG THR 3 2.789 -11.083 -11.040 341 HG21 THR 3 1HG2 THR 3 4.927 -12.101 -13.748 342 HG22 THR 3 2HG2 THR 3 4.911 -13.384 -12.540 343 HG23 THR 3 3HG2 THR 3 6.310 -12.321 -12.677 344 H SER 4 H SER 4 5.724 -10.444 -8.190 345 HA SER 4 HA SER 4 7.450 -9.218 -7.361 346 HB2 SER 4 2HB SER 4 9.039 -10.043 -9.804 347 HB3 SER 4 1HB SER 4 9.680 -9.382 -8.298 348 HG SER 4 HG SER 4 8.835 -11.940 -8.896 349 H SER 5 H SER 5 5.696 -8.606 -9.891 350 HA SER 5 HA SER 5 6.109 -5.793 -9.890 351 HB2 SER 5 2HB SER 5 6.732 -7.360 -12.420 352 HB3 SER 5 1HB SER 5 6.433 -5.623 -12.386 353 HG SER 5 HG SER 5 8.323 -6.497 -10.577 354 H GLU 6 H GLU 6 4.071 -6.754 -8.933 355 HA GLU 6 HA GLU 6 2.057 -7.851 -10.577 356 HB2 GLU 6 2HB GLU 6 1.897 -6.454 -7.904 357 HB3 GLU 6 1HB GLU 6 0.565 -7.317 -8.656 358 HG2 GLU 6 2HG GLU 6 1.494 -8.769 -7.054 359 HG3 GLU 6 1HG GLU 6 2.005 -9.368 -8.629 360 H GLU 7 H GLU 7 -0.145 -6.812 -10.601 361 HA GLU 7 HA GLU 7 -0.136 -4.621 -12.334 362 HB2 GLU 7 2HB GLU 7 -2.465 -5.457 -10.601 363 HB3 GLU 7 1HB GLU 7 -2.522 -4.707 -12.189 364 HG2 GLU 7 2HG GLU 7 -2.967 -6.829 -12.817 365 HG3 GLU 7 1HG GLU 7 -1.208 -6.923 -12.850 366 H VAL 8 H VAL 8 0.169 -2.538 -11.922 367 HA VAL 8 HA VAL 8 0.293 -1.583 -9.201 368 HB VAL 8 HB VAL 8 0.586 0.005 -11.760 369 HG11 VAL 8 1HG1 VAL 8 1.445 0.560 -8.924 370 HG12 VAL 8 2HG1 VAL 8 0.185 1.399 -9.829 371 HG13 VAL 8 3HG1 VAL 8 1.872 1.546 -10.323 372 HG21 VAL 8 1HG2 VAL 8 2.994 -0.296 -11.499 373 HG22 VAL 8 2HG2 VAL 8 2.182 -1.848 -11.705 374 HG23 VAL 8 3HG2 VAL 8 2.721 -1.340 -10.104 375 H LEU 9 H LEU 9 -1.688 -1.428 -8.308 376 HA LEU 9 HA LEU 9 -3.970 -0.442 -9.766 377 HB2 LEU 9 2HB LEU 9 -3.879 -0.825 -6.793 378 HB3 LEU 9 1HB LEU 9 -5.249 -0.970 -7.873 379 HG LEU 9 HG LEU 9 -2.942 -2.913 -7.792 380 HD11 LEU 9 1HD1 LEU 9 -4.507 -4.406 -6.638 381 HD12 LEU 9 2HD1 LEU 9 -5.690 -3.100 -6.565 382 HD13 LEU 9 3HD1 LEU 9 -4.163 -2.958 -5.694 383 HD21 LEU 9 1HD2 LEU 9 -4.464 -4.355 -9.068 384 HD22 LEU 9 2HD2 LEU 9 -4.076 -2.870 -9.938 385 HD23 LEU 9 3HD2 LEU 9 -5.639 -3.040 -9.137 386 H LEU 10 H LEU 10 -1.707 0.757 -7.347 387 HA LEU 10 HA LEU 10 -3.030 3.398 -7.614 388 HB2 LEU 10 2HB LEU 10 -3.338 2.191 -5.381 389 HB3 LEU 10 1HB LEU 10 -1.636 2.528 -5.097 390 HG LEU 10 HG LEU 10 -2.219 4.982 -5.508 391 HD11 LEU 10 1HD1 LEU 10 -5.002 3.918 -5.052 392 HD12 LEU 10 2HD1 LEU 10 -4.397 4.650 -6.539 393 HD13 LEU 10 3HD1 LEU 10 -4.535 5.619 -5.072 394 HD21 LEU 10 1HD2 LEU 10 -1.697 4.087 -3.313 395 HD22 LEU 10 2HD2 LEU 10 -3.367 3.553 -3.117 396 HD23 LEU 10 3HD2 LEU 10 -2.995 5.276 -3.204 397 H ILE 11 H ILE 11 -1.774 5.156 -7.910 398 HA ILE 11 HA ILE 11 1.142 4.773 -7.858 399 HB ILE 11 HB ILE 11 -0.418 6.277 -9.969 400 HG12 ILE 11 2HG1 ILE 11 1.285 3.781 -10.177 401 HG13 ILE 11 1HG1 ILE 11 -0.474 3.824 -10.244 402 HG21 ILE 11 1HG2 ILE 11 1.773 6.663 -11.021 403 HG22 ILE 11 2HG2 ILE 11 2.559 5.927 -9.624 404 HG23 ILE 11 3HG2 ILE 11 1.651 7.427 -9.435 405 HD11 ILE 11 1HD1 ILE 11 1.415 5.076 -12.223 406 HD12 ILE 11 2HD1 ILE 11 -0.344 5.176 -12.285 407 HD13 ILE 11 3HD1 ILE 11 0.458 3.614 -12.461 408 H VAL 12 H VAL 12 1.800 5.961 -6.213 409 HA VAL 12 HA VAL 12 0.725 8.689 -5.848 410 HB VAL 12 HB VAL 12 2.133 6.857 -3.888 411 HG11 VAL 12 1HG1 VAL 12 1.612 8.643 -2.226 412 HG12 VAL 12 2HG1 VAL 12 1.180 9.696 -3.572 413 HG13 VAL 12 3HG1 VAL 12 2.830 9.096 -3.417 414 HG21 VAL 12 1HG2 VAL 12 -0.688 7.917 -3.929 415 HG22 VAL 12 2HG2 VAL 12 0.014 6.875 -2.691 416 HG23 VAL 12 3HG2 VAL 12 -0.202 6.272 -4.335 417 H LYS 13 H LYS 13 2.213 10.404 -5.799 418 HA LYS 13 HA LYS 13 4.919 9.642 -6.703 419 HB2 LYS 13 2HB LYS 13 3.465 12.201 -7.357 420 HB3 LYS 13 1HB LYS 13 5.011 11.667 -8.004 421 HG2 LYS 13 2HG LYS 13 4.023 10.510 -9.610 422 HG3 LYS 13 1HG LYS 13 2.963 9.694 -8.459 423 HD2 LYS 13 2HD LYS 13 2.471 12.509 -9.367 424 HD3 LYS 13 1HD LYS 13 1.865 11.117 -10.264 425 HE2 LYS 13 2HE LYS 13 0.058 11.551 -8.924 426 HE3 LYS 13 1HE LYS 13 0.936 10.413 -7.908 427 HZ1 LYS 13 1HZ LYS 13 1.984 12.779 -7.146 428 HZ2 LYS 13 2HZ LYS 13 0.712 11.987 -6.355 429 HZ3 LYS 13 3HZ LYS 13 0.382 13.211 -7.475 430 H LYS 14 H LYS 14 6.460 11.564 -6.452 431 HA LYS 14 HA LYS 14 7.867 12.507 -4.962 432 HB2 LYS 14 2HB LYS 14 5.253 13.902 -4.672 433 HB3 LYS 14 1HB LYS 14 6.664 14.467 -3.781 434 HG2 LYS 14 2HG LYS 14 7.075 14.020 -6.658 435 HG3 LYS 14 1HG LYS 14 5.941 15.309 -6.255 436 HD2 LYS 14 2HD LYS 14 8.195 16.192 -6.497 437 HD3 LYS 14 1HD LYS 14 7.645 16.349 -4.829 438 HE2 LYS 14 2HE LYS 14 9.974 15.590 -4.974 439 HE3 LYS 14 1HE LYS 14 8.934 14.407 -4.185 440 HZ1 LYS 14 1HZ LYS 14 10.275 13.193 -5.641 441 HZ2 LYS 14 2HZ LYS 14 10.082 14.295 -6.912 442 HZ3 LYS 14 3HZ LYS 14 8.790 13.308 -6.453 443 H VAL 15 H VAL 15 7.704 10.290 -3.886 444 HA VAL 15 HA VAL 15 6.921 10.674 -1.071 445 HB VAL 15 HB VAL 15 6.912 8.111 -2.683 446 HG11 VAL 15 1HG1 VAL 15 6.107 7.029 -0.623 447 HG12 VAL 15 2HG1 VAL 15 6.374 8.534 0.258 448 HG13 VAL 15 3HG1 VAL 15 7.742 7.667 -0.442 449 HG21 VAL 15 1HG2 VAL 15 4.517 8.091 -2.151 450 HG22 VAL 15 2HG2 VAL 15 4.974 9.523 -3.074 451 HG23 VAL 15 3HG2 VAL 15 4.692 9.645 -1.336 452 H ARG 16 H ARG 16 8.572 10.652 0.291 453 HA ARG 16 HA ARG 16 11.145 9.657 -0.712 454 HB2 ARG 16 2HB ARG 16 10.466 11.738 1.369 455 HB3 ARG 16 1HB ARG 16 12.096 11.111 1.136 456 HG2 ARG 16 2HG ARG 16 12.269 12.021 -1.003 457 HG3 ARG 16 1HG ARG 16 10.529 12.262 -1.140 458 HD2 ARG 16 2HD ARG 16 10.631 14.021 0.545 459 HD3 ARG 16 1HD ARG 16 12.369 13.761 0.722 460 HE ARG 16 HE ARG 16 11.945 14.231 -1.968 461 HH11 ARG 16 1HH1 ARG 16 11.410 16.024 1.017 462 HH12 ARG 16 2HH1 ARG 16 11.640 17.565 0.246 463 HH21 ARG 16 1HH2 ARG 16 12.234 16.214 -2.947 464 HH22 ARG 16 2HH2 ARG 16 12.117 17.680 -2.020 465 H GLN 17 H GLN 17 12.171 8.063 0.238 466 HA GLN 17 HA GLN 17 11.099 6.999 2.770 467 HB2 GLN 17 2HB GLN 17 10.985 5.672 0.458 468 HB3 GLN 17 1HB GLN 17 12.642 5.272 0.879 469 HG2 GLN 17 2HG GLN 17 10.351 4.816 2.762 470 HG3 GLN 17 1HG GLN 17 10.839 3.628 1.558 471 HE21 GLN 17 1HE2 GLN 17 13.669 4.260 1.803 472 HE22 GLN 17 2HE2 GLN 17 14.182 3.577 3.304 473 H LYS 18 H LYS 18 12.471 7.765 4.260 474 HA LYS 18 HA LYS 18 14.339 8.338 5.377 475 HB2 LYS 18 2HB LYS 18 14.803 5.657 4.239 476 HB3 LYS 18 1HB LYS 18 16.165 6.436 5.038 477 HG2 LYS 18 2HG LYS 18 13.535 5.560 6.178 478 HG3 LYS 18 1HG LYS 18 15.165 5.163 6.718 479 HD2 LYS 18 2HD LYS 18 15.437 7.583 7.349 480 HD3 LYS 18 1HD LYS 18 13.718 7.792 7.012 481 HE2 LYS 18 2HE LYS 18 13.241 6.006 8.679 482 HE3 LYS 18 1HE LYS 18 14.957 5.977 9.075 483 HZ1 LYS 18 1HZ LYS 18 13.725 7.328 10.644 484 HZ2 LYS 18 2HZ LYS 18 13.139 8.306 9.394 485 HZ3 LYS 18 3HZ LYS 18 14.796 8.307 9.757 486 H LYS 19 H LYS 19 14.431 10.117 3.736 487 HA LYS 19 HA LYS 19 15.637 11.623 2.585 488 HB2 LYS 19 2HB LYS 19 17.633 9.883 3.826 489 HB3 LYS 19 1HB LYS 19 18.235 10.920 2.535 490 HG2 LYS 19 2HG LYS 19 16.587 12.022 4.784 491 HG3 LYS 19 1HG LYS 19 18.324 11.766 4.966 492 HD2 LYS 19 2HD LYS 19 18.842 13.319 3.279 493 HD3 LYS 19 1HD LYS 19 17.193 13.311 2.649 494 HE2 LYS 19 2HE LYS 19 17.643 15.369 3.861 495 HE3 LYS 19 1HE LYS 19 16.407 14.417 4.679 496 HZ1 LYS 19 1HZ LYS 19 18.090 15.393 6.194 497 HZ2 LYS 19 2HZ LYS 19 19.273 14.431 5.456 498 HZ3 LYS 19 3HZ LYS 19 18.002 13.703 6.293 499 H GLN 20 H GLN 20 14.566 9.202 1.189 500 HA GLN 20 HA GLN 20 16.189 9.498 -1.253 501 HB2 GLN 20 2HB GLN 20 14.881 7.015 -0.143 502 HB3 GLN 20 1HB GLN 20 15.370 7.150 -1.826 503 HG2 GLN 20 2HG GLN 20 17.586 7.029 -1.343 504 HG3 GLN 20 1HG GLN 20 17.394 7.780 0.241 505 HE21 GLN 20 1HE2 GLN 20 16.903 6.524 2.006 506 HE22 GLN 20 2HE2 GLN 20 16.993 4.796 1.969 507 H ASP 21 H ASP 21 15.055 10.531 -2.774 508 HA ASP 21 HA ASP 21 12.194 10.834 -2.518 509 HB2 ASP 21 2HB ASP 21 14.052 12.542 -3.367 510 HB3 ASP 21 1HB ASP 21 13.652 11.819 -4.924 511 H GLY 22 H GLY 22 10.618 10.146 -3.978 512 HA2 GLY 22 2HA GLY 22 11.094 8.830 -6.399 513 HA3 GLY 22 1HA GLY 22 11.023 7.611 -5.136 514 H ALA 23 H ALA 23 9.197 6.755 -6.213 515 HA ALA 23 HA ALA 23 6.686 8.187 -5.592 516 HB1 ALA 23 1HB ALA 23 6.943 8.390 -7.955 517 HB2 ALA 23 2HB ALA 23 5.740 7.131 -7.664 518 HB3 ALA 23 3HB ALA 23 7.387 6.690 -8.115 519 H LEU 24 H LEU 24 4.977 6.822 -4.935 520 HA LEU 24 HA LEU 24 5.835 4.101 -4.193 521 HB2 LEU 24 2HB LEU 24 5.353 5.620 -2.302 522 HB3 LEU 24 1HB LEU 24 3.713 5.808 -2.900 523 HG LEU 24 HG LEU 24 3.587 3.236 -2.700 524 HD11 LEU 24 1HD1 LEU 24 4.976 2.307 -0.911 525 HD12 LEU 24 2HD1 LEU 24 5.898 3.808 -0.866 526 HD13 LEU 24 3HD1 LEU 24 5.925 2.800 -2.312 527 HD21 LEU 24 1HD2 LEU 24 2.315 4.809 -1.327 528 HD22 LEU 24 2HD2 LEU 24 3.690 4.966 -0.234 529 HD23 LEU 24 3HD2 LEU 24 2.854 3.421 -0.383 530 H TYR 25 H TYR 25 4.843 2.460 -5.118 531 HA TYR 25 HA TYR 25 2.259 2.971 -6.442 532 HB2 TYR 25 2HB TYR 25 4.253 0.867 -7.276 533 HB3 TYR 25 1HB TYR 25 2.851 1.441 -8.169 534 HD1 TYR 25 1HD TYR 25 2.927 3.583 -9.355 535 HD2 TYR 25 2HD TYR 25 6.334 2.080 -7.298 536 HE1 TYR 25 1HE TYR 25 4.357 5.164 -10.579 537 HE2 TYR 25 2HE TYR 25 7.772 3.661 -8.512 538 HH TYR 25 HH TYR 25 7.753 4.938 -10.594 539 H LEU 26 H LEU 26 0.599 1.634 -5.982 540 HA LEU 26 HA LEU 26 1.131 -0.546 -4.082 541 HB2 LEU 26 2HB LEU 26 -1.477 0.825 -4.718 542 HB3 LEU 26 1HB LEU 26 -1.261 -0.459 -3.547 543 HG LEU 26 HG LEU 26 -0.464 2.403 -3.380 544 HD11 LEU 26 1HD1 LEU 26 -2.574 1.677 -2.410 545 HD12 LEU 26 2HD1 LEU 26 -1.444 2.169 -1.148 546 HD13 LEU 26 3HD1 LEU 26 -1.729 0.456 -1.460 547 HD21 LEU 26 1HD2 LEU 26 0.980 1.918 -1.487 548 HD22 LEU 26 2HD2 LEU 26 1.601 1.192 -2.970 549 HD23 LEU 26 3HD2 LEU 26 0.780 0.191 -1.773 550 H MET 27 H MET 27 0.981 -2.580 -4.817 551 HA MET 27 HA MET 27 -0.431 -2.974 -7.364 552 HB2 MET 27 2HB MET 27 1.697 -4.712 -6.125 553 HB3 MET 27 1HB MET 27 0.878 -4.976 -7.656 554 HG2 MET 27 2HG MET 27 2.812 -4.047 -8.380 555 HG3 MET 27 1HG MET 27 1.785 -2.622 -8.241 556 HE1 MET 27 1HE MET 27 5.078 -1.030 -7.210 557 HE2 MET 27 2HE MET 27 3.560 -0.836 -8.085 558 HE3 MET 27 3HE MET 27 4.681 -2.118 -8.541 559 H ALA 28 H ALA 28 -1.426 -5.104 -7.644 560 HA ALA 28 HA ALA 28 -3.489 -5.507 -5.866 561 HB1 ALA 28 1HB ALA 28 -2.415 -7.623 -7.708 562 HB2 ALA 28 2HB ALA 28 -3.365 -6.239 -8.249 563 HB3 ALA 28 3HB ALA 28 -4.073 -7.415 -7.140 564 H GLU 29 H GLU 29 -0.282 -6.953 -5.756 565 HA GLU 29 HA GLU 29 -1.204 -8.585 -3.485 566 HB2 GLU 29 2HB GLU 29 1.286 -9.296 -4.955 567 HB3 GLU 29 1HB GLU 29 0.161 -10.335 -4.097 568 HG2 GLU 29 2HG GLU 29 -0.442 -9.006 -6.727 569 HG3 GLU 29 1HG GLU 29 0.208 -10.635 -6.567 570 H ARG 30 H ARG 30 0.758 -5.913 -4.227 571 HA ARG 30 HA ARG 30 1.972 -6.050 -1.623 572 HB2 ARG 30 2HB ARG 30 4.178 -6.435 -2.127 573 HB3 ARG 30 1HB ARG 30 3.404 -7.455 -3.331 574 HG2 ARG 30 2HG ARG 30 3.720 -5.746 -5.027 575 HG3 ARG 30 1HG ARG 30 4.415 -4.656 -3.826 576 HD2 ARG 30 2HD ARG 30 6.251 -5.590 -4.960 577 HD3 ARG 30 1HD ARG 30 6.163 -6.452 -3.424 578 HE ARG 30 HE ARG 30 4.909 -7.610 -5.818 579 HH11 ARG 30 1HH1 ARG 30 7.481 -7.705 -3.432 580 HH12 ARG 30 2HH1 ARG 30 7.835 -9.380 -3.696 581 HH21 ARG 30 1HH2 ARG 30 5.367 -9.793 -6.182 582 HH22 ARG 30 2HH2 ARG 30 6.632 -10.578 -5.278 583 H ILE 31 H ILE 31 3.479 -4.243 -1.220 584 HA ILE 31 HA ILE 31 2.714 -1.855 -2.757 585 HB ILE 31 HB ILE 31 1.839 -1.521 -0.580 586 HG12 ILE 31 2HG1 ILE 31 4.573 -0.232 -0.489 587 HG13 ILE 31 1HG1 ILE 31 3.236 0.363 -1.467 588 HG21 ILE 31 1HG2 ILE 31 2.921 -3.378 0.539 589 HG22 ILE 31 2HG2 ILE 31 3.111 -1.898 1.481 590 HG23 ILE 31 3HG2 ILE 31 4.459 -2.515 0.526 591 HD11 ILE 31 1HD1 ILE 31 1.928 0.740 0.558 592 HD12 ILE 31 2HD1 ILE 31 3.453 1.626 0.590 593 HD13 ILE 31 3HD1 ILE 31 3.270 0.147 1.534 594 H ALA 32 H ALA 32 4.372 -0.857 -3.790 595 HA ALA 32 HA ALA 32 7.082 -1.421 -2.813 596 HB1 ALA 32 1HB ALA 32 6.641 -2.965 -4.630 597 HB2 ALA 32 2HB ALA 32 7.875 -1.788 -5.085 598 HB3 ALA 32 3HB ALA 32 6.226 -1.618 -5.690 599 H TRP 33 H TRP 33 8.588 0.131 -3.114 600 HA TRP 33 HA TRP 33 7.620 2.707 -4.156 601 HB2 TRP 33 2HB TRP 33 7.853 2.850 -1.748 602 HB3 TRP 33 1HB TRP 33 9.464 2.148 -1.821 603 HD1 TRP 33 HD TRP 33 7.593 5.424 -2.415 604 HE1 TRP 33 1HE TRP 33 9.311 7.338 -2.615 605 HE3 TRP 33 3HE TRP 33 11.892 2.656 -2.476 606 HZ2 TRP 33 2HZ TRP 33 12.105 7.624 -2.782 607 HZ3 TRP 33 3HZ TRP 33 14.046 3.830 -2.659 608 HH2 TRP 33 HH TRP 33 14.146 6.263 -2.812 609 H ALA 34 H ALA 34 8.862 3.709 -5.627 610 HA ALA 34 HA ALA 34 11.588 2.730 -6.090 611 HB1 ALA 34 1HB ALA 34 11.218 2.633 -8.495 612 HB2 ALA 34 2HB ALA 34 9.528 3.086 -8.269 613 HB3 ALA 34 3HB ALA 34 10.116 1.537 -7.659 614 HA PRO 35 HA PRO 35 12.379 7.101 -6.112 615 HB2 PRO 35 2HB PRO 35 14.692 6.380 -7.828 616 HB3 PRO 35 1HB PRO 35 14.663 7.235 -6.282 617 HG2 PRO 35 2HG PRO 35 15.536 4.710 -6.462 618 HG3 PRO 35 1HG PRO 35 14.628 5.281 -5.049 619 HD2 PRO 35 2HD PRO 35 13.711 3.598 -7.342 620 HD3 PRO 35 1HD PRO 35 13.278 3.498 -5.622 621 H GLU 36 H GLU 36 11.758 8.712 -7.475 622 HA GLU 36 HA GLU 36 10.416 8.195 -9.833 623 HB2 GLU 36 2HB GLU 36 11.574 10.692 -8.651 624 HB3 GLU 36 1HB GLU 36 10.864 10.736 -10.260 625 HG2 GLU 36 2HG GLU 36 8.738 10.081 -9.439 626 HG3 GLU 36 1HG GLU 36 9.400 9.682 -7.855 627 H GLY 37 H GLY 37 10.978 7.778 -11.837 628 HA2 GLY 37 2HA GLY 37 12.250 8.199 -13.814 629 HA3 GLY 37 1HA GLY 37 13.622 8.623 -12.800 630 H LYS 38 H LYS 38 12.324 5.950 -11.412 631 HA LYS 38 HA LYS 38 14.094 4.171 -12.954 632 HB2 LYS 38 2HB LYS 38 13.447 4.251 -10.015 633 HB3 LYS 38 1HB LYS 38 14.094 2.803 -10.769 634 HG2 LYS 38 2HG LYS 38 16.004 3.797 -9.986 635 HG3 LYS 38 1HG LYS 38 15.948 4.421 -11.635 636 HD2 LYS 38 2HD LYS 38 14.433 6.195 -10.061 637 HD3 LYS 38 1HD LYS 38 15.905 5.853 -9.149 638 HE2 LYS 38 2HE LYS 38 17.278 6.534 -10.993 639 HE3 LYS 38 1HE LYS 38 15.870 6.687 -12.044 640 HZ1 LYS 38 1HZ LYS 38 15.064 8.492 -10.638 641 HZ2 LYS 38 2HZ LYS 38 16.602 8.842 -11.253 642 HZ3 LYS 38 3HZ LYS 38 16.430 8.349 -9.646 643 H ASP 39 H ASP 39 13.385 2.093 -13.447 644 HA ASP 39 HA ASP 39 10.490 1.807 -13.541 645 HB2 ASP 39 2HB ASP 39 10.948 0.964 -15.566 646 HB3 ASP 39 1HB ASP 39 12.673 1.065 -15.236 647 H ARG 40 H ARG 40 13.181 0.550 -11.811 648 HA ARG 40 HA ARG 40 11.579 -1.720 -10.878 649 HB2 ARG 40 2HB ARG 40 14.167 -1.691 -11.770 650 HB3 ARG 40 1HB ARG 40 14.387 -1.598 -10.027 651 HG2 ARG 40 2HG ARG 40 14.318 -3.840 -10.192 652 HG3 ARG 40 1HG ARG 40 12.577 -3.568 -10.138 653 HD2 ARG 40 2HD ARG 40 14.257 -3.914 -12.620 654 HD3 ARG 40 1HD ARG 40 13.162 -5.109 -11.931 655 HE ARG 40 HE ARG 40 12.450 -2.720 -13.457 656 HH11 ARG 40 1HH1 ARG 40 11.339 -5.404 -11.475 657 HH12 ARG 40 2HH1 ARG 40 9.707 -5.335 -12.060 658 HH21 ARG 40 1HH2 ARG 40 10.320 -2.631 -14.244 659 HH22 ARG 40 2HH2 ARG 40 9.129 -3.750 -13.635 660 H PHE 41 H PHE 41 11.051 -1.963 -8.810 661 HA PHE 41 HA PHE 41 11.279 0.357 -7.093 662 HB2 PHE 41 2HB PHE 41 9.904 -2.149 -6.229 663 HB3 PHE 41 1HB PHE 41 9.440 -0.470 -5.970 664 HD1 PHE 41 1HD PHE 41 9.031 -3.391 -8.013 665 HD2 PHE 41 2HD PHE 41 8.463 0.824 -7.900 666 HE1 PHE 41 1HE PHE 41 7.449 -3.560 -9.888 667 HE2 PHE 41 2HE PHE 41 6.878 0.663 -9.774 668 HZ PHE 41 HZ PHE 41 6.369 -1.529 -10.772 669 H THR 42 H THR 42 12.500 0.489 -5.292 670 HA THR 42 HA THR 42 14.410 -1.632 -4.787 671 HB THR 42 HB THR 42 15.031 0.172 -2.914 672 HG1 THR 42 1HG THR 42 14.390 2.206 -3.481 673 HG21 THR 42 1HG2 THR 42 16.554 1.206 -4.532 674 HG22 THR 42 2HG2 THR 42 15.617 0.519 -5.858 675 HG23 THR 42 3HG2 THR 42 16.489 -0.543 -4.752 676 H ILE 43 H ILE 43 11.693 -0.063 -3.205 677 HA ILE 43 HA ILE 43 11.936 -1.849 -0.897 678 HB ILE 43 HB ILE 43 10.091 0.499 -1.391 679 HG12 ILE 43 2HG1 ILE 43 12.468 1.083 -0.985 680 HG13 ILE 43 1HG1 ILE 43 11.405 1.649 0.299 681 HG21 ILE 43 1HG2 ILE 43 9.008 -1.201 -0.008 682 HG22 ILE 43 2HG2 ILE 43 9.375 0.250 0.925 683 HG23 ILE 43 3HG2 ILE 43 10.385 -1.186 1.093 684 HD11 ILE 43 1HD1 ILE 43 13.476 0.741 1.189 685 HD12 ILE 43 2HD1 ILE 43 13.144 -0.806 0.408 686 HD13 ILE 43 3HD1 ILE 43 12.090 -0.225 1.697 687 H SER 44 H SER 44 10.885 -3.731 -0.978 688 HA SER 44 HA SER 44 8.337 -3.847 -2.439 689 HB2 SER 44 2HB SER 44 10.385 -4.917 -3.606 690 HB3 SER 44 1HB SER 44 10.259 -6.164 -2.368 691 HG SER 44 HG SER 44 8.804 -5.836 -4.606 692 H HIS 45 H HIS 45 6.796 -4.190 -0.971 693 HA HIS 45 HA HIS 45 7.262 -6.254 1.079 694 HB2 HIS 45 2HB HIS 45 6.043 -3.523 1.440 695 HB3 HIS 45 1HB HIS 45 5.693 -4.845 2.545 696 HD1 HIS 45 1HD HIS 45 8.167 -5.988 3.460 697 HD2 HIS 45 2HD HIS 45 7.998 -1.992 2.359 698 HE1 HIS 45 1HE HIS 45 10.118 -4.854 4.598 699 H MET 46 H MET 46 5.831 -7.826 1.019 700 HA MET 46 HA MET 46 3.477 -7.497 -0.659 701 HB2 MET 46 2HB MET 46 4.500 -9.887 0.905 702 HB3 MET 46 1HB MET 46 3.097 -9.908 -0.151 703 HG2 MET 46 2HG MET 46 5.696 -9.026 -1.280 704 HG3 MET 46 1HG MET 46 5.455 -10.742 -0.956 705 HE1 MET 46 1HE MET 46 2.380 -11.606 -3.184 706 HE2 MET 46 2HE MET 46 2.250 -11.005 -1.531 707 HE3 MET 46 3HE MET 46 3.513 -12.162 -1.951 708 H TYR 47 H TYR 47 1.350 -7.782 0.162 709 HA TYR 47 HA TYR 47 0.930 -6.579 2.687 710 HB2 TYR 47 2HB TYR 47 -1.069 -8.181 1.074 711 HB3 TYR 47 1HB TYR 47 -1.439 -7.037 2.361 712 HD1 TYR 47 1HD TYR 47 0.100 -4.718 1.857 713 HD2 TYR 47 2HD TYR 47 -1.723 -7.312 -0.975 714 HE1 TYR 47 1HE TYR 47 0.038 -2.882 0.227 715 HE2 TYR 47 2HE TYR 47 -1.791 -5.481 -2.613 716 HH TYR 47 HH TYR 47 -1.154 -3.400 -3.071 717 H ALA 48 H ALA 48 1.531 -9.789 1.748 718 HA ALA 48 HA ALA 48 0.338 -11.093 4.002 719 HB1 ALA 48 1HB ALA 48 0.636 -12.246 1.866 720 HB2 ALA 48 2HB ALA 48 1.458 -13.091 3.177 721 HB3 ALA 48 3HB ALA 48 2.386 -12.115 2.039 722 H ASP 49 H ASP 49 3.048 -9.163 3.699 723 HA ASP 49 HA ASP 49 4.419 -10.543 5.910 724 HB2 ASP 49 2HB ASP 49 5.717 -8.254 4.504 725 HB3 ASP 49 1HB ASP 49 6.449 -9.690 5.201 726 H ILE 50 H ILE 50 2.390 -7.996 5.188 727 HA ILE 50 HA ILE 50 3.458 -6.230 7.264 728 HB ILE 50 HB ILE 50 1.084 -5.746 5.460 729 HG12 ILE 50 2HG1 ILE 50 3.893 -4.687 5.107 730 HG13 ILE 50 1HG1 ILE 50 3.287 -6.104 4.255 731 HG21 ILE 50 1HG2 ILE 50 2.752 -3.896 7.159 732 HG22 ILE 50 2HG2 ILE 50 1.084 -4.385 7.463 733 HG23 ILE 50 3HG2 ILE 50 1.469 -3.389 6.058 734 HD11 ILE 50 1HD1 ILE 50 3.155 -4.166 2.838 735 HD12 ILE 50 2HD1 ILE 50 2.221 -3.298 4.056 736 HD13 ILE 50 3HD1 ILE 50 1.528 -4.705 3.249 737 H LYS 51 H LYS 51 2.600 -6.130 9.243 738 HA LYS 51 HA LYS 51 0.439 -7.884 9.991 739 HB2 LYS 51 2HB LYS 51 2.505 -7.439 11.368 740 HB3 LYS 51 1HB LYS 51 1.874 -5.832 11.682 741 HG2 LYS 51 2HG LYS 51 0.149 -6.631 13.013 742 HG3 LYS 51 1HG LYS 51 0.264 -8.263 12.349 743 HD2 LYS 51 2HD LYS 51 1.171 -8.067 14.656 744 HD3 LYS 51 1HD LYS 51 2.356 -8.637 13.480 745 HE2 LYS 51 2HE LYS 51 3.014 -6.142 13.289 746 HE3 LYS 51 1HE LYS 51 2.156 -5.961 14.819 747 HZ1 LYS 51 1HZ LYS 51 4.352 -7.916 14.380 748 HZ2 LYS 51 2HZ LYS 51 3.630 -7.497 15.855 749 HZ3 LYS 51 3HZ LYS 51 4.586 -6.371 15.031 750 H CYS 52 H CYS 52 1.022 -4.398 10.277 751 HA CYS 52 HA CYS 52 -1.728 -3.791 9.616 752 HB2 CYS 52 2HB CYS 52 -1.793 -2.240 11.704 753 HB3 CYS 52 1HB CYS 52 -2.163 -3.948 11.912 754 HG CYS 52 HG CYS 52 -0.070 -2.193 13.568 755 H GLN 53 H GLN 53 -1.851 -1.109 9.913 756 HA GLN 53 HA GLN 53 0.745 -0.144 8.954 757 HB2 GLN 53 2HB GLN 53 -0.767 1.244 7.335 758 HB3 GLN 53 1HB GLN 53 -0.422 -0.426 6.941 759 HG2 GLN 53 2HG GLN 53 -2.538 -1.141 7.560 760 HG3 GLN 53 1HG GLN 53 -2.857 0.314 8.499 761 HE21 GLN 53 1HE2 GLN 53 -1.754 1.973 6.280 762 HE22 GLN 53 2HE2 GLN 53 -3.020 2.025 5.108 763 H LYS 54 H LYS 54 0.843 2.248 9.145 764 HA LYS 54 HA LYS 54 -1.129 3.493 10.937 765 HB2 LYS 54 2HB LYS 54 1.849 3.781 11.471 766 HB3 LYS 54 1HB LYS 54 0.515 4.373 12.432 767 HG2 LYS 54 2HG LYS 54 0.117 1.644 12.383 768 HG3 LYS 54 1HG LYS 54 1.869 1.831 12.529 769 HD2 LYS 54 2HD LYS 54 0.816 3.753 14.232 770 HD3 LYS 54 1HD LYS 54 -0.214 2.341 14.473 771 HE2 LYS 54 2HE LYS 54 2.780 2.241 14.530 772 HE3 LYS 54 1HE LYS 54 1.789 2.502 15.963 773 HZ1 LYS 54 1HZ LYS 54 0.737 0.378 15.618 774 HZ2 LYS 54 2HZ LYS 54 2.418 0.166 15.671 775 HZ3 LYS 54 3HZ LYS 54 1.607 0.131 14.187 776 H ILE 55 H ILE 55 -0.746 5.875 10.946 777 HA ILE 55 HA ILE 55 0.731 6.769 8.533 778 HB ILE 55 HB ILE 55 -1.261 8.409 8.241 779 HG12 ILE 55 2HG1 ILE 55 -2.426 6.298 10.024 780 HG13 ILE 55 1HG1 ILE 55 -2.335 8.024 10.309 781 HG21 ILE 55 1HG2 ILE 55 -0.788 6.638 6.623 782 HG22 ILE 55 2HG2 ILE 55 -2.527 6.801 6.870 783 HG23 ILE 55 3HG2 ILE 55 -1.649 5.477 7.634 784 HD11 ILE 55 1HD1 ILE 55 -3.988 8.416 8.617 785 HD12 ILE 55 2HD1 ILE 55 -4.576 7.270 9.822 786 HD13 ILE 55 3HD1 ILE 55 -4.042 6.695 8.242 787 H SER 56 H SER 56 1.935 8.666 8.924 788 HA SER 56 HA SER 56 1.782 9.748 11.564 789 HB2 SER 56 2HB SER 56 3.496 11.266 10.964 790 HB3 SER 56 1HB SER 56 3.857 9.821 10.024 791 HG SER 56 HG SER 56 3.718 12.143 9.054 792 HA PRO 57 HA PRO 57 -2.155 11.561 10.830 793 HB2 PRO 57 2HB PRO 57 -2.178 12.940 13.204 794 HB3 PRO 57 1HB PRO 57 -2.587 11.231 13.023 795 HG2 PRO 57 2HG PRO 57 0.006 12.478 13.853 796 HG3 PRO 57 1HG PRO 57 -0.847 11.088 14.558 797 HD2 PRO 57 2HD PRO 57 1.211 10.719 12.936 798 HD3 PRO 57 1HD PRO 57 -0.219 9.673 12.834 799 H GLU 58 H GLU 58 -3.153 13.706 10.902 800 HA GLU 58 HA GLU 58 -1.677 15.702 9.609 801 HB2 GLU 58 2HB GLU 58 -3.925 16.810 11.073 802 HB3 GLU 58 1HB GLU 58 -3.689 16.674 9.340 803 HG2 GLU 58 2HG GLU 58 -4.798 14.531 11.143 804 HG3 GLU 58 1HG GLU 58 -5.731 15.566 10.066 805 H GLY 59 H GLY 59 -0.779 17.619 10.384 806 HA2 GLY 59 2HA GLY 59 -0.402 19.155 12.260 807 HA3 GLY 59 1HA GLY 59 -0.397 17.741 13.310 808 H LYS 60 H LYS 60 1.131 16.078 11.506 809 HA LYS 60 HA LYS 60 3.775 16.983 12.157 810 HB2 LYS 60 2HB LYS 60 2.633 14.589 10.778 811 HB3 LYS 60 1HB LYS 60 4.302 15.000 10.431 812 HG2 LYS 60 2HG LYS 60 4.592 14.986 13.009 813 HG3 LYS 60 1HG LYS 60 3.078 14.074 13.002 814 HD2 LYS 60 2HD LYS 60 4.002 12.321 11.757 815 HD3 LYS 60 1HD LYS 60 5.372 13.292 11.230 816 HE2 LYS 60 2HE LYS 60 4.879 12.303 14.033 817 HE3 LYS 60 1HE LYS 60 6.009 11.599 12.883 818 HZ1 LYS 60 1HZ LYS 60 7.241 13.695 12.892 819 HZ2 LYS 60 2HZ LYS 60 7.156 12.990 14.440 820 HZ3 LYS 60 3HZ LYS 60 6.172 14.315 14.055 821 H ALA 61 H ALA 61 5.301 17.854 10.740 822 HA ALA 61 HA ALA 61 4.269 19.334 8.541 823 HB1 ALA 61 1HB ALA 61 7.160 18.804 9.235 824 HB2 ALA 61 2HB ALA 61 6.175 20.090 9.931 825 HB3 ALA 61 3HB ALA 61 6.540 20.096 8.207 826 H LYS 62 H LYS 62 5.222 16.154 8.874 827 HA LYS 62 HA LYS 62 5.442 15.845 5.969 828 HB2 LYS 62 2HB LYS 62 7.055 14.410 8.092 829 HB3 LYS 62 1HB LYS 62 7.046 13.978 6.386 830 HG2 LYS 62 2HG LYS 62 8.057 16.042 5.772 831 HG3 LYS 62 1HG LYS 62 7.846 16.696 7.395 832 HD2 LYS 62 2HD LYS 62 10.167 16.000 6.946 833 HD3 LYS 62 1HD LYS 62 9.441 15.102 8.280 834 HE2 LYS 62 2HE LYS 62 9.430 13.143 7.134 835 HE3 LYS 62 1HE LYS 62 9.184 13.929 5.576 836 HZ1 LYS 62 1HZ LYS 62 11.534 14.676 5.708 837 HZ2 LYS 62 2HZ LYS 62 11.348 12.994 5.595 838 HZ3 LYS 62 3HZ LYS 62 11.725 13.706 7.089 839 H ILE 63 H ILE 63 3.476 15.050 5.521 840 HA ILE 63 HA ILE 63 2.038 13.237 7.204 841 HB ILE 63 HB ILE 63 1.581 13.860 4.278 842 HG12 ILE 63 2HG1 ILE 63 -0.071 15.138 6.379 843 HG13 ILE 63 1HG1 ILE 63 1.587 15.713 6.247 844 HG21 ILE 63 1HG2 ILE 63 0.377 11.896 4.959 845 HG22 ILE 63 2HG2 ILE 63 -0.763 13.235 4.809 846 HG23 ILE 63 3HG2 ILE 63 -0.221 12.713 6.404 847 HD11 ILE 63 1HD1 ILE 63 0.095 17.082 4.934 848 HD12 ILE 63 2HD1 ILE 63 -0.459 15.663 4.045 849 HD13 ILE 63 3HD1 ILE 63 1.210 16.211 3.882 850 H GLN 64 H GLN 64 2.485 11.055 7.406 851 HA GLN 64 HA GLN 64 3.644 9.768 4.997 852 HB2 GLN 64 2HB GLN 64 4.829 9.491 7.762 853 HB3 GLN 64 1HB GLN 64 5.413 8.721 6.295 854 HG2 GLN 64 2HG GLN 64 6.086 10.826 5.381 855 HG3 GLN 64 1HG GLN 64 5.324 11.700 6.709 856 HE21 GLN 64 1HE2 GLN 64 6.220 9.837 8.726 857 HE22 GLN 64 2HE2 GLN 64 7.910 10.108 8.941 858 H LEU 65 H LEU 65 3.908 7.405 5.242 859 HA LEU 65 HA LEU 65 1.751 6.217 6.865 860 HB2 LEU 65 2HB LEU 65 1.371 6.144 4.381 861 HB3 LEU 65 1HB LEU 65 2.832 5.183 4.239 862 HG LEU 65 HG LEU 65 1.541 3.691 6.046 863 HD11 LEU 65 1HD1 LEU 65 -0.412 5.091 6.165 864 HD12 LEU 65 2HD1 LEU 65 -0.820 3.526 5.465 865 HD13 LEU 65 3HD1 LEU 65 -0.656 4.940 4.425 866 HD21 LEU 65 1HD2 LEU 65 1.062 3.577 3.082 867 HD22 LEU 65 2HD2 LEU 65 0.821 2.256 4.227 868 HD23 LEU 65 3HD2 LEU 65 2.441 2.894 3.943 869 H GLN 66 H GLN 66 2.259 4.350 7.980 870 HA GLN 66 HA GLN 66 5.070 3.475 7.873 871 HB2 GLN 66 2HB GLN 66 4.475 4.798 9.908 872 HB3 GLN 66 1HB GLN 66 3.290 3.566 10.311 873 HG2 GLN 66 2HG GLN 66 4.957 1.940 10.680 874 HG3 GLN 66 1HG GLN 66 6.206 2.953 9.957 875 HE21 GLN 66 1HE2 GLN 66 7.036 4.669 11.112 876 HE22 GLN 66 2HE2 GLN 66 6.835 4.820 12.825 877 H LEU 67 H LEU 67 5.265 1.430 7.272 878 HA LEU 67 HA LEU 67 2.949 -0.348 7.490 879 HB2 LEU 67 2HB LEU 67 5.537 -0.526 5.963 880 HB3 LEU 67 1HB LEU 67 4.428 -1.877 6.095 881 HG LEU 67 HG LEU 67 3.861 0.783 4.795 882 HD11 LEU 67 1HD1 LEU 67 4.174 -2.003 3.688 883 HD12 LEU 67 2HD1 LEU 67 5.307 -0.666 3.491 884 HD13 LEU 67 3HD1 LEU 67 3.704 -0.579 2.761 885 HD21 LEU 67 1HD2 LEU 67 1.706 -0.158 4.189 886 HD22 LEU 67 2HD2 LEU 67 1.882 -0.125 5.943 887 HD23 LEU 67 3HD2 LEU 67 2.083 -1.640 5.065 888 H VAL 68 H VAL 68 2.853 -1.383 9.415 889 HA VAL 68 HA VAL 68 5.348 -2.196 10.689 890 HB VAL 68 HB VAL 68 2.506 -2.450 11.703 891 HG11 VAL 68 1HG1 VAL 68 3.987 -4.191 12.600 892 HG12 VAL 68 2HG1 VAL 68 3.530 -3.027 13.844 893 HG13 VAL 68 3HG1 VAL 68 5.132 -2.949 13.110 894 HG21 VAL 68 1HG2 VAL 68 4.730 -0.563 12.461 895 HG22 VAL 68 2HG2 VAL 68 3.153 -0.663 13.245 896 HG23 VAL 68 3HG2 VAL 68 3.271 -0.142 11.564 897 H LEU 69 H LEU 69 6.189 -3.985 9.942 898 HA LEU 69 HA LEU 69 4.660 -5.973 8.616 899 HB2 LEU 69 2HB LEU 69 7.510 -6.073 9.566 900 HB3 LEU 69 1HB LEU 69 6.755 -7.223 8.478 901 HG LEU 69 HG LEU 69 7.754 -4.492 7.950 902 HD11 LEU 69 1HD1 LEU 69 7.569 -7.041 6.381 903 HD12 LEU 69 2HD1 LEU 69 8.994 -6.383 7.185 904 HD13 LEU 69 3HD1 LEU 69 8.303 -5.551 5.792 905 HD21 LEU 69 1HD2 LEU 69 5.390 -5.594 6.460 906 HD22 LEU 69 2HD2 LEU 69 6.341 -4.181 6.001 907 HD23 LEU 69 3HD2 LEU 69 5.399 -4.163 7.492 908 H HIS 70 H HIS 70 5.045 -8.360 9.257 909 HA HIS 70 HA HIS 70 3.540 -8.872 11.529 910 HB2 HIS 70 2HB HIS 70 5.331 -10.650 9.902 911 HB3 HIS 70 1HB HIS 70 4.374 -11.259 11.251 912 HD1 HIS 70 1HD HIS 70 1.818 -9.441 10.572 913 HD2 HIS 70 2HD HIS 70 3.881 -11.899 7.946 914 HE1 HIS 70 1HE HIS 70 0.216 -9.982 8.698 915 H ALA 71 H ALA 71 7.090 -9.154 11.219 916 HA ALA 71 HA ALA 71 7.421 -10.134 13.874 917 HB1 ALA 71 1HB ALA 71 9.056 -10.537 12.083 918 HB2 ALA 71 2HB ALA 71 9.793 -9.810 13.511 919 HB3 ALA 71 3HB ALA 71 9.465 -8.821 12.089 920 H GLY 72 H GLY 72 7.070 -6.989 12.530 921 HA2 GLY 72 2HA GLY 72 6.385 -5.256 14.181 922 HA3 GLY 72 1HA GLY 72 7.754 -5.795 15.150 923 H ASP 73 H ASP 73 7.902 -5.665 11.742 924 HA ASP 73 HA ASP 73 10.115 -3.810 11.786 925 HB2 ASP 73 2HB ASP 73 8.847 -4.917 9.295 926 HB3 ASP 73 1HB ASP 73 10.534 -4.542 9.590 927 H THR 74 H THR 74 10.053 -1.919 10.226 928 HA THR 74 HA THR 74 7.351 -1.034 9.619 929 HB THR 74 HB THR 74 8.094 1.276 10.650 930 HG1 THR 74 1HG THR 74 9.514 -0.616 12.243 931 HG21 THR 74 1HG2 THR 74 6.914 0.741 12.691 932 HG22 THR 74 2HG2 THR 74 7.160 -0.984 12.410 933 HG23 THR 74 3HG2 THR 74 6.127 -0.051 11.324 934 H THR 75 H THR 75 7.228 0.016 7.785 935 HA THR 75 HA THR 75 9.680 1.139 6.598 936 HB THR 75 HB THR 75 7.314 0.448 4.910 937 HG1 THR 75 1HG THR 75 8.841 -1.694 4.896 938 HG21 THR 75 1HG2 THR 75 9.302 1.537 3.950 939 HG22 THR 75 2HG2 THR 75 9.051 -0.071 3.273 940 HG23 THR 75 3HG2 THR 75 10.296 0.187 4.494 941 H ASN 76 H ASN 76 9.655 3.309 6.389 942 HA ASN 76 HA ASN 76 7.080 4.682 6.707 943 HB2 ASN 76 2HB ASN 76 9.882 5.363 7.422 944 HB3 ASN 76 1HB ASN 76 8.814 6.690 6.978 945 HD21 ASN 76 1HD2 ASN 76 9.957 6.361 9.507 946 HD22 ASN 76 2HD2 ASN 76 8.671 6.104 10.628 947 H PHE 77 H PHE 77 6.217 5.871 5.165 948 HA PHE 77 HA PHE 77 7.873 6.565 2.826 949 HB2 PHE 77 2HB PHE 77 4.969 5.704 2.849 950 HB3 PHE 77 1HB PHE 77 5.841 6.274 1.430 951 HD1 PHE 77 1HD PHE 77 8.100 4.971 0.965 952 HD2 PHE 77 2HD PHE 77 4.796 3.441 3.166 953 HE1 PHE 77 1HE PHE 77 8.861 2.678 0.505 954 HE2 PHE 77 2HE PHE 77 5.551 1.145 2.710 955 HZ PHE 77 HZ PHE 77 7.586 0.762 1.377 956 H HIS 78 H HIS 78 8.159 8.697 2.840 957 HA HIS 78 HA HIS 78 6.214 10.445 4.098 958 HB2 HIS 78 2HB HIS 78 8.519 10.916 4.579 959 HB3 HIS 78 1HB HIS 78 8.931 10.939 2.870 960 HD1 HIS 78 1HD HIS 78 9.886 13.362 3.076 961 HD2 HIS 78 2HD HIS 78 5.862 13.014 4.051 962 HE1 HIS 78 1HE HIS 78 8.959 15.712 3.126 963 H PHE 79 H PHE 79 4.594 11.313 3.033 964 HA PHE 79 HA PHE 79 4.601 11.350 0.130 965 HB2 PHE 79 2HB PHE 79 2.484 12.122 2.153 966 HB3 PHE 79 1HB PHE 79 2.249 12.134 0.407 967 HD1 PHE 79 1HD PHE 79 1.846 10.128 -0.793 968 HD2 PHE 79 2HD PHE 79 2.850 9.983 3.338 969 HE1 PHE 79 1HE PHE 79 1.208 7.752 -0.723 970 HE2 PHE 79 2HE PHE 79 2.214 7.609 3.414 971 HZ PHE 79 HZ PHE 79 1.385 6.493 1.381 972 H SER 80 H SER 80 6.239 12.870 -0.180 973 HA SER 80 HA SER 80 5.998 15.532 0.892 974 HB2 SER 80 2HB SER 80 8.012 15.754 -0.856 975 HB3 SER 80 1HB SER 80 8.218 15.039 0.741 976 HG SER 80 HG SER 80 7.436 13.406 -1.409 977 H ASN 81 H ASN 81 4.209 14.177 -1.381 978 HA ASN 81 HA ASN 81 4.478 16.113 -3.505 979 HB2 ASN 81 2HB ASN 81 3.520 13.627 -3.550 980 HB3 ASN 81 1HB ASN 81 2.008 14.455 -3.202 981 HD21 ASN 81 1HD2 ASN 81 2.932 16.851 -4.760 982 HD22 ASN 81 2HD2 ASN 81 2.712 16.394 -6.406 983 H GLU 82 H GLU 82 4.198 18.090 -2.579 984 HA GLU 82 HA GLU 82 2.472 18.964 -0.665 985 HB2 GLU 82 2HB GLU 82 2.512 21.151 -2.263 986 HB3 GLU 82 1HB GLU 82 3.813 20.688 -1.179 987 HG2 GLU 82 2HG GLU 82 4.576 21.327 -3.441 988 HG3 GLU 82 1HG GLU 82 5.048 19.696 -2.972 989 H SER 83 H SER 83 1.674 18.460 -4.057 990 HA SER 83 HA SER 83 -0.731 19.841 -4.168 991 HB2 SER 83 2HB SER 83 -0.579 17.309 -5.688 992 HB3 SER 83 1HB SER 83 -0.931 18.944 -6.244 993 HG SER 83 HG SER 83 1.451 19.290 -5.742 994 H THR 84 H THR 84 -0.388 16.293 -3.673 995 HA THR 84 HA THR 84 -2.900 16.410 -2.149 996 HB THR 84 HB THR 84 -3.186 13.996 -3.275 997 HG1 THR 84 1HG THR 84 -1.392 14.109 -4.637 998 HG21 THR 84 1HG2 THR 84 -3.988 16.614 -4.549 999 HG22 THR 84 2HG2 THR 84 -4.863 15.771 -3.270 1000 HG23 THR 84 3HG2 THR 84 -4.727 15.046 -4.873 1001 H ALA 85 H ALA 85 -0.320 16.310 -1.008 1002 HA ALA 85 HA ALA 85 0.754 13.855 -0.384 1003 HB1 ALA 85 1HB ALA 85 1.617 14.870 1.659 1004 HB2 ALA 85 2HB ALA 85 0.488 16.212 1.478 1005 HB3 ALA 85 3HB ALA 85 1.769 15.969 0.289 1006 H VAL 86 H VAL 86 -1.809 15.537 1.400 1007 HA VAL 86 HA VAL 86 -2.171 13.613 3.393 1008 HB VAL 86 HB VAL 86 -4.124 15.612 2.257 1009 HG11 VAL 86 1HG1 VAL 86 -5.399 15.308 4.340 1010 HG12 VAL 86 2HG1 VAL 86 -4.318 13.992 4.797 1011 HG13 VAL 86 3HG1 VAL 86 -5.351 13.832 3.376 1012 HG21 VAL 86 1HG2 VAL 86 -3.584 16.905 4.274 1013 HG22 VAL 86 2HG2 VAL 86 -2.180 16.652 3.237 1014 HG23 VAL 86 3HG2 VAL 86 -2.376 15.695 4.706 1015 H LYS 87 H LYS 87 -4.119 14.130 0.431 1016 HA LYS 87 HA LYS 87 -5.694 11.830 0.940 1017 HB2 LYS 87 2HB LYS 87 -5.803 14.010 -0.856 1018 HB3 LYS 87 1HB LYS 87 -5.897 12.529 -1.806 1019 HG2 LYS 87 2HG LYS 87 -8.085 13.549 -0.942 1020 HG3 LYS 87 1HG LYS 87 -7.840 11.814 -0.733 1021 HD2 LYS 87 2HD LYS 87 -6.738 12.899 1.559 1022 HD3 LYS 87 1HD LYS 87 -8.153 13.912 1.268 1023 HE2 LYS 87 2HE LYS 87 -9.621 12.070 1.368 1024 HE3 LYS 87 1HE LYS 87 -8.303 10.910 1.213 1025 HZ1 LYS 87 1HZ LYS 87 -8.913 10.862 3.464 1026 HZ2 LYS 87 2HZ LYS 87 -9.019 12.547 3.574 1027 HZ3 LYS 87 3HZ LYS 87 -7.501 11.804 3.430 1028 H GLU 88 H GLU 88 -2.749 12.274 -0.995 1029 HA GLU 88 HA GLU 88 -3.027 9.756 -2.305 1030 HB2 GLU 88 2HB GLU 88 -0.653 11.556 -1.851 1031 HB3 GLU 88 1HB GLU 88 -0.465 9.968 -2.574 1032 HG2 GLU 88 2HG GLU 88 -2.033 10.594 -4.343 1033 HG3 GLU 88 1HG GLU 88 -2.194 12.195 -3.625 1034 H ARG 89 H ARG 89 -1.706 10.838 0.738 1035 HA ARG 89 HA ARG 89 -0.487 8.418 1.536 1036 HB2 ARG 89 2HB ARG 89 0.066 10.358 2.796 1037 HB3 ARG 89 1HB ARG 89 -1.622 10.772 3.050 1038 HG2 ARG 89 2HG ARG 89 -0.844 8.179 4.165 1039 HG3 ARG 89 1HG ARG 89 -0.010 9.561 4.876 1040 HD2 ARG 89 2HD ARG 89 -2.812 10.136 4.560 1041 HD3 ARG 89 1HD ARG 89 -2.595 8.633 5.456 1042 HE ARG 89 HE ARG 89 -0.870 10.284 6.684 1043 HH11 ARG 89 1HH1 ARG 89 -4.268 10.639 5.846 1044 HH12 ARG 89 2HH1 ARG 89 -4.588 11.737 7.157 1045 HH21 ARG 89 1HH2 ARG 89 -1.327 11.707 8.419 1046 HH22 ARG 89 2HH2 ARG 89 -2.953 12.321 8.619 1047 H ASP 90 H ASP 90 -3.683 9.784 1.917 1048 HA ASP 90 HA ASP 90 -4.797 7.665 3.427 1049 HB2 ASP 90 2HB ASP 90 -6.028 9.875 1.788 1050 HB3 ASP 90 1HB ASP 90 -6.995 8.697 2.673 1051 H ALA 91 H ALA 91 -4.472 8.270 -0.024 1052 HA ALA 91 HA ALA 91 -6.270 6.300 -0.924 1053 HB1 ALA 91 1HB ALA 91 -5.398 8.010 -2.417 1054 HB2 ALA 91 2HB ALA 91 -5.018 6.407 -3.045 1055 HB3 ALA 91 3HB ALA 91 -3.768 7.359 -2.244 1056 H VAL 92 H VAL 92 -2.852 6.216 -0.069 1057 HA VAL 92 HA VAL 92 -2.456 3.468 -0.761 1058 HB VAL 92 HB VAL 92 -0.875 5.281 1.082 1059 HG11 VAL 92 1HG1 VAL 92 -0.464 2.945 1.626 1060 HG12 VAL 92 2HG1 VAL 92 0.947 3.659 0.845 1061 HG13 VAL 92 3HG1 VAL 92 -0.124 2.597 -0.069 1062 HG21 VAL 92 1HG2 VAL 92 -0.415 4.490 -1.787 1063 HG22 VAL 92 2HG2 VAL 92 0.691 5.444 -0.799 1064 HG23 VAL 92 3HG2 VAL 92 -0.903 6.080 -1.204 1065 H LYS 93 H LYS 93 -3.302 5.291 2.054 1066 HA LYS 93 HA LYS 93 -3.131 3.282 4.001 1067 HB2 LYS 93 2HB LYS 93 -3.204 5.368 4.920 1068 HB3 LYS 93 1HB LYS 93 -4.320 5.977 3.715 1069 HG2 LYS 93 2HG LYS 93 -6.152 4.777 4.843 1070 HG3 LYS 93 1HG LYS 93 -5.011 4.272 6.093 1071 HD2 LYS 93 2HD LYS 93 -4.949 6.315 7.045 1072 HD3 LYS 93 1HD LYS 93 -5.039 7.151 5.494 1073 HE2 LYS 93 2HE LYS 93 -7.426 5.701 6.533 1074 HE3 LYS 93 1HE LYS 93 -7.016 7.286 7.190 1075 HZ1 LYS 93 1HZ LYS 93 -7.753 6.584 4.402 1076 HZ2 LYS 93 2HZ LYS 93 -6.949 8.034 4.777 1077 HZ3 LYS 93 3HZ LYS 93 -8.477 7.725 5.430 1078 H ASP 94 H ASP 94 -5.931 4.566 2.228 1079 HA ASP 94 HA ASP 94 -7.816 2.777 3.311 1080 HB2 ASP 94 2HB ASP 94 -7.742 4.703 1.056 1081 HB3 ASP 94 1HB ASP 94 -8.998 3.473 1.017 1082 H LEU 95 H LEU 95 -5.826 2.622 0.422 1083 HA LEU 95 HA LEU 95 -7.107 0.265 -0.591 1084 HB2 LEU 95 2HB LEU 95 -5.713 1.973 -1.918 1085 HB3 LEU 95 1HB LEU 95 -4.307 1.139 -1.282 1086 HG LEU 95 HG LEU 95 -5.036 -0.941 -2.357 1087 HD11 LEU 95 1HD1 LEU 95 -7.304 0.726 -3.436 1088 HD12 LEU 95 2HD1 LEU 95 -7.439 -0.599 -2.280 1089 HD13 LEU 95 3HD1 LEU 95 -6.912 -0.921 -3.932 1090 HD21 LEU 95 1HD2 LEU 95 -4.724 -0.235 -4.701 1091 HD22 LEU 95 2HD2 LEU 95 -3.560 0.506 -3.602 1092 HD23 LEU 95 3HD2 LEU 95 -4.930 1.443 -4.199 1093 H LEU 96 H LEU 96 -4.612 0.938 1.710 1094 HA LEU 96 HA LEU 96 -3.522 -1.698 1.716 1095 HB2 LEU 96 2HB LEU 96 -3.278 0.708 3.440 1096 HB3 LEU 96 1HB LEU 96 -2.866 -0.840 4.154 1097 HG LEU 96 HG LEU 96 -1.638 0.259 1.625 1098 HD11 LEU 96 1HD1 LEU 96 0.341 0.654 2.994 1099 HD12 LEU 96 2HD1 LEU 96 -0.554 0.159 4.431 1100 HD13 LEU 96 3HD1 LEU 96 -1.032 1.609 3.548 1101 HD21 LEU 96 1HD2 LEU 96 -0.002 -1.529 1.940 1102 HD22 LEU 96 2HD2 LEU 96 -1.631 -2.173 1.731 1103 HD23 LEU 96 3HD2 LEU 96 -0.907 -2.111 3.339 1104 H GLN 97 H GLN 97 -5.663 0.004 4.128 1105 HA GLN 97 HA GLN 97 -6.449 -2.237 5.508 1106 HB2 GLN 97 2HB GLN 97 -8.762 -0.894 5.556 1107 HB3 GLN 97 1HB GLN 97 -7.349 -0.380 6.470 1108 HG2 GLN 97 2HG GLN 97 -6.870 0.910 4.207 1109 HG3 GLN 97 1HG GLN 97 -8.624 0.790 4.085 1110 HE21 GLN 97 1HE2 GLN 97 -7.220 0.873 7.187 1111 HE22 GLN 97 2HE2 GLN 97 -7.633 2.509 7.565 1112 H GLN 98 H GLN 98 -7.143 -1.451 2.264 1113 HA GLN 98 HA GLN 98 -9.395 -3.224 1.981 1114 HB2 GLN 98 2HB GLN 98 -7.788 -1.463 0.180 1115 HB3 GLN 98 1HB GLN 98 -8.774 -2.719 -0.544 1116 HG2 GLN 98 2HG GLN 98 -9.540 -0.162 0.542 1117 HG3 GLN 98 1HG GLN 98 -10.445 -1.265 -0.495 1118 HE21 GLN 98 1HE2 GLN 98 -11.768 -2.814 0.444 1119 HE22 GLN 98 2HE2 GLN 98 -12.292 -2.698 2.083 1120 H LEU 99 H LEU 99 -6.010 -3.212 0.864 1121 HA LEU 99 HA LEU 99 -6.262 -5.915 -0.155 1122 HB2 LEU 99 2HB LEU 99 -4.090 -3.855 -0.215 1123 HB3 LEU 99 1HB LEU 99 -3.822 -5.498 -0.772 1124 HG LEU 99 HG LEU 99 -6.052 -3.819 -1.874 1125 HD11 LEU 99 1HD1 LEU 99 -4.552 -3.271 -3.751 1126 HD12 LEU 99 2HD1 LEU 99 -3.205 -3.962 -2.846 1127 HD13 LEU 99 3HD1 LEU 99 -4.039 -2.535 -2.232 1128 HD21 LEU 99 1HD2 LEU 99 -5.892 -5.341 -3.736 1129 HD22 LEU 99 2HD2 LEU 99 -6.093 -6.246 -2.235 1130 HD23 LEU 99 3HD2 LEU 99 -4.505 -6.140 -2.996 1131 H LEU 100 H LEU 100 -4.879 -4.407 2.680 1132 HA LEU 100 HA LEU 100 -2.970 -6.327 3.345 1133 HB2 LEU 100 2HB LEU 100 -4.528 -4.348 4.952 1134 HB3 LEU 100 1HB LEU 100 -3.544 -5.542 5.779 1135 HG LEU 100 HG LEU 100 -2.477 -3.646 3.688 1136 HD11 LEU 100 1HD1 LEU 100 -3.239 -2.391 5.664 1137 HD12 LEU 100 2HD1 LEU 100 -1.483 -2.373 5.513 1138 HD13 LEU 100 3HD1 LEU 100 -2.254 -3.429 6.695 1139 HD21 LEU 100 1HD2 LEU 100 -0.297 -4.329 4.608 1140 HD22 LEU 100 2HD2 LEU 100 -1.187 -5.670 3.884 1141 HD23 LEU 100 3HD2 LEU 100 -1.125 -5.499 5.638 1142 HA PRO 101 HA PRO 101 -6.305 -8.675 5.983 1143 HB2 PRO 101 2HB PRO 101 -8.902 -8.350 5.198 1144 HB3 PRO 101 1HB PRO 101 -8.151 -7.432 6.507 1145 HG2 PRO 101 2HG PRO 101 -8.597 -6.646 3.654 1146 HG3 PRO 101 1HG PRO 101 -8.839 -5.692 5.131 1147 HD2 PRO 101 2HD PRO 101 -6.661 -5.376 3.592 1148 HD3 PRO 101 1HD PRO 101 -6.580 -5.240 5.361 1149 H LYS 102 H LYS 102 -6.552 -8.063 2.582 1150 HA LYS 102 HA LYS 102 -7.880 -10.391 1.741 1151 HB2 LYS 102 2HB LYS 102 -7.638 -8.625 0.170 1152 HB3 LYS 102 1HB LYS 102 -5.897 -8.560 0.394 1153 HG2 LYS 102 2HG LYS 102 -5.982 -10.999 -0.548 1154 HG3 LYS 102 1HG LYS 102 -7.536 -10.472 -1.198 1155 HD2 LYS 102 2HD LYS 102 -6.547 -8.808 -2.521 1156 HD3 LYS 102 1HD LYS 102 -5.044 -8.844 -1.598 1157 HE2 LYS 102 2HE LYS 102 -4.635 -11.137 -2.448 1158 HE3 LYS 102 1HE LYS 102 -6.079 -10.990 -3.447 1159 HZ1 LYS 102 1HZ LYS 102 -4.077 -8.881 -3.713 1160 HZ2 LYS 102 2HZ LYS 102 -5.041 -9.613 -4.893 1161 HZ3 LYS 102 3HZ LYS 102 -3.653 -10.402 -4.330 1162 H PHE 103 H PHE 103 -4.600 -9.817 2.753 1163 HA PHE 103 HA PHE 103 -3.772 -12.453 1.800 1164 HB2 PHE 103 2HB PHE 103 -2.276 -10.035 2.764 1165 HB3 PHE 103 1HB PHE 103 -1.492 -11.613 2.706 1166 HD1 PHE 103 1HD PHE 103 -3.284 -9.114 0.650 1167 HD2 PHE 103 2HD PHE 103 -0.646 -12.450 0.698 1168 HE1 PHE 103 1HE PHE 103 -2.827 -8.779 -1.740 1169 HE2 PHE 103 2HE PHE 103 -0.184 -12.120 -1.696 1170 HZ PHE 103 HZ PHE 103 -1.274 -10.283 -2.915 1171 H LYS 104 H LYS 104 -5.194 -11.235 4.506 1172 HA LYS 104 HA LYS 104 -3.900 -13.272 6.208 1173 HB2 LYS 104 2HB LYS 104 -5.293 -10.805 7.248 1174 HB3 LYS 104 1HB LYS 104 -4.251 -11.911 8.131 1175 HG2 LYS 104 2HG LYS 104 -2.314 -11.063 7.140 1176 HG3 LYS 104 1HG LYS 104 -3.215 -10.278 5.841 1177 HD2 LYS 104 2HD LYS 104 -4.307 -8.921 7.763 1178 HD3 LYS 104 1HD LYS 104 -2.911 -9.455 8.703 1179 HE2 LYS 104 2HE LYS 104 -1.397 -8.396 7.213 1180 HE3 LYS 104 1HE LYS 104 -2.667 -8.103 6.026 1181 HZ1 LYS 104 1HZ LYS 104 -2.256 -6.077 7.150 1182 HZ2 LYS 104 2HZ LYS 104 -2.345 -6.801 8.672 1183 HZ3 LYS 104 3HZ LYS 104 -3.744 -6.648 7.723 1184 H ARG 105 H ARG 105 -5.254 -14.966 6.319 1185 HA ARG 105 HA ARG 105 -8.117 -14.397 6.715 1186 HB2 ARG 105 2HB ARG 105 -6.870 -16.649 5.127 1187 HB3 ARG 105 1HB ARG 105 -8.574 -16.570 5.548 1188 HG2 ARG 105 2HG ARG 105 -7.155 -14.464 3.933 1189 HG3 ARG 105 1HG ARG 105 -8.017 -15.832 3.229 1190 HD2 ARG 105 2HD ARG 105 -9.621 -14.170 3.170 1191 HD3 ARG 105 1HD ARG 105 -10.003 -14.994 4.680 1192 HE ARG 105 HE ARG 105 -8.255 -12.981 5.361 1193 HH11 ARG 105 1HH1 ARG 105 -11.399 -13.123 3.809 1194 HH12 ARG 105 2HH1 ARG 105 -11.889 -11.550 4.380 1195 HH21 ARG 105 1HH2 ARG 105 -8.907 -10.953 6.117 1196 HH22 ARG 105 2HH2 ARG 105 -10.485 -10.327 5.709 1197 H LYS 106 H LYS 106 -8.554 -14.820 8.770 1198 HA LYS 106 HA LYS 106 -7.650 -17.384 9.880 1199 HB2 LYS 106 2HB LYS 106 -6.323 -15.323 10.700 1200 HB3 LYS 106 1HB LYS 106 -7.790 -14.892 11.566 1201 HG2 LYS 106 2HG LYS 106 -7.704 -17.000 12.785 1202 HG3 LYS 106 1HG LYS 106 -6.247 -17.457 11.901 1203 HD2 LYS 106 2HD LYS 106 -5.374 -16.617 13.873 1204 HD3 LYS 106 1HD LYS 106 -5.306 -15.211 12.811 1205 HE2 LYS 106 2HE LYS 106 -6.252 -14.263 14.665 1206 HE3 LYS 106 1HE LYS 106 -7.705 -14.765 13.803 1207 HZ1 LYS 106 1HZ LYS 106 -8.128 -15.597 15.870 1208 HZ2 LYS 106 2HZ LYS 106 -6.503 -15.901 16.222 1209 HZ3 LYS 106 3HZ LYS 106 -7.355 -16.940 15.188 1210 H ALA 107 H ALA 107 -9.478 -18.499 10.095 1211 HA ALA 107 HA ALA 107 -11.924 -17.108 10.917 1212 HB1 ALA 107 1HB ALA 107 -11.576 -19.887 9.791 1213 HB2 ALA 107 2HB ALA 107 -12.064 -18.459 8.879 1214 HB3 ALA 107 3HB ALA 107 -13.113 -19.098 10.145 1215 H ASN 108 H ASN 108 -9.665 -17.844 12.655 1216 HA ASN 108 HA ASN 108 -11.160 -18.869 14.861 1217 HB2 ASN 108 2HB ASN 108 -10.523 -20.992 13.730 1218 HB3 ASN 108 1HB ASN 108 -8.830 -20.522 13.839 1219 HD21 ASN 108 1HD2 ASN 108 -7.855 -20.409 15.905 1220 HD22 ASN 108 2HD2 ASN 108 -8.494 -21.311 17.234 Start of MODEL 9 1 H ARG 390 2HT ARG 390 26.623 5.970 3.985 2 HA ARG 390 HA ARG 390 25.533 8.701 3.750 3 HB2 ARG 390 2HB ARG 390 27.844 8.344 2.932 4 HB3 ARG 390 1HB ARG 390 27.257 7.068 1.875 5 HG2 ARG 390 2HG ARG 390 26.173 8.554 0.468 6 HG3 ARG 390 1HG ARG 390 26.115 9.826 1.691 7 HD2 ARG 390 2HD ARG 390 28.557 8.840 0.219 8 HD3 ARG 390 1HD ARG 390 27.751 10.393 0.002 9 HE ARG 390 HE ARG 390 28.771 9.789 2.672 10 HH11 ARG 390 1HH1 ARG 390 29.223 11.498 -0.354 11 HH12 ARG 390 2HH1 ARG 390 30.357 12.621 0.312 12 HH21 ARG 390 1HH2 ARG 390 30.223 11.233 3.550 13 HH22 ARG 390 2HH2 ARG 390 30.937 12.471 2.562 14 H ARG 391 H ARG 391 23.433 8.611 3.312 15 HA ARG 391 HA ARG 391 22.427 6.452 1.593 16 HB2 ARG 391 2HB ARG 391 20.153 7.518 2.248 17 HB3 ARG 391 1HB ARG 391 21.016 6.572 3.451 18 HG2 ARG 391 2HG ARG 391 21.976 8.810 4.242 19 HG3 ARG 391 1HG ARG 391 20.693 9.543 3.279 20 HD2 ARG 391 2HD ARG 391 19.005 8.546 4.582 21 HD3 ARG 391 1HD ARG 391 20.138 7.421 5.331 22 HE ARG 391 HE ARG 391 21.152 9.555 6.319 23 HH11 ARG 391 1HH1 ARG 391 17.742 9.099 5.680 24 HH12 ARG 391 2HH1 ARG 391 17.234 10.254 6.879 25 HH21 ARG 391 1HH2 ARG 391 20.493 11.046 7.907 26 HH22 ARG 391 2HH2 ARG 391 18.795 11.372 8.124 27 H ARG 392 H ARG 392 22.224 9.976 1.967 28 HA ARG 392 HA ARG 392 22.101 10.194 -0.963 29 HB2 ARG 392 2HB ARG 392 19.915 10.781 0.270 30 HB3 ARG 392 1HB ARG 392 20.785 12.177 0.895 31 HG2 ARG 392 2HG ARG 392 21.326 12.420 -1.733 32 HG3 ARG 392 1HG ARG 392 19.743 11.647 -1.807 33 HD2 ARG 392 2HD ARG 392 20.334 14.106 -0.174 34 HD3 ARG 392 1HD ARG 392 19.702 14.151 -1.818 35 HE ARG 392 HE ARG 392 18.050 12.496 -0.269 36 HH11 ARG 392 1HH1 ARG 392 18.888 15.876 -0.629 37 HH12 ARG 392 2HH1 ARG 392 17.401 16.458 0.065 38 HH21 ARG 392 1HH2 ARG 392 16.072 13.263 0.581 39 HH22 ARG 392 2HH2 ARG 392 15.798 14.982 0.730 40 H THR 393 H THR 393 22.737 11.910 2.063 41 HA THR 393 HA THR 393 24.994 13.285 0.766 42 HB THR 393 HB THR 393 23.821 14.118 3.405 43 HG1 THR 393 1HG THR 393 22.016 14.113 2.090 44 HG21 THR 393 1HG2 THR 393 25.124 15.655 1.152 45 HG22 THR 393 2HG2 THR 393 25.913 15.157 2.649 46 HG23 THR 393 3HG2 THR 393 24.595 16.328 2.694 47 H GLU 394 H GLU 394 23.919 11.672 3.744 48 HA GLU 394 HA GLU 394 26.311 10.192 4.027 49 HB2 GLU 394 2HB GLU 394 26.951 12.589 4.810 50 HB3 GLU 394 1HB GLU 394 26.007 12.203 6.242 51 HG2 GLU 394 2HG GLU 394 28.647 11.737 6.012 52 HG3 GLU 394 1HG GLU 394 27.575 10.819 7.066 53 H ALA 395 H ALA 395 25.917 10.327 7.078 54 HA ALA 395 HA ALA 395 23.694 8.430 7.100 55 HB1 ALA 395 1HB ALA 395 25.769 8.999 9.214 56 HB2 ALA 395 2HB ALA 395 25.815 7.677 8.047 57 HB3 ALA 395 3HB ALA 395 24.551 7.726 9.275 58 H LEU 396 H LEU 396 24.692 10.251 9.917 59 HA LEU 396 HA LEU 396 22.007 10.959 10.537 60 HB2 LEU 396 2HB LEU 396 23.763 10.528 12.241 61 HB3 LEU 396 1HB LEU 396 24.572 12.000 11.741 62 HG LEU 396 HG LEU 396 22.533 13.280 12.421 63 HD11 LEU 396 1HD1 LEU 396 20.945 11.400 12.257 64 HD12 LEU 396 2HD1 LEU 396 20.876 12.219 13.816 65 HD13 LEU 396 3HD1 LEU 396 21.700 10.667 13.673 66 HD21 LEU 396 1HD2 LEU 396 24.468 13.143 13.882 67 HD22 LEU 396 2HD2 LEU 396 23.880 11.621 14.551 68 HD23 LEU 396 3HD2 LEU 396 22.982 13.113 14.830 69 H GLY 397 H GLY 397 24.857 12.946 9.810 70 HA2 GLY 397 2HA GLY 397 23.245 15.284 9.329 71 HA3 GLY 397 1HA GLY 397 24.989 15.156 9.127 72 H ASP 398 H ASP 398 21.888 14.705 7.629 73 HA ASP 398 HA ASP 398 23.218 14.266 5.045 74 HB2 ASP 398 2HB ASP 398 21.495 12.558 6.063 75 HB3 ASP 398 1HB ASP 398 20.301 13.715 5.484 76 H ALA 399 H ALA 399 20.673 14.879 3.677 77 HA ALA 399 HA ALA 399 21.091 17.697 3.388 78 HB1 ALA 399 1HB ALA 399 19.378 17.515 1.637 79 HB2 ALA 399 2HB ALA 399 19.117 15.836 2.106 80 HB3 ALA 399 3HB ALA 399 20.680 16.339 1.461 81 H GLU 400 H GLU 400 18.206 18.074 2.654 82 HA GLU 400 HA GLU 400 17.458 19.558 4.875 83 HB2 GLU 400 2HB GLU 400 15.498 20.125 3.723 84 HB3 GLU 400 1HB GLU 400 16.693 19.836 2.471 85 HG2 GLU 400 2HG GLU 400 14.671 17.780 3.327 86 HG3 GLU 400 1HG GLU 400 14.387 18.940 2.034 87 H GLU 401 H GLU 401 16.529 19.189 6.702 88 HA GLU 401 HA GLU 401 15.891 17.904 8.504 89 HB2 GLU 401 2HB GLU 401 13.424 17.201 8.166 90 HB3 GLU 401 1HB GLU 401 13.855 18.903 8.171 91 HG2 GLU 401 2HG GLU 401 13.368 19.178 5.973 92 HG3 GLU 401 1HG GLU 401 13.804 17.521 5.553 93 H ASP 402 H ASP 402 13.667 15.860 7.526 94 HA ASP 402 HA ASP 402 14.906 13.663 6.364 95 HB2 ASP 402 2HB ASP 402 16.019 13.955 8.836 96 HB3 ASP 402 1HB ASP 402 14.654 12.904 9.208 97 H GLU 403 H GLU 403 13.678 11.536 7.389 98 HA GLU 403 HA GLU 403 10.856 12.205 7.067 99 HB2 GLU 403 2HB GLU 403 12.521 9.781 6.726 100 HB3 GLU 403 1HB GLU 403 10.887 9.509 7.314 101 HG2 GLU 403 2HG GLU 403 11.077 9.317 4.879 102 HG3 GLU 403 1HG GLU 403 9.958 10.584 5.381 103 H ASP 404 H ASP 404 9.528 12.374 8.758 104 HA ASP 404 HA ASP 404 10.391 12.000 11.421 105 HB2 ASP 404 2HB ASP 404 7.619 12.297 10.224 106 HB3 ASP 404 1HB ASP 404 7.920 12.228 11.954 107 H ASP 405 H ASP 405 10.799 10.049 12.280 108 HA ASP 405 HA ASP 405 9.494 7.704 11.146 109 HB2 ASP 405 2HB ASP 405 11.778 7.963 13.117 110 HB3 ASP 405 1HB ASP 405 11.124 6.426 12.561 111 H GLU 406 H GLU 406 8.621 9.809 13.428 112 HA GLU 406 HA GLU 406 7.318 7.691 14.983 113 HB2 GLU 406 2HB GLU 406 7.195 9.571 16.807 114 HB3 GLU 406 1HB GLU 406 8.629 8.574 16.655 115 HG2 GLU 406 2HG GLU 406 9.035 11.009 17.004 116 HG3 GLU 406 1HG GLU 406 9.836 10.307 15.605 117 H ASP 407 H ASP 407 5.430 8.795 16.268 118 HA ASP 407 HA ASP 407 3.366 9.549 16.173 119 HB2 ASP 407 2HB ASP 407 4.533 11.704 16.240 120 HB3 ASP 407 1HB ASP 407 4.455 11.759 14.483 121 H PHE 408 H PHE 408 3.197 7.514 14.823 122 HA PHE 408 HA PHE 408 1.753 8.245 12.367 123 HB2 PHE 408 2HB PHE 408 3.403 5.751 12.904 124 HB3 PHE 408 1HB PHE 408 2.230 5.858 11.616 125 HD1 PHE 408 1HD PHE 408 2.914 6.483 9.540 126 HD2 PHE 408 2HD PHE 408 5.260 7.621 12.896 127 HE1 PHE 408 1HE PHE 408 4.602 7.422 8.032 128 HE2 PHE 408 2HE PHE 408 6.948 8.565 11.391 129 HZ PHE 408 HZ PHE 408 6.612 8.476 8.960 130 H VAL 409 H VAL 409 -0.268 7.782 12.439 131 HA VAL 409 HA VAL 409 -1.298 6.435 14.774 132 HB VAL 409 HB VAL 409 -3.512 7.266 13.764 133 HG11 VAL 409 1HG1 VAL 409 -2.993 9.491 14.547 134 HG12 VAL 409 2HG1 VAL 409 -1.271 9.152 14.349 135 HG13 VAL 409 3HG1 VAL 409 -2.211 8.277 15.561 136 HG21 VAL 409 1HG2 VAL 409 -2.703 7.585 11.475 137 HG22 VAL 409 2HG2 VAL 409 -1.611 8.836 12.071 138 HG23 VAL 409 3HG2 VAL 409 -3.357 9.058 12.189 139 H GLU 410 H GLU 410 -1.773 4.419 14.800 140 HA GLU 410 HA GLU 410 -1.234 2.730 12.694 141 HB2 GLU 410 2HB GLU 410 -1.311 1.984 15.039 142 HB3 GLU 410 1HB GLU 410 -3.064 2.146 15.030 143 HG2 GLU 410 2HG GLU 410 -3.374 0.288 13.753 144 HG3 GLU 410 1HG GLU 410 -1.829 0.468 12.924 145 H VAL 411 H VAL 411 -2.207 2.339 10.936 146 HA VAL 411 HA VAL 411 -4.977 3.098 10.528 147 HB VAL 411 HB VAL 411 -3.087 1.979 8.436 148 HG11 VAL 411 1HG1 VAL 411 -5.484 2.079 7.891 149 HG12 VAL 411 2HG1 VAL 411 -4.543 3.213 6.921 150 HG13 VAL 411 3HG1 VAL 411 -5.492 3.797 8.289 151 HG21 VAL 411 1HG2 VAL 411 -2.001 3.823 9.480 152 HG22 VAL 411 2HG2 VAL 411 -3.438 4.820 9.246 153 HG23 VAL 411 3HG2 VAL 411 -2.537 4.226 7.850 154 HA PRO 412 HA PRO 412 -5.891 -1.155 11.641 155 HB2 PRO 412 2HB PRO 412 -8.589 -0.851 11.446 156 HB3 PRO 412 1HB PRO 412 -7.651 -0.305 12.843 157 HG2 PRO 412 2HG PRO 412 -8.605 1.271 10.473 158 HG3 PRO 412 1HG PRO 412 -8.692 1.688 12.196 159 HD2 PRO 412 2HD PRO 412 -6.788 2.706 10.622 160 HD3 PRO 412 1HD PRO 412 -6.441 2.243 12.302 161 H GLU 413 H GLU 413 -7.335 -2.839 10.732 162 HA GLU 413 HA GLU 413 -7.100 -2.867 7.826 163 HB2 GLU 413 2HB GLU 413 -7.750 -5.112 9.756 164 HB3 GLU 413 1HB GLU 413 -7.357 -5.286 8.049 165 HG2 GLU 413 2HG GLU 413 -5.114 -4.692 8.386 166 HG3 GLU 413 1HG GLU 413 -5.442 -4.021 9.980 167 H LYS 414 H LYS 414 -8.899 -3.170 6.478 168 HA LYS 414 HA LYS 414 -11.497 -2.945 7.833 169 HB2 LYS 414 2HB LYS 414 -10.397 -1.452 5.515 170 HB3 LYS 414 1HB LYS 414 -12.123 -1.789 5.546 171 HG2 LYS 414 2HG LYS 414 -12.514 -0.285 7.155 172 HG3 LYS 414 1HG LYS 414 -11.062 -0.723 8.057 173 HD2 LYS 414 2HD LYS 414 -10.484 1.389 7.395 174 HD3 LYS 414 1HD LYS 414 -9.860 0.460 6.033 175 HE2 LYS 414 2HE LYS 414 -11.616 1.082 4.641 176 HE3 LYS 414 1HE LYS 414 -12.646 1.562 5.989 177 HZ1 LYS 414 1HZ LYS 414 -10.144 3.030 5.647 178 HZ2 LYS 414 2HZ LYS 414 -11.666 3.588 6.128 179 HZ3 LYS 414 3HZ LYS 414 -11.346 3.316 4.487 180 H GLU 415 H GLU 415 -9.681 -4.369 5.248 181 HA GLU 415 HA GLU 415 -9.969 -6.222 4.003 182 HB2 GLU 415 2HB GLU 415 -11.400 -6.801 6.307 183 HB3 GLU 415 1HB GLU 415 -12.545 -7.131 5.015 184 HG2 GLU 415 2HG GLU 415 -9.976 -8.471 5.666 185 HG3 GLU 415 1HG GLU 415 -11.536 -9.167 5.225 186 H GLY 416 H GLY 416 -13.380 -5.412 4.540 187 HA2 GLY 416 2HA GLY 416 -13.553 -4.622 1.716 188 HA3 GLY 416 1HA GLY 416 -14.607 -5.898 2.307 189 H TYR 417 H TYR 417 -13.702 -2.516 2.866 190 HA TYR 417 HA TYR 417 -16.211 -2.042 4.239 191 HB2 TYR 417 2HB TYR 417 -15.326 -0.040 4.944 192 HB3 TYR 417 1HB TYR 417 -13.861 -0.974 4.707 193 HD1 TYR 417 1HD TYR 417 -13.292 -0.763 1.887 194 HD2 TYR 417 2HD TYR 417 -14.894 2.164 4.519 195 HE1 TYR 417 1HE TYR 417 -12.333 1.009 0.487 196 HE2 TYR 417 2HE TYR 417 -13.946 3.946 3.123 197 HH TYR 417 HH TYR 417 -11.987 4.150 1.486 198 H GLU 418 H GLU 418 -15.364 -2.427 1.184 199 HA GLU 418 HA GLU 418 -16.191 -2.010 -0.850 200 HB2 GLU 418 2HB GLU 418 -18.343 -2.433 0.846 201 HB3 GLU 418 1HB GLU 418 -18.803 -1.022 -0.099 202 HG2 GLU 418 2HG GLU 418 -17.964 -3.709 -1.166 203 HG3 GLU 418 1HG GLU 418 -19.587 -3.020 -1.184 204 HA PRO 419 HA PRO 419 -15.779 2.484 -1.139 205 HB2 PRO 419 2HB PRO 419 -13.772 2.491 -2.926 206 HB3 PRO 419 1HB PRO 419 -13.474 2.212 -1.207 207 HG2 PRO 419 2HG PRO 419 -13.477 0.286 -3.463 208 HG3 PRO 419 1HG PRO 419 -12.547 0.255 -1.956 209 HD2 PRO 419 2HD PRO 419 -14.907 -1.198 -2.528 210 HD3 PRO 419 1HD PRO 419 -14.107 -1.043 -0.953 211 H HIS 420 H HIS 420 -16.766 -0.036 -3.011 212 HA HIS 420 HA HIS 420 -18.123 -0.309 -4.770 213 HB2 HIS 420 2HB HIS 420 -18.623 2.434 -4.087 214 HB3 HIS 420 1HB HIS 420 -18.679 2.209 -5.833 215 HD1 HIS 420 1HD HIS 420 -20.389 0.998 -2.678 216 HD2 HIS 420 2HD HIS 420 -20.819 0.826 -6.808 217 HE1 HIS 420 1HE HIS 420 -22.693 0.056 -3.109 218 H ILE 421 H ILE 421 -18.389 0.137 -7.068 219 HA ILE 421 HA ILE 421 -16.178 1.307 -8.437 220 HB ILE 421 HB ILE 421 -14.904 -0.525 -8.450 221 HG12 ILE 421 2HG1 ILE 421 -15.675 -2.266 -10.210 222 HG13 ILE 421 1HG1 ILE 421 -17.023 -1.160 -10.463 223 HG21 ILE 421 1HG2 ILE 421 -17.310 -2.251 -7.901 224 HG22 ILE 421 2HG2 ILE 421 -16.141 -1.665 -6.717 225 HG23 ILE 421 3HG2 ILE 421 -15.638 -2.811 -7.961 226 HD11 ILE 421 1HD1 ILE 421 -15.217 -0.754 -12.041 227 HD12 ILE 421 2HD1 ILE 421 -14.114 -0.445 -10.698 228 HD13 ILE 421 3HD1 ILE 421 -15.483 0.631 -10.982 229 HA PRO 422 HA PRO 422 -19.610 -0.525 -11.554 230 HB2 PRO 422 2HB PRO 422 -21.810 -0.321 -9.565 231 HB3 PRO 422 1HB PRO 422 -21.609 -1.445 -10.913 232 HG2 PRO 422 2HG PRO 422 -21.150 -2.220 -8.409 233 HG3 PRO 422 1HG PRO 422 -20.135 -2.788 -9.748 234 HD2 PRO 422 2HD PRO 422 -19.535 -0.765 -7.647 235 HD3 PRO 422 1HD PRO 422 -18.446 -1.895 -8.473 236 H ASP 423 H ASP 423 -20.034 1.090 -12.843 237 HA ASP 423 HA ASP 423 -20.186 3.781 -12.080 238 HB2 ASP 423 2HB ASP 423 -20.718 4.217 -14.425 239 HB3 ASP 423 1HB ASP 423 -19.447 3.005 -14.307 240 H HIS 424 H HIS 424 -22.688 1.467 -12.959 241 HA HIS 424 HA HIS 424 -24.851 3.298 -12.832 242 HB2 HIS 424 2HB HIS 424 -26.217 1.114 -12.672 243 HB3 HIS 424 1HB HIS 424 -25.278 1.402 -14.131 244 HD1 HIS 424 1HD HIS 424 -22.906 0.034 -14.244 245 HD2 HIS 424 2HD HIS 424 -25.683 -1.205 -11.391 246 HE1 HIS 424 1HE HIS 424 -22.223 -2.298 -13.536 247 H LEU 425 H LEU 425 -22.931 2.189 -10.408 248 HA LEU 425 HA LEU 425 -25.068 2.550 -8.423 249 HB2 LEU 425 2HB LEU 425 -22.702 0.681 -8.308 250 HB3 LEU 425 1HB LEU 425 -23.702 1.063 -6.920 251 HG LEU 425 HG LEU 425 -24.691 -0.271 -9.442 252 HD11 LEU 425 1HD1 LEU 425 -24.078 -1.424 -6.726 253 HD12 LEU 425 2HD1 LEU 425 -23.183 -1.725 -8.216 254 HD13 LEU 425 3HD1 LEU 425 -24.849 -2.286 -8.057 255 HD21 LEU 425 1HD2 LEU 425 -26.709 -0.712 -8.105 256 HD22 LEU 425 2HD2 LEU 425 -26.429 1.014 -8.342 257 HD23 LEU 425 3HD2 LEU 425 -26.037 0.261 -6.795 258 H ARG 426 H ARG 426 -23.065 4.326 -9.755 259 HA ARG 426 HA ARG 426 -21.485 5.195 -7.443 260 HB2 ARG 426 2HB ARG 426 -21.337 5.848 -10.383 261 HB3 ARG 426 1HB ARG 426 -20.470 6.786 -9.177 262 HG2 ARG 426 2HG ARG 426 -20.069 3.922 -9.965 263 HG3 ARG 426 1HG ARG 426 -18.913 5.254 -10.006 264 HD2 ARG 426 2HD ARG 426 -20.073 4.010 -7.514 265 HD3 ARG 426 1HD ARG 426 -18.468 3.688 -8.166 266 HE ARG 426 HE ARG 426 -19.061 6.481 -7.573 267 HH11 ARG 426 1HH1 ARG 426 -17.599 3.477 -6.515 268 HH12 ARG 426 2HH1 ARG 426 -16.659 4.212 -5.260 269 HH21 ARG 426 1HH2 ARG 426 -17.822 7.479 -5.943 270 HH22 ARG 426 2HH2 ARG 426 -16.772 6.504 -4.948 271 HA PRO 427 HA PRO 427 -24.462 8.468 -6.984 272 HB2 PRO 427 2HB PRO 427 -23.570 9.465 -4.675 273 HB3 PRO 427 1HB PRO 427 -24.315 7.864 -4.750 274 HG2 PRO 427 2HG PRO 427 -21.435 8.608 -4.550 275 HG3 PRO 427 1HG PRO 427 -22.298 7.248 -3.812 276 HD2 PRO 427 2HD PRO 427 -20.743 7.145 -6.142 277 HD3 PRO 427 1HD PRO 427 -21.903 5.913 -5.607 278 H GLU 428 H GLU 428 -21.820 8.818 -8.472 279 HA GLU 428 HA GLU 428 -21.158 11.582 -7.872 280 HB2 GLU 428 2HB GLU 428 -20.000 9.509 -9.714 281 HB3 GLU 428 1HB GLU 428 -19.585 11.206 -9.906 282 HG2 GLU 428 2HG GLU 428 -17.870 10.372 -8.597 283 HG3 GLU 428 1HG GLU 428 -18.945 11.129 -7.425 284 H TYR 429 H TYR 429 -23.248 12.417 -8.410 285 HA TYR 429 HA TYR 429 -23.830 12.472 -11.287 286 HB2 TYR 429 2HB TYR 429 -25.656 13.245 -9.002 287 HB3 TYR 429 1HB TYR 429 -26.098 13.109 -10.701 288 HD1 TYR 429 1HD TYR 429 -26.351 11.524 -7.654 289 HD2 TYR 429 2HD TYR 429 -25.402 10.672 -11.713 290 HE1 TYR 429 1HE TYR 429 -26.943 9.166 -7.292 291 HE2 TYR 429 2HE TYR 429 -25.996 8.313 -11.363 292 HH TYR 429 HH TYR 429 -26.083 6.723 -9.353 293 H GLY 430 H GLY 430 -24.758 14.565 -12.083 294 HA2 GLY 430 2HA GLY 430 -24.907 17.000 -11.536 295 HA3 GLY 430 1HA GLY 430 -23.308 16.824 -10.823 296 H LEU 431 H LEU 431 -23.823 14.955 -13.609 297 HA LEU 431 HA LEU 431 -22.388 16.950 -15.246 298 HB2 LEU 431 2HB LEU 431 -21.313 15.058 -16.403 299 HB3 LEU 431 1HB LEU 431 -20.902 15.124 -14.699 300 HG LEU 431 HG LEU 431 -23.194 13.423 -15.084 301 HD11 LEU 431 1HD1 LEU 431 -22.120 11.647 -16.367 302 HD12 LEU 431 2HD1 LEU 431 -20.738 12.698 -16.676 303 HD13 LEU 431 3HD1 LEU 431 -22.321 13.104 -17.338 304 HD21 LEU 431 1HD2 LEU 431 -21.778 11.822 -13.913 305 HD22 LEU 431 2HD2 LEU 431 -21.705 13.406 -13.142 306 HD23 LEU 431 3HD2 LEU 431 -20.376 12.862 -14.166 307 H GLU 432 H GLU 432 -25.191 15.258 -14.816 308 HA GLU 432 HA GLU 432 -25.895 14.643 -17.501 309 HB2 GLU 432 2HB GLU 432 -27.797 15.138 -15.209 310 HB3 GLU 432 1HB GLU 432 -28.083 14.171 -16.648 311 HG2 GLU 432 2HG GLU 432 -27.674 12.518 -15.143 312 HG3 GLU 432 1HG GLU 432 -26.035 12.797 -15.727 313 H ALA 433 H ALA 433 -25.447 16.524 -18.674 314 HA ALA 433 HA ALA 433 -27.376 18.714 -18.265 315 HB1 ALA 433 1HB ALA 433 -25.018 19.362 -17.860 316 HB2 ALA 433 2HB ALA 433 -25.762 20.249 -19.190 317 HB3 ALA 433 3HB ALA 433 -24.644 18.927 -19.527 318 H ALA 434 H ALA 434 -27.027 16.099 -19.988 319 HA ALA 434 HA ALA 434 -28.557 17.015 -22.205 320 HB1 ALA 434 1HB ALA 434 -25.749 16.039 -22.759 321 HB2 ALA 434 2HB ALA 434 -26.349 17.674 -23.031 322 HB3 ALA 434 3HB ALA 434 -26.993 16.331 -23.973 323 H MET 1 2HT MET 1 10.067 -1.122 -15.536 324 HA MET 1 HA MET 1 9.706 -2.011 -17.727 325 HB2 MET 1 2HB MET 1 12.340 -3.421 -17.231 326 HB3 MET 1 1HB MET 1 11.248 -3.779 -18.560 327 HG2 MET 1 2HG MET 1 11.613 -1.634 -19.532 328 HG3 MET 1 1HG MET 1 12.515 -1.091 -18.118 329 HE1 MET 1 1HE MET 1 15.371 -1.233 -20.729 330 HE2 MET 1 2HE MET 1 14.470 -0.253 -19.571 331 HE3 MET 1 3HE MET 1 13.706 -0.767 -21.076 332 H ALA 2 H ALA 2 9.783 -4.729 -18.056 333 HA ALA 2 HA ALA 2 7.971 -5.624 -16.079 334 HB1 ALA 2 1HB ALA 2 7.893 -6.426 -18.386 335 HB2 ALA 2 2HB ALA 2 8.052 -7.767 -17.252 336 HB3 ALA 2 3HB ALA 2 9.454 -7.218 -18.170 337 H THR 3 H THR 3 8.305 -6.623 -14.212 338 HA THR 3 HA THR 3 10.778 -8.072 -13.705 339 HB THR 3 HB THR 3 9.957 -6.195 -11.538 340 HG1 THR 3 1HG THR 3 10.052 -4.906 -13.502 341 HG21 THR 3 1HG2 THR 3 12.341 -6.174 -11.079 342 HG22 THR 3 2HG2 THR 3 12.662 -7.058 -12.572 343 HG23 THR 3 3HG2 THR 3 11.785 -7.839 -11.255 344 H SER 4 H SER 4 10.567 -9.050 -11.356 345 HA SER 4 HA SER 4 8.132 -10.518 -11.297 346 HB2 SER 4 2HB SER 4 9.815 -10.611 -8.887 347 HB3 SER 4 1HB SER 4 9.293 -11.919 -9.950 348 HG SER 4 HG SER 4 11.328 -11.857 -10.534 349 H SER 5 H SER 5 6.690 -8.658 -11.126 350 HA SER 5 HA SER 5 6.019 -8.114 -8.349 351 HB2 SER 5 2HB SER 5 6.285 -5.863 -10.362 352 HB3 SER 5 1HB SER 5 5.865 -5.715 -8.656 353 HG SER 5 HG SER 5 8.124 -7.005 -8.685 354 H GLU 6 H GLU 6 3.799 -7.198 -8.182 355 HA GLU 6 HA GLU 6 2.099 -8.435 -10.179 356 HB2 GLU 6 2HB GLU 6 1.453 -7.080 -7.555 357 HB3 GLU 6 1HB GLU 6 0.249 -7.799 -8.615 358 HG2 GLU 6 2HG GLU 6 0.619 -9.431 -7.014 359 HG3 GLU 6 1HG GLU 6 1.609 -9.957 -8.376 360 H GLU 7 H GLU 7 -0.056 -7.111 -10.525 361 HA GLU 7 HA GLU 7 0.630 -4.920 -12.180 362 HB2 GLU 7 2HB GLU 7 -2.164 -5.292 -11.169 363 HB3 GLU 7 1HB GLU 7 -1.616 -4.827 -12.772 364 HG2 GLU 7 2HG GLU 7 -2.348 -6.941 -13.183 365 HG3 GLU 7 1HG GLU 7 -0.658 -7.269 -12.806 366 H VAL 8 H VAL 8 0.383 -2.732 -11.906 367 HA VAL 8 HA VAL 8 0.443 -1.793 -9.178 368 HB VAL 8 HB VAL 8 0.500 -0.116 -11.692 369 HG11 VAL 8 1HG1 VAL 8 0.047 1.106 -9.629 370 HG12 VAL 8 2HG1 VAL 8 1.638 1.512 -10.272 371 HG13 VAL 8 3HG1 VAL 8 1.495 0.418 -8.896 372 HG21 VAL 8 1HG2 VAL 8 2.813 -1.351 -10.198 373 HG22 VAL 8 2HG2 VAL 8 2.951 -0.173 -11.503 374 HG23 VAL 8 3HG2 VAL 8 2.276 -1.770 -11.825 375 H LEU 9 H LEU 9 -1.409 -1.535 -8.140 376 HA LEU 9 HA LEU 9 -3.848 -0.881 -9.595 377 HB2 LEU 9 2HB LEU 9 -3.545 -1.379 -6.638 378 HB3 LEU 9 1HB LEU 9 -5.020 -1.428 -7.581 379 HG LEU 9 HG LEU 9 -2.739 -3.397 -7.793 380 HD11 LEU 9 1HD1 LEU 9 -4.008 -3.582 -5.704 381 HD12 LEU 9 2HD1 LEU 9 -4.273 -4.969 -6.761 382 HD13 LEU 9 3HD1 LEU 9 -5.503 -3.712 -6.631 383 HD21 LEU 9 1HD2 LEU 9 -4.271 -4.671 -9.222 384 HD22 LEU 9 2HD2 LEU 9 -3.872 -3.105 -9.925 385 HD23 LEU 9 3HD2 LEU 9 -5.435 -3.349 -9.147 386 H LEU 10 H LEU 10 -1.627 0.540 -7.274 387 HA LEU 10 HA LEU 10 -3.118 3.071 -7.555 388 HB2 LEU 10 2HB LEU 10 -3.453 1.875 -5.331 389 HB3 LEU 10 1HB LEU 10 -1.775 2.264 -4.988 390 HG LEU 10 HG LEU 10 -2.411 4.698 -5.413 391 HD11 LEU 10 1HD1 LEU 10 -4.762 5.271 -5.063 392 HD12 LEU 10 2HD1 LEU 10 -5.180 3.559 -5.089 393 HD13 LEU 10 3HD1 LEU 10 -4.531 4.331 -6.536 394 HD21 LEU 10 1HD2 LEU 10 -1.973 3.771 -3.194 395 HD22 LEU 10 2HD2 LEU 10 -3.660 3.268 -3.075 396 HD23 LEU 10 3HD2 LEU 10 -3.254 4.983 -3.149 397 H ILE 11 H ILE 11 -1.927 4.871 -7.867 398 HA ILE 11 HA ILE 11 1.002 4.589 -7.773 399 HB ILE 11 HB ILE 11 -0.616 6.034 -9.880 400 HG12 ILE 11 2HG1 ILE 11 1.208 3.629 -10.110 401 HG13 ILE 11 1HG1 ILE 11 -0.550 3.565 -10.112 402 HG21 ILE 11 1HG2 ILE 11 1.382 7.293 -9.403 403 HG22 ILE 11 2HG2 ILE 11 1.583 6.462 -10.947 404 HG23 ILE 11 3HG2 ILE 11 2.369 5.834 -9.500 405 HD11 ILE 11 1HD1 ILE 11 0.331 3.389 -12.359 406 HD12 ILE 11 2HD1 ILE 11 1.177 4.926 -12.166 407 HD13 ILE 11 3HD1 ILE 11 -0.587 4.884 -12.171 408 H VAL 12 H VAL 12 1.814 5.905 -6.318 409 HA VAL 12 HA VAL 12 0.583 8.560 -5.889 410 HB VAL 12 HB VAL 12 2.050 6.779 -3.926 411 HG11 VAL 12 1HG1 VAL 12 2.735 9.069 -3.557 412 HG12 VAL 12 2HG1 VAL 12 1.641 8.559 -2.270 413 HG13 VAL 12 3HG1 VAL 12 1.053 9.602 -3.567 414 HG21 VAL 12 1HG2 VAL 12 -0.273 6.161 -4.277 415 HG22 VAL 12 2HG2 VAL 12 -0.778 7.822 -3.963 416 HG23 VAL 12 3HG2 VAL 12 -0.056 6.861 -2.673 417 H LYS 13 H LYS 13 1.974 10.337 -5.973 418 HA LYS 13 HA LYS 13 4.695 9.670 -6.884 419 HB2 LYS 13 2HB LYS 13 2.781 11.808 -7.632 420 HB3 LYS 13 1HB LYS 13 4.490 12.229 -7.628 421 HG2 LYS 13 2HG LYS 13 3.154 10.051 -9.220 422 HG3 LYS 13 1HG LYS 13 3.897 11.532 -9.833 423 HD2 LYS 13 2HD LYS 13 6.080 10.764 -9.034 424 HD3 LYS 13 1HD LYS 13 5.338 9.290 -8.414 425 HE2 LYS 13 2HE LYS 13 4.688 8.658 -10.680 426 HE3 LYS 13 1HE LYS 13 5.402 10.144 -11.306 427 HZ1 LYS 13 1HZ LYS 13 6.770 7.794 -10.146 428 HZ2 LYS 13 2HZ LYS 13 7.541 9.307 -10.214 429 HZ3 LYS 13 3HZ LYS 13 7.037 8.543 -11.640 430 H LYS 14 H LYS 14 6.366 11.297 -6.415 431 HA LYS 14 HA LYS 14 7.797 12.069 -4.861 432 HB2 LYS 14 2HB LYS 14 5.400 13.768 -4.819 433 HB3 LYS 14 1HB LYS 14 6.553 14.024 -3.511 434 HG2 LYS 14 2HG LYS 14 8.322 14.390 -5.161 435 HG3 LYS 14 1HG LYS 14 7.159 14.132 -6.462 436 HD2 LYS 14 2HD LYS 14 6.573 16.272 -6.379 437 HD3 LYS 14 1HD LYS 14 6.100 16.089 -4.689 438 HE2 LYS 14 2HE LYS 14 8.975 16.459 -5.447 439 HE3 LYS 14 1HE LYS 14 7.895 17.845 -5.311 440 HZ1 LYS 14 1HZ LYS 14 9.193 16.425 -3.257 441 HZ2 LYS 14 2HZ LYS 14 7.520 16.287 -3.039 442 HZ3 LYS 14 3HZ LYS 14 8.231 17.821 -3.137 443 H VAL 15 H VAL 15 7.917 10.122 -3.709 444 HA VAL 15 HA VAL 15 6.822 10.334 -0.983 445 HB VAL 15 HB VAL 15 7.195 7.762 -2.544 446 HG11 VAL 15 1HG1 VAL 15 6.163 6.673 -0.614 447 HG12 VAL 15 2HG1 VAL 15 6.104 8.220 0.231 448 HG13 VAL 15 3HG1 VAL 15 7.660 7.490 -0.162 449 HG21 VAL 15 1HG2 VAL 15 5.230 9.192 -3.206 450 HG22 VAL 15 2HG2 VAL 15 4.608 8.955 -1.571 451 HG23 VAL 15 3HG2 VAL 15 4.832 7.570 -2.640 452 H ARG 16 H ARG 16 8.506 10.769 0.298 453 HA ARG 16 HA ARG 16 11.173 9.900 -0.463 454 HB2 ARG 16 2HB ARG 16 10.170 11.704 1.729 455 HB3 ARG 16 1HB ARG 16 11.844 11.193 1.623 456 HG2 ARG 16 2HG ARG 16 11.626 12.136 -0.823 457 HG3 ARG 16 1HG ARG 16 10.319 13.071 -0.094 458 HD2 ARG 16 2HD ARG 16 13.249 13.105 0.529 459 HD3 ARG 16 1HD ARG 16 12.173 14.453 0.164 460 HE ARG 16 HE ARG 16 11.892 12.933 2.676 461 HH11 ARG 16 1HH1 ARG 16 12.560 15.971 1.047 462 HH12 ARG 16 2HH1 ARG 16 12.330 16.920 2.476 463 HH21 ARG 16 1HH2 ARG 16 11.589 14.167 4.523 464 HH22 ARG 16 2HH2 ARG 16 11.740 15.912 4.463 465 H GLN 17 H GLN 17 12.150 8.203 0.304 466 HA GLN 17 HA GLN 17 11.188 6.995 2.814 467 HB2 GLN 17 2HB GLN 17 11.168 5.774 0.408 468 HB3 GLN 17 1HB GLN 17 12.816 5.406 0.893 469 HG2 GLN 17 2HG GLN 17 10.460 4.822 2.656 470 HG3 GLN 17 1HG GLN 17 11.028 3.691 1.431 471 HE21 GLN 17 1HE2 GLN 17 13.832 4.445 1.840 472 HE22 GLN 17 2HE2 GLN 17 14.305 3.697 3.322 473 H LYS 18 H LYS 18 12.521 7.792 4.298 474 HA LYS 18 HA LYS 18 14.357 8.529 5.386 475 HB2 LYS 18 2HB LYS 18 14.969 5.878 4.270 476 HB3 LYS 18 1HB LYS 18 16.329 6.765 4.953 477 HG2 LYS 18 2HG LYS 18 13.774 5.988 6.353 478 HG3 LYS 18 1HG LYS 18 15.378 5.308 6.622 479 HD2 LYS 18 2HD LYS 18 15.500 6.796 8.304 480 HD3 LYS 18 1HD LYS 18 15.826 7.973 7.030 481 HE2 LYS 18 2HE LYS 18 13.529 8.626 6.949 482 HE3 LYS 18 1HE LYS 18 13.058 7.306 8.015 483 HZ1 LYS 18 1HZ LYS 18 14.171 8.342 9.835 484 HZ2 LYS 18 2HZ LYS 18 13.173 9.502 9.114 485 HZ3 LYS 18 3HZ LYS 18 14.844 9.539 8.828 486 H LYS 19 H LYS 19 14.299 10.305 3.695 487 HA LYS 19 HA LYS 19 15.485 11.945 2.723 488 HB2 LYS 19 2HB LYS 19 17.571 10.094 3.562 489 HB3 LYS 19 1HB LYS 19 18.047 11.244 2.316 490 HG2 LYS 19 2HG LYS 19 17.030 11.799 5.090 491 HG3 LYS 19 1HG LYS 19 18.613 12.188 4.414 492 HD2 LYS 19 2HD LYS 19 17.188 13.569 2.698 493 HD3 LYS 19 1HD LYS 19 15.979 13.518 3.982 494 HE2 LYS 19 2HE LYS 19 18.616 14.882 3.901 495 HE3 LYS 19 1HE LYS 19 17.076 15.436 4.554 496 HZ1 LYS 19 1HZ LYS 19 19.211 14.042 5.861 497 HZ2 LYS 19 2HZ LYS 19 17.702 13.336 6.155 498 HZ3 LYS 19 3HZ LYS 19 17.960 14.969 6.519 499 H GLN 20 H GLN 20 14.561 9.294 1.207 500 HA GLN 20 HA GLN 20 15.851 10.130 -1.318 501 HB2 GLN 20 2HB GLN 20 14.796 7.359 -0.738 502 HB3 GLN 20 1HB GLN 20 15.738 7.871 -2.130 503 HG2 GLN 20 2HG GLN 20 16.797 7.943 0.679 504 HG3 GLN 20 1HG GLN 20 16.962 6.545 -0.378 505 HE21 GLN 20 1HE2 GLN 20 19.185 6.677 -0.370 506 HE22 GLN 20 2HE2 GLN 20 20.056 7.908 -1.211 507 H ASP 21 H ASP 21 14.433 11.129 -2.627 508 HA ASP 21 HA ASP 21 11.590 10.776 -2.179 509 HB2 ASP 21 2HB ASP 21 12.988 12.974 -2.870 510 HB3 ASP 21 1HB ASP 21 12.526 12.414 -4.474 511 H GLY 22 H GLY 22 10.124 9.977 -3.659 512 HA2 GLY 22 2HA GLY 22 10.868 9.030 -6.236 513 HA3 GLY 22 1HA GLY 22 10.825 7.712 -5.074 514 H ALA 23 H ALA 23 9.060 6.620 -5.734 515 HA ALA 23 HA ALA 23 6.495 7.948 -5.327 516 HB1 ALA 23 1HB ALA 23 6.921 8.237 -7.705 517 HB2 ALA 23 2HB ALA 23 5.590 7.112 -7.440 518 HB3 ALA 23 3HB ALA 23 7.184 6.501 -7.880 519 H LEU 24 H LEU 24 4.860 6.595 -4.715 520 HA LEU 24 HA LEU 24 5.698 3.866 -4.014 521 HB2 LEU 24 2HB LEU 24 4.974 5.443 -2.194 522 HB3 LEU 24 1HB LEU 24 3.372 5.429 -2.907 523 HG LEU 24 HG LEU 24 3.499 2.869 -2.620 524 HD11 LEU 24 1HD1 LEU 24 5.865 2.737 -2.098 525 HD12 LEU 24 2HD1 LEU 24 4.891 2.123 -0.763 526 HD13 LEU 24 3HD1 LEU 24 5.616 3.729 -0.662 527 HD21 LEU 24 1HD2 LEU 24 2.644 3.044 -0.334 528 HD22 LEU 24 2HD2 LEU 24 1.988 4.314 -1.368 529 HD23 LEU 24 3HD2 LEU 24 3.277 4.686 -0.224 530 H TYR 25 H TYR 25 4.731 2.173 -4.910 531 HA TYR 25 HA TYR 25 2.286 2.649 -6.484 532 HB2 TYR 25 2HB TYR 25 4.524 0.748 -7.214 533 HB3 TYR 25 1HB TYR 25 3.083 1.089 -8.164 534 HD1 TYR 25 1HD TYR 25 6.427 2.192 -7.284 535 HD2 TYR 25 2HD TYR 25 2.840 3.290 -9.290 536 HE1 TYR 25 1HE TYR 25 7.640 3.973 -8.465 537 HE2 TYR 25 2HE TYR 25 4.044 5.076 -10.477 538 HH TYR 25 HH TYR 25 7.445 5.291 -10.512 539 H LEU 26 H LEU 26 0.638 1.572 -5.620 540 HA LEU 26 HA LEU 26 1.100 -0.728 -3.920 541 HB2 LEU 26 2HB LEU 26 -1.472 0.573 -4.814 542 HB3 LEU 26 1HB LEU 26 -1.378 -0.774 -3.699 543 HG LEU 26 HG LEU 26 -0.682 2.089 -3.266 544 HD11 LEU 26 1HD1 LEU 26 -1.901 1.689 -1.175 545 HD12 LEU 26 2HD1 LEU 26 -2.113 -0.002 -1.633 546 HD13 LEU 26 3HD1 LEU 26 -2.868 1.273 -2.591 547 HD21 LEU 26 1HD2 LEU 26 1.354 0.861 -2.695 548 HD22 LEU 26 2HD2 LEU 26 0.413 -0.179 -1.625 549 HD23 LEU 26 3HD2 LEU 26 0.566 1.542 -1.272 550 H MET 27 H MET 27 0.813 -2.836 -4.513 551 HA MET 27 HA MET 27 -0.161 -3.268 -7.255 552 HB2 MET 27 2HB MET 27 1.733 -5.199 -6.018 553 HB3 MET 27 1HB MET 27 1.510 -4.750 -7.705 554 HG2 MET 27 2HG MET 27 2.547 -2.540 -7.153 555 HG3 MET 27 1HG MET 27 2.957 -3.210 -5.575 556 HE1 MET 27 1HE MET 27 3.595 -3.135 -9.340 557 HE2 MET 27 2HE MET 27 5.328 -3.463 -9.313 558 HE3 MET 27 3HE MET 27 4.674 -2.101 -8.403 559 H ALA 28 H ALA 28 -0.872 -5.563 -7.607 560 HA ALA 28 HA ALA 28 -3.150 -6.128 -6.259 561 HB1 ALA 28 1HB ALA 28 -1.374 -8.188 -7.544 562 HB2 ALA 28 2HB ALA 28 -2.496 -7.126 -8.394 563 HB3 ALA 28 3HB ALA 28 -3.109 -8.325 -7.255 564 H GLU 29 H GLU 29 -0.039 -7.823 -5.559 565 HA GLU 29 HA GLU 29 -1.272 -8.586 -2.990 566 HB2 GLU 29 2HB GLU 29 0.753 -10.097 -4.641 567 HB3 GLU 29 1HB GLU 29 0.284 -10.542 -3.008 568 HG2 GLU 29 2HG GLU 29 -2.129 -10.359 -4.277 569 HG3 GLU 29 1HG GLU 29 -1.074 -10.998 -5.539 570 H ARG 30 H ARG 30 0.640 -6.250 -3.880 571 HA ARG 30 HA ARG 30 2.172 -6.353 -1.449 572 HB2 ARG 30 2HB ARG 30 4.321 -6.639 -2.234 573 HB3 ARG 30 1HB ARG 30 3.431 -7.741 -3.273 574 HG2 ARG 30 2HG ARG 30 3.438 -6.112 -5.065 575 HG3 ARG 30 1HG ARG 30 4.241 -4.936 -4.023 576 HD2 ARG 30 2HD ARG 30 5.981 -5.818 -5.284 577 HD3 ARG 30 1HD ARG 30 6.070 -6.728 -3.775 578 HE ARG 30 HE ARG 30 4.423 -8.146 -5.537 579 HH11 ARG 30 1HH1 ARG 30 7.790 -7.205 -5.210 580 HH12 ARG 30 2HH1 ARG 30 8.379 -8.539 -6.150 581 HH21 ARG 30 1HH2 ARG 30 5.186 -9.901 -6.748 582 HH22 ARG 30 2HH2 ARG 30 6.900 -10.080 -7.019 583 H ILE 31 H ILE 31 3.712 -4.502 -1.291 584 HA ILE 31 HA ILE 31 2.761 -2.177 -2.810 585 HB ILE 31 HB ILE 31 1.836 -1.803 -0.675 586 HG12 ILE 31 2HG1 ILE 31 4.535 -0.434 -0.584 587 HG13 ILE 31 1HG1 ILE 31 3.165 0.113 -1.544 588 HG21 ILE 31 1HG2 ILE 31 4.446 -2.713 0.519 589 HG22 ILE 31 2HG2 ILE 31 2.923 -3.604 0.515 590 HG23 ILE 31 3HG2 ILE 31 3.064 -2.101 1.428 591 HD11 ILE 31 1HD1 ILE 31 3.211 -0.111 1.455 592 HD12 ILE 31 2HD1 ILE 31 1.880 0.500 0.473 593 HD13 ILE 31 3HD1 ILE 31 3.409 1.377 0.531 594 H ALA 32 H ALA 32 4.369 -1.230 -3.917 595 HA ALA 32 HA ALA 32 7.113 -1.706 -2.966 596 HB1 ALA 32 1HB ALA 32 6.631 -3.078 -4.918 597 HB2 ALA 32 2HB ALA 32 7.853 -1.858 -5.274 598 HB3 ALA 32 3HB ALA 32 6.194 -1.634 -5.831 599 H TRP 33 H TRP 33 8.674 -0.144 -3.505 600 HA TRP 33 HA TRP 33 7.634 2.497 -4.252 601 HB2 TRP 33 2HB TRP 33 7.757 2.522 -1.833 602 HB3 TRP 33 1HB TRP 33 9.385 1.860 -1.867 603 HD1 TRP 33 HD TRP 33 7.467 5.120 -2.408 604 HE1 TRP 33 1HE TRP 33 9.144 7.077 -2.410 605 HE3 TRP 33 3HE TRP 33 11.832 2.457 -2.342 606 HZ2 TRP 33 2HZ TRP 33 11.934 7.439 -2.391 607 HZ3 TRP 33 3HZ TRP 33 13.962 3.687 -2.335 608 HH2 TRP 33 HH TRP 33 14.009 6.128 -2.359 609 H ALA 34 H ALA 34 8.972 3.673 -5.523 610 HA ALA 34 HA ALA 34 11.717 2.730 -5.943 611 HB1 ALA 34 1HB ALA 34 11.473 2.848 -8.362 612 HB2 ALA 34 2HB ALA 34 9.775 3.290 -8.189 613 HB3 ALA 34 3HB ALA 34 10.324 1.690 -7.692 614 HA PRO 35 HA PRO 35 12.513 7.091 -5.610 615 HB2 PRO 35 2HB PRO 35 14.875 6.532 -7.309 616 HB3 PRO 35 1HB PRO 35 14.799 7.233 -5.689 617 HG2 PRO 35 2HG PRO 35 15.687 4.739 -6.087 618 HG3 PRO 35 1HG PRO 35 14.735 5.168 -4.653 619 HD2 PRO 35 2HD PRO 35 13.884 3.729 -7.134 620 HD3 PRO 35 1HD PRO 35 13.418 3.440 -5.445 621 H GLU 36 H GLU 36 12.426 8.955 -6.963 622 HA GLU 36 HA GLU 36 10.904 8.627 -9.290 623 HB2 GLU 36 2HB GLU 36 11.130 10.696 -7.763 624 HB3 GLU 36 1HB GLU 36 12.508 11.111 -8.774 625 HG2 GLU 36 2HG GLU 36 10.259 12.135 -9.375 626 HG3 GLU 36 1HG GLU 36 11.185 11.386 -10.677 627 H GLY 37 H GLY 37 11.325 8.675 -11.415 628 HA2 GLY 37 2HA GLY 37 12.529 8.567 -13.373 629 HA3 GLY 37 1HA GLY 37 13.893 9.266 -12.514 630 H LYS 38 H LYS 38 12.382 6.329 -11.380 631 HA LYS 38 HA LYS 38 14.787 4.861 -12.238 632 HB2 LYS 38 2HB LYS 38 13.316 4.920 -9.703 633 HB3 LYS 38 1HB LYS 38 13.648 3.294 -10.285 634 HG2 LYS 38 2HG LYS 38 15.462 3.812 -8.914 635 HG3 LYS 38 1HG LYS 38 16.066 4.064 -10.551 636 HD2 LYS 38 2HD LYS 38 14.850 6.430 -9.307 637 HD3 LYS 38 1HD LYS 38 16.312 5.848 -8.512 638 HE2 LYS 38 2HE LYS 38 17.625 6.193 -10.399 639 HE3 LYS 38 1HE LYS 38 16.233 6.200 -11.482 640 HZ1 LYS 38 1HZ LYS 38 16.881 8.418 -11.324 641 HZ2 LYS 38 2HZ LYS 38 17.143 8.337 -9.656 642 HZ3 LYS 38 3HZ LYS 38 15.561 8.313 -10.264 643 H ASP 39 H ASP 39 14.575 2.824 -13.112 644 HA ASP 39 HA ASP 39 12.041 2.342 -14.433 645 HB2 ASP 39 2HB ASP 39 13.991 2.263 -15.824 646 HB3 ASP 39 1HB ASP 39 14.794 1.137 -14.736 647 H ARG 40 H ARG 40 13.817 1.082 -11.768 648 HA ARG 40 HA ARG 40 11.889 -1.128 -11.562 649 HB2 ARG 40 2HB ARG 40 14.786 -1.265 -11.637 650 HB3 ARG 40 1HB ARG 40 14.153 -1.951 -10.147 651 HG2 ARG 40 2HG ARG 40 14.374 -3.698 -11.763 652 HG3 ARG 40 1HG ARG 40 12.657 -3.392 -11.502 653 HD2 ARG 40 2HD ARG 40 12.559 -2.080 -13.547 654 HD3 ARG 40 1HD ARG 40 14.290 -2.304 -13.794 655 HE ARG 40 HE ARG 40 12.521 -4.652 -13.695 656 HH11 ARG 40 1HH1 ARG 40 14.522 -2.476 -15.578 657 HH12 ARG 40 2HH1 ARG 40 14.806 -3.630 -16.846 658 HH21 ARG 40 1HH2 ARG 40 12.834 -6.153 -15.407 659 HH22 ARG 40 2HH2 ARG 40 13.843 -5.719 -16.749 660 H PHE 41 H PHE 41 11.552 -1.887 -9.340 661 HA PHE 41 HA PHE 41 11.404 0.381 -7.520 662 HB2 PHE 41 2HB PHE 41 10.303 -2.377 -6.999 663 HB3 PHE 41 1HB PHE 41 9.767 -0.841 -6.328 664 HD1 PHE 41 1HD PHE 41 8.588 0.792 -7.841 665 HD2 PHE 41 2HD PHE 41 9.367 -3.239 -8.963 666 HE1 PHE 41 1HE PHE 41 6.864 0.949 -9.589 667 HE2 PHE 41 2HE PHE 41 7.646 -3.089 -10.714 668 HZ PHE 41 HZ PHE 41 6.393 -0.992 -11.029 669 H THR 42 H THR 42 12.248 0.359 -5.422 670 HA THR 42 HA THR 42 14.469 -1.524 -5.048 671 HB THR 42 HB THR 42 14.954 0.271 -3.146 672 HG1 THR 42 1HG THR 42 13.538 1.845 -3.314 673 HG21 THR 42 1HG2 THR 42 15.485 0.777 -6.078 674 HG22 THR 42 2HG2 THR 42 16.442 -0.263 -5.025 675 HG23 THR 42 3HG2 THR 42 16.379 1.474 -4.729 676 H ILE 43 H ILE 43 11.584 -0.244 -3.511 677 HA ILE 43 HA ILE 43 11.945 -2.091 -1.249 678 HB ILE 43 HB ILE 43 10.095 0.276 -1.584 679 HG12 ILE 43 2HG1 ILE 43 12.532 0.737 -1.138 680 HG13 ILE 43 1HG1 ILE 43 11.423 1.381 0.067 681 HG21 ILE 43 1HG2 ILE 43 8.991 -1.471 -0.304 682 HG22 ILE 43 2HG2 ILE 43 9.401 -0.101 0.727 683 HG23 ILE 43 3HG2 ILE 43 10.378 -1.569 0.781 684 HD11 ILE 43 1HD1 ILE 43 13.412 0.405 1.083 685 HD12 ILE 43 2HD1 ILE 43 13.032 -1.150 0.343 686 HD13 ILE 43 3HD1 ILE 43 11.953 -0.464 1.559 687 H SER 44 H SER 44 10.661 -3.861 -1.097 688 HA SER 44 HA SER 44 8.140 -3.921 -2.567 689 HB2 SER 44 2HB SER 44 9.758 -4.891 -4.121 690 HB3 SER 44 1HB SER 44 10.321 -6.003 -2.876 691 HG SER 44 HG SER 44 8.326 -7.022 -2.918 692 H HIS 45 H HIS 45 6.830 -4.128 -0.834 693 HA HIS 45 HA HIS 45 7.382 -6.350 1.030 694 HB2 HIS 45 2HB HIS 45 6.018 -3.702 1.472 695 HB3 HIS 45 1HB HIS 45 5.771 -5.060 2.561 696 HD1 HIS 45 1HD HIS 45 8.199 -6.025 3.588 697 HD2 HIS 45 2HD HIS 45 8.031 -2.128 2.183 698 HE1 HIS 45 1HE HIS 45 10.143 -4.808 4.644 699 H MET 46 H MET 46 6.056 -8.018 0.882 700 HA MET 46 HA MET 46 3.719 -7.830 -0.787 701 HB2 MET 46 2HB MET 46 4.430 -10.175 0.976 702 HB3 MET 46 1HB MET 46 3.502 -10.180 -0.515 703 HG2 MET 46 2HG MET 46 6.449 -9.610 -0.304 704 HG3 MET 46 1HG MET 46 5.739 -11.152 -0.771 705 HE1 MET 46 1HE MET 46 4.037 -10.286 -4.183 706 HE2 MET 46 2HE MET 46 3.290 -10.285 -2.585 707 HE3 MET 46 3HE MET 46 4.423 -11.563 -3.029 708 H TYR 47 H TYR 47 1.586 -8.027 -0.108 709 HA TYR 47 HA TYR 47 0.922 -6.803 2.339 710 HB2 TYR 47 2HB TYR 47 -0.770 -8.469 0.467 711 HB3 TYR 47 1HB TYR 47 -1.417 -7.599 1.851 712 HD1 TYR 47 1HD TYR 47 -2.123 -7.305 -1.138 713 HD2 TYR 47 2HD TYR 47 0.493 -5.160 1.439 714 HE1 TYR 47 1HE TYR 47 -2.389 -5.306 -2.538 715 HE2 TYR 47 2HE TYR 47 0.233 -3.152 0.044 716 HH TYR 47 HH TYR 47 -1.527 -3.262 -3.000 717 H ALA 48 H ALA 48 1.546 -10.072 1.477 718 HA ALA 48 HA ALA 48 0.261 -11.309 3.710 719 HB1 ALA 48 1HB ALA 48 2.452 -12.475 2.005 720 HB2 ALA 48 2HB ALA 48 0.760 -12.417 1.511 721 HB3 ALA 48 3HB ALA 48 1.229 -13.338 2.941 722 H ASP 49 H ASP 49 2.863 -9.317 3.656 723 HA ASP 49 HA ASP 49 4.125 -10.715 5.920 724 HB2 ASP 49 2HB ASP 49 5.440 -8.927 3.866 725 HB3 ASP 49 1HB ASP 49 6.240 -9.559 5.302 726 H ILE 50 H ILE 50 2.134 -8.248 5.247 727 HA ILE 50 HA ILE 50 3.372 -6.394 7.172 728 HB ILE 50 HB ILE 50 1.064 -5.861 5.295 729 HG12 ILE 50 2HG1 ILE 50 3.900 -4.862 5.029 730 HG13 ILE 50 1HG1 ILE 50 3.337 -6.324 4.226 731 HG21 ILE 50 1HG2 ILE 50 1.058 -4.466 7.293 732 HG22 ILE 50 2HG2 ILE 50 1.460 -3.516 5.862 733 HG23 ILE 50 3HG2 ILE 50 2.731 -4.001 6.985 734 HD11 ILE 50 1HD1 ILE 50 3.302 -4.400 2.740 735 HD12 ILE 50 2HD1 ILE 50 2.203 -3.567 3.839 736 HD13 ILE 50 3HD1 ILE 50 1.680 -5.034 3.012 737 H LYS 51 H LYS 51 2.547 -6.323 9.185 738 HA LYS 51 HA LYS 51 0.256 -7.858 9.935 739 HB2 LYS 51 2HB LYS 51 1.803 -7.826 11.635 740 HB3 LYS 51 1HB LYS 51 2.294 -6.176 11.308 741 HG2 LYS 51 2HG LYS 51 1.225 -6.338 13.475 742 HG3 LYS 51 1HG LYS 51 0.261 -5.347 12.382 743 HD2 LYS 51 2HD LYS 51 -0.817 -7.804 11.958 744 HD3 LYS 51 1HD LYS 51 -0.364 -7.917 13.660 745 HE2 LYS 51 2HE LYS 51 -1.769 -6.187 14.283 746 HE3 LYS 51 1HE LYS 51 -1.812 -5.501 12.660 747 HZ1 LYS 51 1HZ LYS 51 -3.625 -6.676 12.187 748 HZ2 LYS 51 2HZ LYS 51 -3.682 -7.176 13.806 749 HZ3 LYS 51 3HZ LYS 51 -2.883 -8.135 12.661 750 H CYS 52 H CYS 52 0.984 -4.385 10.092 751 HA CYS 52 HA CYS 52 -1.699 -3.699 9.297 752 HB2 CYS 52 2HB CYS 52 -2.062 -2.220 11.293 753 HB3 CYS 52 1HB CYS 52 -2.137 -3.939 11.650 754 HG CYS 52 HG CYS 52 -0.915 -2.523 13.762 755 H GLN 53 H GLN 53 -1.753 -1.017 9.656 756 HA GLN 53 HA GLN 53 0.898 -0.147 8.749 757 HB2 GLN 53 2HB GLN 53 -0.451 1.295 7.092 758 HB3 GLN 53 1HB GLN 53 -0.314 -0.409 6.737 759 HG2 GLN 53 2HG GLN 53 -2.495 -0.838 7.250 760 HG3 GLN 53 1HG GLN 53 -2.634 0.561 8.311 761 HE21 GLN 53 1HE2 GLN 53 -4.483 -0.136 6.363 762 HE22 GLN 53 2HE2 GLN 53 -4.507 1.117 5.164 763 H LYS 54 H LYS 54 1.041 2.284 8.925 764 HA LYS 54 HA LYS 54 -0.856 3.508 10.806 765 HB2 LYS 54 2HB LYS 54 2.104 3.904 11.252 766 HB3 LYS 54 1HB LYS 54 0.770 4.208 12.346 767 HG2 LYS 54 2HG LYS 54 0.685 1.471 11.928 768 HG3 LYS 54 1HG LYS 54 2.406 1.855 12.050 769 HD2 LYS 54 2HD LYS 54 1.749 3.234 14.108 770 HD3 LYS 54 1HD LYS 54 0.222 2.352 14.046 771 HE2 LYS 54 2HE LYS 54 2.947 1.095 14.202 772 HE3 LYS 54 1HE LYS 54 1.864 1.338 15.569 773 HZ1 LYS 54 1HZ LYS 54 1.882 -0.931 14.433 774 HZ2 LYS 54 2HZ LYS 54 0.992 -0.190 13.203 775 HZ3 LYS 54 3HZ LYS 54 0.377 -0.232 14.783 776 H ILE 55 H ILE 55 -0.481 5.875 10.848 777 HA ILE 55 HA ILE 55 0.931 6.816 8.416 778 HB ILE 55 HB ILE 55 -1.094 8.440 8.203 779 HG12 ILE 55 2HG1 ILE 55 -2.280 6.198 9.818 780 HG13 ILE 55 1HG1 ILE 55 -2.066 7.860 10.334 781 HG21 ILE 55 1HG2 ILE 55 -2.333 6.857 6.787 782 HG22 ILE 55 2HG2 ILE 55 -1.427 5.523 7.503 783 HG23 ILE 55 3HG2 ILE 55 -0.592 6.731 6.525 784 HD11 ILE 55 1HD1 ILE 55 -3.896 6.932 8.153 785 HD12 ILE 55 2HD1 ILE 55 -3.707 8.588 8.734 786 HD13 ILE 55 3HD1 ILE 55 -4.361 7.346 9.802 787 H SER 56 H SER 56 2.092 8.737 8.776 788 HA SER 56 HA SER 56 1.979 9.828 11.415 789 HB2 SER 56 2HB SER 56 3.672 11.319 10.788 790 HB3 SER 56 1HB SER 56 3.974 9.959 9.713 791 HG SER 56 HG SER 56 2.606 12.366 9.084 792 HA PRO 57 HA PRO 57 -2.062 11.441 10.705 793 HB2 PRO 57 2HB PRO 57 -2.107 12.899 13.045 794 HB3 PRO 57 1HB PRO 57 -2.485 11.179 12.905 795 HG2 PRO 57 2HG PRO 57 0.073 12.492 13.724 796 HG3 PRO 57 1HG PRO 57 -0.736 11.076 14.424 797 HD2 PRO 57 2HD PRO 57 1.346 10.796 12.809 798 HD3 PRO 57 1HD PRO 57 -0.032 9.680 12.725 799 H GLU 58 H GLU 58 -3.152 13.516 10.586 800 HA GLU 58 HA GLU 58 -1.694 15.567 9.351 801 HB2 GLU 58 2HB GLU 58 -4.475 15.297 10.430 802 HB3 GLU 58 1HB GLU 58 -3.887 16.904 10.027 803 HG2 GLU 58 2HG GLU 58 -4.915 16.289 8.074 804 HG3 GLU 58 1HG GLU 58 -3.249 15.814 7.754 805 H GLY 59 H GLY 59 -1.026 17.585 10.158 806 HA2 GLY 59 2HA GLY 59 -0.926 19.159 12.041 807 HA3 GLY 59 1HA GLY 59 -0.901 17.754 13.106 808 H LYS 60 H LYS 60 0.892 16.212 11.435 809 HA LYS 60 HA LYS 60 3.403 17.203 12.343 810 HB2 LYS 60 2HB LYS 60 2.518 14.911 10.644 811 HB3 LYS 60 1HB LYS 60 4.186 15.427 10.494 812 HG2 LYS 60 2HG LYS 60 4.290 15.148 13.054 813 HG3 LYS 60 1HG LYS 60 2.794 14.226 12.862 814 HD2 LYS 60 2HD LYS 60 3.813 12.559 11.645 815 HD3 LYS 60 1HD LYS 60 5.115 13.608 11.092 816 HE2 LYS 60 2HE LYS 60 4.770 12.401 13.826 817 HE3 LYS 60 1HE LYS 60 5.994 11.991 12.632 818 HZ1 LYS 60 1HZ LYS 60 5.749 14.582 14.049 819 HZ2 LYS 60 2HZ LYS 60 6.921 14.216 12.880 820 HZ3 LYS 60 3HZ LYS 60 6.900 13.377 14.362 821 H ALA 61 H ALA 61 5.233 17.700 10.819 822 HA ALA 61 HA ALA 61 4.425 19.722 8.976 823 HB1 ALA 61 1HB ALA 61 7.168 18.522 9.347 824 HB2 ALA 61 2HB ALA 61 6.508 19.846 10.307 825 HB3 ALA 61 3HB ALA 61 6.787 20.063 8.579 826 H LYS 62 H LYS 62 4.316 16.502 8.689 827 HA LYS 62 HA LYS 62 4.077 16.578 5.845 828 HB2 LYS 62 2HB LYS 62 5.736 14.826 5.382 829 HB3 LYS 62 1HB LYS 62 6.495 16.279 6.015 830 HG2 LYS 62 2HG LYS 62 5.776 14.326 8.065 831 HG3 LYS 62 1HG LYS 62 6.961 13.747 6.892 832 HD2 LYS 62 2HD LYS 62 7.279 16.439 8.158 833 HD3 LYS 62 1HD LYS 62 7.770 14.983 9.028 834 HE2 LYS 62 2HE LYS 62 9.061 14.397 6.881 835 HE3 LYS 62 1HE LYS 62 8.837 16.094 6.456 836 HZ1 LYS 62 1HZ LYS 62 10.907 15.225 7.829 837 HZ2 LYS 62 2HZ LYS 62 9.861 15.525 9.129 838 HZ3 LYS 62 3HZ LYS 62 10.265 16.780 8.045 839 H ILE 63 H ILE 63 3.080 14.685 5.030 840 HA ILE 63 HA ILE 63 1.740 13.083 7.104 841 HB ILE 63 HB ILE 63 0.919 13.760 4.272 842 HG12 ILE 63 2HG1 ILE 63 -1.121 14.544 5.877 843 HG13 ILE 63 1HG1 ILE 63 0.247 14.790 6.959 844 HG21 ILE 63 1HG2 ILE 63 0.276 11.473 4.810 845 HG22 ILE 63 2HG2 ILE 63 -1.132 12.529 4.699 846 HG23 ILE 63 3HG2 ILE 63 -0.518 12.039 6.279 847 HD11 ILE 63 1HD1 ILE 63 -0.271 16.825 5.770 848 HD12 ILE 63 2HD1 ILE 63 -0.112 15.993 4.224 849 HD13 ILE 63 3HD1 ILE 63 1.302 16.214 5.255 850 H GLN 64 H GLN 64 2.414 10.981 7.286 851 HA GLN 64 HA GLN 64 3.558 9.761 4.837 852 HB2 GLN 64 2HB GLN 64 4.791 9.306 7.533 853 HB3 GLN 64 1HB GLN 64 5.477 8.989 5.946 854 HG2 GLN 64 2HG GLN 64 5.988 11.221 5.583 855 HG3 GLN 64 1HG GLN 64 4.845 11.783 6.803 856 HE21 GLN 64 1HE2 GLN 64 5.375 11.503 9.004 857 HE22 GLN 64 2HE2 GLN 64 7.022 11.341 9.515 858 H LEU 65 H LEU 65 3.958 7.385 5.089 859 HA LEU 65 HA LEU 65 1.854 6.116 6.727 860 HB2 LEU 65 2HB LEU 65 1.478 6.071 4.221 861 HB3 LEU 65 1HB LEU 65 2.920 5.081 4.099 862 HG LEU 65 HG LEU 65 1.587 3.624 5.902 863 HD11 LEU 65 1HD1 LEU 65 -0.785 3.519 5.254 864 HD12 LEU 65 2HD1 LEU 65 -0.556 4.980 4.292 865 HD13 LEU 65 3HD1 LEU 65 -0.339 5.032 6.040 866 HD21 LEU 65 1HD2 LEU 65 2.452 2.739 3.849 867 HD22 LEU 65 2HD2 LEU 65 1.180 3.542 2.926 868 HD23 LEU 65 3HD2 LEU 65 0.773 2.238 4.042 869 H GLN 66 H GLN 66 2.415 4.253 7.808 870 HA GLN 66 HA GLN 66 5.233 3.415 7.657 871 HB2 GLN 66 2HB GLN 66 4.698 4.715 9.705 872 HB3 GLN 66 1HB GLN 66 3.479 3.521 10.114 873 HG2 GLN 66 2HG GLN 66 5.123 1.827 10.421 874 HG3 GLN 66 1HG GLN 66 6.393 2.867 9.776 875 HE21 GLN 66 1HE2 GLN 66 7.263 4.456 11.044 876 HE22 GLN 66 2HE2 GLN 66 6.977 4.561 12.748 877 H LEU 67 H LEU 67 5.443 1.356 7.071 878 HA LEU 67 HA LEU 67 3.119 -0.408 7.231 879 HB2 LEU 67 2HB LEU 67 5.761 -0.590 5.807 880 HB3 LEU 67 1HB LEU 67 4.677 -1.960 5.927 881 HG LEU 67 HG LEU 67 4.178 0.646 4.511 882 HD11 LEU 67 1HD1 LEU 67 3.990 -0.809 2.558 883 HD12 LEU 67 2HD1 LEU 67 4.328 -2.214 3.570 884 HD13 LEU 67 3HD1 LEU 67 5.565 -0.978 3.334 885 HD21 LEU 67 1HD2 LEU 67 2.277 -1.657 4.961 886 HD22 LEU 67 2HD2 LEU 67 1.986 -0.267 3.916 887 HD23 LEU 67 3HD2 LEU 67 2.133 -0.043 5.658 888 H VAL 68 H VAL 68 2.924 -1.442 9.124 889 HA VAL 68 HA VAL 68 5.338 -2.315 10.516 890 HB VAL 68 HB VAL 68 2.452 -2.120 11.350 891 HG11 VAL 68 1HG1 VAL 68 4.636 -3.589 12.829 892 HG12 VAL 68 2HG1 VAL 68 3.193 -4.312 12.119 893 HG13 VAL 68 3HG1 VAL 68 3.043 -3.198 13.478 894 HG21 VAL 68 1HG2 VAL 68 3.848 -0.153 11.603 895 HG22 VAL 68 2HG2 VAL 68 5.040 -1.093 12.500 896 HG23 VAL 68 3HG2 VAL 68 3.437 -0.818 13.184 897 H LEU 69 H LEU 69 6.138 -4.146 9.846 898 HA LEU 69 HA LEU 69 4.561 -6.074 8.460 899 HB2 LEU 69 2HB LEU 69 7.413 -6.244 9.400 900 HB3 LEU 69 1HB LEU 69 6.627 -7.368 8.304 901 HG LEU 69 HG LEU 69 7.697 -4.660 7.794 902 HD11 LEU 69 1HD1 LEU 69 7.383 -7.104 6.080 903 HD12 LEU 69 2HD1 LEU 69 8.801 -6.710 7.052 904 HD13 LEU 69 3HD1 LEU 69 8.338 -5.669 5.705 905 HD21 LEU 69 1HD2 LEU 69 5.245 -5.671 6.389 906 HD22 LEU 69 2HD2 LEU 69 6.281 -4.368 5.802 907 HD23 LEU 69 3HD2 LEU 69 5.408 -4.182 7.324 908 H HIS 70 H HIS 70 4.894 -8.481 9.114 909 HA HIS 70 HA HIS 70 3.430 -8.884 11.474 910 HB2 HIS 70 2HB HIS 70 5.001 -10.851 9.816 911 HB3 HIS 70 1HB HIS 70 3.925 -11.309 11.127 912 HD1 HIS 70 1HD HIS 70 1.392 -9.750 10.548 913 HD2 HIS 70 2HD HIS 70 3.732 -11.469 7.576 914 HE1 HIS 70 1HE HIS 70 -0.097 -10.009 8.528 915 H ALA 71 H ALA 71 6.897 -8.718 11.045 916 HA ALA 71 HA ALA 71 7.298 -9.994 13.653 917 HB1 ALA 71 1HB ALA 71 9.348 -9.103 11.630 918 HB2 ALA 71 2HB ALA 71 8.724 -10.744 11.815 919 HB3 ALA 71 3HB ALA 71 9.667 -10.008 13.111 920 H GLY 72 H GLY 72 6.449 -7.042 12.758 921 HA2 GLY 72 2HA GLY 72 6.406 -5.196 14.242 922 HA3 GLY 72 1HA GLY 72 7.850 -5.827 15.026 923 H ASP 73 H ASP 73 8.072 -5.980 11.704 924 HA ASP 73 HA ASP 73 10.166 -4.045 11.564 925 HB2 ASP 73 2HB ASP 73 8.796 -5.127 9.125 926 HB3 ASP 73 1HB ASP 73 10.501 -4.813 9.382 927 H THR 74 H THR 74 10.102 -2.070 10.263 928 HA THR 74 HA THR 74 7.407 -1.190 9.547 929 HB THR 74 HB THR 74 7.718 0.994 10.667 930 HG1 THR 74 1HG THR 74 10.114 0.694 10.753 931 HG21 THR 74 1HG2 THR 74 6.458 -0.727 11.836 932 HG22 THR 74 2HG2 THR 74 7.378 0.254 12.979 933 HG23 THR 74 3HG2 THR 74 7.949 -1.357 12.541 934 H THR 75 H THR 75 7.347 -0.115 7.715 935 HA THR 75 HA THR 75 9.843 1.022 6.644 936 HB THR 75 HB THR 75 7.533 0.392 4.857 937 HG1 THR 75 1HG THR 75 8.966 -1.769 4.803 938 HG21 THR 75 1HG2 THR 75 9.353 -0.144 3.288 939 HG22 THR 75 2HG2 THR 75 10.534 0.162 4.563 940 HG23 THR 75 3HG2 THR 75 9.529 1.480 3.955 941 H ASN 76 H ASN 76 9.849 3.200 6.540 942 HA ASN 76 HA ASN 76 7.315 4.616 6.862 943 HB2 ASN 76 2HB ASN 76 10.152 5.252 7.442 944 HB3 ASN 76 1HB ASN 76 9.111 6.598 6.997 945 HD21 ASN 76 1HD2 ASN 76 9.466 7.403 9.110 946 HD22 ASN 76 2HD2 ASN 76 8.566 6.776 10.442 947 H PHE 77 H PHE 77 6.313 5.522 5.250 948 HA PHE 77 HA PHE 77 7.855 6.313 2.862 949 HB2 PHE 77 2HB PHE 77 5.040 5.214 3.047 950 HB3 PHE 77 1HB PHE 77 5.726 5.915 1.585 951 HD1 PHE 77 1HD PHE 77 8.217 4.881 1.121 952 HD2 PHE 77 2HD PHE 77 4.972 2.932 3.063 953 HE1 PHE 77 1HE PHE 77 9.171 2.698 0.513 954 HE2 PHE 77 2HE PHE 77 5.920 0.746 2.460 955 HZ PHE 77 HZ PHE 77 8.022 0.625 1.184 956 H HIS 78 H HIS 78 8.087 8.447 3.058 957 HA HIS 78 HA HIS 78 5.977 10.077 4.205 958 HB2 HIS 78 2HB HIS 78 8.142 10.666 4.946 959 HB3 HIS 78 1HB HIS 78 8.814 10.583 3.326 960 HD1 HIS 78 1HD HIS 78 9.815 12.980 3.725 961 HD2 HIS 78 2HD HIS 78 5.661 12.798 3.750 962 HE1 HIS 78 1HE HIS 78 8.993 15.357 3.456 963 H PHE 79 H PHE 79 4.422 10.945 3.012 964 HA PHE 79 HA PHE 79 4.613 10.960 0.135 965 HB2 PHE 79 2HB PHE 79 2.449 11.995 1.990 966 HB3 PHE 79 1HB PHE 79 2.318 11.913 0.237 967 HD1 PHE 79 1HD PHE 79 1.795 9.889 -0.865 968 HD2 PHE 79 2HD PHE 79 2.577 9.900 3.317 969 HE1 PHE 79 1HE PHE 79 0.942 7.586 -0.702 970 HE2 PHE 79 2HE PHE 79 1.727 7.599 3.487 971 HZ PHE 79 HZ PHE 79 0.904 6.440 1.476 972 H SER 80 H SER 80 6.342 12.351 -0.200 973 HA SER 80 HA SER 80 6.321 15.029 0.836 974 HB2 SER 80 2HB SER 80 8.325 15.077 -0.939 975 HB3 SER 80 1HB SER 80 8.493 14.357 0.662 976 HG SER 80 HG SER 80 8.790 13.176 -1.693 977 H ASN 81 H ASN 81 4.315 13.887 -1.322 978 HA ASN 81 HA ASN 81 4.770 15.751 -3.480 979 HB2 ASN 81 2HB ASN 81 3.637 13.496 -3.786 980 HB3 ASN 81 1HB ASN 81 2.229 14.194 -2.986 981 HD21 ASN 81 1HD2 ASN 81 1.044 13.841 -4.922 982 HD22 ASN 81 2HD2 ASN 81 1.228 14.921 -6.270 983 H GLU 82 H GLU 82 4.593 17.806 -2.947 984 HA GLU 82 HA GLU 82 2.944 18.822 -0.900 985 HB2 GLU 82 2HB GLU 82 4.134 20.337 -3.233 986 HB3 GLU 82 1HB GLU 82 3.625 21.011 -1.693 987 HG2 GLU 82 2HG GLU 82 5.888 20.904 -1.393 988 HG3 GLU 82 1HG GLU 82 5.392 19.357 -0.711 989 H SER 83 H SER 83 1.966 17.637 -3.829 990 HA SER 83 HA SER 83 -0.085 19.626 -4.317 991 HB2 SER 83 2HB SER 83 0.318 16.972 -5.703 992 HB3 SER 83 1HB SER 83 -0.627 18.346 -6.282 993 HG SER 83 HG SER 83 2.020 18.880 -5.678 994 H THR 84 H THR 84 -0.161 16.065 -3.754 995 HA THR 84 HA THR 84 -2.666 16.503 -2.273 996 HB THR 84 HB THR 84 -3.210 14.115 -3.351 997 HG1 THR 84 1HG THR 84 -1.331 14.047 -4.637 998 HG21 THR 84 1HG2 THR 84 -3.673 16.758 -4.739 999 HG22 THR 84 2HG2 THR 84 -4.652 16.099 -3.429 1000 HG23 THR 84 3HG2 THR 84 -4.602 15.279 -4.990 1001 H ALA 85 H ALA 85 0.008 16.036 -1.230 1002 HA ALA 85 HA ALA 85 0.769 13.539 -0.502 1003 HB1 ALA 85 1HB ALA 85 1.736 14.486 1.500 1004 HB2 ALA 85 2HB ALA 85 0.676 15.892 1.380 1005 HB3 ALA 85 3HB ALA 85 1.916 15.614 0.156 1006 H VAL 86 H VAL 86 -1.559 15.476 1.349 1007 HA VAL 86 HA VAL 86 -2.168 13.585 3.302 1008 HB VAL 86 HB VAL 86 -3.744 15.879 2.172 1009 HG11 VAL 86 1HG1 VAL 86 -5.425 14.350 2.940 1010 HG12 VAL 86 2HG1 VAL 86 -5.254 15.618 4.155 1011 HG13 VAL 86 3HG1 VAL 86 -4.526 14.033 4.424 1012 HG21 VAL 86 1HG2 VAL 86 -3.277 16.907 4.332 1013 HG22 VAL 86 2HG2 VAL 86 -1.802 16.474 3.468 1014 HG23 VAL 86 3HG2 VAL 86 -2.367 15.474 4.807 1015 H LYS 87 H LYS 87 -3.831 14.213 0.211 1016 HA LYS 87 HA LYS 87 -5.814 12.218 0.698 1017 HB2 LYS 87 2HB LYS 87 -5.278 14.219 -1.345 1018 HB3 LYS 87 1HB LYS 87 -5.917 12.719 -2.010 1019 HG2 LYS 87 2HG LYS 87 -7.583 14.538 -1.326 1020 HG3 LYS 87 1HG LYS 87 -7.905 12.882 -0.803 1021 HD2 LYS 87 2HD LYS 87 -6.316 14.015 1.209 1022 HD3 LYS 87 1HD LYS 87 -7.492 15.258 0.782 1023 HE2 LYS 87 2HE LYS 87 -9.285 13.982 1.450 1024 HE3 LYS 87 1HE LYS 87 -8.436 12.459 1.186 1025 HZ1 LYS 87 1HZ LYS 87 -7.315 12.631 3.194 1026 HZ2 LYS 87 2HZ LYS 87 -8.855 13.224 3.582 1027 HZ3 LYS 87 3HZ LYS 87 -7.579 14.302 3.327 1028 H GLU 88 H GLU 88 -2.800 12.260 -1.193 1029 HA GLU 88 HA GLU 88 -3.249 9.748 -2.422 1030 HB2 GLU 88 2HB GLU 88 -0.737 11.313 -1.839 1031 HB3 GLU 88 1HB GLU 88 -0.670 9.712 -2.559 1032 HG2 GLU 88 2HG GLU 88 -1.771 10.415 -4.500 1033 HG3 GLU 88 1HG GLU 88 -2.327 11.909 -3.745 1034 H ARG 89 H ARG 89 -1.950 10.723 0.689 1035 HA ARG 89 HA ARG 89 -1.001 8.206 1.514 1036 HB2 ARG 89 2HB ARG 89 -0.453 10.144 2.853 1037 HB3 ARG 89 1HB ARG 89 -2.157 10.482 3.143 1038 HG2 ARG 89 2HG ARG 89 -1.957 7.933 4.061 1039 HG3 ARG 89 1HG ARG 89 -0.364 8.573 4.458 1040 HD2 ARG 89 2HD ARG 89 -2.166 8.789 6.225 1041 HD3 ARG 89 1HD ARG 89 -1.255 10.243 5.831 1042 HE ARG 89 HE ARG 89 -3.708 10.002 4.353 1043 HH11 ARG 89 1HH1 ARG 89 -2.269 11.058 7.358 1044 HH12 ARG 89 2HH1 ARG 89 -3.529 12.202 7.724 1045 HH21 ARG 89 1HH2 ARG 89 -5.390 11.522 4.829 1046 HH22 ARG 89 2HH2 ARG 89 -5.265 12.492 6.282 1047 H ASP 90 H ASP 90 -4.119 9.797 1.815 1048 HA ASP 90 HA ASP 90 -5.484 7.819 3.266 1049 HB2 ASP 90 2HB ASP 90 -6.328 10.038 1.431 1050 HB3 ASP 90 1HB ASP 90 -7.524 8.874 1.985 1051 H ALA 91 H ALA 91 -4.930 8.223 -0.203 1052 HA ALA 91 HA ALA 91 -6.658 6.203 -1.096 1053 HB1 ALA 91 1HB ALA 91 -5.417 6.278 -3.175 1054 HB2 ALA 91 2HB ALA 91 -4.095 7.136 -2.382 1055 HB3 ALA 91 3HB ALA 91 -5.667 7.915 -2.566 1056 H VAL 92 H VAL 92 -3.249 6.145 -0.148 1057 HA VAL 92 HA VAL 92 -2.884 3.362 -0.742 1058 HB VAL 92 HB VAL 92 -1.250 5.183 1.046 1059 HG11 VAL 92 1HG1 VAL 92 0.540 3.548 0.773 1060 HG12 VAL 92 2HG1 VAL 92 -0.534 2.519 -0.174 1061 HG13 VAL 92 3HG1 VAL 92 -0.875 2.816 1.530 1062 HG21 VAL 92 1HG2 VAL 92 -0.824 4.413 -1.837 1063 HG22 VAL 92 2HG2 VAL 92 0.264 5.394 -0.853 1064 HG23 VAL 92 3HG2 VAL 92 -1.347 5.993 -1.252 1065 H LYS 93 H LYS 93 -3.590 5.300 2.060 1066 HA LYS 93 HA LYS 93 -3.361 3.377 4.064 1067 HB2 LYS 93 2HB LYS 93 -3.417 5.499 4.883 1068 HB3 LYS 93 1HB LYS 93 -4.580 6.045 3.693 1069 HG2 LYS 93 2HG LYS 93 -6.369 4.951 4.947 1070 HG3 LYS 93 1HG LYS 93 -5.188 4.441 6.160 1071 HD2 LYS 93 2HD LYS 93 -4.889 6.564 6.961 1072 HD3 LYS 93 1HD LYS 93 -5.309 7.317 5.421 1073 HE2 LYS 93 2HE LYS 93 -7.347 5.838 7.028 1074 HE3 LYS 93 1HE LYS 93 -6.946 7.515 7.392 1075 HZ1 LYS 93 1HZ LYS 93 -8.810 7.486 5.924 1076 HZ2 LYS 93 2HZ LYS 93 -8.037 6.451 4.829 1077 HZ3 LYS 93 3HZ LYS 93 -7.480 8.048 5.041 1078 H ASP 94 H ASP 94 -6.289 4.571 2.416 1079 HA ASP 94 HA ASP 94 -8.010 2.707 3.650 1080 HB2 ASP 94 2HB ASP 94 -8.231 4.678 1.457 1081 HB3 ASP 94 1HB ASP 94 -9.405 3.369 1.458 1082 H LEU 95 H LEU 95 -6.181 2.581 0.670 1083 HA LEU 95 HA LEU 95 -7.491 0.216 -0.306 1084 HB2 LEU 95 2HB LEU 95 -5.583 2.051 -1.301 1085 HB3 LEU 95 1HB LEU 95 -4.800 0.482 -1.304 1086 HG LEU 95 HG LEU 95 -6.788 -0.404 -2.577 1087 HD11 LEU 95 1HD1 LEU 95 -8.204 1.224 -3.723 1088 HD12 LEU 95 2HD1 LEU 95 -7.417 2.533 -2.839 1089 HD13 LEU 95 3HD1 LEU 95 -8.381 1.338 -1.973 1090 HD21 LEU 95 1HD2 LEU 95 -4.688 0.113 -3.685 1091 HD22 LEU 95 2HD2 LEU 95 -5.171 1.803 -3.845 1092 HD23 LEU 95 3HD2 LEU 95 -6.052 0.547 -4.715 1093 H LEU 96 H LEU 96 -4.699 0.918 1.708 1094 HA LEU 96 HA LEU 96 -3.676 -1.708 1.724 1095 HB2 LEU 96 2HB LEU 96 -3.300 0.709 3.393 1096 HB3 LEU 96 1HB LEU 96 -2.831 -0.831 4.095 1097 HG LEU 96 HG LEU 96 -1.804 0.307 1.495 1098 HD11 LEU 96 1HD1 LEU 96 -0.950 1.495 3.434 1099 HD12 LEU 96 2HD1 LEU 96 0.315 0.516 2.693 1100 HD13 LEU 96 3HD1 LEU 96 -0.471 -0.031 4.174 1101 HD21 LEU 96 1HD2 LEU 96 -1.023 -2.204 2.966 1102 HD22 LEU 96 2HD2 LEU 96 -0.248 -1.568 1.515 1103 HD23 LEU 96 3HD2 LEU 96 -1.918 -2.129 1.449 1104 H GLN 97 H GLN 97 -5.675 -0.030 4.259 1105 HA GLN 97 HA GLN 97 -6.198 -2.266 5.786 1106 HB2 GLN 97 2HB GLN 97 -8.565 -1.048 6.034 1107 HB3 GLN 97 1HB GLN 97 -7.100 -0.438 6.799 1108 HG2 GLN 97 2HG GLN 97 -6.909 0.840 4.497 1109 HG3 GLN 97 1HG GLN 97 -8.656 0.599 4.518 1110 HE21 GLN 97 1HE2 GLN 97 -7.032 0.829 7.510 1111 HE22 GLN 97 2HE2 GLN 97 -7.515 2.443 7.897 1112 H GLN 98 H GLN 98 -7.457 -1.450 2.669 1113 HA GLN 98 HA GLN 98 -9.602 -3.345 2.677 1114 HB2 GLN 98 2HB GLN 98 -8.362 -1.470 0.755 1115 HB3 GLN 98 1HB GLN 98 -9.200 -2.834 0.052 1116 HG2 GLN 98 2HG GLN 98 -10.341 -0.479 0.738 1117 HG3 GLN 98 1HG GLN 98 -11.207 -2.001 0.551 1118 HE21 GLN 98 1HE2 GLN 98 -9.739 0.188 2.838 1119 HE22 GLN 98 2HE2 GLN 98 -10.626 -0.367 4.218 1120 H LEU 99 H LEU 99 -6.369 -3.290 1.143 1121 HA LEU 99 HA LEU 99 -6.754 -5.980 0.137 1122 HB2 LEU 99 2HB LEU 99 -4.418 -4.100 -0.084 1123 HB3 LEU 99 1HB LEU 99 -4.549 -5.645 -0.904 1124 HG LEU 99 HG LEU 99 -6.660 -3.569 -1.300 1125 HD11 LEU 99 1HD1 LEU 99 -4.549 -2.414 -1.709 1126 HD12 LEU 99 2HD1 LEU 99 -5.415 -2.698 -3.219 1127 HD13 LEU 99 3HD1 LEU 99 -4.039 -3.712 -2.787 1128 HD21 LEU 99 1HD2 LEU 99 -6.791 -4.675 -3.509 1129 HD22 LEU 99 2HD2 LEU 99 -7.121 -5.760 -2.160 1130 HD23 LEU 99 3HD2 LEU 99 -5.558 -5.814 -2.974 1131 H LEU 100 H LEU 100 -4.847 -4.435 2.654 1132 HA LEU 100 HA LEU 100 -2.876 -6.243 3.133 1133 HB2 LEU 100 2HB LEU 100 -4.388 -4.434 4.959 1134 HB3 LEU 100 1HB LEU 100 -3.230 -5.562 5.640 1135 HG LEU 100 HG LEU 100 -2.572 -3.522 3.515 1136 HD11 LEU 100 1HD1 LEU 100 -1.416 -2.261 5.249 1137 HD12 LEU 100 2HD1 LEU 100 -1.925 -3.427 6.469 1138 HD13 LEU 100 3HD1 LEU 100 -3.125 -2.422 5.657 1139 HD21 LEU 100 1HD2 LEU 100 -0.848 -5.375 5.139 1140 HD22 LEU 100 2HD2 LEU 100 -0.245 -4.088 4.095 1141 HD23 LEU 100 3HD2 LEU 100 -1.137 -5.442 3.401 1142 HA PRO 101 HA PRO 101 -5.481 -8.848 6.301 1143 HB2 PRO 101 2HB PRO 101 -8.250 -8.449 5.370 1144 HB3 PRO 101 1HB PRO 101 -7.603 -8.498 7.012 1145 HG2 PRO 101 2HG PRO 101 -8.390 -6.200 5.901 1146 HG3 PRO 101 1HG PRO 101 -6.983 -6.272 6.978 1147 HD2 PRO 101 2HD PRO 101 -7.078 -6.123 3.991 1148 HD3 PRO 101 1HD PRO 101 -5.992 -5.296 5.127 1149 H LYS 102 H LYS 102 -7.323 -8.692 3.213 1150 HA LYS 102 HA LYS 102 -7.716 -11.471 3.062 1151 HB2 LYS 102 2HB LYS 102 -8.381 -11.106 0.740 1152 HB3 LYS 102 1HB LYS 102 -9.100 -9.914 1.811 1153 HG2 LYS 102 2HG LYS 102 -7.505 -8.250 1.095 1154 HG3 LYS 102 1HG LYS 102 -6.669 -9.442 0.097 1155 HD2 LYS 102 2HD LYS 102 -7.994 -8.757 -1.570 1156 HD3 LYS 102 1HD LYS 102 -9.286 -9.632 -0.748 1157 HE2 LYS 102 2HE LYS 102 -8.599 -6.713 -0.430 1158 HE3 LYS 102 1HE LYS 102 -10.001 -7.376 -1.267 1159 HZ1 LYS 102 1HZ LYS 102 -10.787 -8.272 0.843 1160 HZ2 LYS 102 2HZ LYS 102 -10.565 -6.598 0.955 1161 HZ3 LYS 102 3HZ LYS 102 -9.432 -7.649 1.642 1162 H PHE 103 H PHE 103 -4.902 -9.648 2.379 1163 HA PHE 103 HA PHE 103 -3.828 -11.876 0.795 1164 HB2 PHE 103 2HB PHE 103 -2.984 -8.998 1.040 1165 HB3 PHE 103 1HB PHE 103 -1.951 -10.220 0.305 1166 HD1 PHE 103 1HD PHE 103 -4.249 -7.738 -0.388 1167 HD2 PHE 103 2HD PHE 103 -3.281 -11.732 -1.475 1168 HE1 PHE 103 1HE PHE 103 -5.421 -7.436 -2.527 1169 HE2 PHE 103 2HE PHE 103 -4.449 -11.436 -3.617 1170 HZ PHE 103 HZ PHE 103 -5.515 -9.284 -4.144 1171 H LYS 104 H LYS 104 -3.817 -10.605 3.893 1172 HA LYS 104 HA LYS 104 -1.127 -11.130 4.640 1173 HB2 LYS 104 2HB LYS 104 -3.671 -10.585 6.094 1174 HB3 LYS 104 1HB LYS 104 -2.330 -11.278 6.995 1175 HG2 LYS 104 2HG LYS 104 -0.951 -9.420 6.566 1176 HG3 LYS 104 1HG LYS 104 -2.047 -8.798 5.332 1177 HD2 LYS 104 2HD LYS 104 -2.190 -7.561 7.471 1178 HD3 LYS 104 1HD LYS 104 -3.719 -8.307 6.998 1179 HE2 LYS 104 2HE LYS 104 -3.442 -10.066 8.568 1180 HE3 LYS 104 1HE LYS 104 -1.771 -9.605 8.886 1181 HZ1 LYS 104 1HZ LYS 104 -4.207 -8.064 9.607 1182 HZ2 LYS 104 2HZ LYS 104 -2.615 -7.505 9.806 1183 HZ3 LYS 104 3HZ LYS 104 -3.145 -8.865 10.670 1184 H ARG 105 H ARG 105 -0.259 -13.070 4.535 1185 HA ARG 105 HA ARG 105 -1.853 -15.351 5.489 1186 HB2 ARG 105 2HB ARG 105 0.277 -15.321 3.335 1187 HB3 ARG 105 1HB ARG 105 -0.527 -16.765 3.941 1188 HG2 ARG 105 2HG ARG 105 -2.438 -16.349 2.806 1189 HG3 ARG 105 1HG ARG 105 -2.280 -14.600 2.961 1190 HD2 ARG 105 2HD ARG 105 -0.380 -14.756 1.300 1191 HD3 ARG 105 1HD ARG 105 -0.877 -16.426 1.024 1192 HE ARG 105 HE ARG 105 -3.169 -15.116 0.622 1193 HH11 ARG 105 1HH1 ARG 105 0.056 -14.474 -0.571 1194 HH12 ARG 105 2HH1 ARG 105 -0.491 -13.733 -2.051 1195 HH21 ARG 105 1HH2 ARG 105 -3.889 -14.158 -1.338 1196 HH22 ARG 105 2HH2 ARG 105 -2.722 -13.574 -2.495 1197 H LYS 106 H LYS 106 -1.178 -15.324 7.533 1198 HA LYS 106 HA LYS 106 1.111 -16.629 8.353 1199 HB2 LYS 106 2HB LYS 106 1.540 -13.757 7.942 1200 HB3 LYS 106 1HB LYS 106 1.921 -14.281 9.577 1201 HG2 LYS 106 2HG LYS 106 3.450 -15.963 8.694 1202 HG3 LYS 106 1HG LYS 106 3.052 -15.468 7.048 1203 HD2 LYS 106 2HD LYS 106 3.763 -13.094 8.129 1204 HD3 LYS 106 1HD LYS 106 4.796 -14.189 9.046 1205 HE2 LYS 106 2HE LYS 106 6.042 -13.527 7.145 1206 HE3 LYS 106 1HE LYS 106 5.510 -15.179 6.843 1207 HZ1 LYS 106 1HZ LYS 106 3.751 -13.070 5.875 1208 HZ2 LYS 106 2HZ LYS 106 4.191 -14.532 5.150 1209 HZ3 LYS 106 3HZ LYS 106 5.246 -13.204 5.083 1210 H ALA 107 H ALA 107 -1.590 -14.640 8.868 1211 HA ALA 107 HA ALA 107 -3.179 -14.565 10.467 1212 HB1 ALA 107 1HB ALA 107 -2.873 -16.980 10.706 1213 HB2 ALA 107 2HB ALA 107 -3.257 -16.211 12.246 1214 HB3 ALA 107 3HB ALA 107 -1.600 -16.699 11.894 1215 H ASN 108 H ASN 108 -2.059 -12.429 10.664 1216 HA ASN 108 HA ASN 108 -1.919 -11.688 13.371 1217 HB2 ASN 108 2HB ASN 108 0.315 -12.693 13.309 1218 HB3 ASN 108 1HB ASN 108 0.735 -11.714 11.908 1219 HD21 ASN 108 1HD2 ASN 108 2.512 -10.926 13.118 1220 HD22 ASN 108 2HD2 ASN 108 2.297 -9.691 14.303 Start of MODEL 10 1 H ARG 390 2HT ARG 390 13.368 22.080 2.176 2 HA ARG 390 HA ARG 390 11.703 21.269 0.736 3 HB2 ARG 390 2HB ARG 390 10.202 23.369 1.753 4 HB3 ARG 390 1HB ARG 390 10.453 23.825 0.074 5 HG2 ARG 390 2HG ARG 390 9.650 21.035 0.444 6 HG3 ARG 390 1HG ARG 390 8.458 22.213 0.992 7 HD2 ARG 390 2HD ARG 390 7.938 21.775 -1.268 8 HD3 ARG 390 1HD ARG 390 8.741 23.345 -1.257 9 HE ARG 390 HE ARG 390 10.698 22.296 -2.146 10 HH11 ARG 390 1HH1 ARG 390 7.793 20.316 -2.152 11 HH12 ARG 390 2HH1 ARG 390 8.441 19.174 -3.293 12 HH21 ARG 390 1HH2 ARG 390 11.526 20.802 -3.653 13 HH22 ARG 390 2HH2 ARG 390 10.584 19.421 -4.122 14 H ARG 391 H ARG 391 14.372 22.445 0.550 15 HA ARG 391 HA ARG 391 14.338 24.006 -1.906 16 HB2 ARG 391 2HB ARG 391 16.044 24.716 -0.468 17 HB3 ARG 391 1HB ARG 391 16.472 23.077 -0.007 18 HG2 ARG 391 2HG ARG 391 16.996 23.180 -2.732 19 HG3 ARG 391 1HG ARG 391 17.538 24.742 -2.112 20 HD2 ARG 391 2HD ARG 391 19.177 22.724 -2.098 21 HD3 ARG 391 1HD ARG 391 19.096 23.786 -0.690 22 HE ARG 391 HE ARG 391 17.444 22.024 0.170 23 HH11 ARG 391 1HH1 ARG 391 20.253 21.284 -1.799 24 HH12 ARG 391 2HH1 ARG 391 20.349 19.637 -1.240 25 HH21 ARG 391 1HH2 ARG 391 17.567 19.908 0.875 26 HH22 ARG 391 2HH2 ARG 391 18.848 18.864 0.308 27 H ARG 392 H ARG 392 15.703 20.926 -0.823 28 HA ARG 392 HA ARG 392 14.944 19.641 -3.302 29 HB2 ARG 392 2HB ARG 392 17.250 20.604 -3.715 30 HB3 ARG 392 1HB ARG 392 17.842 19.574 -2.418 31 HG2 ARG 392 2HG ARG 392 18.175 18.714 -4.760 32 HG3 ARG 392 1HG ARG 392 17.388 17.607 -3.635 33 HD2 ARG 392 2HD ARG 392 15.203 18.725 -4.628 34 HD3 ARG 392 1HD ARG 392 16.274 19.040 -5.994 35 HE ARG 392 HE ARG 392 16.727 16.451 -5.602 36 HH11 ARG 392 1HH1 ARG 392 13.703 18.207 -5.721 37 HH12 ARG 392 2HH1 ARG 392 12.776 16.840 -6.233 38 HH21 ARG 392 1HH2 ARG 392 15.519 14.647 -6.291 39 HH22 ARG 392 2HH2 ARG 392 13.807 14.789 -6.557 40 H THR 393 H THR 393 13.878 19.473 -0.936 41 HA THR 393 HA THR 393 14.723 17.828 1.056 42 HB THR 393 HB THR 393 12.029 17.194 0.719 43 HG1 THR 393 1HG THR 393 11.807 18.574 -1.052 44 HG21 THR 393 1HG2 THR 393 11.647 19.013 2.362 45 HG22 THR 393 2HG2 THR 393 13.305 19.558 2.101 46 HG23 THR 393 3HG2 THR 393 12.999 17.967 2.799 47 H GLU 394 H GLU 394 12.957 16.885 -1.852 48 HA GLU 394 HA GLU 394 12.500 14.258 -1.527 49 HB2 GLU 394 2HB GLU 394 13.464 15.604 -4.045 50 HB3 GLU 394 1HB GLU 394 12.659 14.043 -3.978 51 HG2 GLU 394 2HG GLU 394 10.882 15.369 -4.472 52 HG3 GLU 394 1HG GLU 394 10.810 15.426 -2.712 53 H ALA 395 H ALA 395 15.349 15.062 -3.546 54 HA ALA 395 HA ALA 395 17.099 13.433 -1.977 55 HB1 ALA 395 1HB ALA 395 16.238 12.298 -4.632 56 HB2 ALA 395 2HB ALA 395 15.792 11.661 -3.049 57 HB3 ALA 395 3HB ALA 395 17.479 11.641 -3.564 58 H LEU 396 H LEU 396 19.219 13.444 -2.671 59 HA LEU 396 HA LEU 396 20.198 14.478 -5.078 60 HB2 LEU 396 2HB LEU 396 19.172 16.579 -4.101 61 HB3 LEU 396 1HB LEU 396 20.350 16.467 -2.807 62 HG LEU 396 HG LEU 396 22.158 16.619 -4.541 63 HD11 LEU 396 1HD1 LEU 396 19.861 17.346 -6.353 64 HD12 LEU 396 2HD1 LEU 396 20.829 15.876 -6.459 65 HD13 LEU 396 3HD1 LEU 396 21.576 17.446 -6.750 66 HD21 LEU 396 1HD2 LEU 396 21.537 18.557 -3.237 67 HD22 LEU 396 2HD2 LEU 396 20.205 18.907 -4.338 68 HD23 LEU 396 3HD2 LEU 396 21.873 19.042 -4.899 69 H GLY 397 H GLY 397 20.506 13.770 -1.722 70 HA2 GLY 397 2HA GLY 397 22.367 12.119 -1.301 71 HA3 GLY 397 1HA GLY 397 23.408 13.348 -2.018 72 H ASP 398 H ASP 398 21.511 15.347 -0.755 73 HA ASP 398 HA ASP 398 22.973 15.634 1.729 74 HB2 ASP 398 2HB ASP 398 21.945 17.845 1.827 75 HB3 ASP 398 1HB ASP 398 22.631 17.574 0.228 76 H ALA 399 H ALA 399 21.431 16.807 3.442 77 HA ALA 399 HA ALA 399 18.909 15.412 3.767 78 HB1 ALA 399 1HB ALA 399 21.107 15.219 5.829 79 HB2 ALA 399 2HB ALA 399 20.534 13.902 4.806 80 HB3 ALA 399 3HB ALA 399 19.460 14.614 6.009 81 H GLU 400 H GLU 400 18.083 17.597 3.466 82 HA GLU 400 HA GLU 400 18.884 19.603 5.308 83 HB2 GLU 400 2HB GLU 400 17.109 21.013 4.362 84 HB3 GLU 400 1HB GLU 400 18.144 20.324 3.126 85 HG2 GLU 400 2HG GLU 400 16.442 18.698 2.565 86 HG3 GLU 400 1HG GLU 400 15.412 19.298 3.865 87 H GLU 401 H GLU 401 16.922 16.992 5.497 88 HA GLU 401 HA GLU 401 16.227 17.382 8.179 89 HB2 GLU 401 2HB GLU 401 13.667 17.127 7.703 90 HB3 GLU 401 1HB GLU 401 14.390 18.726 7.705 91 HG2 GLU 401 2HG GLU 401 12.899 18.602 5.870 92 HG3 GLU 401 1HG GLU 401 14.539 18.587 5.226 93 H ASP 402 H ASP 402 14.521 15.447 8.713 94 HA ASP 402 HA ASP 402 15.121 13.212 6.920 95 HB2 ASP 402 2HB ASP 402 16.861 13.151 8.650 96 HB3 ASP 402 1HB ASP 402 15.626 13.159 9.906 97 H GLU 403 H GLU 403 13.767 11.377 7.214 98 HA GLU 403 HA GLU 403 11.036 11.999 7.579 99 HB2 GLU 403 2HB GLU 403 12.654 9.631 6.928 100 HB3 GLU 403 1HB GLU 403 11.167 9.261 7.787 101 HG2 GLU 403 2HG GLU 403 11.013 9.178 5.298 102 HG3 GLU 403 1HG GLU 403 9.834 10.224 6.085 103 H ASP 404 H ASP 404 9.930 12.231 9.447 104 HA ASP 404 HA ASP 404 11.185 11.436 11.912 105 HB2 ASP 404 2HB ASP 404 8.970 12.306 12.907 106 HB3 ASP 404 1HB ASP 404 10.057 13.472 12.173 107 H ASP 405 H ASP 405 11.337 9.323 11.903 108 HA ASP 405 HA ASP 405 9.275 7.525 11.166 109 HB2 ASP 405 2HB ASP 405 11.718 6.969 12.862 110 HB3 ASP 405 1HB ASP 405 10.762 5.786 11.978 111 H GLU 406 H GLU 406 8.431 9.449 13.129 112 HA GLU 406 HA GLU 406 7.396 7.597 15.134 113 HB2 GLU 406 2HB GLU 406 9.299 8.693 16.210 114 HB3 GLU 406 1HB GLU 406 8.680 10.269 15.747 115 HG2 GLU 406 2HG GLU 406 8.265 9.854 18.085 116 HG3 GLU 406 1HG GLU 406 6.745 9.938 17.196 117 H ASP 407 H ASP 407 5.463 8.392 16.193 118 HA ASP 407 HA ASP 407 3.466 9.359 16.308 119 HB2 ASP 407 2HB ASP 407 4.776 11.497 16.323 120 HB3 ASP 407 1HB ASP 407 4.448 11.613 14.598 121 H PHE 408 H PHE 408 3.134 7.405 14.951 122 HA PHE 408 HA PHE 408 1.697 8.221 12.519 123 HB2 PHE 408 2HB PHE 408 3.313 5.688 12.976 124 HB3 PHE 408 1HB PHE 408 2.140 5.858 11.690 125 HD1 PHE 408 1HD PHE 408 5.113 7.681 13.029 126 HD2 PHE 408 2HD PHE 408 2.919 6.382 9.630 127 HE1 PHE 408 1HE PHE 408 6.840 8.623 11.555 128 HE2 PHE 408 2HE PHE 408 4.636 7.325 8.152 129 HZ PHE 408 HZ PHE 408 6.591 8.453 9.116 130 H VAL 409 H VAL 409 -0.328 7.777 12.588 131 HA VAL 409 HA VAL 409 -1.363 6.410 14.903 132 HB VAL 409 HB VAL 409 -3.568 7.257 13.924 133 HG11 VAL 409 1HG1 VAL 409 -2.261 8.298 15.679 134 HG12 VAL 409 2HG1 VAL 409 -2.981 9.516 14.623 135 HG13 VAL 409 3HG1 VAL 409 -1.275 9.097 14.457 136 HG21 VAL 409 1HG2 VAL 409 -3.372 9.086 12.344 137 HG22 VAL 409 2HG2 VAL 409 -2.892 7.549 11.622 138 HG23 VAL 409 3HG2 VAL 409 -1.663 8.708 12.130 139 H GLU 410 H GLU 410 -1.842 4.399 14.925 140 HA GLU 410 HA GLU 410 -1.253 2.721 12.829 141 HB2 GLU 410 2HB GLU 410 -1.464 2.140 15.294 142 HB3 GLU 410 1HB GLU 410 -3.194 1.969 15.003 143 HG2 GLU 410 2HG GLU 410 -2.826 -0.111 14.341 144 HG3 GLU 410 1HG GLU 410 -1.923 0.529 12.969 145 H VAL 411 H VAL 411 -2.233 2.140 11.113 146 HA VAL 411 HA VAL 411 -5.002 2.912 10.646 147 HB VAL 411 HB VAL 411 -3.047 1.855 8.575 148 HG11 VAL 411 1HG1 VAL 411 -5.530 3.559 8.395 149 HG12 VAL 411 2HG1 VAL 411 -5.432 1.844 7.996 150 HG13 VAL 411 3HG1 VAL 411 -4.535 3.024 7.041 151 HG21 VAL 411 1HG2 VAL 411 -2.042 3.738 9.616 152 HG22 VAL 411 2HG2 VAL 411 -3.523 4.675 9.405 153 HG23 VAL 411 3HG2 VAL 411 -2.606 4.140 7.994 154 HA PRO 412 HA PRO 412 -5.865 -1.431 11.428 155 HB2 PRO 412 2HB PRO 412 -8.533 -1.165 11.536 156 HB3 PRO 412 1HB PRO 412 -7.499 -0.577 12.846 157 HG2 PRO 412 2HG PRO 412 -8.701 0.959 10.560 158 HG3 PRO 412 1HG PRO 412 -8.691 1.366 12.287 159 HD2 PRO 412 2HD PRO 412 -6.933 2.434 10.541 160 HD3 PRO 412 1HD PRO 412 -6.503 2.092 12.230 161 H GLU 413 H GLU 413 -7.383 -3.025 10.363 162 HA GLU 413 HA GLU 413 -7.307 -2.604 7.478 163 HB2 GLU 413 2HB GLU 413 -8.131 -5.153 8.855 164 HB3 GLU 413 1HB GLU 413 -7.422 -4.947 7.257 165 HG2 GLU 413 2HG GLU 413 -5.354 -4.089 8.501 166 HG3 GLU 413 1HG GLU 413 -6.087 -4.806 9.933 167 H LYS 414 H LYS 414 -9.225 -3.097 6.169 168 HA LYS 414 HA LYS 414 -11.697 -2.689 7.705 169 HB2 LYS 414 2HB LYS 414 -10.694 -1.309 5.288 170 HB3 LYS 414 1HB LYS 414 -12.423 -1.626 5.376 171 HG2 LYS 414 2HG LYS 414 -12.740 -0.006 6.862 172 HG3 LYS 414 1HG LYS 414 -11.393 -0.555 7.860 173 HD2 LYS 414 2HD LYS 414 -10.615 1.504 7.240 174 HD3 LYS 414 1HD LYS 414 -9.964 0.519 5.930 175 HE2 LYS 414 2HE LYS 414 -11.428 1.336 4.390 176 HE3 LYS 414 1HE LYS 414 -12.675 1.679 5.588 177 HZ1 LYS 414 1HZ LYS 414 -11.714 3.700 6.142 178 HZ2 LYS 414 2HZ LYS 414 -11.348 3.626 4.484 179 HZ3 LYS 414 3HZ LYS 414 -10.169 3.231 5.629 180 H GLU 415 H GLU 415 -10.377 -4.007 4.698 181 HA GLU 415 HA GLU 415 -10.979 -5.725 3.362 182 HB2 GLU 415 2HB GLU 415 -10.716 -7.000 5.459 183 HB3 GLU 415 1HB GLU 415 -12.424 -6.763 5.800 184 HG2 GLU 415 2HG GLU 415 -13.075 -8.344 4.339 185 HG3 GLU 415 1HG GLU 415 -11.809 -7.945 3.178 186 H GLY 416 H GLY 416 -13.915 -5.378 5.343 187 HA2 GLY 416 2HA GLY 416 -15.511 -5.534 2.888 188 HA3 GLY 416 1HA GLY 416 -16.111 -5.755 4.524 189 H TYR 417 H TYR 417 -14.638 -3.286 2.459 190 HA TYR 417 HA TYR 417 -16.672 -1.402 3.346 191 HB2 TYR 417 2HB TYR 417 -15.274 -0.259 4.677 192 HB3 TYR 417 1HB TYR 417 -13.960 -1.355 4.281 193 HD1 TYR 417 1HD TYR 417 -15.311 1.961 3.853 194 HD2 TYR 417 2HD TYR 417 -12.485 -0.820 2.311 195 HE1 TYR 417 1HE TYR 417 -14.132 3.794 2.710 196 HE2 TYR 417 2HE TYR 417 -11.308 1.002 1.164 197 HH TYR 417 HH TYR 417 -11.629 4.139 1.877 198 H GLU 418 H GLU 418 -17.134 0.188 1.831 199 HA GLU 418 HA GLU 418 -16.104 -0.334 -0.854 200 HB2 GLU 418 2HB GLU 418 -18.648 0.050 0.004 201 HB3 GLU 418 1HB GLU 418 -18.217 1.704 -0.401 202 HG2 GLU 418 2HG GLU 418 -18.026 -0.640 -2.280 203 HG3 GLU 418 1HG GLU 418 -19.354 0.516 -2.231 204 HA PRO 419 HA PRO 419 -13.056 2.915 -0.636 205 HB2 PRO 419 2HB PRO 419 -14.128 3.222 -3.424 206 HB3 PRO 419 1HB PRO 419 -12.454 3.316 -2.855 207 HG2 PRO 419 2HG PRO 419 -13.331 1.075 -3.948 208 HG3 PRO 419 1HG PRO 419 -12.308 1.014 -2.500 209 HD2 PRO 419 2HD PRO 419 -15.225 0.503 -2.777 210 HD3 PRO 419 1HD PRO 419 -14.064 -0.169 -1.614 211 H HIS 420 H HIS 420 -16.279 3.615 -2.009 212 HA HIS 420 HA HIS 420 -15.896 6.393 -1.145 213 HB2 HIS 420 2HB HIS 420 -16.763 5.910 -3.478 214 HB3 HIS 420 1HB HIS 420 -18.250 5.367 -2.706 215 HD1 HIS 420 1HD HIS 420 -18.492 7.748 -4.556 216 HD2 HIS 420 2HD HIS 420 -17.639 8.128 -0.489 217 HE1 HIS 420 1HE HIS 420 -19.167 10.096 -3.901 218 H ILE 421 H ILE 421 -16.028 5.909 1.012 219 HA ILE 421 HA ILE 421 -18.766 5.928 1.940 220 HB ILE 421 HB ILE 421 -17.317 3.546 2.082 221 HG12 ILE 421 2HG1 ILE 421 -19.504 4.218 4.014 222 HG13 ILE 421 1HG1 ILE 421 -19.832 4.212 2.286 223 HG21 ILE 421 1HG2 ILE 421 -17.374 4.888 4.778 224 HG22 ILE 421 2HG2 ILE 421 -15.931 4.443 3.864 225 HG23 ILE 421 3HG2 ILE 421 -17.003 3.188 4.490 226 HD11 ILE 421 1HD1 ILE 421 -20.448 2.089 3.262 227 HD12 ILE 421 2HD1 ILE 421 -18.823 1.892 3.921 228 HD13 ILE 421 3HD1 ILE 421 -19.076 1.870 2.175 229 HA PRO 422 HA PRO 422 -17.182 8.957 4.646 230 HB2 PRO 422 2HB PRO 422 -18.853 7.887 6.827 231 HB3 PRO 422 1HB PRO 422 -18.953 9.445 6.005 232 HG2 PRO 422 2HG PRO 422 -20.789 7.536 5.636 233 HG3 PRO 422 1HG PRO 422 -20.285 8.611 4.320 234 HD2 PRO 422 2HD PRO 422 -19.465 5.802 4.891 235 HD3 PRO 422 1HD PRO 422 -19.882 6.563 3.341 236 H ASP 423 H ASP 423 -15.049 7.903 4.811 237 HA ASP 423 HA ASP 423 -14.425 5.941 6.719 238 HB2 ASP 423 2HB ASP 423 -12.926 6.536 4.848 239 HB3 ASP 423 1HB ASP 423 -12.601 8.089 5.614 240 H HIS 424 H HIS 424 -14.308 6.007 8.839 241 HA HIS 424 HA HIS 424 -14.624 8.536 10.224 242 HB2 HIS 424 2HB HIS 424 -14.446 5.754 11.394 243 HB3 HIS 424 1HB HIS 424 -15.020 7.203 12.208 244 HD1 HIS 424 1HD HIS 424 -17.400 8.123 11.395 245 HD2 HIS 424 2HD HIS 424 -16.288 4.404 9.918 246 HE1 HIS 424 1HE HIS 424 -19.502 7.075 10.466 247 H LEU 425 H LEU 425 -12.054 6.703 9.181 248 HA LEU 425 HA LEU 425 -10.334 7.152 11.463 249 HB2 LEU 425 2HB LEU 425 -9.617 6.158 8.705 250 HB3 LEU 425 1HB LEU 425 -8.623 6.053 10.146 251 HG LEU 425 HG LEU 425 -11.287 4.666 9.861 252 HD11 LEU 425 1HD1 LEU 425 -10.003 2.625 9.464 253 HD12 LEU 425 2HD1 LEU 425 -8.514 3.569 9.428 254 HD13 LEU 425 3HD1 LEU 425 -9.743 3.813 8.186 255 HD21 LEU 425 1HD2 LEU 425 -10.605 5.054 12.159 256 HD22 LEU 425 2HD2 LEU 425 -9.022 4.348 11.829 257 HD23 LEU 425 3HD2 LEU 425 -10.469 3.341 11.760 258 H ARG 426 H ARG 426 -10.924 9.525 11.232 259 HA ARG 426 HA ARG 426 -9.253 10.887 9.242 260 HB2 ARG 426 2HB ARG 426 -11.319 12.061 11.115 261 HB3 ARG 426 1HB ARG 426 -10.475 12.917 9.836 262 HG2 ARG 426 2HG ARG 426 -12.611 10.833 9.605 263 HG3 ARG 426 1HG ARG 426 -12.592 12.477 8.969 264 HD2 ARG 426 2HD ARG 426 -10.977 10.124 8.010 265 HD3 ARG 426 1HD ARG 426 -12.283 10.939 7.155 266 HE ARG 426 HE ARG 426 -10.493 12.935 7.510 267 HH11 ARG 426 1HH1 ARG 426 -10.153 9.646 6.356 268 HH12 ARG 426 2HH1 ARG 426 -8.872 10.026 5.244 269 HH21 ARG 426 1HH2 ARG 426 -8.827 13.457 6.006 270 HH22 ARG 426 2HH2 ARG 426 -8.132 12.180 5.023 271 HA PRO 427 HA PRO 427 -6.584 11.610 12.797 272 HB2 PRO 427 2HB PRO 427 -4.310 11.679 11.152 273 HB3 PRO 427 1HB PRO 427 -4.919 10.272 12.023 274 HG2 PRO 427 2HG PRO 427 -4.829 10.609 9.225 275 HG3 PRO 427 1HG PRO 427 -5.670 9.327 10.110 276 HD2 PRO 427 2HD PRO 427 -6.748 11.846 8.940 277 HD3 PRO 427 1HD PRO 427 -7.527 10.260 9.127 278 H GLU 428 H GLU 428 -7.972 13.608 11.060 279 HA GLU 428 HA GLU 428 -6.009 15.746 10.805 280 HB2 GLU 428 2HB GLU 428 -8.949 15.772 10.096 281 HB3 GLU 428 1HB GLU 428 -7.736 16.950 9.613 282 HG2 GLU 428 2HG GLU 428 -6.950 15.663 7.945 283 HG3 GLU 428 1HG GLU 428 -7.195 14.164 8.840 284 H TYR 429 H TYR 429 -6.044 17.580 12.042 285 HA TYR 429 HA TYR 429 -7.852 17.469 14.358 286 HB2 TYR 429 2HB TYR 429 -5.160 18.816 14.045 287 HB3 TYR 429 1HB TYR 429 -6.175 18.941 15.479 288 HD1 TYR 429 1HD TYR 429 -6.472 17.025 16.964 289 HD2 TYR 429 2HD TYR 429 -3.950 16.781 13.548 290 HE1 TYR 429 1HE TYR 429 -5.469 14.965 17.858 291 HE2 TYR 429 2HE TYR 429 -2.939 14.721 14.433 292 HH TYR 429 HH TYR 429 -2.648 13.534 16.454 293 H GLY 430 H GLY 430 -7.001 19.231 11.561 294 HA2 GLY 430 2HA GLY 430 -9.049 21.230 12.215 295 HA3 GLY 430 1HA GLY 430 -7.445 21.805 11.782 296 H LEU 431 H LEU 431 -8.715 18.922 10.367 297 HA LEU 431 HA LEU 431 -9.337 18.332 8.272 298 HB2 LEU 431 2HB LEU 431 -10.215 21.215 8.075 299 HB3 LEU 431 1HB LEU 431 -10.595 19.972 6.899 300 HG LEU 431 HG LEU 431 -11.480 19.943 9.787 301 HD11 LEU 431 1HD1 LEU 431 -13.017 20.593 7.276 302 HD12 LEU 431 2HD1 LEU 431 -12.556 21.734 8.540 303 HD13 LEU 431 3HD1 LEU 431 -13.701 20.441 8.895 304 HD21 LEU 431 1HD2 LEU 431 -11.227 17.708 8.842 305 HD22 LEU 431 2HD2 LEU 431 -12.220 18.170 7.461 306 HD23 LEU 431 3HD2 LEU 431 -12.929 18.105 9.074 307 H GLU 432 H GLU 432 -6.695 18.889 8.688 308 HA GLU 432 HA GLU 432 -5.637 20.613 6.651 309 HB2 GLU 432 2HB GLU 432 -4.119 18.447 8.099 310 HB3 GLU 432 1HB GLU 432 -3.494 19.942 7.420 311 HG2 GLU 432 2HG GLU 432 -3.522 20.591 9.571 312 HG3 GLU 432 1HG GLU 432 -5.207 20.960 9.207 313 H ALA 433 H ALA 433 -7.206 19.279 5.135 314 HA ALA 433 HA ALA 433 -6.145 16.792 4.156 315 HB1 ALA 433 1HB ALA 433 -7.936 16.901 2.515 316 HB2 ALA 433 2HB ALA 433 -8.282 18.566 2.983 317 HB3 ALA 433 3HB ALA 433 -8.550 17.253 4.130 318 H ALA 434 H ALA 434 -3.984 17.964 3.888 319 HA ALA 434 HA ALA 434 -3.802 19.270 1.261 320 HB1 ALA 434 1HB ALA 434 -2.820 20.497 3.145 321 HB2 ALA 434 2HB ALA 434 -1.592 20.023 1.970 322 HB3 ALA 434 3HB ALA 434 -1.758 19.129 3.480 323 H MET 1 2HT MET 1 -3.852 -10.177 -9.859 324 HA MET 1 HA MET 1 -2.694 -12.210 -8.941 325 HB2 MET 1 2HB MET 1 -2.045 -12.975 -11.145 326 HB3 MET 1 1HB MET 1 -3.499 -11.997 -11.279 327 HG2 MET 1 2HG MET 1 -2.182 -10.111 -12.058 328 HG3 MET 1 1HG MET 1 -0.703 -11.052 -11.873 329 HE1 MET 1 1HE MET 1 -0.976 -10.832 -15.745 330 HE2 MET 1 2HE MET 1 0.038 -10.563 -14.327 331 HE3 MET 1 3HE MET 1 -1.399 -9.573 -14.585 332 H ALA 2 H ALA 2 -0.782 -13.157 -8.374 333 HA ALA 2 HA ALA 2 1.488 -11.375 -8.075 334 HB1 ALA 2 1HB ALA 2 2.408 -13.041 -6.617 335 HB2 ALA 2 2HB ALA 2 1.227 -14.234 -7.155 336 HB3 ALA 2 3HB ALA 2 0.702 -12.837 -6.214 337 H THR 3 H THR 3 2.942 -11.213 -9.620 338 HA THR 3 HA THR 3 4.075 -13.580 -10.852 339 HB THR 3 HB THR 3 3.139 -11.528 -12.823 340 HG1 THR 3 1HG THR 3 1.529 -13.437 -11.506 341 HG21 THR 3 1HG2 THR 3 3.080 -13.487 -14.309 342 HG22 THR 3 2HG2 THR 3 3.542 -14.520 -12.956 343 HG23 THR 3 3HG2 THR 3 4.660 -13.292 -13.551 344 H SER 4 H SER 4 4.695 -11.061 -9.224 345 HA SER 4 HA SER 4 6.537 -9.790 -8.857 346 HB2 SER 4 2HB SER 4 7.699 -10.909 -11.420 347 HB3 SER 4 1HB SER 4 8.576 -10.105 -10.116 348 HG SER 4 HG SER 4 7.355 -12.647 -10.126 349 H SER 5 H SER 5 4.303 -9.365 -10.969 350 HA SER 5 HA SER 5 5.005 -6.631 -11.557 351 HB2 SER 5 2HB SER 5 4.290 -8.551 -13.799 352 HB3 SER 5 1HB SER 5 4.521 -6.811 -13.964 353 HG SER 5 HG SER 5 6.664 -7.872 -12.764 354 H GLU 6 H GLU 6 3.333 -7.184 -9.758 355 HA GLU 6 HA GLU 6 0.722 -7.961 -10.439 356 HB2 GLU 6 2HB GLU 6 1.794 -6.364 -8.109 357 HB3 GLU 6 1HB GLU 6 0.139 -6.940 -8.224 358 HG2 GLU 6 2HG GLU 6 1.441 -8.390 -6.803 359 HG3 GLU 6 1HG GLU 6 0.945 -9.249 -8.258 360 H GLU 7 H GLU 7 -1.129 -6.786 -10.670 361 HA GLU 7 HA GLU 7 -1.045 -4.514 -12.273 362 HB2 GLU 7 2HB GLU 7 -3.364 -5.267 -10.489 363 HB3 GLU 7 1HB GLU 7 -3.424 -4.437 -12.035 364 HG2 GLU 7 2HG GLU 7 -4.071 -6.504 -12.703 365 HG3 GLU 7 1HG GLU 7 -2.328 -6.685 -12.887 366 H VAL 8 H VAL 8 -0.699 -2.431 -11.810 367 HA VAL 8 HA VAL 8 -0.375 -1.625 -9.059 368 HB VAL 8 HB VAL 8 -0.223 0.165 -11.490 369 HG11 VAL 8 1HG1 VAL 8 -0.369 1.294 -9.323 370 HG12 VAL 8 2HG1 VAL 8 1.209 1.536 -10.076 371 HG13 VAL 8 3HG1 VAL 8 1.029 0.380 -8.756 372 HG21 VAL 8 1HG2 VAL 8 1.980 -1.468 -10.232 373 HG22 VAL 8 2HG2 VAL 8 2.204 -0.233 -11.472 374 HG23 VAL 8 3HG2 VAL 8 1.295 -1.699 -11.841 375 H LEU 9 H LEU 9 -2.289 -1.528 -8.058 376 HA LEU 9 HA LEU 9 -4.654 -0.474 -9.281 377 HB2 LEU 9 2HB LEU 9 -4.197 -0.985 -6.349 378 HB3 LEU 9 1HB LEU 9 -5.731 -0.904 -7.191 379 HG LEU 9 HG LEU 9 -3.654 -3.075 -7.494 380 HD11 LEU 9 1HD1 LEU 9 -5.294 -4.493 -6.409 381 HD12 LEU 9 2HD1 LEU 9 -6.402 -3.129 -6.258 382 HD13 LEU 9 3HD1 LEU 9 -4.878 -3.131 -5.370 383 HD21 LEU 9 1HD2 LEU 9 -5.328 -4.208 -8.873 384 HD22 LEU 9 2HD2 LEU 9 -4.823 -2.680 -9.595 385 HD23 LEU 9 3HD2 LEU 9 -6.376 -2.792 -8.766 386 H LEU 10 H LEU 10 -2.105 0.769 -7.227 387 HA LEU 10 HA LEU 10 -3.409 3.408 -7.422 388 HB2 LEU 10 2HB LEU 10 -3.701 2.215 -5.167 389 HB3 LEU 10 1HB LEU 10 -1.999 2.563 -4.912 390 HG LEU 10 HG LEU 10 -2.587 5.009 -5.340 391 HD11 LEU 10 1HD1 LEU 10 -4.763 4.681 -6.371 392 HD12 LEU 10 2HD1 LEU 10 -4.908 5.651 -4.905 393 HD13 LEU 10 3HD1 LEU 10 -5.371 3.949 -4.888 394 HD21 LEU 10 1HD2 LEU 10 -3.743 3.610 -2.935 395 HD22 LEU 10 2HD2 LEU 10 -3.375 5.332 -3.042 396 HD23 LEU 10 3HD2 LEU 10 -2.074 4.145 -3.132 397 H ILE 11 H ILE 11 -2.115 4.953 -8.125 398 HA ILE 11 HA ILE 11 0.788 4.491 -8.005 399 HB ILE 11 HB ILE 11 -0.773 6.072 -10.060 400 HG12 ILE 11 2HG1 ILE 11 0.737 3.454 -10.220 401 HG13 ILE 11 1HG1 ILE 11 -0.998 3.683 -10.407 402 HG21 ILE 11 1HG2 ILE 11 1.353 6.439 -11.177 403 HG22 ILE 11 2HG2 ILE 11 2.196 5.557 -9.904 404 HG23 ILE 11 3HG2 ILE 11 1.406 7.090 -9.538 405 HD11 ILE 11 1HD1 ILE 11 -0.608 4.946 -12.458 406 HD12 ILE 11 2HD1 ILE 11 0.082 3.324 -12.547 407 HD13 ILE 11 3HD1 ILE 11 1.131 4.714 -12.267 408 H VAL 12 H VAL 12 1.573 5.622 -6.391 409 HA VAL 12 HA VAL 12 0.539 8.318 -5.811 410 HB VAL 12 HB VAL 12 2.501 6.800 -4.108 411 HG11 VAL 12 1HG1 VAL 12 2.161 9.127 -3.562 412 HG12 VAL 12 2HG1 VAL 12 1.450 8.110 -2.307 413 HG13 VAL 12 3HG1 VAL 12 0.416 8.889 -3.505 414 HG21 VAL 12 1HG2 VAL 12 -0.500 6.540 -3.958 415 HG22 VAL 12 2HG2 VAL 12 0.671 5.820 -2.854 416 HG23 VAL 12 3HG2 VAL 12 0.607 5.295 -4.536 417 H LYS 13 H LYS 13 1.898 10.097 -5.991 418 HA LYS 13 HA LYS 13 4.573 9.479 -7.068 419 HB2 LYS 13 2HB LYS 13 2.536 11.461 -7.915 420 HB3 LYS 13 1HB LYS 13 4.221 11.959 -7.996 421 HG2 LYS 13 2HG LYS 13 2.983 9.572 -9.350 422 HG3 LYS 13 1HG LYS 13 3.551 11.056 -10.120 423 HD2 LYS 13 2HD LYS 13 5.834 10.562 -9.397 424 HD3 LYS 13 1HD LYS 13 5.270 9.089 -8.605 425 HE2 LYS 13 2HE LYS 13 4.459 8.303 -10.838 426 HE3 LYS 13 1HE LYS 13 5.257 9.704 -11.554 427 HZ1 LYS 13 1HZ LYS 13 6.511 7.419 -10.145 428 HZ2 LYS 13 2HZ LYS 13 7.351 8.864 -10.451 429 HZ3 LYS 13 3HZ LYS 13 6.762 7.931 -11.738 430 H LYS 14 H LYS 14 6.198 11.132 -6.753 431 HA LYS 14 HA LYS 14 7.621 12.128 -5.322 432 HB2 LYS 14 2HB LYS 14 5.115 13.674 -5.332 433 HB3 LYS 14 1HB LYS 14 6.302 14.120 -4.108 434 HG2 LYS 14 2HG LYS 14 6.807 13.971 -7.077 435 HG3 LYS 14 1HG LYS 14 6.512 15.451 -6.160 436 HD2 LYS 14 2HD LYS 14 8.583 15.446 -5.227 437 HD3 LYS 14 1HD LYS 14 8.676 13.685 -5.182 438 HE2 LYS 14 2HE LYS 14 8.664 14.927 -7.861 439 HE3 LYS 14 1HE LYS 14 10.099 15.212 -6.879 440 HZ1 LYS 14 1HZ LYS 14 10.502 13.268 -8.113 441 HZ2 LYS 14 2HZ LYS 14 8.991 12.596 -7.752 442 HZ3 LYS 14 3HZ LYS 14 10.177 12.742 -6.538 443 H VAL 15 H VAL 15 7.365 9.967 -4.170 444 HA VAL 15 HA VAL 15 6.557 10.467 -1.379 445 HB VAL 15 HB VAL 15 6.580 7.852 -2.900 446 HG11 VAL 15 1HG1 VAL 15 7.394 7.477 -0.637 447 HG12 VAL 15 2HG1 VAL 15 5.767 6.821 -0.822 448 HG13 VAL 15 3HG1 VAL 15 6.010 8.351 0.020 449 HG21 VAL 15 1HG2 VAL 15 4.344 9.399 -1.604 450 HG22 VAL 15 2HG2 VAL 15 4.187 7.842 -2.417 451 HG23 VAL 15 3HG2 VAL 15 4.649 9.274 -3.337 452 H ARG 16 H ARG 16 8.120 10.339 0.084 453 HA ARG 16 HA ARG 16 10.797 9.627 -0.882 454 HB2 ARG 16 2HB ARG 16 9.731 11.553 1.108 455 HB3 ARG 16 1HB ARG 16 11.325 10.876 1.390 456 HG2 ARG 16 2HG ARG 16 12.101 11.731 -0.728 457 HG3 ARG 16 1HG ARG 16 10.482 12.340 -1.096 458 HD2 ARG 16 2HD ARG 16 12.286 13.934 -0.084 459 HD3 ARG 16 1HD ARG 16 10.611 14.023 0.459 460 HE ARG 16 HE ARG 16 11.871 12.224 2.147 461 HH11 ARG 16 1HH1 ARG 16 12.186 15.591 1.308 462 HH12 ARG 16 2HH1 ARG 16 12.874 16.041 2.844 463 HH21 ARG 16 1HH2 ARG 16 12.686 12.829 4.191 464 HH22 ARG 16 2HH2 ARG 16 13.113 14.500 4.482 465 H GLN 17 H GLN 17 12.114 8.300 0.177 466 HA GLN 17 HA GLN 17 11.095 6.942 2.586 467 HB2 GLN 17 2HB GLN 17 11.549 5.733 0.195 468 HB3 GLN 17 1HB GLN 17 13.160 5.636 0.884 469 HG2 GLN 17 2HG GLN 17 10.652 4.570 2.159 470 HG3 GLN 17 1HG GLN 17 11.842 3.614 1.279 471 HE21 GLN 17 1HE2 GLN 17 11.039 5.163 4.220 472 HE22 GLN 17 2HE2 GLN 17 12.425 4.652 5.122 473 H LYS 18 H LYS 18 12.154 8.055 4.148 474 HA LYS 18 HA LYS 18 13.741 9.271 5.226 475 HB2 LYS 18 2HB LYS 18 14.873 6.602 4.606 476 HB3 LYS 18 1HB LYS 18 15.870 7.765 5.478 477 HG2 LYS 18 2HG LYS 18 13.666 7.968 6.941 478 HG3 LYS 18 1HG LYS 18 13.402 6.340 6.320 479 HD2 LYS 18 2HD LYS 18 14.568 5.873 8.238 480 HD3 LYS 18 1HD LYS 18 15.895 5.996 7.083 481 HE2 LYS 18 2HE LYS 18 16.444 7.218 9.099 482 HE3 LYS 18 1HE LYS 18 16.237 8.340 7.756 483 HZ1 LYS 18 1HZ LYS 18 14.286 7.796 9.943 484 HZ2 LYS 18 2HZ LYS 18 13.956 8.750 8.585 485 HZ3 LYS 18 3HZ LYS 18 15.158 9.234 9.671 486 H LYS 19 H LYS 19 13.719 10.775 3.342 487 HA LYS 19 HA LYS 19 14.760 12.328 2.103 488 HB2 LYS 19 2HB LYS 19 16.950 11.081 3.577 489 HB3 LYS 19 1HB LYS 19 17.438 12.021 2.171 490 HG2 LYS 19 2HG LYS 19 15.928 12.949 4.607 491 HG3 LYS 19 1HG LYS 19 17.538 13.444 4.080 492 HD2 LYS 19 2HD LYS 19 15.680 13.950 1.973 493 HD3 LYS 19 1HD LYS 19 15.038 14.630 3.467 494 HE2 LYS 19 2HE LYS 19 16.327 16.412 2.969 495 HE3 LYS 19 1HE LYS 19 17.655 15.426 3.581 496 HZ1 LYS 19 1HZ LYS 19 16.801 15.540 0.735 497 HZ2 LYS 19 2HZ LYS 19 18.132 14.692 1.351 498 HZ3 LYS 19 3HZ LYS 19 18.124 16.386 1.382 499 H GLN 20 H GLN 20 14.060 9.701 0.908 500 HA GLN 20 HA GLN 20 15.837 9.883 -1.439 501 HB2 GLN 20 2HB GLN 20 14.407 7.471 -0.320 502 HB3 GLN 20 1HB GLN 20 15.131 7.506 -1.920 503 HG2 GLN 20 2HG GLN 20 17.316 7.820 -0.991 504 HG3 GLN 20 1HG GLN 20 16.647 7.995 0.631 505 HE21 GLN 20 1HE2 GLN 20 15.802 6.179 1.675 506 HE22 GLN 20 2HE2 GLN 20 16.239 4.575 1.195 507 H ASP 21 H ASP 21 14.890 10.641 -3.197 508 HA ASP 21 HA ASP 21 12.074 11.167 -3.308 509 HB2 ASP 21 2HB ASP 21 13.917 12.616 -4.293 510 HB3 ASP 21 1HB ASP 21 14.067 11.415 -5.568 511 H GLY 22 H GLY 22 10.515 9.907 -4.145 512 HA2 GLY 22 2HA GLY 22 11.013 8.160 -6.361 513 HA3 GLY 22 1HA GLY 22 10.824 7.287 -4.851 514 H ALA 23 H ALA 23 9.033 6.300 -5.936 515 HA ALA 23 HA ALA 23 6.561 7.790 -5.464 516 HB1 ALA 23 1HB ALA 23 7.007 8.080 -7.845 517 HB2 ALA 23 2HB ALA 23 5.605 7.040 -7.593 518 HB3 ALA 23 3HB ALA 23 7.159 6.334 -8.039 519 H LEU 24 H LEU 24 4.839 6.495 -4.870 520 HA LEU 24 HA LEU 24 5.586 3.742 -4.165 521 HB2 LEU 24 2HB LEU 24 4.887 5.405 -2.381 522 HB3 LEU 24 1HB LEU 24 3.277 5.333 -3.075 523 HG LEU 24 HG LEU 24 3.434 2.797 -2.690 524 HD11 LEU 24 1HD1 LEU 24 5.823 2.701 -2.246 525 HD12 LEU 24 2HD1 LEU 24 4.894 2.111 -0.870 526 HD13 LEU 24 3HD1 LEU 24 5.607 3.722 -0.825 527 HD21 LEU 24 1HD2 LEU 24 1.935 4.199 -1.432 528 HD22 LEU 24 2HD2 LEU 24 3.257 4.753 -0.404 529 HD23 LEU 24 3HD2 LEU 24 2.725 3.073 -0.328 530 H TYR 25 H TYR 25 4.603 2.081 -5.098 531 HA TYR 25 HA TYR 25 2.154 2.631 -6.641 532 HB2 TYR 25 2HB TYR 25 4.289 0.601 -7.322 533 HB3 TYR 25 1HB TYR 25 2.861 0.982 -8.276 534 HD1 TYR 25 1HD TYR 25 6.252 1.953 -7.433 535 HD2 TYR 25 2HD TYR 25 2.709 3.167 -9.452 536 HE1 TYR 25 1HE TYR 25 7.537 3.656 -8.651 537 HE2 TYR 25 2HE TYR 25 3.985 4.875 -10.678 538 HH TYR 25 HH TYR 25 7.406 4.946 -10.698 539 H LEU 26 H LEU 26 0.470 1.721 -5.682 540 HA LEU 26 HA LEU 26 0.811 -0.579 -3.959 541 HB2 LEU 26 2HB LEU 26 -1.674 0.925 -4.778 542 HB3 LEU 26 1HB LEU 26 -1.656 -0.416 -3.650 543 HG LEU 26 HG LEU 26 -0.740 2.383 -3.276 544 HD11 LEU 26 1HD1 LEU 26 -1.840 2.076 -1.114 545 HD12 LEU 26 2HD1 LEU 26 -2.151 0.386 -1.516 546 HD13 LEU 26 3HD1 LEU 26 -2.918 1.671 -2.451 547 HD21 LEU 26 1HD2 LEU 26 0.361 0.049 -1.735 548 HD22 LEU 26 2HD2 LEU 26 0.587 1.753 -1.337 549 HD23 LEU 26 3HD2 LEU 26 1.268 1.097 -2.826 550 H MET 27 H MET 27 0.649 -2.606 -4.625 551 HA MET 27 HA MET 27 -0.480 -3.058 -7.306 552 HB2 MET 27 2HB MET 27 1.227 -5.102 -6.003 553 HB3 MET 27 1HB MET 27 1.088 -4.621 -7.691 554 HG2 MET 27 2HG MET 27 2.229 -2.445 -6.957 555 HG3 MET 27 1HG MET 27 2.685 -3.348 -5.514 556 HE1 MET 27 1HE MET 27 3.693 -2.248 -8.871 557 HE2 MET 27 2HE MET 27 2.633 -3.548 -9.413 558 HE3 MET 27 3HE MET 27 4.370 -3.649 -9.700 559 H ALA 28 H ALA 28 -1.649 -5.033 -7.628 560 HA ALA 28 HA ALA 28 -3.755 -5.424 -5.917 561 HB1 ALA 28 1HB ALA 28 -2.608 -7.340 -7.933 562 HB2 ALA 28 2HB ALA 28 -3.837 -6.104 -8.212 563 HB3 ALA 28 3HB ALA 28 -4.199 -7.494 -7.187 564 H GLU 29 H GLU 29 -0.626 -7.067 -5.778 565 HA GLU 29 HA GLU 29 -1.673 -8.604 -3.493 566 HB2 GLU 29 2HB GLU 29 0.728 -9.541 -4.994 567 HB3 GLU 29 1HB GLU 29 -0.451 -10.472 -4.084 568 HG2 GLU 29 2HG GLU 29 -0.969 -9.174 -6.751 569 HG3 GLU 29 1HG GLU 29 -0.531 -10.862 -6.520 570 H ARG 30 H ARG 30 0.433 -6.087 -4.240 571 HA ARG 30 HA ARG 30 1.711 -6.316 -1.668 572 HB2 ARG 30 2HB ARG 30 4.006 -6.415 -2.420 573 HB3 ARG 30 1HB ARG 30 3.129 -7.808 -3.038 574 HG2 ARG 30 2HG ARG 30 3.033 -6.876 -5.228 575 HG3 ARG 30 1HG ARG 30 3.632 -5.319 -4.655 576 HD2 ARG 30 2HD ARG 30 5.795 -6.112 -4.374 577 HD3 ARG 30 1HD ARG 30 5.275 -7.796 -4.292 578 HE ARG 30 HE ARG 30 4.623 -7.325 -6.771 579 HH11 ARG 30 1HH1 ARG 30 7.508 -6.181 -5.111 580 HH12 ARG 30 2HH1 ARG 30 8.434 -6.079 -6.572 581 HH21 ARG 30 1HH2 ARG 30 5.824 -7.193 -8.643 582 HH22 ARG 30 2HH2 ARG 30 7.475 -6.660 -8.599 583 H ILE 31 H ILE 31 3.489 -4.582 -1.462 584 HA ILE 31 HA ILE 31 2.679 -2.170 -2.935 585 HB ILE 31 HB ILE 31 1.771 -1.877 -0.746 586 HG12 ILE 31 2HG1 ILE 31 4.436 -0.442 -0.782 587 HG13 ILE 31 1HG1 ILE 31 3.010 0.068 -1.680 588 HG21 ILE 31 1HG2 ILE 31 2.965 -3.648 0.399 589 HG22 ILE 31 2HG2 ILE 31 3.079 -2.140 1.307 590 HG23 ILE 31 3HG2 ILE 31 4.452 -2.701 0.353 591 HD11 ILE 31 1HD1 ILE 31 3.253 -0.101 1.316 592 HD12 ILE 31 2HD1 ILE 31 1.808 0.385 0.428 593 HD13 ILE 31 3HD1 ILE 31 3.269 1.371 0.342 594 H ALA 32 H ALA 32 4.335 -1.119 -3.894 595 HA ALA 32 HA ALA 32 7.047 -1.699 -2.938 596 HB1 ALA 32 1HB ALA 32 6.580 -3.176 -4.832 597 HB2 ALA 32 2HB ALA 32 7.847 -2.007 -5.205 598 HB3 ALA 32 3HB ALA 32 6.216 -1.769 -5.832 599 H TRP 33 H TRP 33 8.572 -0.134 -3.297 600 HA TRP 33 HA TRP 33 7.580 2.456 -4.281 601 HB2 TRP 33 2HB TRP 33 7.707 2.562 -1.846 602 HB3 TRP 33 1HB TRP 33 9.352 1.942 -1.878 603 HD1 TRP 33 HD TRP 33 7.352 5.110 -2.773 604 HE1 TRP 33 1HE TRP 33 8.980 7.108 -2.835 605 HE3 TRP 33 3HE TRP 33 11.750 2.595 -2.093 606 HZ2 TRP 33 2HZ TRP 33 11.750 7.550 -2.623 607 HZ3 TRP 33 3HZ TRP 33 13.842 3.885 -2.022 608 HH2 TRP 33 HH TRP 33 13.841 6.310 -2.297 609 H ALA 34 H ALA 34 8.848 3.420 -5.741 610 HA ALA 34 HA ALA 34 11.599 2.431 -6.086 611 HB1 ALA 34 1HB ALA 34 11.318 2.496 -8.512 612 HB2 ALA 34 2HB ALA 34 9.627 2.959 -8.311 613 HB3 ALA 34 3HB ALA 34 10.177 1.371 -7.777 614 HA PRO 35 HA PRO 35 12.589 6.741 -5.878 615 HB2 PRO 35 2HB PRO 35 14.912 6.635 -7.391 616 HB3 PRO 35 1HB PRO 35 14.810 6.300 -5.661 617 HG2 PRO 35 2HG PRO 35 14.886 4.400 -7.960 618 HG3 PRO 35 1HG PRO 35 15.637 4.260 -6.359 619 HD2 PRO 35 2HD PRO 35 13.397 2.913 -7.005 620 HD3 PRO 35 1HD PRO 35 13.677 3.537 -5.365 621 H GLU 36 H GLU 36 12.322 8.545 -7.126 622 HA GLU 36 HA GLU 36 10.720 8.396 -9.375 623 HB2 GLU 36 2HB GLU 36 11.154 10.368 -7.784 624 HB3 GLU 36 1HB GLU 36 12.496 10.759 -8.851 625 HG2 GLU 36 2HG GLU 36 10.667 12.077 -9.545 626 HG3 GLU 36 1HG GLU 36 10.853 10.798 -10.745 627 H GLY 37 H GLY 37 11.019 8.092 -11.445 628 HA2 GLY 37 2HA GLY 37 12.039 8.227 -13.529 629 HA3 GLY 37 1HA GLY 37 13.489 8.842 -12.754 630 H LYS 38 H LYS 38 12.591 6.124 -11.081 631 HA LYS 38 HA LYS 38 14.326 4.450 -12.772 632 HB2 LYS 38 2HB LYS 38 14.064 4.586 -9.777 633 HB3 LYS 38 1HB LYS 38 14.750 3.180 -10.580 634 HG2 LYS 38 2HG LYS 38 16.694 4.254 -10.354 635 HG3 LYS 38 1HG LYS 38 16.152 5.204 -11.739 636 HD2 LYS 38 2HD LYS 38 14.952 6.553 -9.741 637 HD3 LYS 38 1HD LYS 38 16.374 5.946 -8.890 638 HE2 LYS 38 2HE LYS 38 17.076 8.000 -9.732 639 HE3 LYS 38 1HE LYS 38 17.699 6.838 -10.903 640 HZ1 LYS 38 1HZ LYS 38 16.631 8.785 -11.933 641 HZ2 LYS 38 2HZ LYS 38 15.161 8.349 -11.215 642 HZ3 LYS 38 3HZ LYS 38 15.878 7.330 -12.365 643 H ASP 39 H ASP 39 13.767 2.322 -13.133 644 HA ASP 39 HA ASP 39 10.941 1.704 -12.667 645 HB2 ASP 39 2HB ASP 39 11.152 0.124 -14.491 646 HB3 ASP 39 1HB ASP 39 11.844 1.660 -15.001 647 H ARG 40 H ARG 40 13.654 1.259 -11.050 648 HA ARG 40 HA ARG 40 13.171 -1.563 -10.396 649 HB2 ARG 40 2HB ARG 40 15.510 -0.562 -11.079 650 HB3 ARG 40 1HB ARG 40 15.550 -0.047 -9.399 651 HG2 ARG 40 2HG ARG 40 16.683 -2.108 -9.484 652 HG3 ARG 40 1HG ARG 40 15.105 -2.451 -8.775 653 HD2 ARG 40 2HD ARG 40 15.806 -4.127 -10.462 654 HD3 ARG 40 1HD ARG 40 14.294 -3.317 -10.872 655 HE ARG 40 HE ARG 40 16.905 -2.775 -12.129 656 HH11 ARG 40 1HH1 ARG 40 13.407 -2.800 -12.230 657 HH12 ARG 40 2HH1 ARG 40 13.323 -2.135 -13.836 658 HH21 ARG 40 1HH2 ARG 40 16.770 -1.925 -14.274 659 HH22 ARG 40 2HH2 ARG 40 15.206 -1.632 -14.972 660 H PHE 41 H PHE 41 11.899 -1.848 -8.709 661 HA PHE 41 HA PHE 41 11.445 0.184 -6.742 662 HB2 PHE 41 2HB PHE 41 10.601 -2.715 -6.591 663 HB3 PHE 41 1HB PHE 41 9.872 -1.343 -5.767 664 HD1 PHE 41 1HD PHE 41 10.036 -3.265 -8.831 665 HD2 PHE 41 2HD PHE 41 8.504 0.270 -7.027 666 HE1 PHE 41 1HE PHE 41 8.429 -3.026 -10.678 667 HE2 PHE 41 2HE PHE 41 6.894 0.517 -8.870 668 HZ PHE 41 HZ PHE 41 6.854 -1.132 -10.699 669 H THR 42 H THR 42 12.687 0.545 -5.025 670 HA THR 42 HA THR 42 14.711 -1.370 -4.255 671 HB THR 42 HB THR 42 15.002 0.556 -2.424 672 HG1 THR 42 1HG THR 42 14.052 2.399 -2.974 673 HG21 THR 42 1HG2 THR 42 16.546 1.675 -3.971 674 HG22 THR 42 2HG2 THR 42 15.800 0.829 -5.326 675 HG23 THR 42 3HG2 THR 42 16.675 -0.079 -4.094 676 H ILE 43 H ILE 43 11.617 -0.259 -3.182 677 HA ILE 43 HA ILE 43 11.812 -1.967 -0.787 678 HB ILE 43 HB ILE 43 9.950 0.370 -1.262 679 HG12 ILE 43 2HG1 ILE 43 12.303 1.054 -0.883 680 HG13 ILE 43 1HG1 ILE 43 11.238 1.558 0.423 681 HG21 ILE 43 1HG2 ILE 43 10.337 -1.356 1.178 682 HG22 ILE 43 2HG2 ILE 43 8.931 -1.347 0.115 683 HG23 ILE 43 3HG2 ILE 43 9.313 0.076 1.085 684 HD11 ILE 43 1HD1 ILE 43 13.336 0.749 1.299 685 HD12 ILE 43 2HD1 ILE 43 13.120 -0.789 0.464 686 HD13 ILE 43 3HD1 ILE 43 12.025 -0.334 1.770 687 H SER 44 H SER 44 10.586 -3.756 -0.826 688 HA SER 44 HA SER 44 8.089 -3.747 -2.329 689 HB2 SER 44 2HB SER 44 9.682 -4.615 -3.944 690 HB3 SER 44 1HB SER 44 10.303 -5.767 -2.764 691 HG SER 44 HG SER 44 8.416 -6.899 -2.866 692 H HIS 45 H HIS 45 6.624 -4.301 -0.879 693 HA HIS 45 HA HIS 45 7.212 -6.552 0.933 694 HB2 HIS 45 2HB HIS 45 5.805 -3.960 1.587 695 HB3 HIS 45 1HB HIS 45 5.699 -5.393 2.601 696 HD1 HIS 45 1HD HIS 45 8.180 -6.242 3.517 697 HD2 HIS 45 2HD HIS 45 7.811 -2.323 2.207 698 HE1 HIS 45 1HE HIS 45 10.111 -4.971 4.534 699 H MET 46 H MET 46 5.733 -8.126 0.948 700 HA MET 46 HA MET 46 3.407 -7.789 -0.761 701 HB2 MET 46 2HB MET 46 4.470 -10.153 0.813 702 HB3 MET 46 1HB MET 46 2.980 -10.203 -0.115 703 HG2 MET 46 2HG MET 46 5.588 -9.463 -1.383 704 HG3 MET 46 1HG MET 46 5.102 -11.144 -1.174 705 HE1 MET 46 1HE MET 46 5.796 -10.136 -4.023 706 HE2 MET 46 2HE MET 46 4.435 -10.742 -4.966 707 HE3 MET 46 3HE MET 46 5.146 -11.743 -3.701 708 H TYR 47 H TYR 47 1.275 -7.883 0.026 709 HA TYR 47 HA TYR 47 0.864 -6.675 2.536 710 HB2 TYR 47 2HB TYR 47 -1.121 -8.212 0.852 711 HB3 TYR 47 1HB TYR 47 -1.532 -7.155 2.199 712 HD1 TYR 47 1HD TYR 47 0.271 -4.864 1.706 713 HD2 TYR 47 2HD TYR 47 -2.049 -7.175 -1.006 714 HE1 TYR 47 1HE TYR 47 0.176 -2.951 0.165 715 HE2 TYR 47 2HE TYR 47 -2.149 -5.271 -2.552 716 HH TYR 47 HH TYR 47 -1.499 -3.202 -2.961 717 H ALA 48 H ALA 48 1.295 -9.941 1.626 718 HA ALA 48 HA ALA 48 0.014 -11.185 3.843 719 HB1 ALA 48 1HB ALA 48 2.142 -12.266 2.001 720 HB2 ALA 48 2HB ALA 48 0.401 -12.355 1.729 721 HB3 ALA 48 3HB ALA 48 1.127 -13.212 3.090 722 H ASP 49 H ASP 49 2.932 -9.464 3.557 723 HA ASP 49 HA ASP 49 4.090 -10.837 5.886 724 HB2 ASP 49 2HB ASP 49 5.568 -8.647 4.497 725 HB3 ASP 49 1HB ASP 49 6.188 -10.109 5.247 726 H ILE 50 H ILE 50 2.292 -8.135 5.019 727 HA ILE 50 HA ILE 50 3.380 -6.409 7.100 728 HB ILE 50 HB ILE 50 1.009 -5.903 5.297 729 HG12 ILE 50 2HG1 ILE 50 3.846 -4.906 4.966 730 HG13 ILE 50 1HG1 ILE 50 3.191 -6.284 4.088 731 HG21 ILE 50 1HG2 ILE 50 1.062 -4.552 7.337 732 HG22 ILE 50 2HG2 ILE 50 1.347 -3.567 5.902 733 HG23 ILE 50 3HG2 ILE 50 2.697 -4.021 6.942 734 HD11 ILE 50 1HD1 ILE 50 1.513 -4.832 3.071 735 HD12 ILE 50 2HD1 ILE 50 3.151 -4.275 2.731 736 HD13 ILE 50 3HD1 ILE 50 2.175 -3.455 3.950 737 H LYS 51 H LYS 51 2.561 -6.270 9.082 738 HA LYS 51 HA LYS 51 0.361 -7.949 9.881 739 HB2 LYS 51 2HB LYS 51 2.445 -7.584 11.228 740 HB3 LYS 51 1HB LYS 51 1.923 -5.931 11.504 741 HG2 LYS 51 2HG LYS 51 0.164 -6.588 12.880 742 HG3 LYS 51 1HG LYS 51 0.192 -8.248 12.279 743 HD2 LYS 51 2HD LYS 51 1.144 -8.033 14.557 744 HD3 LYS 51 1HD LYS 51 2.305 -8.658 13.384 745 HE2 LYS 51 2HE LYS 51 3.036 -6.197 13.128 746 HE3 LYS 51 1HE LYS 51 2.172 -5.936 14.643 747 HZ1 LYS 51 1HZ LYS 51 4.590 -6.405 14.885 748 HZ2 LYS 51 2HZ LYS 51 4.312 -7.970 14.302 749 HZ3 LYS 51 3HZ LYS 51 3.595 -7.464 15.751 750 H CYS 52 H CYS 52 1.059 -4.491 10.244 751 HA CYS 52 HA CYS 52 -1.681 -3.793 9.597 752 HB2 CYS 52 2HB CYS 52 -1.635 -2.256 11.710 753 HB3 CYS 52 1HB CYS 52 -2.084 -3.948 11.892 754 HG CYS 52 HG CYS 52 0.163 -2.317 13.508 755 H GLN 53 H GLN 53 -1.704 -1.105 9.940 756 HA GLN 53 HA GLN 53 0.892 -0.203 8.923 757 HB2 GLN 53 2HB GLN 53 -0.631 1.253 7.362 758 HB3 GLN 53 1HB GLN 53 -0.306 -0.411 6.924 759 HG2 GLN 53 2HG GLN 53 -2.421 -1.123 7.595 760 HG3 GLN 53 1HG GLN 53 -2.719 0.345 8.519 761 HE21 GLN 53 1HE2 GLN 53 -1.635 1.989 6.294 762 HE22 GLN 53 2HE2 GLN 53 -2.899 2.029 5.120 763 H LYS 54 H LYS 54 1.002 2.224 9.078 764 HA LYS 54 HA LYS 54 -0.889 3.457 10.959 765 HB2 LYS 54 2HB LYS 54 2.109 3.749 11.373 766 HB3 LYS 54 1HB LYS 54 0.815 4.346 12.384 767 HG2 LYS 54 2HG LYS 54 0.411 1.620 12.363 768 HG3 LYS 54 1HG LYS 54 2.168 1.804 12.437 769 HD2 LYS 54 2HD LYS 54 1.175 3.737 14.171 770 HD3 LYS 54 1HD LYS 54 0.172 2.316 14.463 771 HE2 LYS 54 2HE LYS 54 3.168 2.259 14.398 772 HE3 LYS 54 1HE LYS 54 2.228 2.498 15.869 773 HZ1 LYS 54 1HZ LYS 54 1.171 0.354 15.508 774 HZ2 LYS 54 2HZ LYS 54 2.856 0.182 15.590 775 HZ3 LYS 54 3HZ LYS 54 2.073 0.125 14.093 776 H ILE 55 H ILE 55 -0.478 5.832 10.989 777 HA ILE 55 HA ILE 55 0.914 6.789 8.548 778 HB ILE 55 HB ILE 55 -1.129 8.376 8.318 779 HG12 ILE 55 2HG1 ILE 55 -2.242 6.176 10.034 780 HG13 ILE 55 1HG1 ILE 55 -2.115 7.877 10.435 781 HG21 ILE 55 1HG2 ILE 55 -1.531 5.451 7.683 782 HG22 ILE 55 2HG2 ILE 55 -0.594 6.579 6.701 783 HG23 ILE 55 3HG2 ILE 55 -2.332 6.811 6.897 784 HD11 ILE 55 1HD1 ILE 55 -3.935 6.643 8.407 785 HD12 ILE 55 2HD1 ILE 55 -3.769 8.374 8.707 786 HD13 ILE 55 3HD1 ILE 55 -4.372 7.312 9.980 787 H SER 56 H SER 56 2.151 8.675 9.029 788 HA SER 56 HA SER 56 1.891 9.754 11.661 789 HB2 SER 56 2HB SER 56 3.214 11.759 10.508 790 HB3 SER 56 1HB SER 56 4.020 10.255 10.939 791 HG SER 56 HG SER 56 3.832 11.377 8.574 792 HA PRO 57 HA PRO 57 -2.090 11.419 10.908 793 HB2 PRO 57 2HB PRO 57 -2.008 13.021 13.184 794 HB3 PRO 57 1HB PRO 57 -2.524 11.333 13.118 795 HG2 PRO 57 2HG PRO 57 0.135 12.472 13.871 796 HG3 PRO 57 1HG PRO 57 -0.762 11.131 14.610 797 HD2 PRO 57 2HD PRO 57 1.278 10.654 13.001 798 HD3 PRO 57 1HD PRO 57 -0.190 9.657 12.914 799 H GLU 58 H GLU 58 -3.138 13.540 10.735 800 HA GLU 58 HA GLU 58 -1.569 15.437 9.344 801 HB2 GLU 58 2HB GLU 58 -4.396 15.367 10.350 802 HB3 GLU 58 1HB GLU 58 -3.724 16.877 9.748 803 HG2 GLU 58 2HG GLU 58 -4.983 15.665 8.034 804 HG3 GLU 58 1HG GLU 58 -3.289 15.876 7.596 805 H GLY 59 H GLY 59 -1.172 17.654 10.024 806 HA2 GLY 59 2HA GLY 59 -0.920 19.294 11.743 807 HA3 GLY 59 1HA GLY 59 -1.105 18.012 12.941 808 H LYS 60 H LYS 60 0.642 16.170 11.578 809 HA LYS 60 HA LYS 60 3.152 16.948 12.658 810 HB2 LYS 60 2HB LYS 60 2.167 14.666 10.980 811 HB3 LYS 60 1HB LYS 60 3.898 14.955 11.045 812 HG2 LYS 60 2HG LYS 60 2.438 14.807 13.623 813 HG3 LYS 60 1HG LYS 60 2.663 13.312 12.717 814 HD2 LYS 60 2HD LYS 60 5.060 15.005 12.977 815 HD3 LYS 60 1HD LYS 60 4.457 14.312 14.481 816 HE2 LYS 60 2HE LYS 60 6.055 12.780 13.598 817 HE3 LYS 60 1HE LYS 60 4.461 12.070 13.348 818 HZ1 LYS 60 1HZ LYS 60 4.568 13.000 11.044 819 HZ2 LYS 60 2HZ LYS 60 5.688 11.776 11.372 820 HZ3 LYS 60 3HZ LYS 60 6.193 13.393 11.332 821 H ALA 61 H ALA 61 5.058 17.541 11.494 822 HA ALA 61 HA ALA 61 4.661 19.394 9.444 823 HB1 ALA 61 1HB ALA 61 7.226 17.959 10.129 824 HB2 ALA 61 2HB ALA 61 6.612 19.399 10.943 825 HB3 ALA 61 3HB ALA 61 7.078 19.478 9.245 826 H LYS 62 H LYS 62 5.098 15.965 9.310 827 HA LYS 62 HA LYS 62 4.840 16.100 6.407 828 HB2 LYS 62 2HB LYS 62 6.921 14.465 7.864 829 HB3 LYS 62 1HB LYS 62 6.522 14.271 6.161 830 HG2 LYS 62 2HG LYS 62 7.142 16.664 5.821 831 HG3 LYS 62 1HG LYS 62 7.712 16.694 7.490 832 HD2 LYS 62 2HD LYS 62 8.714 14.737 5.438 833 HD3 LYS 62 1HD LYS 62 9.472 16.303 5.732 834 HE2 LYS 62 2HE LYS 62 9.817 15.673 8.080 835 HE3 LYS 62 1HE LYS 62 9.097 14.096 7.750 836 HZ1 LYS 62 1HZ LYS 62 11.542 14.087 7.705 837 HZ2 LYS 62 2HZ LYS 62 11.517 15.152 6.386 838 HZ3 LYS 62 3HZ LYS 62 10.857 13.593 6.235 839 H ILE 63 H ILE 63 3.123 15.011 5.858 840 HA ILE 63 HA ILE 63 1.947 13.016 7.584 841 HB ILE 63 HB ILE 63 1.119 14.068 4.868 842 HG12 ILE 63 2HG1 ILE 63 -0.718 14.658 6.973 843 HG13 ILE 63 1HG1 ILE 63 0.894 15.129 7.501 844 HG21 ILE 63 1HG2 ILE 63 -1.029 12.976 5.262 845 HG22 ILE 63 2HG2 ILE 63 -0.399 12.269 6.749 846 HG23 ILE 63 3HG2 ILE 63 0.286 11.803 5.192 847 HD11 ILE 63 1HD1 ILE 63 -0.377 15.988 4.914 848 HD12 ILE 63 2HD1 ILE 63 1.153 16.556 5.586 849 HD13 ILE 63 3HD1 ILE 63 -0.366 16.941 6.397 850 H GLN 64 H GLN 64 2.407 10.885 7.479 851 HA GLN 64 HA GLN 64 3.447 9.822 4.933 852 HB2 GLN 64 2HB GLN 64 4.909 9.514 7.561 853 HB3 GLN 64 1HB GLN 64 5.394 8.810 6.027 854 HG2 GLN 64 2HG GLN 64 6.166 10.791 5.203 855 HG3 GLN 64 1HG GLN 64 5.051 11.754 6.168 856 HE21 GLN 64 1HE2 GLN 64 5.765 10.342 8.633 857 HE22 GLN 64 2HE2 GLN 64 7.310 10.980 9.096 858 H LEU 65 H LEU 65 3.828 7.420 5.057 859 HA LEU 65 HA LEU 65 1.780 6.156 6.763 860 HB2 LEU 65 2HB LEU 65 1.331 6.094 4.292 861 HB3 LEU 65 1HB LEU 65 2.801 5.154 4.102 862 HG LEU 65 HG LEU 65 1.583 3.630 5.932 863 HD11 LEU 65 1HD1 LEU 65 -0.778 3.461 5.521 864 HD12 LEU 65 2HD1 LEU 65 -0.701 4.781 4.353 865 HD13 LEU 65 3HD1 LEU 65 -0.378 5.092 6.058 866 HD21 LEU 65 1HD2 LEU 65 1.030 3.548 2.982 867 HD22 LEU 65 2HD2 LEU 65 0.799 2.216 4.114 868 HD23 LEU 65 3HD2 LEU 65 2.418 2.845 3.811 869 H GLN 66 H GLN 66 2.310 4.251 7.801 870 HA GLN 66 HA GLN 66 5.122 3.390 7.656 871 HB2 GLN 66 2HB GLN 66 4.585 4.693 9.709 872 HB3 GLN 66 1HB GLN 66 3.367 3.496 10.114 873 HG2 GLN 66 2HG GLN 66 5.046 1.790 10.352 874 HG3 GLN 66 1HG GLN 66 6.300 2.904 9.807 875 HE21 GLN 66 1HE2 GLN 66 7.041 4.486 11.183 876 HE22 GLN 66 2HE2 GLN 66 6.708 4.478 12.881 877 H LEU 67 H LEU 67 5.314 1.319 7.086 878 HA LEU 67 HA LEU 67 2.978 -0.433 7.328 879 HB2 LEU 67 2HB LEU 67 5.549 -0.651 5.778 880 HB3 LEU 67 1HB LEU 67 4.425 -1.985 5.928 881 HG LEU 67 HG LEU 67 3.913 0.668 4.597 882 HD11 LEU 67 1HD1 LEU 67 3.652 -0.737 2.600 883 HD12 LEU 67 2HD1 LEU 67 4.084 -2.156 3.555 884 HD13 LEU 67 3HD1 LEU 67 5.266 -0.873 3.298 885 HD21 LEU 67 1HD2 LEU 67 1.705 -0.206 4.051 886 HD22 LEU 67 2HD2 LEU 67 1.916 -0.106 5.798 887 HD23 LEU 67 3HD2 LEU 67 2.036 -1.666 4.983 888 H VAL 68 H VAL 68 2.877 -1.543 9.201 889 HA VAL 68 HA VAL 68 5.382 -2.350 10.480 890 HB VAL 68 HB VAL 68 2.540 -2.539 11.511 891 HG11 VAL 68 1HG1 VAL 68 5.124 -3.081 12.972 892 HG12 VAL 68 2HG1 VAL 68 4.054 -4.335 12.344 893 HG13 VAL 68 3HG1 VAL 68 3.487 -3.243 13.609 894 HG21 VAL 68 1HG2 VAL 68 3.229 -0.786 13.052 895 HG22 VAL 68 2HG2 VAL 68 3.414 -0.257 11.379 896 HG23 VAL 68 3HG2 VAL 68 4.828 -0.752 12.311 897 H LEU 69 H LEU 69 6.197 -4.189 9.831 898 HA LEU 69 HA LEU 69 4.616 -6.170 8.520 899 HB2 LEU 69 2HB LEU 69 7.479 -6.305 9.432 900 HB3 LEU 69 1HB LEU 69 6.686 -7.446 8.359 901 HG LEU 69 HG LEU 69 7.733 -4.738 7.810 902 HD11 LEU 69 1HD1 LEU 69 7.454 -7.258 6.201 903 HD12 LEU 69 2HD1 LEU 69 8.897 -6.712 7.058 904 HD13 LEU 69 3HD1 LEU 69 8.290 -5.796 5.678 905 HD21 LEU 69 1HD2 LEU 69 6.308 -4.407 5.873 906 HD22 LEU 69 2HD2 LEU 69 5.383 -4.360 7.373 907 HD23 LEU 69 3HD2 LEU 69 5.331 -5.797 6.350 908 H HIS 70 H HIS 70 4.987 -8.549 9.222 909 HA HIS 70 HA HIS 70 3.515 -8.964 11.536 910 HB2 HIS 70 2HB HIS 70 5.225 -10.811 9.904 911 HB3 HIS 70 1HB HIS 70 4.313 -11.376 11.303 912 HD1 HIS 70 1HD HIS 70 1.785 -9.482 10.657 913 HD2 HIS 70 2HD HIS 70 3.656 -12.120 8.066 914 HE1 HIS 70 1HE HIS 70 0.092 -10.035 8.871 915 H ALA 71 H ALA 71 7.057 -9.292 11.170 916 HA ALA 71 HA ALA 71 7.423 -10.222 13.839 917 HB1 ALA 71 1HB ALA 71 9.435 -8.980 11.970 918 HB2 ALA 71 2HB ALA 71 9.032 -10.696 12.060 919 HB3 ALA 71 3HB ALA 71 9.798 -9.896 13.433 920 H GLY 72 H GLY 72 7.063 -7.104 12.444 921 HA2 GLY 72 2HA GLY 72 6.423 -5.337 14.076 922 HA3 GLY 72 1HA GLY 72 7.812 -5.863 15.024 923 H ASP 73 H ASP 73 7.960 -5.855 11.630 924 HA ASP 73 HA ASP 73 10.159 -3.999 11.579 925 HB2 ASP 73 2HB ASP 73 8.818 -5.139 9.143 926 HB3 ASP 73 1HB ASP 73 10.518 -4.785 9.391 927 H THR 74 H THR 74 10.096 -2.110 10.047 928 HA THR 74 HA THR 74 7.398 -1.214 9.429 929 HB THR 74 HB THR 74 8.121 1.092 10.458 930 HG1 THR 74 1HG THR 74 9.596 -0.767 12.040 931 HG21 THR 74 1HG2 THR 74 7.267 -1.158 12.271 932 HG22 THR 74 2HG2 THR 74 6.193 -0.294 11.169 933 HG23 THR 74 3HG2 THR 74 6.964 0.564 12.504 934 H THR 75 H THR 75 7.260 -0.028 7.663 935 HA THR 75 HA THR 75 9.724 1.062 6.476 936 HB THR 75 HB THR 75 7.397 0.326 4.756 937 HG1 THR 75 1HG THR 75 8.862 -1.800 4.705 938 HG21 THR 75 1HG2 THR 75 9.190 -0.186 3.158 939 HG22 THR 75 2HG2 THR 75 10.394 0.166 4.398 940 HG23 THR 75 3HG2 THR 75 9.347 1.451 3.796 941 H ASN 76 H ASN 76 9.665 3.233 6.444 942 HA ASN 76 HA ASN 76 7.090 4.587 6.669 943 HB2 ASN 76 2HB ASN 76 9.892 5.303 7.325 944 HB3 ASN 76 1HB ASN 76 8.825 6.617 6.844 945 HD21 ASN 76 1HD2 ASN 76 9.759 6.844 9.250 946 HD22 ASN 76 2HD2 ASN 76 8.576 6.427 10.444 947 H PHE 77 H PHE 77 6.170 5.718 5.143 948 HA PHE 77 HA PHE 77 7.731 6.423 2.746 949 HB2 PHE 77 2HB PHE 77 4.889 5.401 2.913 950 HB3 PHE 77 1HB PHE 77 5.590 6.105 1.457 951 HD1 PHE 77 1HD PHE 77 4.759 3.117 2.852 952 HD2 PHE 77 2HD PHE 77 8.099 5.041 1.051 953 HE1 PHE 77 1HE PHE 77 5.701 0.923 2.256 954 HE2 PHE 77 2HE PHE 77 9.045 2.854 0.448 955 HZ PHE 77 HZ PHE 77 7.842 0.790 1.053 956 H HIS 78 H HIS 78 8.005 8.523 2.794 957 HA HIS 78 HA HIS 78 6.086 10.287 4.083 958 HB2 HIS 78 2HB HIS 78 8.345 10.764 4.610 959 HB3 HIS 78 1HB HIS 78 8.856 10.628 2.937 960 HD1 HIS 78 1HD HIS 78 9.947 12.971 2.942 961 HD2 HIS 78 2HD HIS 78 5.903 13.013 3.873 962 HE1 HIS 78 1HE HIS 78 9.208 15.378 2.773 963 H PHE 79 H PHE 79 4.546 11.334 3.040 964 HA PHE 79 HA PHE 79 4.473 11.291 0.141 965 HB2 PHE 79 2HB PHE 79 2.524 12.320 2.223 966 HB3 PHE 79 1HB PHE 79 2.237 12.412 0.489 967 HD1 PHE 79 1HD PHE 79 2.660 10.115 3.340 968 HD2 PHE 79 2HD PHE 79 1.528 10.517 -0.742 969 HE1 PHE 79 1HE PHE 79 1.730 7.837 3.378 970 HE2 PHE 79 2HE PHE 79 0.593 8.242 -0.710 971 HZ PHE 79 HZ PHE 79 0.692 6.900 1.352 972 H SER 80 H SER 80 6.369 12.583 -0.088 973 HA SER 80 HA SER 80 6.637 15.190 0.917 974 HB2 SER 80 2HB SER 80 8.266 15.238 -1.210 975 HB3 SER 80 1HB SER 80 8.672 14.411 0.291 976 HG SER 80 HG SER 80 7.283 13.098 -1.794 977 H ASN 81 H ASN 81 4.625 14.065 -1.567 978 HA ASN 81 HA ASN 81 4.653 16.445 -3.171 979 HB2 ASN 81 2HB ASN 81 3.949 14.255 -4.093 980 HB3 ASN 81 1HB ASN 81 2.567 14.253 -3.003 981 HD21 ASN 81 1HD2 ASN 81 1.130 14.142 -4.717 982 HD22 ASN 81 2HD2 ASN 81 0.808 15.518 -5.727 983 H GLU 82 H GLU 82 4.276 18.205 -1.884 984 HA GLU 82 HA GLU 82 2.368 18.332 0.185 985 HB2 GLU 82 2HB GLU 82 2.658 20.826 -0.034 986 HB3 GLU 82 1HB GLU 82 4.131 19.906 0.227 987 HG2 GLU 82 2HG GLU 82 3.313 20.581 -2.557 988 HG3 GLU 82 1HG GLU 82 4.042 21.823 -1.541 989 H SER 83 H SER 83 1.871 18.321 -3.150 990 HA SER 83 HA SER 83 -0.397 20.026 -3.293 991 HB2 SER 83 2HB SER 83 0.057 17.708 -5.152 992 HB3 SER 83 1HB SER 83 -0.604 19.304 -5.511 993 HG SER 83 HG SER 83 2.052 18.474 -5.267 994 H THR 84 H THR 84 -0.073 16.475 -3.148 995 HA THR 84 HA THR 84 -2.782 16.364 -2.018 996 HB THR 84 HB THR 84 -2.779 14.042 -3.347 997 HG1 THR 84 1HG THR 84 -0.906 14.187 -4.474 998 HG21 THR 84 1HG2 THR 84 -3.484 16.711 -4.577 999 HG22 THR 84 2HG2 THR 84 -4.514 15.759 -3.508 1000 HG23 THR 84 3HG2 THR 84 -4.093 15.143 -5.106 1001 H ALA 85 H ALA 85 -0.307 16.276 -0.579 1002 HA ALA 85 HA ALA 85 0.736 13.767 -0.045 1003 HB1 ALA 85 1HB ALA 85 0.343 15.962 1.983 1004 HB2 ALA 85 2HB ALA 85 1.656 15.903 0.806 1005 HB3 ALA 85 3HB ALA 85 1.526 14.655 2.045 1006 H VAL 86 H VAL 86 -1.715 15.428 1.929 1007 HA VAL 86 HA VAL 86 -2.377 13.167 3.480 1008 HB VAL 86 HB VAL 86 -3.912 15.699 2.892 1009 HG11 VAL 86 1HG1 VAL 86 -4.518 13.579 4.949 1010 HG12 VAL 86 2HG1 VAL 86 -5.503 13.969 3.538 1011 HG13 VAL 86 3HG1 VAL 86 -5.309 15.152 4.833 1012 HG21 VAL 86 1HG2 VAL 86 -2.343 14.822 5.295 1013 HG22 VAL 86 2HG2 VAL 86 -3.217 16.344 5.122 1014 HG23 VAL 86 3HG2 VAL 86 -1.831 16.000 4.088 1015 H LYS 87 H LYS 87 -3.661 14.430 0.465 1016 HA LYS 87 HA LYS 87 -5.968 12.815 0.316 1017 HB2 LYS 87 2HB LYS 87 -4.392 14.430 -1.617 1018 HB3 LYS 87 1HB LYS 87 -5.465 13.208 -2.287 1019 HG2 LYS 87 2HG LYS 87 -6.848 15.029 -2.249 1020 HG3 LYS 87 1HG LYS 87 -7.225 14.298 -0.689 1021 HD2 LYS 87 2HD LYS 87 -6.903 16.448 -0.006 1022 HD3 LYS 87 1HD LYS 87 -5.237 15.876 0.098 1023 HE2 LYS 87 2HE LYS 87 -5.026 16.688 -2.333 1024 HE3 LYS 87 1HE LYS 87 -6.517 17.575 -2.020 1025 HZ1 LYS 87 1HZ LYS 87 -5.430 18.719 -0.203 1026 HZ2 LYS 87 2HZ LYS 87 -4.534 18.925 -1.628 1027 HZ3 LYS 87 3HZ LYS 87 -4.007 17.828 -0.449 1028 H GLU 88 H GLU 88 -2.742 12.356 -1.167 1029 HA GLU 88 HA GLU 88 -3.390 9.780 -2.193 1030 HB2 GLU 88 2HB GLU 88 -0.672 11.023 -1.680 1031 HB3 GLU 88 1HB GLU 88 -0.960 9.559 -2.605 1032 HG2 GLU 88 2HG GLU 88 -2.127 10.765 -4.296 1033 HG3 GLU 88 1HG GLU 88 -2.131 12.233 -3.322 1034 H ARG 89 H ARG 89 -2.201 10.998 0.829 1035 HA ARG 89 HA ARG 89 -1.161 8.636 1.938 1036 HB2 ARG 89 2HB ARG 89 -1.104 11.081 2.826 1037 HB3 ARG 89 1HB ARG 89 -2.641 10.678 3.578 1038 HG2 ARG 89 2HG ARG 89 -0.482 8.748 4.058 1039 HG3 ARG 89 1HG ARG 89 -0.223 10.352 4.741 1040 HD2 ARG 89 2HD ARG 89 -2.554 8.508 5.228 1041 HD3 ARG 89 1HD ARG 89 -1.313 8.987 6.382 1042 HE ARG 89 HE ARG 89 -2.263 11.256 6.285 1043 HH11 ARG 89 1HH1 ARG 89 -4.201 8.564 5.214 1044 HH12 ARG 89 2HH1 ARG 89 -5.716 9.395 5.407 1045 HH21 ARG 89 1HH2 ARG 89 -4.232 12.356 6.598 1046 HH22 ARG 89 2HH2 ARG 89 -5.729 11.558 6.188 1047 H ASP 90 H ASP 90 -4.426 10.017 2.003 1048 HA ASP 90 HA ASP 90 -5.624 7.930 3.530 1049 HB2 ASP 90 2HB ASP 90 -6.618 10.179 1.833 1050 HB3 ASP 90 1HB ASP 90 -7.735 8.857 2.161 1051 H ALA 91 H ALA 91 -5.178 8.464 0.053 1052 HA ALA 91 HA ALA 91 -6.775 6.372 -0.889 1053 HB1 ALA 91 1HB ALA 91 -5.898 8.139 -2.330 1054 HB2 ALA 91 2HB ALA 91 -5.485 6.542 -2.953 1055 HB3 ALA 91 3HB ALA 91 -4.266 7.506 -2.119 1056 H VAL 92 H VAL 92 -3.338 6.425 0.011 1057 HA VAL 92 HA VAL 92 -2.877 3.681 -0.665 1058 HB VAL 92 HB VAL 92 -1.307 5.487 1.194 1059 HG11 VAL 92 1HG1 VAL 92 -0.801 3.145 1.584 1060 HG12 VAL 92 2HG1 VAL 92 0.556 3.941 0.786 1061 HG13 VAL 92 3HG1 VAL 92 -0.523 2.897 -0.140 1062 HG21 VAL 92 1HG2 VAL 92 -0.934 4.896 -1.735 1063 HG22 VAL 92 2HG2 VAL 92 0.198 5.797 -0.727 1064 HG23 VAL 92 3HG2 VAL 92 -1.420 6.435 -1.022 1065 H LYS 93 H LYS 93 -3.759 5.472 2.163 1066 HA LYS 93 HA LYS 93 -3.428 3.470 4.101 1067 HB2 LYS 93 2HB LYS 93 -3.565 5.550 5.022 1068 HB3 LYS 93 1HB LYS 93 -4.751 6.107 3.861 1069 HG2 LYS 93 2HG LYS 93 -6.476 4.804 5.054 1070 HG3 LYS 93 1HG LYS 93 -5.264 4.389 6.272 1071 HD2 LYS 93 2HD LYS 93 -5.101 6.564 7.039 1072 HD3 LYS 93 1HD LYS 93 -5.728 7.247 5.537 1073 HE2 LYS 93 2HE LYS 93 -7.467 5.504 7.201 1074 HE3 LYS 93 1HE LYS 93 -7.196 7.174 7.687 1075 HZ1 LYS 93 1HZ LYS 93 -7.979 7.860 5.468 1076 HZ2 LYS 93 2HZ LYS 93 -9.175 7.045 6.359 1077 HZ3 LYS 93 3HZ LYS 93 -8.355 6.243 5.106 1078 H ASP 94 H ASP 94 -6.364 4.653 2.478 1079 HA ASP 94 HA ASP 94 -8.100 2.762 3.634 1080 HB2 ASP 94 2HB ASP 94 -8.242 4.726 1.413 1081 HB3 ASP 94 1HB ASP 94 -9.456 3.453 1.443 1082 H LEU 95 H LEU 95 -6.274 2.745 0.637 1083 HA LEU 95 HA LEU 95 -7.521 0.370 -0.367 1084 HB2 LEU 95 2HB LEU 95 -6.279 2.139 -1.735 1085 HB3 LEU 95 1HB LEU 95 -4.799 1.386 -1.171 1086 HG LEU 95 HG LEU 95 -5.435 -0.721 -2.240 1087 HD11 LEU 95 1HD1 LEU 95 -7.393 -0.844 -3.690 1088 HD12 LEU 95 2HD1 LEU 95 -7.864 0.785 -3.204 1089 HD13 LEU 95 3HD1 LEU 95 -7.858 -0.522 -2.020 1090 HD21 LEU 95 1HD2 LEU 95 -4.146 0.897 -3.525 1091 HD22 LEU 95 2HD2 LEU 95 -5.637 1.650 -4.091 1092 HD23 LEU 95 3HD2 LEU 95 -5.248 -0.003 -4.568 1093 H LEU 96 H LEU 96 -4.890 1.075 1.792 1094 HA LEU 96 HA LEU 96 -3.751 -1.535 1.663 1095 HB2 LEU 96 2HB LEU 96 -3.392 0.840 3.397 1096 HB3 LEU 96 1HB LEU 96 -2.914 -0.716 4.055 1097 HG LEU 96 HG LEU 96 -1.900 0.480 1.477 1098 HD11 LEU 96 1HD1 LEU 96 -1.077 1.647 3.454 1099 HD12 LEU 96 2HD1 LEU 96 0.206 0.730 2.665 1100 HD13 LEU 96 3HD1 LEU 96 -0.542 0.113 4.138 1101 HD21 LEU 96 1HD2 LEU 96 -0.321 -1.376 1.484 1102 HD22 LEU 96 2HD2 LEU 96 -1.985 -1.955 1.409 1103 HD23 LEU 96 3HD2 LEU 96 -1.091 -2.034 2.928 1104 H GLN 97 H GLN 97 -5.744 0.070 4.258 1105 HA GLN 97 HA GLN 97 -6.342 -2.235 5.643 1106 HB2 GLN 97 2HB GLN 97 -8.662 -0.977 5.958 1107 HB3 GLN 97 1HB GLN 97 -7.186 -0.410 6.721 1108 HG2 GLN 97 2HG GLN 97 -6.974 0.934 4.466 1109 HG3 GLN 97 1HG GLN 97 -8.723 0.728 4.470 1110 HE21 GLN 97 1HE2 GLN 97 -7.084 0.867 7.462 1111 HE22 GLN 97 2HE2 GLN 97 -7.554 2.476 7.885 1112 H GLN 98 H GLN 98 -7.319 -1.381 2.486 1113 HA GLN 98 HA GLN 98 -9.547 -3.187 2.298 1114 HB2 GLN 98 2HB GLN 98 -8.066 -1.372 0.473 1115 HB3 GLN 98 1HB GLN 98 -8.918 -2.712 -0.270 1116 HG2 GLN 98 2HG GLN 98 -10.279 -0.875 1.656 1117 HG3 GLN 98 1HG GLN 98 -10.123 -0.478 -0.056 1118 HE21 GLN 98 1HE2 GLN 98 -11.467 -2.725 2.241 1119 HE22 GLN 98 2HE2 GLN 98 -12.659 -3.394 1.189 1120 H LEU 99 H LEU 99 -6.215 -3.174 1.013 1121 HA LEU 99 HA LEU 99 -6.511 -5.881 0.027 1122 HB2 LEU 99 2HB LEU 99 -4.297 -3.866 -0.112 1123 HB3 LEU 99 1HB LEU 99 -4.133 -5.498 -0.735 1124 HG LEU 99 HG LEU 99 -6.338 -3.675 -1.644 1125 HD11 LEU 99 1HD1 LEU 99 -4.935 -3.145 -3.591 1126 HD12 LEU 99 2HD1 LEU 99 -3.582 -3.980 -2.829 1127 HD13 LEU 99 3HD1 LEU 99 -4.247 -2.524 -2.090 1128 HD21 LEU 99 1HD2 LEU 99 -5.034 -6.113 -2.835 1129 HD22 LEU 99 2HD2 LEU 99 -6.303 -5.155 -3.599 1130 HD23 LEU 99 3HD2 LEU 99 -6.637 -6.030 -2.104 1131 H LEU 100 H LEU 100 -4.949 -4.333 2.750 1132 HA LEU 100 HA LEU 100 -3.019 -6.237 3.356 1133 HB2 LEU 100 2HB LEU 100 -4.507 -4.242 5.003 1134 HB3 LEU 100 1HB LEU 100 -3.477 -5.417 5.802 1135 HG LEU 100 HG LEU 100 -2.553 -3.521 3.644 1136 HD11 LEU 100 1HD1 LEU 100 -3.106 -2.258 5.646 1137 HD12 LEU 100 2HD1 LEU 100 -1.356 -2.348 5.456 1138 HD13 LEU 100 3HD1 LEU 100 -2.168 -3.374 6.638 1139 HD21 LEU 100 1HD2 LEU 100 -1.062 -5.431 5.429 1140 HD22 LEU 100 2HD2 LEU 100 -0.309 -4.235 4.373 1141 HD23 LEU 100 3HD2 LEU 100 -1.262 -5.548 3.681 1142 HA PRO 101 HA PRO 101 -6.215 -8.560 6.186 1143 HB2 PRO 101 2HB PRO 101 -8.845 -8.277 5.507 1144 HB3 PRO 101 1HB PRO 101 -8.042 -7.318 6.756 1145 HG2 PRO 101 2HG PRO 101 -8.613 -6.616 3.903 1146 HG3 PRO 101 1HG PRO 101 -8.807 -5.624 5.361 1147 HD2 PRO 101 2HD PRO 101 -6.697 -5.330 3.731 1148 HD3 PRO 101 1HD PRO 101 -6.545 -5.149 5.491 1149 H LYS 102 H LYS 102 -6.554 -8.066 2.783 1150 HA LYS 102 HA LYS 102 -7.849 -10.485 2.089 1151 HB2 LYS 102 2HB LYS 102 -7.804 -8.732 0.467 1152 HB3 LYS 102 1HB LYS 102 -6.056 -8.589 0.565 1153 HG2 LYS 102 2HG LYS 102 -6.021 -10.994 -0.359 1154 HG3 LYS 102 1HG LYS 102 -7.699 -10.682 -0.806 1155 HD2 LYS 102 2HD LYS 102 -7.105 -8.956 -2.279 1156 HD3 LYS 102 1HD LYS 102 -5.498 -8.785 -1.570 1157 HE2 LYS 102 2HE LYS 102 -5.046 -11.144 -2.400 1158 HE3 LYS 102 1HE LYS 102 -6.531 -10.992 -3.336 1159 HZ1 LYS 102 1HZ LYS 102 -5.602 -9.449 -4.726 1160 HZ2 LYS 102 2HZ LYS 102 -4.228 -10.376 -4.376 1161 HZ3 LYS 102 3HZ LYS 102 -4.482 -8.899 -3.584 1162 H PHE 103 H PHE 103 -4.634 -9.684 3.019 1163 HA PHE 103 HA PHE 103 -3.688 -12.362 2.242 1164 HB2 PHE 103 2HB PHE 103 -2.222 -9.766 2.673 1165 HB3 PHE 103 1HB PHE 103 -1.390 -11.318 2.601 1166 HD1 PHE 103 1HD PHE 103 -1.135 -12.493 0.535 1167 HD2 PHE 103 2HD PHE 103 -3.318 -8.848 0.710 1168 HE1 PHE 103 1HE PHE 103 -1.077 -12.343 -1.919 1169 HE2 PHE 103 2HE PHE 103 -3.262 -8.691 -1.740 1170 HZ PHE 103 HZ PHE 103 -2.143 -10.439 -3.056 1171 H LYS 104 H LYS 104 -5.181 -11.338 4.714 1172 HA LYS 104 HA LYS 104 -3.243 -11.846 6.812 1173 HB2 LYS 104 2HB LYS 104 -6.168 -11.134 6.810 1174 HB3 LYS 104 1HB LYS 104 -5.357 -11.659 8.279 1175 HG2 LYS 104 2HG LYS 104 -4.687 -9.247 6.609 1176 HG3 LYS 104 1HG LYS 104 -5.422 -9.263 8.214 1177 HD2 LYS 104 2HD LYS 104 -3.422 -9.346 9.186 1178 HD3 LYS 104 1HD LYS 104 -2.971 -10.762 8.233 1179 HE2 LYS 104 2HE LYS 104 -1.371 -9.180 7.645 1180 HE3 LYS 104 1HE LYS 104 -2.544 -9.089 6.333 1181 HZ1 LYS 104 1HZ LYS 104 -2.357 -7.233 8.643 1182 HZ2 LYS 104 2HZ LYS 104 -3.546 -7.160 7.437 1183 HZ3 LYS 104 3HZ LYS 104 -1.918 -6.896 7.046 1184 H ARG 105 H ARG 105 -3.395 -13.581 8.285 1185 HA ARG 105 HA ARG 105 -3.873 -16.081 7.138 1186 HB2 ARG 105 2HB ARG 105 -3.240 -15.106 9.869 1187 HB3 ARG 105 1HB ARG 105 -3.911 -16.726 9.742 1188 HG2 ARG 105 2HG ARG 105 -1.523 -16.877 9.746 1189 HG3 ARG 105 1HG ARG 105 -2.111 -17.298 8.138 1190 HD2 ARG 105 2HD ARG 105 -1.470 -14.454 8.540 1191 HD3 ARG 105 1HD ARG 105 -0.096 -15.551 8.634 1192 HE ARG 105 HE ARG 105 -1.634 -16.152 6.336 1193 HH11 ARG 105 1HH1 ARG 105 0.514 -13.666 7.576 1194 HH12 ARG 105 2HH1 ARG 105 1.104 -13.205 6.013 1195 HH21 ARG 105 1HH2 ARG 105 -0.836 -15.589 4.280 1196 HH22 ARG 105 2HH2 ARG 105 0.324 -14.299 4.134 1197 H LYS 106 H LYS 106 -5.794 -16.370 6.340 1198 HA LYS 106 HA LYS 106 -7.958 -17.284 7.841 1199 HB2 LYS 106 2HB LYS 106 -8.676 -15.200 8.545 1200 HB3 LYS 106 1HB LYS 106 -7.954 -14.372 7.176 1201 HG2 LYS 106 2HG LYS 106 -9.864 -15.590 5.844 1202 HG3 LYS 106 1HG LYS 106 -10.630 -15.642 7.433 1203 HD2 LYS 106 2HD LYS 106 -11.337 -13.642 6.282 1204 HD3 LYS 106 1HD LYS 106 -10.288 -13.194 7.629 1205 HE2 LYS 106 2HE LYS 106 -8.396 -13.260 5.862 1206 HE3 LYS 106 1HE LYS 106 -9.708 -13.164 4.689 1207 HZ1 LYS 106 1HZ LYS 106 -9.205 -11.206 6.863 1208 HZ2 LYS 106 2HZ LYS 106 -10.448 -11.106 5.716 1209 HZ3 LYS 106 3HZ LYS 106 -8.830 -10.977 5.229 1210 H ALA 107 H ALA 107 -6.822 -15.631 4.981 1211 HA ALA 107 HA ALA 107 -7.952 -17.724 3.292 1212 HB1 ALA 107 1HB ALA 107 -8.303 -14.786 2.678 1213 HB2 ALA 107 2HB ALA 107 -9.578 -15.846 3.278 1214 HB3 ALA 107 3HB ALA 107 -8.859 -16.141 1.696 1215 H ASN 108 H ASN 108 -5.377 -16.675 4.400 1216 HA ASN 108 HA ASN 108 -3.698 -17.198 2.209 1217 HB2 ASN 108 2HB ASN 108 -4.481 -14.774 1.769 1218 HB3 ASN 108 1HB ASN 108 -3.505 -14.340 3.168 1219 HD21 ASN 108 1HD2 ASN 108 -3.421 -15.757 -0.030 1220 HD22 ASN 108 2HD2 ASN 108 -1.759 -15.413 -0.346 Start of MODEL 11 1 H ARG 390 2HT ARG 390 29.509 22.883 2.611 2 HA ARG 390 HA ARG 390 32.228 21.824 2.109 3 HB2 ARG 390 2HB ARG 390 31.434 21.962 4.549 4 HB3 ARG 390 1HB ARG 390 30.203 20.790 4.101 5 HG2 ARG 390 2HG ARG 390 32.338 19.487 3.191 6 HG3 ARG 390 1HG ARG 390 33.122 20.443 4.450 7 HD2 ARG 390 2HD ARG 390 32.521 18.517 5.588 8 HD3 ARG 390 1HD ARG 390 31.182 19.604 5.950 9 HE ARG 390 HE ARG 390 30.675 18.010 3.630 10 HH11 ARG 390 1HH1 ARG 390 30.632 17.952 7.135 11 HH12 ARG 390 2HH1 ARG 390 29.454 16.686 7.223 12 HH21 ARG 390 1HH2 ARG 390 29.131 16.345 3.743 13 HH22 ARG 390 2HH2 ARG 390 28.599 15.767 5.290 14 H ARG 391 H ARG 391 32.214 19.672 1.262 15 HA ARG 391 HA ARG 391 30.261 19.179 -0.698 16 HB2 ARG 391 2HB ARG 391 32.342 18.233 -1.160 17 HB3 ARG 391 1HB ARG 391 32.533 17.605 0.468 18 HG2 ARG 391 2HG ARG 391 32.203 15.720 -0.860 19 HG3 ARG 391 1HG ARG 391 30.637 16.003 -0.100 20 HD2 ARG 391 2HD ARG 391 30.115 17.349 -2.255 21 HD3 ARG 391 1HD ARG 391 31.474 16.454 -2.940 22 HE ARG 391 HE ARG 391 29.267 14.999 -1.652 23 HH11 ARG 391 1HH1 ARG 391 31.093 15.775 -4.538 24 HH12 ARG 391 2HH1 ARG 391 30.406 14.493 -5.474 25 HH21 ARG 391 1HH2 ARG 391 28.362 13.299 -2.871 26 HH22 ARG 391 2HH2 ARG 391 28.844 13.081 -4.525 27 H ARG 392 H ARG 392 28.339 18.215 -0.594 28 HA ARG 392 HA ARG 392 27.442 17.127 1.947 29 HB2 ARG 392 2HB ARG 392 26.192 18.725 0.170 30 HB3 ARG 392 1HB ARG 392 25.638 17.161 -0.413 31 HG2 ARG 392 2HG ARG 392 24.624 16.647 1.675 32 HG3 ARG 392 1HG ARG 392 25.381 18.039 2.452 33 HD2 ARG 392 2HD ARG 392 23.215 18.774 2.071 34 HD3 ARG 392 1HD ARG 392 24.102 19.430 0.697 35 HE ARG 392 HE ARG 392 23.125 16.976 -0.131 36 HH11 ARG 392 1HH1 ARG 392 21.771 19.986 1.049 37 HH12 ARG 392 2HH1 ARG 392 20.295 19.818 0.162 38 HH21 ARG 392 1HH2 ARG 392 21.197 16.756 -1.305 39 HH22 ARG 392 2HH2 ARG 392 19.950 17.965 -1.167 40 H THR 393 H THR 393 25.617 15.253 1.271 41 HA THR 393 HA THR 393 27.174 12.950 0.826 42 HB THR 393 HB THR 393 24.489 12.294 0.328 43 HG1 THR 393 1HG THR 393 23.572 14.135 0.995 44 HG21 THR 393 1HG2 THR 393 24.555 11.397 2.607 45 HG22 THR 393 2HG2 THR 393 25.999 12.349 2.948 46 HG23 THR 393 3HG2 THR 393 26.060 11.052 1.754 47 H GLU 394 H GLU 394 24.522 14.282 -1.119 48 HA GLU 394 HA GLU 394 25.612 12.920 -3.477 49 HB2 GLU 394 2HB GLU 394 23.137 13.952 -4.191 50 HB3 GLU 394 1HB GLU 394 23.477 12.289 -3.734 51 HG2 GLU 394 2HG GLU 394 21.573 13.153 -2.506 52 HG3 GLU 394 1HG GLU 394 22.912 12.804 -1.413 53 H ALA 395 H ALA 395 23.495 15.745 -3.459 54 HA ALA 395 HA ALA 395 25.519 17.628 -4.136 55 HB1 ALA 395 1HB ALA 395 25.519 16.380 -6.242 56 HB2 ALA 395 2HB ALA 395 24.906 18.018 -6.470 57 HB3 ALA 395 3HB ALA 395 23.784 16.657 -6.410 58 H LEU 396 H LEU 396 22.239 17.253 -5.445 59 HA LEU 396 HA LEU 396 21.313 19.375 -3.652 60 HB2 LEU 396 2HB LEU 396 22.011 20.204 -5.983 61 HB3 LEU 396 1HB LEU 396 20.593 19.358 -6.571 62 HG LEU 396 HG LEU 396 19.175 20.754 -5.095 63 HD11 LEU 396 1HD1 LEU 396 21.764 22.187 -4.515 64 HD12 LEU 396 2HD1 LEU 396 20.784 21.275 -3.365 65 HD13 LEU 396 3HD1 LEU 396 20.156 22.763 -4.073 66 HD21 LEU 396 1HD2 LEU 396 19.369 22.804 -6.403 67 HD22 LEU 396 2HD2 LEU 396 19.543 21.381 -7.430 68 HD23 LEU 396 3HD2 LEU 396 20.968 22.309 -6.959 69 H GLY 397 H GLY 397 20.888 16.571 -3.494 70 HA2 GLY 397 2HA GLY 397 18.134 16.194 -4.431 71 HA3 GLY 397 1HA GLY 397 19.180 14.949 -3.760 72 H ASP 398 H ASP 398 17.731 14.243 -2.201 73 HA ASP 398 HA ASP 398 16.641 16.180 -0.335 74 HB2 ASP 398 2HB ASP 398 15.141 14.414 -1.026 75 HB3 ASP 398 1HB ASP 398 16.296 13.183 -0.518 76 H ALA 399 H ALA 399 17.511 16.692 1.493 77 HA ALA 399 HA ALA 399 18.907 14.919 3.211 78 HB1 ALA 399 1HB ALA 399 20.567 17.003 1.785 79 HB2 ALA 399 2HB ALA 399 20.735 15.254 1.633 80 HB3 ALA 399 3HB ALA 399 21.101 16.045 3.166 81 H GLU 400 H GLU 400 16.685 16.666 3.280 82 HA GLU 400 HA GLU 400 17.619 18.794 5.074 83 HB2 GLU 400 2HB GLU 400 15.064 19.509 4.524 84 HB3 GLU 400 1HB GLU 400 16.458 20.053 3.602 85 HG2 GLU 400 2HG GLU 400 15.617 19.125 1.779 86 HG3 GLU 400 1HG GLU 400 15.670 17.544 2.556 87 H GLU 401 H GLU 401 14.271 18.258 5.134 88 HA GLU 401 HA GLU 401 14.361 17.524 7.905 89 HB2 GLU 401 2HB GLU 401 12.471 18.639 6.107 90 HB3 GLU 401 1HB GLU 401 11.756 17.172 6.759 91 HG2 GLU 401 2HG GLU 401 13.000 19.231 8.543 92 HG3 GLU 401 1HG GLU 401 11.332 19.369 7.988 93 H ASP 402 H ASP 402 14.867 15.527 8.495 94 HA ASP 402 HA ASP 402 14.633 13.280 6.774 95 HB2 ASP 402 2HB ASP 402 16.370 13.319 8.477 96 HB3 ASP 402 1HB ASP 402 15.155 13.391 9.752 97 H GLU 403 H GLU 403 13.194 11.685 6.685 98 HA GLU 403 HA GLU 403 10.528 12.163 7.455 99 HB2 GLU 403 2HB GLU 403 12.000 9.736 6.432 100 HB3 GLU 403 1HB GLU 403 10.290 9.674 6.828 101 HG2 GLU 403 2HG GLU 403 10.721 10.000 4.432 102 HG3 GLU 403 1HG GLU 403 9.780 11.303 5.149 103 H ASP 404 H ASP 404 10.044 12.282 9.597 104 HA ASP 404 HA ASP 404 11.429 10.856 11.595 105 HB2 ASP 404 2HB ASP 404 9.295 11.481 12.990 106 HB3 ASP 404 1HB ASP 404 10.453 12.715 12.518 107 H ASP 405 H ASP 405 11.220 8.929 12.362 108 HA ASP 405 HA ASP 405 9.250 7.156 11.195 109 HB2 ASP 405 2HB ASP 405 11.366 6.412 13.216 110 HB3 ASP 405 1HB ASP 405 10.581 5.373 12.030 111 H GLU 406 H GLU 406 8.699 9.291 13.290 112 HA GLU 406 HA GLU 406 7.343 7.522 15.199 113 HB2 GLU 406 2HB GLU 406 7.572 9.413 16.860 114 HB3 GLU 406 1HB GLU 406 9.060 8.568 16.457 115 HG2 GLU 406 2HG GLU 406 9.917 10.592 16.137 116 HG3 GLU 406 1HG GLU 406 9.019 10.587 14.621 117 H ASP 407 H ASP 407 5.530 8.615 16.330 118 HA ASP 407 HA ASP 407 3.501 9.459 16.311 119 HB2 ASP 407 2HB ASP 407 4.731 11.589 16.306 120 HB3 ASP 407 1HB ASP 407 4.581 11.621 14.553 121 H PHE 408 H PHE 408 3.234 7.415 14.988 122 HA PHE 408 HA PHE 408 1.756 8.165 12.560 123 HB2 PHE 408 2HB PHE 408 3.383 5.645 13.041 124 HB3 PHE 408 1HB PHE 408 2.200 5.799 11.763 125 HD1 PHE 408 1HD PHE 408 5.212 7.552 13.068 126 HD2 PHE 408 2HD PHE 408 2.912 6.396 9.691 127 HE1 PHE 408 1HE PHE 408 6.916 8.511 11.583 128 HE2 PHE 408 2HE PHE 408 4.610 7.355 8.199 129 HZ PHE 408 HZ PHE 408 6.607 8.422 9.152 130 H VAL 409 H VAL 409 -0.253 7.718 12.651 131 HA VAL 409 HA VAL 409 -1.280 6.354 14.976 132 HB VAL 409 HB VAL 409 -3.486 7.210 14.010 133 HG11 VAL 409 1HG1 VAL 409 -2.925 9.441 14.758 134 HG12 VAL 409 2HG1 VAL 409 -1.214 9.084 14.514 135 HG13 VAL 409 3HG1 VAL 409 -2.125 8.230 15.760 136 HG21 VAL 409 1HG2 VAL 409 -3.310 9.027 12.423 137 HG22 VAL 409 2HG2 VAL 409 -2.802 7.499 11.702 138 HG23 VAL 409 3HG2 VAL 409 -1.595 8.680 12.215 139 H GLU 410 H GLU 410 -1.768 4.339 14.982 140 HA GLU 410 HA GLU 410 -1.200 2.677 12.869 141 HB2 GLU 410 2HB GLU 410 -1.454 2.092 15.348 142 HB3 GLU 410 1HB GLU 410 -3.171 1.900 15.005 143 HG2 GLU 410 2HG GLU 410 -2.760 -0.168 14.339 144 HG3 GLU 410 1HG GLU 410 -1.822 0.493 13.000 145 H VAL 411 H VAL 411 -2.175 2.211 11.115 146 HA VAL 411 HA VAL 411 -4.931 3.012 10.657 147 HB VAL 411 HB VAL 411 -3.030 1.894 8.580 148 HG11 VAL 411 1HG1 VAL 411 -4.429 3.298 7.101 149 HG12 VAL 411 2HG1 VAL 411 -5.430 3.720 8.492 150 HG13 VAL 411 3HG1 VAL 411 -5.359 2.050 7.931 151 HG21 VAL 411 1HG2 VAL 411 -3.306 4.736 9.424 152 HG22 VAL 411 2HG2 VAL 411 -2.396 4.128 8.041 153 HG23 VAL 411 3HG2 VAL 411 -1.907 3.695 9.679 154 HA PRO 412 HA PRO 412 -5.956 -1.283 11.495 155 HB2 PRO 412 2HB PRO 412 -8.610 -0.919 11.548 156 HB3 PRO 412 1HB PRO 412 -7.572 -0.323 12.850 157 HG2 PRO 412 2HG PRO 412 -8.679 1.172 10.489 158 HG3 PRO 412 1HG PRO 412 -8.694 1.638 12.202 159 HD2 PRO 412 2HD PRO 412 -6.862 2.589 10.472 160 HD3 PRO 412 1HD PRO 412 -6.478 2.276 12.177 161 H GLU 413 H GLU 413 -7.529 -2.854 10.544 162 HA GLU 413 HA GLU 413 -7.355 -2.778 7.648 163 HB2 GLU 413 2HB GLU 413 -8.494 -4.983 9.362 164 HB3 GLU 413 1HB GLU 413 -7.863 -5.106 7.727 165 HG2 GLU 413 2HG GLU 413 -6.132 -4.321 10.045 166 HG3 GLU 413 1HG GLU 413 -6.423 -6.006 9.614 167 H LYS 414 H LYS 414 -9.153 -2.963 6.257 168 HA LYS 414 HA LYS 414 -11.752 -2.458 7.529 169 HB2 LYS 414 2HB LYS 414 -10.452 -1.095 5.248 170 HB3 LYS 414 1HB LYS 414 -12.200 -1.308 5.196 171 HG2 LYS 414 2HG LYS 414 -12.540 0.285 6.709 172 HG3 LYS 414 1HG LYS 414 -11.291 -0.353 7.777 173 HD2 LYS 414 2HD LYS 414 -10.339 1.650 7.269 174 HD3 LYS 414 1HD LYS 414 -9.707 0.692 5.928 175 HE2 LYS 414 2HE LYS 414 -11.158 1.622 4.401 176 HE3 LYS 414 1HE LYS 414 -12.318 2.107 5.636 177 HZ1 LYS 414 1HZ LYS 414 -11.136 3.985 6.131 178 HZ2 LYS 414 2HZ LYS 414 -10.769 3.857 4.482 179 HZ3 LYS 414 3HZ LYS 414 -9.652 3.336 5.643 180 H GLU 415 H GLU 415 -10.154 -3.812 4.694 181 HA GLU 415 HA GLU 415 -10.596 -5.591 3.386 182 HB2 GLU 415 2HB GLU 415 -10.884 -6.751 5.565 183 HB3 GLU 415 1HB GLU 415 -12.607 -6.419 5.475 184 HG2 GLU 415 2HG GLU 415 -11.734 -8.725 4.740 185 HG3 GLU 415 1HG GLU 415 -12.942 -7.912 3.746 186 H GLY 416 H GLY 416 -13.824 -4.823 4.709 187 HA2 GLY 416 2HA GLY 416 -14.816 -4.836 1.932 188 HA3 GLY 416 1HA GLY 416 -15.800 -5.134 3.356 189 H TYR 417 H TYR 417 -13.892 -2.624 1.747 190 HA TYR 417 HA TYR 417 -15.994 -0.698 2.322 191 HB2 TYR 417 2HB TYR 417 -14.836 -0.099 4.200 192 HB3 TYR 417 1HB TYR 417 -13.305 -0.693 3.577 193 HD1 TYR 417 1HD TYR 417 -11.857 0.737 2.279 194 HD2 TYR 417 2HD TYR 417 -15.562 2.188 3.771 195 HE1 TYR 417 1HE TYR 417 -11.106 3.030 1.865 196 HE2 TYR 417 2HE TYR 417 -14.825 4.495 3.352 197 HH TYR 417 HH TYR 417 -11.571 5.275 2.641 198 H GLU 418 H GLU 418 -12.747 -1.126 1.001 199 HA GLU 418 HA GLU 418 -11.753 -0.607 -0.929 200 HB2 GLU 418 2HB GLU 418 -14.573 -0.201 -1.915 201 HB3 GLU 418 1HB GLU 418 -13.146 -0.180 -2.948 202 HG2 GLU 418 2HG GLU 418 -14.480 -2.458 -1.595 203 HG3 GLU 418 1HG GLU 418 -13.761 -2.357 -3.201 204 HA PRO 419 HA PRO 419 -10.711 3.593 -0.409 205 HB2 PRO 419 2HB PRO 419 -9.387 3.970 -2.794 206 HB3 PRO 419 1HB PRO 419 -8.688 3.200 -1.366 207 HG2 PRO 419 2HG PRO 419 -9.912 1.941 -3.790 208 HG3 PRO 419 1HG PRO 419 -8.443 1.479 -2.908 209 HD2 PRO 419 2HD PRO 419 -10.731 0.142 -2.570 210 HD3 PRO 419 1HD PRO 419 -9.644 0.454 -1.200 211 H HIS 420 H HIS 420 -11.357 5.608 -0.938 212 HA HIS 420 HA HIS 420 -13.516 5.797 -2.888 213 HB2 HIS 420 2HB HIS 420 -13.991 7.988 -1.810 214 HB3 HIS 420 1HB HIS 420 -14.078 6.631 -0.694 215 HD1 HIS 420 1HD HIS 420 -12.394 6.614 1.275 216 HD2 HIS 420 2HD HIS 420 -11.855 9.762 -1.396 217 HE1 HIS 420 1HE HIS 420 -10.762 8.210 2.369 218 H ILE 421 H ILE 421 -13.580 8.324 -3.588 219 HA ILE 421 HA ILE 421 -11.011 8.876 -4.889 220 HB ILE 421 HB ILE 421 -13.310 7.913 -6.152 221 HG12 ILE 421 2HG1 ILE 421 -11.966 8.721 -8.237 222 HG13 ILE 421 1HG1 ILE 421 -10.758 9.173 -7.039 223 HG21 ILE 421 1HG2 ILE 421 -14.399 10.074 -6.011 224 HG22 ILE 421 2HG2 ILE 421 -13.987 9.700 -7.685 225 HG23 ILE 421 3HG2 ILE 421 -13.006 10.846 -6.772 226 HD11 ILE 421 1HD1 ILE 421 -10.713 6.862 -6.233 227 HD12 ILE 421 2HD1 ILE 421 -10.282 6.984 -7.940 228 HD13 ILE 421 3HD1 ILE 421 -11.886 6.419 -7.474 229 HA PRO 422 HA PRO 422 -11.100 13.166 -3.690 230 HB2 PRO 422 2HB PRO 422 -11.615 13.644 -6.614 231 HB3 PRO 422 1HB PRO 422 -10.537 14.516 -5.516 232 HG2 PRO 422 2HG PRO 422 -9.578 12.672 -7.181 233 HG3 PRO 422 1HG PRO 422 -8.941 12.835 -5.535 234 HD2 PRO 422 2HD PRO 422 -10.631 10.710 -6.695 235 HD3 PRO 422 1HD PRO 422 -9.557 10.655 -5.284 236 H ASP 423 H ASP 423 -12.833 13.943 -2.644 237 HA ASP 423 HA ASP 423 -15.493 13.491 -3.479 238 HB2 ASP 423 2HB ASP 423 -14.749 13.802 -1.098 239 HB3 ASP 423 1HB ASP 423 -14.578 15.521 -1.440 240 H HIS 424 H HIS 424 -16.474 14.433 -5.054 241 HA HIS 424 HA HIS 424 -16.406 17.319 -5.346 242 HB2 HIS 424 2HB HIS 424 -15.923 17.257 -7.735 243 HB3 HIS 424 1HB HIS 424 -14.603 16.510 -6.846 244 HD1 HIS 424 1HD HIS 424 -14.792 13.716 -6.817 245 HD2 HIS 424 2HD HIS 424 -16.789 15.806 -9.803 246 HE1 HIS 424 1HE HIS 424 -15.282 12.046 -8.652 247 H LEU 425 H LEU 425 -18.055 14.632 -4.952 248 HA LEU 425 HA LEU 425 -20.513 15.706 -6.011 249 HB2 LEU 425 2HB LEU 425 -19.292 13.157 -7.026 250 HB3 LEU 425 1HB LEU 425 -21.034 13.339 -6.964 251 HG LEU 425 HG LEU 425 -19.200 15.195 -8.480 252 HD11 LEU 425 1HD1 LEU 425 -19.980 14.041 -10.487 253 HD12 LEU 425 2HD1 LEU 425 -20.865 12.891 -9.484 254 HD13 LEU 425 3HD1 LEU 425 -19.102 12.947 -9.418 255 HD21 LEU 425 1HD2 LEU 425 -22.196 14.842 -8.528 256 HD22 LEU 425 2HD2 LEU 425 -21.266 15.937 -9.552 257 HD23 LEU 425 3HD2 LEU 425 -21.324 16.196 -7.808 258 H ARG 426 H ARG 426 -21.192 15.842 -3.905 259 HA ARG 426 HA ARG 426 -20.932 13.822 -1.968 260 HB2 ARG 426 2HB ARG 426 -22.832 16.150 -2.220 261 HB3 ARG 426 1HB ARG 426 -22.834 15.076 -0.829 262 HG2 ARG 426 2HG ARG 426 -20.686 16.966 -1.727 263 HG3 ARG 426 1HG ARG 426 -21.552 16.928 -0.192 264 HD2 ARG 426 2HD ARG 426 -19.495 14.965 -1.188 265 HD3 ARG 426 1HD ARG 426 -19.339 16.083 0.165 266 HE ARG 426 HE ARG 426 -21.538 14.353 0.610 267 HH11 ARG 426 1HH1 ARG 426 -18.022 14.359 0.526 268 HH12 ARG 426 2HH1 ARG 426 -17.882 13.033 1.644 269 HH21 ARG 426 1HH2 ARG 426 -21.357 12.604 2.057 270 HH22 ARG 426 2HH2 ARG 426 -19.776 12.038 2.517 271 HA PRO 427 HA PRO 427 -24.109 11.104 -3.455 272 HB2 PRO 427 2HB PRO 427 -23.718 9.415 -1.169 273 HB3 PRO 427 1HB PRO 427 -23.133 9.169 -2.815 274 HG2 PRO 427 2HG PRO 427 -21.517 9.695 -0.644 275 HG3 PRO 427 1HG PRO 427 -21.069 9.997 -2.330 276 HD2 PRO 427 2HD PRO 427 -22.059 11.912 -0.258 277 HD3 PRO 427 1HD PRO 427 -20.828 12.147 -1.518 278 H GLU 428 H GLU 428 -24.435 13.212 -1.146 279 HA GLU 428 HA GLU 428 -26.768 12.088 0.191 280 HB2 GLU 428 2HB GLU 428 -25.303 14.709 0.534 281 HB3 GLU 428 1HB GLU 428 -26.777 14.308 1.402 282 HG2 GLU 428 2HG GLU 428 -25.153 13.759 2.929 283 HG3 GLU 428 1HG GLU 428 -25.464 12.206 2.156 284 H TYR 429 H TYR 429 -27.580 12.024 -2.163 285 HA TYR 429 HA TYR 429 -28.539 14.503 -3.255 286 HB2 TYR 429 2HB TYR 429 -29.216 11.657 -4.033 287 HB3 TYR 429 1HB TYR 429 -29.572 13.101 -4.976 288 HD1 TYR 429 1HD TYR 429 -27.305 10.458 -4.534 289 HD2 TYR 429 2HD TYR 429 -27.462 14.586 -5.548 290 HE1 TYR 429 1HE TYR 429 -25.117 10.264 -5.636 291 HE2 TYR 429 2HE TYR 429 -25.275 14.403 -6.655 292 HH TYR 429 HH TYR 429 -23.215 12.820 -6.398 293 H GLY 430 H GLY 430 -30.571 15.324 -3.218 294 HA2 GLY 430 2HA GLY 430 -32.445 14.001 -1.345 295 HA3 GLY 430 1HA GLY 430 -32.328 15.740 -1.570 296 H LEU 431 H LEU 431 -32.187 13.551 -4.253 297 HA LEU 431 HA LEU 431 -33.565 13.090 -5.996 298 HB2 LEU 431 2HB LEU 431 -35.753 13.965 -4.106 299 HB3 LEU 431 1HB LEU 431 -36.027 13.238 -5.678 300 HG LEU 431 HG LEU 431 -34.607 11.886 -3.380 301 HD11 LEU 431 1HD1 LEU 431 -36.627 10.522 -3.200 302 HD12 LEU 431 2HD1 LEU 431 -37.404 11.507 -4.439 303 HD13 LEU 431 3HD1 LEU 431 -36.966 12.224 -2.889 304 HD21 LEU 431 1HD2 LEU 431 -35.537 10.825 -6.046 305 HD22 LEU 431 2HD2 LEU 431 -34.821 9.871 -4.747 306 HD23 LEU 431 3HD2 LEU 431 -33.862 11.103 -5.568 307 H GLU 432 H GLU 432 -32.214 15.442 -5.921 308 HA GLU 432 HA GLU 432 -33.920 17.649 -6.616 309 HB2 GLU 432 2HB GLU 432 -31.695 18.744 -7.213 310 HB3 GLU 432 1HB GLU 432 -31.924 18.280 -5.536 311 HG2 GLU 432 2HG GLU 432 -30.443 16.556 -7.503 312 HG3 GLU 432 1HG GLU 432 -29.656 17.818 -6.558 313 H ALA 433 H ALA 433 -35.093 16.664 -8.325 314 HA ALA 433 HA ALA 433 -33.596 16.407 -10.847 315 HB1 ALA 433 1HB ALA 433 -34.809 14.389 -10.180 316 HB2 ALA 433 2HB ALA 433 -35.471 15.073 -11.666 317 HB3 ALA 433 3HB ALA 433 -36.314 15.307 -10.133 318 H ALA 434 H ALA 434 -35.008 18.724 -9.264 319 HA ALA 434 HA ALA 434 -35.759 20.217 -11.576 320 HB1 ALA 434 1HB ALA 434 -37.913 19.530 -9.569 321 HB2 ALA 434 2HB ALA 434 -37.854 19.002 -11.252 322 HB3 ALA 434 3HB ALA 434 -38.063 20.712 -10.871 323 H MET 1 2HT MET 1 8.928 -2.166 -13.741 324 HA MET 1 HA MET 1 7.951 -1.876 -15.932 325 HB2 MET 1 2HB MET 1 9.686 -0.113 -16.571 326 HB3 MET 1 1HB MET 1 10.786 -1.445 -16.890 327 HG2 MET 1 2HG MET 1 9.510 -0.431 -18.856 328 HG3 MET 1 1HG MET 1 9.558 -2.188 -18.715 329 HE1 MET 1 1HE MET 1 7.609 -2.188 -20.498 330 HE2 MET 1 2HE MET 1 7.368 -0.441 -20.498 331 HE3 MET 1 3HE MET 1 6.001 -1.520 -20.220 332 H ALA 2 H ALA 2 8.267 -3.560 -17.672 333 HA ALA 2 HA ALA 2 8.637 -5.690 -18.353 334 HB1 ALA 2 1HB ALA 2 11.020 -5.158 -18.229 335 HB2 ALA 2 2HB ALA 2 10.713 -6.830 -17.758 336 HB3 ALA 2 3HB ALA 2 11.037 -5.612 -16.525 337 H THR 3 H THR 3 9.506 -7.964 -16.922 338 HA THR 3 HA THR 3 7.155 -8.568 -15.475 339 HB THR 3 HB THR 3 9.573 -10.270 -15.156 340 HG1 THR 3 1HG THR 3 8.281 -10.715 -17.525 341 HG21 THR 3 1HG2 THR 3 7.919 -12.040 -15.542 342 HG22 THR 3 2HG2 THR 3 6.685 -10.820 -15.856 343 HG23 THR 3 3HG2 THR 3 7.402 -10.956 -14.250 344 H SER 4 H SER 4 9.718 -6.756 -14.496 345 HA SER 4 HA SER 4 9.887 -7.741 -11.783 346 HB2 SER 4 2HB SER 4 10.958 -5.114 -12.812 347 HB3 SER 4 1HB SER 4 11.540 -6.069 -11.448 348 HG SER 4 HG SER 4 11.795 -7.714 -13.351 349 H SER 5 H SER 5 7.602 -6.196 -13.455 350 HA SER 5 HA SER 5 6.514 -4.922 -11.076 351 HB2 SER 5 2HB SER 5 6.379 -3.529 -13.749 352 HB3 SER 5 1HB SER 5 6.019 -2.868 -12.153 353 HG SER 5 HG SER 5 8.435 -3.573 -11.878 354 H GLU 6 H GLU 6 4.655 -5.890 -10.724 355 HA GLU 6 HA GLU 6 3.161 -7.089 -12.908 356 HB2 GLU 6 2HB GLU 6 1.848 -8.162 -11.202 357 HB3 GLU 6 1HB GLU 6 3.542 -8.304 -10.755 358 HG2 GLU 6 2HG GLU 6 1.991 -6.018 -9.669 359 HG3 GLU 6 1HG GLU 6 1.686 -7.624 -9.013 360 H GLU 7 H GLU 7 0.617 -6.873 -12.426 361 HA GLU 7 HA GLU 7 -0.168 -4.389 -13.327 362 HB2 GLU 7 2HB GLU 7 -2.466 -5.041 -12.388 363 HB3 GLU 7 1HB GLU 7 -1.736 -6.104 -13.581 364 HG2 GLU 7 2HG GLU 7 -1.238 -6.705 -10.723 365 HG3 GLU 7 1HG GLU 7 -2.856 -7.004 -11.354 366 H VAL 8 H VAL 8 0.132 -2.504 -12.426 367 HA VAL 8 HA VAL 8 0.251 -2.158 -9.567 368 HB VAL 8 HB VAL 8 0.298 0.008 -11.675 369 HG11 VAL 8 1HG1 VAL 8 -0.064 0.798 -9.407 370 HG12 VAL 8 2HG1 VAL 8 1.542 1.259 -9.971 371 HG13 VAL 8 3HG1 VAL 8 1.354 -0.092 -8.853 372 HG21 VAL 8 1HG2 VAL 8 2.027 -1.593 -12.227 373 HG22 VAL 8 2HG2 VAL 8 2.604 -1.586 -10.561 374 HG23 VAL 8 3HG2 VAL 8 2.759 -0.137 -11.554 375 H LEU 9 H LEU 9 -1.365 -1.513 -8.300 376 HA LEU 9 HA LEU 9 -3.944 -0.935 -9.546 377 HB2 LEU 9 2HB LEU 9 -3.251 -1.492 -6.659 378 HB3 LEU 9 1HB LEU 9 -4.871 -1.297 -7.299 379 HG LEU 9 HG LEU 9 -2.960 -3.524 -8.008 380 HD11 LEU 9 1HD1 LEU 9 -5.465 -3.513 -6.331 381 HD12 LEU 9 2HD1 LEU 9 -3.816 -3.730 -5.745 382 HD13 LEU 9 3HD1 LEU 9 -4.546 -4.945 -6.794 383 HD21 LEU 9 1HD2 LEU 9 -4.902 -4.503 -9.162 384 HD22 LEU 9 2HD2 LEU 9 -4.386 -2.982 -9.889 385 HD23 LEU 9 3HD2 LEU 9 -5.812 -3.025 -8.852 386 H LEU 10 H LEU 10 -1.487 0.525 -7.500 387 HA LEU 10 HA LEU 10 -2.911 3.088 -7.793 388 HB2 LEU 10 2HB LEU 10 -3.269 1.910 -5.537 389 HB3 LEU 10 1HB LEU 10 -1.601 2.338 -5.201 390 HG LEU 10 HG LEU 10 -2.283 4.749 -5.698 391 HD11 LEU 10 1HD1 LEU 10 -5.027 3.565 -5.320 392 HD12 LEU 10 2HD1 LEU 10 -4.400 4.286 -6.803 393 HD13 LEU 10 3HD1 LEU 10 -4.641 5.285 -5.368 394 HD21 LEU 10 1HD2 LEU 10 -1.805 3.960 -3.463 395 HD22 LEU 10 2HD2 LEU 10 -3.438 3.312 -3.317 396 HD23 LEU 10 3HD2 LEU 10 -3.187 5.054 -3.434 397 H ILE 11 H ILE 11 -1.624 4.817 -8.193 398 HA ILE 11 HA ILE 11 1.283 4.400 -7.976 399 HB ILE 11 HB ILE 11 -0.140 5.909 -10.176 400 HG12 ILE 11 2HG1 ILE 11 1.425 3.318 -10.249 401 HG13 ILE 11 1HG1 ILE 11 -0.323 3.463 -10.402 402 HG21 ILE 11 1HG2 ILE 11 2.027 6.896 -9.478 403 HG22 ILE 11 2HG2 ILE 11 2.046 6.282 -11.131 404 HG23 ILE 11 3HG2 ILE 11 2.809 5.357 -9.838 405 HD11 ILE 11 1HD1 ILE 11 0.012 4.774 -12.467 406 HD12 ILE 11 2HD1 ILE 11 0.653 3.133 -12.567 407 HD13 ILE 11 3HD1 ILE 11 1.748 4.496 -12.323 408 H VAL 12 H VAL 12 1.920 5.612 -6.350 409 HA VAL 12 HA VAL 12 0.874 8.356 -6.089 410 HB VAL 12 HB VAL 12 2.226 6.579 -4.041 411 HG11 VAL 12 1HG1 VAL 12 2.861 8.916 -3.721 412 HG12 VAL 12 2HG1 VAL 12 1.781 8.371 -2.437 413 HG13 VAL 12 3HG1 VAL 12 1.161 9.387 -3.739 414 HG21 VAL 12 1HG2 VAL 12 0.061 6.670 -2.898 415 HG22 VAL 12 2HG2 VAL 12 -0.077 5.951 -4.501 416 HG23 VAL 12 3HG2 VAL 12 -0.600 7.614 -4.233 417 H LYS 13 H LYS 13 2.343 10.058 -6.090 418 HA LYS 13 HA LYS 13 5.106 9.302 -6.812 419 HB2 LYS 13 2HB LYS 13 3.696 11.808 -7.726 420 HB3 LYS 13 1HB LYS 13 5.239 11.179 -8.289 421 HG2 LYS 13 2HG LYS 13 4.247 9.967 -9.851 422 HG3 LYS 13 1HG LYS 13 3.166 9.227 -8.670 423 HD2 LYS 13 2HD LYS 13 2.706 11.987 -9.768 424 HD3 LYS 13 1HD LYS 13 2.086 10.541 -10.563 425 HE2 LYS 13 2HE LYS 13 0.293 11.195 -9.247 426 HE3 LYS 13 1HE LYS 13 1.086 9.984 -8.242 427 HZ1 LYS 13 1HZ LYS 13 2.324 12.190 -7.420 428 HZ2 LYS 13 2HZ LYS 13 0.919 11.587 -6.692 429 HZ3 LYS 13 3HZ LYS 13 0.816 12.843 -7.824 430 H LYS 14 H LYS 14 6.697 11.061 -6.414 431 HA LYS 14 HA LYS 14 7.890 12.204 -4.873 432 HB2 LYS 14 2HB LYS 14 5.301 13.570 -5.152 433 HB3 LYS 14 1HB LYS 14 6.313 14.100 -3.812 434 HG2 LYS 14 2HG LYS 14 7.740 13.844 -6.348 435 HG3 LYS 14 1HG LYS 14 6.432 15.027 -6.385 436 HD2 LYS 14 2HD LYS 14 8.010 15.226 -3.960 437 HD3 LYS 14 1HD LYS 14 8.998 15.424 -5.408 438 HE2 LYS 14 2HE LYS 14 8.193 17.581 -4.707 439 HE3 LYS 14 1HE LYS 14 7.398 17.132 -6.215 440 HZ1 LYS 14 1HZ LYS 14 5.903 18.115 -4.507 441 HZ2 LYS 14 2HZ LYS 14 6.183 16.752 -3.536 442 HZ3 LYS 14 3HZ LYS 14 5.422 16.575 -5.041 443 H VAL 15 H VAL 15 7.830 10.145 -3.684 444 HA VAL 15 HA VAL 15 6.749 10.552 -0.976 445 HB VAL 15 HB VAL 15 6.915 7.937 -2.499 446 HG11 VAL 15 1HG1 VAL 15 7.559 7.602 -0.175 447 HG12 VAL 15 2HG1 VAL 15 5.973 6.896 -0.488 448 HG13 VAL 15 3HG1 VAL 15 6.100 8.436 0.363 449 HG21 VAL 15 1HG2 VAL 15 4.532 9.395 -1.367 450 HG22 VAL 15 2HG2 VAL 15 4.505 7.866 -2.245 451 HG23 VAL 15 3HG2 VAL 15 4.986 9.348 -3.071 452 H ARG 16 H ARG 16 8.387 10.751 0.417 453 HA ARG 16 HA ARG 16 11.023 9.773 -0.380 454 HB2 ARG 16 2HB ARG 16 10.316 11.513 1.989 455 HB3 ARG 16 1HB ARG 16 11.921 11.205 1.344 456 HG2 ARG 16 2HG ARG 16 10.805 12.206 -0.846 457 HG3 ARG 16 1HG ARG 16 9.785 12.995 0.357 458 HD2 ARG 16 2HD ARG 16 12.797 13.074 0.311 459 HD3 ARG 16 1HD ARG 16 11.744 14.346 -0.301 460 HE ARG 16 HE ARG 16 11.550 13.538 2.522 461 HH11 ARG 16 1HH1 ARG 16 12.292 15.937 0.087 462 HH12 ARG 16 2HH1 ARG 16 12.497 17.238 1.226 463 HH21 ARG 16 1HH2 ARG 16 11.790 15.243 4.033 464 HH22 ARG 16 2HH2 ARG 16 12.225 16.839 3.477 465 H GLN 17 H GLN 17 12.042 8.166 0.545 466 HA GLN 17 HA GLN 17 10.863 6.914 2.940 467 HB2 GLN 17 2HB GLN 17 11.153 5.732 0.544 468 HB3 GLN 17 1HB GLN 17 12.764 5.435 1.177 469 HG2 GLN 17 2HG GLN 17 10.261 4.677 2.653 470 HG3 GLN 17 1HG GLN 17 11.066 3.607 1.509 471 HE21 GLN 17 1HE2 GLN 17 13.738 4.509 2.274 472 HE22 GLN 17 2HE2 GLN 17 14.054 3.793 3.813 473 H LYS 18 H LYS 18 12.002 7.752 4.590 474 HA LYS 18 HA LYS 18 13.710 8.609 5.821 475 HB2 LYS 18 2HB LYS 18 14.345 5.837 5.043 476 HB3 LYS 18 1HB LYS 18 15.608 6.735 5.882 477 HG2 LYS 18 2HG LYS 18 13.103 7.118 7.217 478 HG3 LYS 18 1HG LYS 18 13.389 5.394 6.982 479 HD2 LYS 18 2HD LYS 18 14.381 5.874 9.049 480 HD3 LYS 18 1HD LYS 18 15.731 5.838 7.914 481 HE2 LYS 18 2HE LYS 18 16.157 7.742 9.168 482 HE3 LYS 18 1HE LYS 18 15.356 8.384 7.736 483 HZ1 LYS 18 1HZ LYS 18 13.301 8.533 8.975 484 HZ2 LYS 18 2HZ LYS 18 14.522 9.376 9.790 485 HZ3 LYS 18 3HZ LYS 18 14.022 7.848 10.347 486 H LYS 19 H LYS 19 14.025 10.248 4.066 487 HA LYS 19 HA LYS 19 15.390 11.707 3.071 488 HB2 LYS 19 2HB LYS 19 17.228 9.932 4.472 489 HB3 LYS 19 1HB LYS 19 17.958 10.927 3.213 490 HG2 LYS 19 2HG LYS 19 16.308 11.934 5.530 491 HG3 LYS 19 1HG LYS 19 18.069 11.969 5.437 492 HD2 LYS 19 2HD LYS 19 18.017 13.872 4.280 493 HD3 LYS 19 1HD LYS 19 16.939 13.157 3.079 494 HE2 LYS 19 2HE LYS 19 15.941 14.174 5.723 495 HE3 LYS 19 1HE LYS 19 16.115 15.225 4.320 496 HZ1 LYS 19 1HZ LYS 19 13.871 14.379 4.477 497 HZ2 LYS 19 2HZ LYS 19 14.421 12.778 4.463 498 HZ3 LYS 19 3HZ LYS 19 14.620 13.754 3.088 499 H GLN 20 H GLN 20 14.202 9.671 1.474 500 HA GLN 20 HA GLN 20 15.901 9.981 -0.869 501 HB2 GLN 20 2HB GLN 20 15.132 7.362 0.337 502 HB3 GLN 20 1HB GLN 20 15.063 7.497 -1.413 503 HG2 GLN 20 2HG GLN 20 17.223 7.050 -1.481 504 HG3 GLN 20 1HG GLN 20 17.529 8.585 -0.669 505 HE21 GLN 20 1HE2 GLN 20 17.926 8.609 1.528 506 HE22 GLN 20 2HE2 GLN 20 18.301 7.176 2.418 507 H ASP 21 H ASP 21 14.580 10.970 -2.318 508 HA ASP 21 HA ASP 21 11.711 10.756 -1.998 509 HB2 ASP 21 2HB ASP 21 13.283 12.807 -2.838 510 HB3 ASP 21 1HB ASP 21 12.750 12.153 -4.385 511 H GLY 22 H GLY 22 10.251 10.071 -3.649 512 HA2 GLY 22 2HA GLY 22 11.053 8.870 -6.052 513 HA3 GLY 22 1HA GLY 22 10.979 7.623 -4.819 514 H ALA 23 H ALA 23 9.342 6.638 -6.078 515 HA ALA 23 HA ALA 23 6.698 7.886 -5.700 516 HB1 ALA 23 1HB ALA 23 5.963 6.913 -7.799 517 HB2 ALA 23 2HB ALA 23 7.555 6.197 -8.050 518 HB3 ALA 23 3HB ALA 23 7.364 7.951 -8.071 519 H LEU 24 H LEU 24 5.047 6.499 -5.087 520 HA LEU 24 HA LEU 24 5.932 3.840 -4.179 521 HB2 LEU 24 2HB LEU 24 5.207 5.525 -2.447 522 HB3 LEU 24 1HB LEU 24 3.595 5.426 -3.133 523 HG LEU 24 HG LEU 24 3.774 2.902 -2.690 524 HD11 LEU 24 1HD1 LEU 24 6.139 2.782 -2.248 525 HD12 LEU 24 2HD1 LEU 24 5.232 2.300 -0.815 526 HD13 LEU 24 3HD1 LEU 24 5.969 3.900 -0.893 527 HD21 LEU 24 1HD2 LEU 24 3.607 4.859 -0.402 528 HD22 LEU 24 2HD2 LEU 24 3.010 3.200 -0.377 529 HD23 LEU 24 3HD2 LEU 24 2.283 4.381 -1.465 530 H TYR 25 H TYR 25 5.074 2.141 -5.146 531 HA TYR 25 HA TYR 25 2.617 2.536 -6.724 532 HB2 TYR 25 2HB TYR 25 4.991 0.734 -7.209 533 HB3 TYR 25 1HB TYR 25 3.473 0.573 -8.080 534 HD1 TYR 25 1HD TYR 25 6.138 3.079 -7.322 535 HD2 TYR 25 2HD TYR 25 3.172 1.738 -10.061 536 HE1 TYR 25 1HE TYR 25 6.922 4.726 -8.968 537 HE2 TYR 25 2HE TYR 25 3.947 3.386 -11.713 538 HH TYR 25 HH TYR 25 6.805 5.365 -11.134 539 H LEU 26 H LEU 26 0.892 1.484 -6.007 540 HA LEU 26 HA LEU 26 1.260 -0.729 -4.139 541 HB2 LEU 26 2HB LEU 26 -1.266 0.681 -5.005 542 HB3 LEU 26 1HB LEU 26 -1.195 -0.616 -3.829 543 HG LEU 26 HG LEU 26 -0.394 2.230 -3.557 544 HD11 LEU 26 1HD1 LEU 26 -2.557 1.270 -2.721 545 HD12 LEU 26 2HD1 LEU 26 -1.576 2.082 -1.501 546 HD13 LEU 26 3HD1 LEU 26 -1.609 0.320 -1.575 547 HD21 LEU 26 1HD2 LEU 26 1.665 1.052 -3.054 548 HD22 LEU 26 2HD2 LEU 26 0.800 -0.001 -1.933 549 HD23 LEU 26 3HD2 LEU 26 0.948 1.723 -1.589 550 H MET 27 H MET 27 1.273 -2.728 -4.885 551 HA MET 27 HA MET 27 0.245 -3.173 -7.601 552 HB2 MET 27 2HB MET 27 1.951 -5.184 -6.239 553 HB3 MET 27 1HB MET 27 1.888 -4.688 -7.926 554 HG2 MET 27 2HG MET 27 3.076 -3.033 -5.721 555 HG3 MET 27 1HG MET 27 3.998 -4.087 -6.790 556 HE1 MET 27 1HE MET 27 4.332 -2.305 -10.002 557 HE2 MET 27 2HE MET 27 3.615 -3.841 -9.510 558 HE3 MET 27 3HE MET 27 5.118 -3.290 -8.768 559 H ALA 28 H ALA 28 -0.526 -5.418 -7.991 560 HA ALA 28 HA ALA 28 -2.879 -5.957 -6.766 561 HB1 ALA 28 1HB ALA 28 -1.979 -6.939 -8.889 562 HB2 ALA 28 2HB ALA 28 -2.896 -8.046 -7.867 563 HB3 ALA 28 3HB ALA 28 -1.134 -8.124 -7.894 564 H GLU 29 H GLU 29 0.205 -7.581 -5.902 565 HA GLU 29 HA GLU 29 -1.136 -8.418 -3.413 566 HB2 GLU 29 2HB GLU 29 0.555 -9.940 -5.317 567 HB3 GLU 29 1HB GLU 29 0.755 -10.288 -3.607 568 HG2 GLU 29 2HG GLU 29 -2.031 -10.184 -4.339 569 HG3 GLU 29 1HG GLU 29 -1.141 -11.355 -5.314 570 H ARG 30 H ARG 30 0.828 -6.089 -4.164 571 HA ARG 30 HA ARG 30 2.258 -6.231 -1.689 572 HB2 ARG 30 2HB ARG 30 4.510 -6.364 -2.466 573 HB3 ARG 30 1HB ARG 30 3.643 -7.721 -3.173 574 HG2 ARG 30 2HG ARG 30 3.518 -6.628 -5.292 575 HG3 ARG 30 1HG ARG 30 4.154 -5.130 -4.614 576 HD2 ARG 30 2HD ARG 30 6.306 -6.031 -4.360 577 HD3 ARG 30 1HD ARG 30 5.726 -7.689 -4.544 578 HE ARG 30 HE ARG 30 5.080 -6.765 -6.911 579 HH11 ARG 30 1HH1 ARG 30 8.052 -6.180 -5.108 580 HH12 ARG 30 2HH1 ARG 30 8.997 -5.921 -6.539 581 HH21 ARG 30 1HH2 ARG 30 6.295 -6.400 -8.753 582 HH22 ARG 30 2HH2 ARG 30 7.998 -6.049 -8.633 583 H ILE 31 H ILE 31 3.862 -4.425 -1.494 584 HA ILE 31 HA ILE 31 3.034 -2.083 -3.075 585 HB ILE 31 HB ILE 31 2.069 -1.699 -0.937 586 HG12 ILE 31 2HG1 ILE 31 4.771 -0.337 -0.884 587 HG13 ILE 31 1HG1 ILE 31 3.378 0.211 -1.811 588 HG21 ILE 31 1HG2 ILE 31 3.272 -1.967 1.178 589 HG22 ILE 31 2HG2 ILE 31 4.670 -2.585 0.297 590 HG23 ILE 31 3HG2 ILE 31 3.153 -3.485 0.288 591 HD11 ILE 31 1HD1 ILE 31 3.573 0.043 1.187 592 HD12 ILE 31 2HD1 ILE 31 2.138 0.532 0.286 593 HD13 ILE 31 3HD1 ILE 31 3.605 1.509 0.208 594 H ALA 32 H ALA 32 4.698 -1.003 -3.987 595 HA ALA 32 HA ALA 32 7.394 -1.621 -2.998 596 HB1 ALA 32 1HB ALA 32 6.625 -1.538 -5.906 597 HB2 ALA 32 2HB ALA 32 6.865 -3.010 -4.963 598 HB3 ALA 32 3HB ALA 32 8.214 -1.908 -5.235 599 H TRP 33 H TRP 33 8.933 -0.045 -3.238 600 HA TRP 33 HA TRP 33 7.970 2.580 -4.157 601 HB2 TRP 33 2HB TRP 33 8.038 2.580 -1.715 602 HB3 TRP 33 1HB TRP 33 9.692 1.989 -1.737 603 HD1 TRP 33 HD TRP 33 7.639 5.158 -2.207 604 HE1 TRP 33 1HE TRP 33 9.225 7.190 -2.270 605 HE3 TRP 33 3HE TRP 33 12.125 2.697 -2.358 606 HZ2 TRP 33 2HZ TRP 33 11.989 7.678 -2.376 607 HZ3 TRP 33 3HZ TRP 33 14.193 4.028 -2.444 608 HH2 TRP 33 HH TRP 33 14.123 6.473 -2.455 609 H ALA 34 H ALA 34 9.284 3.665 -5.473 610 HA ALA 34 HA ALA 34 12.060 2.753 -5.813 611 HB1 ALA 34 1HB ALA 34 11.821 2.934 -8.250 612 HB2 ALA 34 2HB ALA 34 10.105 3.295 -8.054 613 HB3 ALA 34 3HB ALA 34 10.733 1.712 -7.590 614 HA PRO 35 HA PRO 35 12.894 7.099 -5.528 615 HB2 PRO 35 2HB PRO 35 15.044 6.692 -7.521 616 HB3 PRO 35 1HB PRO 35 15.146 7.293 -5.863 617 HG2 PRO 35 2HG PRO 35 16.024 4.845 -6.531 618 HG3 PRO 35 1HG PRO 35 15.273 5.176 -4.960 619 HD2 PRO 35 2HD PRO 35 14.120 3.837 -7.370 620 HD3 PRO 35 1HD PRO 35 13.882 3.466 -5.650 621 H GLU 36 H GLU 36 12.389 8.948 -6.668 622 HA GLU 36 HA GLU 36 10.642 8.735 -8.817 623 HB2 GLU 36 2HB GLU 36 11.052 10.668 -7.107 624 HB3 GLU 36 1HB GLU 36 12.159 11.271 -8.332 625 HG2 GLU 36 2HG GLU 36 9.949 12.295 -8.507 626 HG3 GLU 36 1HG GLU 36 10.368 11.379 -9.952 627 H GLY 37 H GLY 37 10.980 8.249 -10.833 628 HA2 GLY 37 2HA GLY 37 11.926 8.847 -12.967 629 HA3 GLY 37 1HA GLY 37 13.434 9.213 -12.144 630 H LYS 38 H LYS 38 12.508 6.490 -10.658 631 HA LYS 38 HA LYS 38 13.907 4.825 -12.644 632 HB2 LYS 38 2HB LYS 38 15.074 5.255 -10.435 633 HB3 LYS 38 1HB LYS 38 13.814 4.287 -9.679 634 HG2 LYS 38 2HG LYS 38 15.957 3.080 -10.206 635 HG3 LYS 38 1HG LYS 38 14.485 2.335 -10.833 636 HD2 LYS 38 2HD LYS 38 14.962 3.566 -13.004 637 HD3 LYS 38 1HD LYS 38 16.557 3.920 -12.337 638 HE2 LYS 38 2HE LYS 38 17.265 1.769 -12.528 639 HE3 LYS 38 1HE LYS 38 15.657 1.101 -12.249 640 HZ1 LYS 38 1HZ LYS 38 16.259 2.549 -14.748 641 HZ2 LYS 38 2HZ LYS 38 15.055 1.388 -14.453 642 HZ3 LYS 38 3HZ LYS 38 16.679 0.920 -14.581 643 H ASP 39 H ASP 39 13.081 2.950 -13.283 644 HA ASP 39 HA ASP 39 10.307 2.377 -12.672 645 HB2 ASP 39 2HB ASP 39 10.332 1.037 -14.607 646 HB3 ASP 39 1HB ASP 39 11.439 2.353 -15.000 647 H ARG 40 H ARG 40 13.199 1.479 -11.328 648 HA ARG 40 HA ARG 40 12.256 -1.227 -10.684 649 HB2 ARG 40 2HB ARG 40 14.631 -0.616 -11.756 650 HB3 ARG 40 1HB ARG 40 15.045 -0.414 -10.059 651 HG2 ARG 40 2HG ARG 40 15.535 -2.669 -10.987 652 HG3 ARG 40 1HG ARG 40 14.485 -2.675 -9.570 653 HD2 ARG 40 2HD ARG 40 13.794 -4.225 -11.421 654 HD3 ARG 40 1HD ARG 40 12.556 -3.087 -10.894 655 HE ARG 40 HE ARG 40 12.977 -1.809 -12.906 656 HH11 ARG 40 1HH1 ARG 40 14.368 -5.019 -12.814 657 HH12 ARG 40 2HH1 ARG 40 14.478 -5.161 -14.535 658 HH21 ARG 40 1HH2 ARG 40 13.105 -1.976 -15.162 659 HH22 ARG 40 2HH2 ARG 40 13.768 -3.419 -15.881 660 H PHE 41 H PHE 41 11.394 -1.457 -8.782 661 HA PHE 41 HA PHE 41 11.613 0.561 -6.754 662 HB2 PHE 41 2HB PHE 41 10.326 -2.093 -6.262 663 HB3 PHE 41 1HB PHE 41 9.831 -0.495 -5.717 664 HD1 PHE 41 1HD PHE 41 8.832 1.094 -7.420 665 HD2 PHE 41 2HD PHE 41 9.395 -3.057 -8.170 666 HE1 PHE 41 1HE PHE 41 7.191 1.205 -9.247 667 HE2 PHE 41 2HE PHE 41 7.756 -2.953 -10.000 668 HZ PHE 41 HZ PHE 41 6.651 -0.820 -10.541 669 H THR 42 H THR 42 12.865 0.554 -4.998 670 HA THR 42 HA THR 42 14.744 -1.639 -4.634 671 HB THR 42 HB THR 42 15.451 0.064 -2.699 672 HG1 THR 42 1HG THR 42 14.698 2.051 -2.987 673 HG21 THR 42 1HG2 THR 42 16.010 0.456 -5.642 674 HG22 THR 42 2HG2 THR 42 16.899 -0.590 -4.533 675 HG23 THR 42 3HG2 THR 42 16.954 1.162 -4.330 676 H ILE 43 H ILE 43 11.926 -0.250 -3.204 677 HA ILE 43 HA ILE 43 12.138 -2.022 -0.864 678 HB ILE 43 HB ILE 43 10.344 0.372 -1.334 679 HG12 ILE 43 2HG1 ILE 43 12.729 0.924 -0.932 680 HG13 ILE 43 1HG1 ILE 43 11.675 1.492 0.358 681 HG21 ILE 43 1HG2 ILE 43 10.610 -1.393 1.096 682 HG22 ILE 43 2HG2 ILE 43 9.207 -1.267 0.033 683 HG23 ILE 43 3HG2 ILE 43 9.690 0.111 1.024 684 HD11 ILE 43 1HD1 ILE 43 12.359 -0.329 1.775 685 HD12 ILE 43 2HD1 ILE 43 13.783 0.524 1.176 686 HD13 ILE 43 3HD1 ILE 43 13.320 -1.023 0.469 687 H SER 44 H SER 44 10.853 -3.783 -0.801 688 HA SER 44 HA SER 44 8.357 -3.774 -2.318 689 HB2 SER 44 2HB SER 44 9.985 -4.765 -3.845 690 HB3 SER 44 1HB SER 44 10.499 -5.898 -2.596 691 HG SER 44 HG SER 44 8.607 -6.974 -2.768 692 H HIS 45 H HIS 45 6.850 -4.226 -0.882 693 HA HIS 45 HA HIS 45 7.331 -6.400 1.052 694 HB2 HIS 45 2HB HIS 45 5.999 -3.731 1.522 695 HB3 HIS 45 1HB HIS 45 5.773 -5.105 2.596 696 HD1 HIS 45 1HD HIS 45 8.156 -6.029 3.671 697 HD2 HIS 45 2HD HIS 45 8.071 -2.172 2.150 698 HE1 HIS 45 1HE HIS 45 10.113 -4.817 4.705 699 H MET 46 H MET 46 5.841 -7.960 1.032 700 HA MET 46 HA MET 46 3.573 -7.591 -0.750 701 HB2 MET 46 2HB MET 46 4.693 -9.987 0.704 702 HB3 MET 46 1HB MET 46 3.132 -10.038 -0.104 703 HG2 MET 46 2HG MET 46 4.347 -9.285 -2.192 704 HG3 MET 46 1HG MET 46 5.841 -9.629 -1.324 705 HE1 MET 46 1HE MET 46 2.551 -11.165 -2.884 706 HE2 MET 46 2HE MET 46 2.397 -11.482 -1.155 707 HE3 MET 46 3HE MET 46 2.642 -12.820 -2.278 708 H TYR 47 H TYR 47 1.427 -7.821 -0.066 709 HA TYR 47 HA TYR 47 0.813 -6.606 2.394 710 HB2 TYR 47 2HB TYR 47 -0.992 -8.286 0.637 711 HB3 TYR 47 1HB TYR 47 -1.530 -7.209 1.922 712 HD1 TYR 47 1HD TYR 47 0.017 -4.802 1.518 713 HD2 TYR 47 2HD TYR 47 -1.703 -7.400 -1.377 714 HE1 TYR 47 1HE TYR 47 -0.076 -2.941 -0.086 715 HE2 TYR 47 2HE TYR 47 -1.801 -5.547 -2.987 716 HH TYR 47 HH TYR 47 -1.236 -3.445 -3.404 717 H ALA 48 H ALA 48 1.446 -9.854 1.540 718 HA ALA 48 HA ALA 48 0.101 -11.150 3.681 719 HB1 ALA 48 1HB ALA 48 1.299 -13.127 2.997 720 HB2 ALA 48 2HB ALA 48 2.407 -12.155 2.028 721 HB3 ALA 48 3HB ALA 48 0.708 -12.270 1.573 722 H ASP 49 H ASP 49 3.036 -9.371 3.541 723 HA ASP 49 HA ASP 49 4.051 -10.717 5.949 724 HB2 ASP 49 2HB ASP 49 5.581 -8.502 4.666 725 HB3 ASP 49 1HB ASP 49 6.171 -9.963 5.441 726 H ILE 50 H ILE 50 2.164 -8.104 5.111 727 HA ILE 50 HA ILE 50 3.235 -6.341 7.169 728 HB ILE 50 HB ILE 50 0.839 -5.866 5.397 729 HG12 ILE 50 2HG1 ILE 50 3.679 -4.894 5.011 730 HG13 ILE 50 1HG1 ILE 50 2.978 -6.252 4.137 731 HG21 ILE 50 1HG2 ILE 50 0.800 -4.448 7.314 732 HG22 ILE 50 2HG2 ILE 50 1.353 -3.480 5.947 733 HG23 ILE 50 3HG2 ILE 50 2.512 -4.068 7.139 734 HD11 ILE 50 1HD1 ILE 50 2.096 -3.379 4.016 735 HD12 ILE 50 2HD1 ILE 50 1.269 -4.719 3.222 736 HD13 ILE 50 3HD1 ILE 50 2.918 -4.298 2.754 737 H LYS 51 H LYS 51 2.516 -6.299 9.165 738 HA LYS 51 HA LYS 51 0.311 -7.942 10.020 739 HB2 LYS 51 2HB LYS 51 2.327 -7.780 11.386 740 HB3 LYS 51 1HB LYS 51 2.119 -6.042 11.531 741 HG2 LYS 51 2HG LYS 51 -0.108 -6.578 12.660 742 HG3 LYS 51 1HG LYS 51 0.498 -8.231 12.782 743 HD2 LYS 51 2HD LYS 51 1.981 -5.820 13.820 744 HD3 LYS 51 1HD LYS 51 0.902 -6.806 14.807 745 HE2 LYS 51 2HE LYS 51 2.610 -8.159 15.233 746 HE3 LYS 51 1HE LYS 51 2.634 -8.599 13.526 747 HZ1 LYS 51 1HZ LYS 51 4.164 -6.770 13.109 748 HZ2 LYS 51 2HZ LYS 51 4.796 -7.833 14.268 749 HZ3 LYS 51 3HZ LYS 51 4.138 -6.349 14.751 750 H CYS 52 H CYS 52 1.069 -4.486 10.112 751 HA CYS 52 HA CYS 52 -1.661 -3.746 9.633 752 HB2 CYS 52 2HB CYS 52 -1.584 -2.229 11.759 753 HB3 CYS 52 1HB CYS 52 -2.063 -3.915 11.929 754 HG CYS 52 HG CYS 52 0.202 -2.343 13.567 755 H GLN 53 H GLN 53 -1.681 -1.097 9.879 756 HA GLN 53 HA GLN 53 0.973 -0.227 8.984 757 HB2 GLN 53 2HB GLN 53 -0.345 1.174 7.274 758 HB3 GLN 53 1HB GLN 53 -0.210 -0.538 6.955 759 HG2 GLN 53 2HG GLN 53 -2.404 -0.937 7.374 760 HG3 GLN 53 1HG GLN 53 -2.559 0.428 8.478 761 HE21 GLN 53 1HE2 GLN 53 -4.358 -0.205 6.435 762 HE22 GLN 53 2HE2 GLN 53 -4.345 1.099 5.292 763 H LYS 54 H LYS 54 1.116 2.199 9.145 764 HA LYS 54 HA LYS 54 -0.837 3.429 10.974 765 HB2 LYS 54 2HB LYS 54 2.143 3.757 11.452 766 HB3 LYS 54 1HB LYS 54 0.815 4.291 12.456 767 HG2 LYS 54 2HG LYS 54 0.464 1.571 12.377 768 HG3 LYS 54 1HG LYS 54 2.221 1.765 12.436 769 HD2 LYS 54 2HD LYS 54 1.228 3.649 14.226 770 HD3 LYS 54 1HD LYS 54 0.249 2.207 14.499 771 HE2 LYS 54 2HE LYS 54 3.232 2.111 14.340 772 HE3 LYS 54 1HE LYS 54 2.381 2.454 15.845 773 HZ1 LYS 54 1HZ LYS 54 1.256 0.339 15.680 774 HZ2 LYS 54 2HZ LYS 54 2.933 0.096 15.614 775 HZ3 LYS 54 3HZ LYS 54 2.008 0.012 14.199 776 H ILE 55 H ILE 55 -0.464 5.805 11.018 777 HA ILE 55 HA ILE 55 0.947 6.764 8.587 778 HB ILE 55 HB ILE 55 -1.086 8.396 8.417 779 HG12 ILE 55 2HG1 ILE 55 -2.270 6.102 9.966 780 HG13 ILE 55 1HG1 ILE 55 -2.029 7.735 10.554 781 HG21 ILE 55 1HG2 ILE 55 -1.396 5.491 7.651 782 HG22 ILE 55 2HG2 ILE 55 -0.585 6.732 6.698 783 HG23 ILE 55 3HG2 ILE 55 -2.323 6.828 6.975 784 HD11 ILE 55 1HD1 ILE 55 -3.655 8.536 8.928 785 HD12 ILE 55 2HD1 ILE 55 -4.323 7.354 10.053 786 HD13 ILE 55 3HD1 ILE 55 -3.923 6.873 8.403 787 H SER 56 H SER 56 2.141 8.675 9.002 788 HA SER 56 HA SER 56 1.960 9.724 11.659 789 HB2 SER 56 2HB SER 56 3.517 11.480 10.944 790 HB3 SER 56 1HB SER 56 4.096 9.905 10.410 791 HG SER 56 HG SER 56 3.493 12.084 8.963 792 HA PRO 57 HA PRO 57 -2.041 11.329 10.961 793 HB2 PRO 57 2HB PRO 57 -1.985 12.906 13.247 794 HB3 PRO 57 1HB PRO 57 -2.443 11.201 13.169 795 HG2 PRO 57 2HG PRO 57 0.187 12.424 13.897 796 HG3 PRO 57 1HG PRO 57 -0.660 11.053 14.642 797 HD2 PRO 57 2HD PRO 57 1.368 10.641 13.003 798 HD3 PRO 57 1HD PRO 57 -0.071 9.604 12.932 799 H GLU 58 H GLU 58 -3.162 13.345 10.823 800 HA GLU 58 HA GLU 58 -1.843 15.359 9.392 801 HB2 GLU 58 2HB GLU 58 -4.293 16.206 10.790 802 HB3 GLU 58 1HB GLU 58 -3.921 16.221 9.074 803 HG2 GLU 58 2HG GLU 58 -4.846 13.834 10.663 804 HG3 GLU 58 1HG GLU 58 -5.831 14.797 9.565 805 H GLY 59 H GLY 59 -1.061 17.351 10.045 806 HA2 GLY 59 2HA GLY 59 -0.880 19.070 11.789 807 HA3 GLY 59 1HA GLY 59 -0.872 17.759 12.967 808 H LYS 60 H LYS 60 0.844 16.021 11.400 809 HA LYS 60 HA LYS 60 3.398 17.043 12.157 810 HB2 LYS 60 2HB LYS 60 2.439 14.620 10.686 811 HB3 LYS 60 1HB LYS 60 4.107 15.099 10.444 812 HG2 LYS 60 2HG LYS 60 4.181 15.058 13.076 813 HG3 LYS 60 1HG LYS 60 2.779 13.998 12.879 814 HD2 LYS 60 2HD LYS 60 3.985 12.375 11.784 815 HD3 LYS 60 1HD LYS 60 5.206 13.510 11.216 816 HE2 LYS 60 2HE LYS 60 4.877 12.666 14.087 817 HE3 LYS 60 1HE LYS 60 5.988 11.899 12.959 818 HZ1 LYS 60 1HZ LYS 60 7.107 13.514 14.336 819 HZ2 LYS 60 2HZ LYS 60 6.064 14.739 13.800 820 HZ3 LYS 60 3HZ LYS 60 7.137 14.008 12.709 821 H ALA 61 H ALA 61 5.069 17.797 10.748 822 HA ALA 61 HA ALA 61 4.117 19.341 8.543 823 HB1 ALA 61 1HB ALA 61 6.957 18.768 9.400 824 HB2 ALA 61 2HB ALA 61 5.965 20.119 9.950 825 HB3 ALA 61 3HB ALA 61 6.453 20.013 8.258 826 H LYS 62 H LYS 62 4.604 16.163 8.792 827 HA LYS 62 HA LYS 62 4.986 15.843 5.931 828 HB2 LYS 62 2HB LYS 62 6.503 13.832 6.499 829 HB3 LYS 62 1HB LYS 62 7.204 15.442 6.566 830 HG2 LYS 62 2HG LYS 62 6.065 14.617 9.107 831 HG3 LYS 62 1HG LYS 62 7.325 13.524 8.533 832 HD2 LYS 62 2HD LYS 62 7.870 16.429 8.342 833 HD3 LYS 62 1HD LYS 62 7.852 15.720 9.959 834 HE2 LYS 62 2HE LYS 62 9.310 13.908 8.483 835 HE3 LYS 62 1HE LYS 62 9.817 15.466 7.829 836 HZ1 LYS 62 1HZ LYS 62 10.437 16.206 9.994 837 HZ2 LYS 62 2HZ LYS 62 11.162 14.694 9.737 838 HZ3 LYS 62 3HZ LYS 62 9.786 14.814 10.726 839 H ILE 63 H ILE 63 3.169 14.865 5.357 840 HA ILE 63 HA ILE 63 1.724 13.098 7.127 841 HB ILE 63 HB ILE 63 1.232 13.748 4.207 842 HG12 ILE 63 2HG1 ILE 63 -0.586 14.896 6.178 843 HG13 ILE 63 1HG1 ILE 63 1.071 15.450 6.396 844 HG21 ILE 63 1HG2 ILE 63 -1.044 12.964 4.631 845 HG22 ILE 63 2HG2 ILE 63 -0.588 12.530 6.278 846 HG23 ILE 63 3HG2 ILE 63 0.139 11.687 4.910 847 HD11 ILE 63 1HD1 ILE 63 -0.205 16.951 4.973 848 HD12 ILE 63 2HD1 ILE 63 -0.523 15.629 3.850 849 HD13 ILE 63 3HD1 ILE 63 1.126 16.208 4.086 850 H GLN 64 H GLN 64 2.490 11.038 7.427 851 HA GLN 64 HA GLN 64 3.627 9.725 5.018 852 HB2 GLN 64 2HB GLN 64 4.767 9.569 7.808 853 HB3 GLN 64 1HB GLN 64 5.404 8.766 6.380 854 HG2 GLN 64 2HG GLN 64 6.279 10.693 5.515 855 HG3 GLN 64 1HG GLN 64 5.116 11.723 6.345 856 HE21 GLN 64 1HE2 GLN 64 5.452 10.726 8.940 857 HE22 GLN 64 2HE2 GLN 64 7.026 11.196 9.506 858 H LEU 65 H LEU 65 3.978 7.387 5.299 859 HA LEU 65 HA LEU 65 1.873 6.111 6.925 860 HB2 LEU 65 2HB LEU 65 1.466 6.107 4.431 861 HB3 LEU 65 1HB LEU 65 2.918 5.137 4.263 862 HG LEU 65 HG LEU 65 1.623 3.622 6.049 863 HD11 LEU 65 1HD1 LEU 65 -0.308 5.082 6.182 864 HD12 LEU 65 2HD1 LEU 65 -0.738 3.507 5.517 865 HD13 LEU 65 3HD1 LEU 65 -0.575 4.901 4.448 866 HD21 LEU 65 1HD2 LEU 65 1.138 3.587 3.084 867 HD22 LEU 65 2HD2 LEU 65 0.863 2.244 4.194 868 HD23 LEU 65 3HD2 LEU 65 2.498 2.850 3.932 869 H GLN 66 H GLN 66 2.458 4.212 7.971 870 HA GLN 66 HA GLN 66 5.262 3.352 7.726 871 HB2 GLN 66 2HB GLN 66 4.816 4.699 9.784 872 HB3 GLN 66 1HB GLN 66 3.649 3.485 10.276 873 HG2 GLN 66 2HG GLN 66 5.332 1.833 10.520 874 HG3 GLN 66 1HG GLN 66 6.542 2.865 9.756 875 HE21 GLN 66 1HE2 GLN 66 7.507 4.476 10.921 876 HE22 GLN 66 2HE2 GLN 66 7.342 4.627 12.640 877 H LEU 67 H LEU 67 5.369 1.297 7.094 878 HA LEU 67 HA LEU 67 3.040 -0.431 7.461 879 HB2 LEU 67 2HB LEU 67 5.529 -0.631 5.785 880 HB3 LEU 67 1HB LEU 67 4.452 -1.997 6.006 881 HG LEU 67 HG LEU 67 3.758 0.642 4.728 882 HD11 LEU 67 1HD1 LEU 67 3.473 -0.734 2.717 883 HD12 LEU 67 2HD1 LEU 67 4.024 -2.147 3.616 884 HD13 LEU 67 3HD1 LEU 67 5.125 -0.799 3.330 885 HD21 LEU 67 1HD2 LEU 67 1.580 -0.366 4.267 886 HD22 LEU 67 2HD2 LEU 67 1.869 -0.245 6.003 887 HD23 LEU 67 3HD2 LEU 67 2.043 -1.799 5.187 888 H VAL 68 H VAL 68 2.982 -1.561 9.316 889 HA VAL 68 HA VAL 68 5.512 -2.433 10.502 890 HB VAL 68 HB VAL 68 2.706 -2.572 11.633 891 HG11 VAL 68 1HG1 VAL 68 3.797 -3.226 13.728 892 HG12 VAL 68 2HG1 VAL 68 5.358 -3.248 12.908 893 HG13 VAL 68 3HG1 VAL 68 4.106 -4.404 12.451 894 HG21 VAL 68 1HG2 VAL 68 5.054 -0.816 12.325 895 HG22 VAL 68 2HG2 VAL 68 3.509 -0.851 13.175 896 HG23 VAL 68 3HG2 VAL 68 3.582 -0.305 11.500 897 H LEU 69 H LEU 69 6.256 -4.276 9.783 898 HA LEU 69 HA LEU 69 4.572 -6.194 8.510 899 HB2 LEU 69 2HB LEU 69 7.474 -6.402 9.268 900 HB3 LEU 69 1HB LEU 69 6.605 -7.511 8.221 901 HG LEU 69 HG LEU 69 7.681 -4.821 7.657 902 HD11 LEU 69 1HD1 LEU 69 8.061 -5.867 5.470 903 HD12 LEU 69 2HD1 LEU 69 7.260 -7.322 6.060 904 HD13 LEU 69 3HD1 LEU 69 8.762 -6.779 6.806 905 HD21 LEU 69 1HD2 LEU 69 5.170 -5.783 6.328 906 HD22 LEU 69 2HD2 LEU 69 6.165 -4.423 5.804 907 HD23 LEU 69 3HD2 LEU 69 5.331 -4.360 7.358 908 H HIS 70 H HIS 70 5.017 -8.610 9.130 909 HA HIS 70 HA HIS 70 3.640 -9.068 11.517 910 HB2 HIS 70 2HB HIS 70 5.191 -10.909 9.717 911 HB3 HIS 70 1HB HIS 70 4.334 -11.490 11.142 912 HD1 HIS 70 1HD HIS 70 1.824 -9.516 10.677 913 HD2 HIS 70 2HD HIS 70 3.505 -12.116 7.922 914 HE1 HIS 70 1HE HIS 70 0.035 -9.985 8.961 915 H ALA 71 H ALA 71 7.137 -9.447 10.878 916 HA ALA 71 HA ALA 71 7.677 -10.517 13.466 917 HB1 ALA 71 1HB ALA 71 9.153 -10.960 11.589 918 HB2 ALA 71 2HB ALA 71 10.035 -10.168 12.896 919 HB3 ALA 71 3HB ALA 71 9.548 -9.245 11.474 920 H GLY 72 H GLY 72 7.323 -7.326 12.229 921 HA2 GLY 72 2HA GLY 72 6.825 -5.617 13.974 922 HA3 GLY 72 1HA GLY 72 8.253 -6.222 14.813 923 H ASP 73 H ASP 73 8.043 -5.966 11.407 924 HA ASP 73 HA ASP 73 10.337 -4.204 11.284 925 HB2 ASP 73 2HB ASP 73 8.834 -5.245 8.903 926 HB3 ASP 73 1HB ASP 73 10.551 -4.941 9.063 927 H THR 74 H THR 74 10.217 -2.275 9.819 928 HA THR 74 HA THR 74 7.515 -1.304 9.363 929 HB THR 74 HB THR 74 8.351 0.956 10.418 930 HG1 THR 74 1HG THR 74 9.838 -0.993 11.874 931 HG21 THR 74 1HG2 THR 74 7.455 -1.349 12.139 932 HG22 THR 74 2HG2 THR 74 6.401 -0.302 11.188 933 HG23 THR 74 3HG2 THR 74 7.315 0.362 12.542 934 H THR 75 H THR 75 7.327 0.163 7.762 935 HA THR 75 HA THR 75 9.772 1.149 6.464 936 HB THR 75 HB THR 75 7.367 0.513 4.817 937 HG1 THR 75 1HG THR 75 8.972 -1.613 4.754 938 HG21 THR 75 1HG2 THR 75 9.103 -0.009 3.141 939 HG22 THR 75 2HG2 THR 75 10.346 0.329 4.345 940 HG23 THR 75 3HG2 THR 75 9.280 1.620 3.791 941 H ASN 76 H ASN 76 9.743 3.317 6.212 942 HA ASN 76 HA ASN 76 7.219 4.719 6.718 943 HB2 ASN 76 2HB ASN 76 10.074 5.373 7.171 944 HB3 ASN 76 1HB ASN 76 9.006 6.712 6.772 945 HD21 ASN 76 1HD2 ASN 76 9.237 7.614 8.784 946 HD22 ASN 76 2HD2 ASN 76 8.488 6.950 10.186 947 H PHE 77 H PHE 77 6.187 5.789 5.209 948 HA PHE 77 HA PHE 77 7.633 6.532 2.750 949 HB2 PHE 77 2HB PHE 77 4.793 5.507 2.996 950 HB3 PHE 77 1HB PHE 77 5.511 6.127 1.513 951 HD1 PHE 77 1HD PHE 77 4.645 3.228 3.104 952 HD2 PHE 77 2HD PHE 77 7.958 4.979 1.089 953 HE1 PHE 77 1HE PHE 77 5.516 0.986 2.594 954 HE2 PHE 77 2HE PHE 77 8.834 2.740 0.571 955 HZ PHE 77 HZ PHE 77 7.610 0.739 1.324 956 H HIS 78 H HIS 78 7.892 8.657 2.901 957 HA HIS 78 HA HIS 78 5.843 10.340 4.111 958 HB2 HIS 78 2HB HIS 78 8.106 10.801 4.770 959 HB3 HIS 78 1HB HIS 78 8.642 10.869 3.100 960 HD1 HIS 78 1HD HIS 78 9.649 13.255 3.809 961 HD2 HIS 78 2HD HIS 78 5.496 12.970 3.768 962 HE1 HIS 78 1HE HIS 78 8.767 15.625 3.779 963 H PHE 79 H PHE 79 4.286 11.220 2.913 964 HA PHE 79 HA PHE 79 4.519 11.243 0.032 965 HB2 PHE 79 2HB PHE 79 2.298 12.194 1.859 966 HB3 PHE 79 1HB PHE 79 2.198 12.123 0.102 967 HD1 PHE 79 1HD PHE 79 1.776 10.082 -1.025 968 HD2 PHE 79 2HD PHE 79 2.475 10.096 3.172 969 HE1 PHE 79 1HE PHE 79 1.021 7.745 -0.894 970 HE2 PHE 79 2HE PHE 79 1.721 7.759 3.310 971 HZ PHE 79 HZ PHE 79 0.989 6.582 1.275 972 H SER 80 H SER 80 6.230 12.673 -0.260 973 HA SER 80 HA SER 80 6.166 15.344 0.788 974 HB2 SER 80 2HB SER 80 8.142 15.441 -1.019 975 HB3 SER 80 1HB SER 80 8.346 14.696 0.568 976 HG SER 80 HG SER 80 8.806 13.524 -1.655 977 H ASN 81 H ASN 81 4.195 14.144 -1.384 978 HA ASN 81 HA ASN 81 4.552 16.143 -3.452 979 HB2 ASN 81 2HB ASN 81 3.624 13.686 -3.728 980 HB3 ASN 81 1HB ASN 81 2.091 14.450 -3.300 981 HD21 ASN 81 1HD2 ASN 81 1.163 14.206 -5.300 982 HD22 ASN 81 2HD2 ASN 81 1.684 15.132 -6.673 983 H GLU 82 H GLU 82 4.267 18.053 -2.436 984 HA GLU 82 HA GLU 82 2.453 18.828 -0.544 985 HB2 GLU 82 2HB GLU 82 2.866 21.100 -1.235 986 HB3 GLU 82 1HB GLU 82 4.355 20.179 -1.354 987 HG2 GLU 82 2HG GLU 82 2.562 20.993 -3.636 988 HG3 GLU 82 1HG GLU 82 4.136 21.676 -3.237 989 H SER 83 H SER 83 1.848 18.398 -3.955 990 HA SER 83 HA SER 83 -0.518 19.889 -4.161 991 HB2 SER 83 2HB SER 83 -0.755 17.821 -6.000 992 HB3 SER 83 1HB SER 83 0.016 19.383 -6.276 993 HG SER 83 HG SER 83 2.005 18.474 -5.686 994 H THR 84 H THR 84 -0.165 16.339 -3.768 995 HA THR 84 HA THR 84 -2.819 16.345 -2.492 996 HB THR 84 HB THR 84 -2.900 13.938 -3.660 997 HG1 THR 84 1HG THR 84 -1.079 14.000 -4.892 998 HG21 THR 84 1HG2 THR 84 -3.655 16.523 -5.030 999 HG22 THR 84 2HG2 THR 84 -4.623 15.674 -3.824 1000 HG23 THR 84 3HG2 THR 84 -4.315 14.928 -5.394 1001 H ALA 85 H ALA 85 -0.406 16.346 -1.077 1002 HA ALA 85 HA ALA 85 0.706 13.901 -0.411 1003 HB1 ALA 85 1HB ALA 85 1.592 16.073 0.321 1004 HB2 ALA 85 2HB ALA 85 1.446 14.925 1.651 1005 HB3 ALA 85 3HB ALA 85 0.257 16.216 1.465 1006 H VAL 86 H VAL 86 -2.019 15.527 1.188 1007 HA VAL 86 HA VAL 86 -2.455 13.465 3.080 1008 HB VAL 86 HB VAL 86 -4.260 15.685 2.117 1009 HG11 VAL 86 1HG1 VAL 86 -5.569 15.287 4.166 1010 HG12 VAL 86 2HG1 VAL 86 -4.583 13.863 4.500 1011 HG13 VAL 86 3HG1 VAL 86 -5.615 13.904 3.071 1012 HG21 VAL 86 1HG2 VAL 86 -3.663 16.763 4.233 1013 HG22 VAL 86 2HG2 VAL 86 -2.262 16.501 3.196 1014 HG23 VAL 86 3HG2 VAL 86 -2.548 15.443 4.576 1015 H LYS 87 H LYS 87 -3.744 14.127 -0.128 1016 HA LYS 87 HA LYS 87 -5.823 12.175 0.094 1017 HB2 LYS 87 2HB LYS 87 -5.359 14.312 -1.587 1018 HB3 LYS 87 1HB LYS 87 -5.151 12.912 -2.634 1019 HG2 LYS 87 2HG LYS 87 -7.502 13.964 -2.361 1020 HG3 LYS 87 1HG LYS 87 -7.332 12.207 -2.354 1021 HD2 LYS 87 2HD LYS 87 -6.973 12.940 0.302 1022 HD3 LYS 87 1HD LYS 87 -8.275 13.989 -0.262 1023 HE2 LYS 87 2HE LYS 87 -9.588 12.113 -0.948 1024 HE3 LYS 87 1HE LYS 87 -8.246 11.004 -0.680 1025 HZ1 LYS 87 1HZ LYS 87 -8.373 11.478 1.698 1026 HZ2 LYS 87 2HZ LYS 87 -9.851 10.881 1.112 1027 HZ3 LYS 87 3HZ LYS 87 -9.674 12.532 1.428 1028 H GLU 88 H GLU 88 -2.668 12.228 -1.593 1029 HA GLU 88 HA GLU 88 -3.003 9.624 -2.670 1030 HB2 GLU 88 2HB GLU 88 -0.477 11.205 -2.125 1031 HB3 GLU 88 1HB GLU 88 -0.521 9.677 -2.995 1032 HG2 GLU 88 2HG GLU 88 -2.008 10.687 -4.664 1033 HG3 GLU 88 1HG GLU 88 -1.908 12.222 -3.806 1034 H ARG 89 H ARG 89 -1.945 10.891 0.378 1035 HA ARG 89 HA ARG 89 -0.804 8.570 1.490 1036 HB2 ARG 89 2HB ARG 89 -0.702 10.875 2.493 1037 HB3 ARG 89 1HB ARG 89 -2.398 10.720 2.918 1038 HG2 ARG 89 2HG ARG 89 -0.457 8.674 3.886 1039 HG3 ARG 89 1HG ARG 89 -0.533 10.246 4.677 1040 HD2 ARG 89 2HD ARG 89 -2.655 8.136 4.468 1041 HD3 ARG 89 1HD ARG 89 -1.982 8.881 5.915 1042 HE ARG 89 HE ARG 89 -4.026 10.000 4.147 1043 HH11 ARG 89 1HH1 ARG 89 -1.993 10.400 6.979 1044 HH12 ARG 89 2HH1 ARG 89 -2.954 11.696 7.636 1045 HH21 ARG 89 1HH2 ARG 89 -5.259 11.711 5.007 1046 HH22 ARG 89 2HH2 ARG 89 -4.759 12.483 6.492 1047 H ASP 90 H ASP 90 -4.069 9.883 1.509 1048 HA ASP 90 HA ASP 90 -5.337 7.858 2.978 1049 HB2 ASP 90 2HB ASP 90 -6.304 9.880 0.976 1050 HB3 ASP 90 1HB ASP 90 -7.403 8.666 1.617 1051 H ALA 91 H ALA 91 -4.760 8.226 -0.495 1052 HA ALA 91 HA ALA 91 -6.310 6.097 -1.393 1053 HB1 ALA 91 1HB ALA 91 -3.710 7.018 -2.609 1054 HB2 ALA 91 2HB ALA 91 -5.252 7.848 -2.817 1055 HB3 ALA 91 3HB ALA 91 -5.048 6.205 -3.424 1056 H VAL 92 H VAL 92 -2.931 6.144 -0.298 1057 HA VAL 92 HA VAL 92 -2.533 3.344 -0.819 1058 HB VAL 92 HB VAL 92 -0.907 5.296 0.826 1059 HG11 VAL 92 1HG1 VAL 92 -0.516 3.004 1.563 1060 HG12 VAL 92 2HG1 VAL 92 0.892 3.642 0.712 1061 HG13 VAL 92 3HG1 VAL 92 -0.195 2.514 -0.101 1062 HG21 VAL 92 1HG2 VAL 92 -0.507 4.237 -1.965 1063 HG22 VAL 92 2HG2 VAL 92 0.618 5.276 -1.091 1064 HG23 VAL 92 3HG2 VAL 92 -0.981 5.877 -1.526 1065 H LYS 93 H LYS 93 -3.213 5.361 1.943 1066 HA LYS 93 HA LYS 93 -2.939 3.446 3.972 1067 HB2 LYS 93 2HB LYS 93 -2.900 5.593 4.755 1068 HB3 LYS 93 1HB LYS 93 -4.128 6.140 3.634 1069 HG2 LYS 93 2HG LYS 93 -5.848 5.059 5.003 1070 HG3 LYS 93 1HG LYS 93 -4.597 4.568 6.152 1071 HD2 LYS 93 2HD LYS 93 -4.382 6.644 7.004 1072 HD3 LYS 93 1HD LYS 93 -4.606 7.421 5.437 1073 HE2 LYS 93 2HE LYS 93 -6.910 6.094 6.784 1074 HE3 LYS 93 1HE LYS 93 -6.391 7.693 7.311 1075 HZ1 LYS 93 1HZ LYS 93 -7.387 6.892 4.629 1076 HZ2 LYS 93 2HZ LYS 93 -6.591 8.372 4.904 1077 HZ3 LYS 93 3HZ LYS 93 -8.047 8.032 5.694 1078 H ASP 94 H ASP 94 -5.817 4.665 2.300 1079 HA ASP 94 HA ASP 94 -7.623 2.932 3.637 1080 HB2 ASP 94 2HB ASP 94 -7.770 4.813 1.325 1081 HB3 ASP 94 1HB ASP 94 -9.066 3.643 1.536 1082 H LEU 95 H LEU 95 -5.811 2.699 0.658 1083 HA LEU 95 HA LEU 95 -7.229 0.389 -0.304 1084 HB2 LEU 95 2HB LEU 95 -5.975 1.962 -1.794 1085 HB3 LEU 95 1HB LEU 95 -4.481 1.352 -1.112 1086 HG LEU 95 HG LEU 95 -4.871 -0.838 -2.049 1087 HD11 LEU 95 1HD1 LEU 95 -7.288 -0.947 -1.790 1088 HD12 LEU 95 2HD1 LEU 95 -6.819 -1.309 -3.451 1089 HD13 LEU 95 3HD1 LEU 95 -7.489 0.272 -3.048 1090 HD21 LEU 95 1HD2 LEU 95 -3.853 0.896 -3.482 1091 HD22 LEU 95 2HD2 LEU 95 -5.452 1.264 -4.130 1092 HD23 LEU 95 3HD2 LEU 95 -4.734 -0.324 -4.401 1093 H LEU 96 H LEU 96 -4.541 0.998 1.805 1094 HA LEU 96 HA LEU 96 -3.533 -1.655 1.763 1095 HB2 LEU 96 2HB LEU 96 -3.153 0.730 3.487 1096 HB3 LEU 96 1HB LEU 96 -2.722 -0.831 4.162 1097 HG LEU 96 HG LEU 96 -1.637 0.267 1.567 1098 HD11 LEU 96 1HD1 LEU 96 0.448 0.574 2.840 1099 HD12 LEU 96 2HD1 LEU 96 -0.427 0.176 4.319 1100 HD13 LEU 96 3HD1 LEU 96 -0.862 1.616 3.397 1101 HD21 LEU 96 1HD2 LEU 96 -1.659 -2.166 1.658 1102 HD22 LEU 96 2HD2 LEU 96 -0.834 -2.126 3.217 1103 HD23 LEU 96 3HD2 LEU 96 -0.011 -1.548 1.768 1104 H GLN 97 H GLN 97 -5.538 0.056 4.265 1105 HA GLN 97 HA GLN 97 -6.232 -2.183 5.721 1106 HB2 GLN 97 2HB GLN 97 -8.530 -0.828 5.911 1107 HB3 GLN 97 1HB GLN 97 -7.059 -0.313 6.732 1108 HG2 GLN 97 2HG GLN 97 -6.734 0.955 4.423 1109 HG3 GLN 97 1HG GLN 97 -8.493 0.852 4.444 1110 HE21 GLN 97 1HE2 GLN 97 -7.053 0.875 7.484 1111 HE22 GLN 97 2HE2 GLN 97 -7.322 2.540 7.863 1112 H GLN 98 H GLN 98 -7.185 -1.304 2.553 1113 HA GLN 98 HA GLN 98 -9.462 -3.022 2.381 1114 HB2 GLN 98 2HB GLN 98 -7.878 -1.328 0.514 1115 HB3 GLN 98 1HB GLN 98 -8.891 -2.581 -0.180 1116 HG2 GLN 98 2HG GLN 98 -9.618 -0.011 0.796 1117 HG3 GLN 98 1HG GLN 98 -10.607 -1.207 -0.042 1118 HE21 GLN 98 1HE2 GLN 98 -11.763 -2.729 1.162 1119 HE22 GLN 98 2HE2 GLN 98 -12.153 -2.433 2.833 1120 H LEU 99 H LEU 99 -6.146 -3.208 1.053 1121 HA LEU 99 HA LEU 99 -6.642 -5.899 0.109 1122 HB2 LEU 99 2HB LEU 99 -4.192 -4.168 -0.047 1123 HB3 LEU 99 1HB LEU 99 -4.366 -5.735 -0.817 1124 HG LEU 99 HG LEU 99 -6.266 -3.488 -1.382 1125 HD11 LEU 99 1HD1 LEU 99 -4.924 -2.966 -3.366 1126 HD12 LEU 99 2HD1 LEU 99 -3.696 -4.116 -2.834 1127 HD13 LEU 99 3HD1 LEU 99 -4.022 -2.670 -1.880 1128 HD21 LEU 99 1HD2 LEU 99 -5.480 -5.955 -2.914 1129 HD22 LEU 99 2HD2 LEU 99 -6.633 -4.733 -3.451 1130 HD23 LEU 99 3HD2 LEU 99 -6.983 -5.709 -2.024 1131 H LEU 100 H LEU 100 -4.918 -4.400 2.750 1132 HA LEU 100 HA LEU 100 -3.059 -6.319 3.395 1133 HB2 LEU 100 2HB LEU 100 -4.535 -4.314 5.035 1134 HB3 LEU 100 1HB LEU 100 -3.478 -5.471 5.826 1135 HG LEU 100 HG LEU 100 -2.624 -3.582 3.633 1136 HD11 LEU 100 1HD1 LEU 100 -1.388 -2.373 5.384 1137 HD12 LEU 100 2HD1 LEU 100 -2.112 -3.412 6.611 1138 HD13 LEU 100 3HD1 LEU 100 -3.128 -2.323 5.668 1139 HD21 LEU 100 1HD2 LEU 100 -1.018 -5.408 5.402 1140 HD22 LEU 100 2HD2 LEU 100 -0.373 -4.294 4.197 1141 HD23 LEU 100 3HD2 LEU 100 -1.365 -5.663 3.693 1142 HA PRO 101 HA PRO 101 -6.185 -8.619 6.284 1143 HB2 PRO 101 2HB PRO 101 -8.819 -8.134 5.087 1144 HB3 PRO 101 1HB PRO 101 -8.314 -8.033 6.776 1145 HG2 PRO 101 2HG PRO 101 -8.896 -5.844 5.326 1146 HG3 PRO 101 1HG PRO 101 -7.644 -5.841 6.583 1147 HD2 PRO 101 2HD PRO 101 -7.346 -6.017 3.608 1148 HD3 PRO 101 1HD PRO 101 -6.388 -5.091 4.784 1149 H LYS 102 H LYS 102 -7.666 -8.404 3.008 1150 HA LYS 102 HA LYS 102 -8.117 -11.201 2.886 1151 HB2 LYS 102 2HB LYS 102 -8.499 -10.768 0.414 1152 HB3 LYS 102 1HB LYS 102 -9.544 -9.924 1.544 1153 HG2 LYS 102 2HG LYS 102 -8.338 -7.875 1.221 1154 HG3 LYS 102 1HG LYS 102 -7.126 -8.698 0.231 1155 HD2 LYS 102 2HD LYS 102 -8.444 -8.698 -1.598 1156 HD3 LYS 102 1HD LYS 102 -9.899 -9.057 -0.669 1157 HE2 LYS 102 2HE LYS 102 -8.573 -6.354 -0.863 1158 HE3 LYS 102 1HE LYS 102 -9.992 -6.857 -1.778 1159 HZ1 LYS 102 1HZ LYS 102 -10.995 -5.817 -0.037 1160 HZ2 LYS 102 2HZ LYS 102 -9.747 -6.166 1.052 1161 HZ3 LYS 102 3HZ LYS 102 -10.872 -7.367 0.648 1162 H PHE 103 H PHE 103 -5.265 -9.457 2.490 1163 HA PHE 103 HA PHE 103 -4.091 -11.672 0.945 1164 HB2 PHE 103 2HB PHE 103 -3.379 -8.759 1.108 1165 HB3 PHE 103 1HB PHE 103 -2.195 -9.950 0.584 1166 HD1 PHE 103 1HD PHE 103 -3.963 -7.541 -0.749 1167 HD2 PHE 103 2HD PHE 103 -3.764 -11.780 -1.026 1168 HE1 PHE 103 1HE PHE 103 -4.858 -7.430 -3.035 1169 HE2 PHE 103 2HE PHE 103 -4.659 -11.676 -3.314 1170 HZ PHE 103 HZ PHE 103 -5.198 -9.496 -4.321 1171 H LYS 104 H LYS 104 -4.565 -11.103 3.954 1172 HA LYS 104 HA LYS 104 -1.894 -11.024 5.025 1173 HB2 LYS 104 2HB LYS 104 -4.563 -10.729 6.024 1174 HB3 LYS 104 1HB LYS 104 -3.709 -11.922 6.993 1175 HG2 LYS 104 2HG LYS 104 -2.010 -10.379 7.563 1176 HG3 LYS 104 1HG LYS 104 -2.581 -9.211 6.368 1177 HD2 LYS 104 2HD LYS 104 -4.665 -8.952 7.623 1178 HD3 LYS 104 1HD LYS 104 -4.088 -10.116 8.818 1179 HE2 LYS 104 2HE LYS 104 -3.745 -7.874 9.638 1180 HE3 LYS 104 1HE LYS 104 -2.188 -8.633 9.308 1181 HZ1 LYS 104 1HZ LYS 104 -2.137 -7.439 7.179 1182 HZ2 LYS 104 2HZ LYS 104 -2.198 -6.387 8.502 1183 HZ3 LYS 104 3HZ LYS 104 -3.596 -6.662 7.580 1184 H ARG 105 H ARG 105 -0.587 -12.685 5.284 1185 HA ARG 105 HA ARG 105 -1.738 -15.369 5.633 1186 HB2 ARG 105 2HB ARG 105 0.420 -14.503 3.726 1187 HB3 ARG 105 1HB ARG 105 0.404 -16.140 4.360 1188 HG2 ARG 105 2HG ARG 105 -0.708 -16.367 2.354 1189 HG3 ARG 105 1HG ARG 105 -2.036 -16.194 3.501 1190 HD2 ARG 105 2HD ARG 105 -2.586 -14.102 2.763 1191 HD3 ARG 105 1HD ARG 105 -0.941 -13.732 2.249 1192 HE ARG 105 HE ARG 105 -2.487 -15.703 0.733 1193 HH11 ARG 105 1HH1 ARG 105 -1.080 -12.506 0.939 1194 HH12 ARG 105 2HH1 ARG 105 -1.134 -12.226 -0.785 1195 HH21 ARG 105 1HH2 ARG 105 -2.575 -15.321 -1.532 1196 HH22 ARG 105 2HH2 ARG 105 -1.978 -13.817 -2.179 1197 H LYS 106 H LYS 106 -1.348 -15.418 7.821 1198 HA LYS 106 HA LYS 106 1.190 -14.597 8.892 1199 HB2 LYS 106 2HB LYS 106 -0.979 -14.385 10.143 1200 HB3 LYS 106 1HB LYS 106 -0.993 -16.137 10.302 1201 HG2 LYS 106 2HG LYS 106 1.391 -15.759 11.318 1202 HG3 LYS 106 1HG LYS 106 0.780 -14.128 11.601 1203 HD2 LYS 106 2HD LYS 106 -1.084 -15.014 12.872 1204 HD3 LYS 106 1HD LYS 106 -0.571 -16.664 12.519 1205 HE2 LYS 106 2HE LYS 106 0.935 -14.613 14.137 1206 HE3 LYS 106 1HE LYS 106 0.122 -16.051 14.754 1207 HZ1 LYS 106 1HZ LYS 106 1.674 -17.400 13.401 1208 HZ2 LYS 106 2HZ LYS 106 2.451 -16.490 14.596 1209 HZ3 LYS 106 3HZ LYS 106 2.507 -15.984 12.988 1210 H ALA 107 H ALA 107 2.904 -15.809 8.470 1211 HA ALA 107 HA ALA 107 2.712 -18.674 8.200 1212 HB1 ALA 107 1HB ALA 107 5.143 -16.885 8.186 1213 HB2 ALA 107 2HB ALA 107 4.229 -17.387 6.766 1214 HB3 ALA 107 3HB ALA 107 5.102 -18.585 7.721 1215 H ASN 108 H ASN 108 2.717 -19.986 9.870 1216 HA ASN 108 HA ASN 108 3.085 -20.935 11.892 1217 HB2 ASN 108 2HB ASN 108 5.503 -20.571 11.104 1218 HB3 ASN 108 1HB ASN 108 5.524 -19.184 12.187 1219 HD21 ASN 108 1HD2 ASN 108 5.128 -19.575 14.444 1220 HD22 ASN 108 2HD2 ASN 108 5.589 -21.093 15.139 Start of MODEL 12 1 H ARG 390 2HT ARG 390 19.379 11.951 11.648 2 HA ARG 390 HA ARG 390 18.258 13.465 13.932 3 HB2 ARG 390 2HB ARG 390 17.165 13.765 11.702 4 HB3 ARG 390 1HB ARG 390 16.868 12.033 11.658 5 HG2 ARG 390 2HG ARG 390 15.645 12.387 13.884 6 HG3 ARG 390 1HG ARG 390 15.663 14.099 13.457 7 HD2 ARG 390 2HD ARG 390 14.053 13.843 11.924 8 HD3 ARG 390 1HD ARG 390 14.788 12.377 11.273 9 HE ARG 390 HE ARG 390 12.939 12.502 13.563 10 HH11 ARG 390 1HH1 ARG 390 14.484 10.697 10.966 11 HH12 ARG 390 2HH1 ARG 390 13.585 9.235 11.309 12 HH21 ARG 390 1HH2 ARG 390 11.805 10.601 14.006 13 HH22 ARG 390 2HH2 ARG 390 12.126 9.159 13.063 14 H ARG 391 H ARG 391 18.825 10.306 12.443 15 HA ARG 391 HA ARG 391 17.644 9.054 14.824 16 HB2 ARG 391 2HB ARG 391 18.008 8.189 12.009 17 HB3 ARG 391 1HB ARG 391 18.120 6.943 13.247 18 HG2 ARG 391 2HG ARG 391 15.790 8.767 12.700 19 HG3 ARG 391 1HG ARG 391 15.869 7.018 12.468 20 HD2 ARG 391 2HD ARG 391 16.077 6.680 14.859 21 HD3 ARG 391 1HD ARG 391 16.118 8.421 15.128 22 HE ARG 391 HE ARG 391 13.755 7.141 13.918 23 HH11 ARG 391 1HH1 ARG 391 15.195 9.108 16.446 24 HH12 ARG 391 2HH1 ARG 391 13.667 9.544 17.137 25 HH21 ARG 391 1HH2 ARG 391 11.777 7.699 14.827 26 HH22 ARG 391 2HH2 ARG 391 11.705 8.777 16.203 27 H ARG 392 H ARG 392 20.301 10.324 14.754 28 HA ARG 392 HA ARG 392 21.802 8.009 15.736 29 HB2 ARG 392 2HB ARG 392 22.814 10.106 13.820 30 HB3 ARG 392 1HB ARG 392 23.897 9.121 14.793 31 HG2 ARG 392 2HG ARG 392 23.171 7.125 13.725 32 HG3 ARG 392 1HG ARG 392 21.852 7.969 12.914 33 HD2 ARG 392 2HD ARG 392 24.808 8.296 12.432 34 HD3 ARG 392 1HD ARG 392 23.612 7.620 11.326 35 HE ARG 392 HE ARG 392 23.997 10.450 11.986 36 HH11 ARG 392 1HH1 ARG 392 22.178 8.022 10.206 37 HH12 ARG 392 2HH1 ARG 392 21.471 9.187 9.128 38 HH21 ARG 392 1HH2 ARG 392 23.095 11.931 10.547 39 HH22 ARG 392 2HH2 ARG 392 21.987 11.382 9.312 40 H THR 393 H THR 393 22.411 11.503 15.382 41 HA THR 393 HA THR 393 22.184 11.928 18.231 42 HB THR 393 HB THR 393 24.889 12.465 16.993 43 HG1 THR 393 1HG THR 393 23.850 10.140 18.119 44 HG21 THR 393 1HG2 THR 393 24.462 13.860 18.887 45 HG22 THR 393 2HG2 THR 393 25.551 12.577 19.417 46 HG23 THR 393 3HG2 THR 393 23.836 12.501 19.820 47 H GLU 394 H GLU 394 22.838 13.071 15.014 48 HA GLU 394 HA GLU 394 22.886 15.846 15.670 49 HB2 GLU 394 2HB GLU 394 22.820 16.228 13.258 50 HB3 GLU 394 1HB GLU 394 24.011 15.006 13.666 51 HG2 GLU 394 2HG GLU 394 21.251 14.413 12.618 52 HG3 GLU 394 1HG GLU 394 22.702 14.513 11.622 53 H ALA 395 H ALA 395 21.240 17.103 16.135 54 HA ALA 395 HA ALA 395 18.532 16.136 15.832 55 HB1 ALA 395 1HB ALA 395 17.897 18.093 17.127 56 HB2 ALA 395 2HB ALA 395 19.536 18.730 16.997 57 HB3 ALA 395 3HB ALA 395 19.236 17.247 17.902 58 H LEU 396 H LEU 396 20.681 18.041 14.042 59 HA LEU 396 HA LEU 396 18.698 19.719 12.787 60 HB2 LEU 396 2HB LEU 396 21.589 19.226 12.056 61 HB3 LEU 396 1HB LEU 396 20.558 20.453 11.344 62 HG LEU 396 HG LEU 396 20.354 21.134 13.950 63 HD11 LEU 396 1HD1 LEU 396 21.884 19.407 14.709 64 HD12 LEU 396 2HD1 LEU 396 22.582 21.009 14.960 65 HD13 LEU 396 3HD1 LEU 396 23.131 20.008 13.614 66 HD21 LEU 396 1HD2 LEU 396 22.539 21.965 12.045 67 HD22 LEU 396 2HD2 LEU 396 22.015 22.868 13.466 68 HD23 LEU 396 3HD2 LEU 396 20.907 22.630 12.114 69 H GLY 397 H GLY 397 17.542 17.517 12.379 70 HA2 GLY 397 2HA GLY 397 16.673 16.103 10.793 71 HA3 GLY 397 1HA GLY 397 17.482 17.100 9.592 72 H ASP 398 H ASP 398 18.052 15.309 8.339 73 HA ASP 398 HA ASP 398 20.329 13.790 9.420 74 HB2 ASP 398 2HB ASP 398 17.867 12.621 9.004 75 HB3 ASP 398 1HB ASP 398 18.692 12.301 7.483 76 H ALA 399 H ALA 399 21.273 15.670 8.255 77 HA ALA 399 HA ALA 399 22.502 16.522 6.554 78 HB1 ALA 399 1HB ALA 399 23.209 15.066 4.719 79 HB2 ALA 399 2HB ALA 399 22.015 13.863 5.210 80 HB3 ALA 399 3HB ALA 399 23.365 14.251 6.275 81 H GLU 400 H GLU 400 19.491 16.339 6.645 82 HA GLU 400 HA GLU 400 18.736 18.178 4.770 83 HB2 GLU 400 2HB GLU 400 19.315 16.182 3.205 84 HB3 GLU 400 1HB GLU 400 17.836 15.462 3.821 85 HG2 GLU 400 2HG GLU 400 17.082 18.019 3.073 86 HG3 GLU 400 1HG GLU 400 18.206 17.506 1.815 87 H GLU 401 H GLU 401 16.143 17.938 4.471 88 HA GLU 401 HA GLU 401 15.077 17.813 7.088 89 HB2 GLU 401 2HB GLU 401 14.208 18.771 4.620 90 HB3 GLU 401 1HB GLU 401 13.090 17.462 4.980 91 HG2 GLU 401 2HG GLU 401 13.709 19.732 6.857 92 HG3 GLU 401 1HG GLU 401 12.332 19.690 5.758 93 H ASP 402 H ASP 402 14.952 15.963 8.195 94 HA ASP 402 HA ASP 402 14.643 13.477 6.726 95 HB2 ASP 402 2HB ASP 402 16.365 13.779 8.575 96 HB3 ASP 402 1HB ASP 402 15.009 13.681 9.700 97 H GLU 403 H GLU 403 12.994 12.193 6.748 98 HA GLU 403 HA GLU 403 10.445 13.147 7.553 99 HB2 GLU 403 2HB GLU 403 10.991 10.276 6.872 100 HB3 GLU 403 1HB GLU 403 9.580 11.251 6.494 101 HG2 GLU 403 2HG GLU 403 10.575 11.057 4.436 102 HG3 GLU 403 1HG GLU 403 11.237 12.590 5.000 103 H ASP 404 H ASP 404 9.739 13.158 9.601 104 HA ASP 404 HA ASP 404 10.983 11.637 11.641 105 HB2 ASP 404 2HB ASP 404 8.684 12.429 12.823 106 HB3 ASP 404 1HB ASP 404 10.102 13.454 12.667 107 H ASP 405 H ASP 405 10.888 9.565 11.572 108 HA ASP 405 HA ASP 405 8.612 8.095 10.654 109 HB2 ASP 405 2HB ASP 405 10.100 6.155 11.715 110 HB3 ASP 405 1HB ASP 405 10.495 6.886 10.165 111 H GLU 406 H GLU 406 8.117 9.822 12.909 112 HA GLU 406 HA GLU 406 7.216 7.778 14.821 113 HB2 GLU 406 2HB GLU 406 7.360 9.747 16.516 114 HB3 GLU 406 1HB GLU 406 8.810 8.843 16.106 115 HG2 GLU 406 2HG GLU 406 8.623 10.953 14.259 116 HG3 GLU 406 1HG GLU 406 8.281 11.632 15.848 117 H ASP 407 H ASP 407 5.486 8.646 16.284 118 HA ASP 407 HA ASP 407 3.467 9.450 16.684 119 HB2 ASP 407 2HB ASP 407 4.100 11.509 14.631 120 HB3 ASP 407 1HB ASP 407 2.668 11.529 15.651 121 H PHE 408 H PHE 408 4.035 7.597 14.267 122 HA PHE 408 HA PHE 408 1.821 8.096 12.520 123 HB2 PHE 408 2HB PHE 408 3.532 5.622 12.885 124 HB3 PHE 408 1HB PHE 408 2.257 5.756 11.694 125 HD1 PHE 408 1HD PHE 408 2.929 6.185 9.571 126 HD2 PHE 408 2HD PHE 408 5.207 7.756 12.794 127 HE1 PHE 408 1HE PHE 408 4.525 7.149 7.969 128 HE2 PHE 408 2HE PHE 408 6.799 8.727 11.200 129 HZ PHE 408 HZ PHE 408 6.462 8.423 8.790 130 H VAL 409 H VAL 409 -0.139 7.546 12.640 131 HA VAL 409 HA VAL 409 -1.105 6.183 14.999 132 HB VAL 409 HB VAL 409 -3.350 6.949 14.022 133 HG11 VAL 409 1HG1 VAL 409 -2.888 9.229 14.712 134 HG12 VAL 409 2HG1 VAL 409 -1.159 8.905 14.557 135 HG13 VAL 409 3HG1 VAL 409 -2.110 8.058 15.779 136 HG21 VAL 409 1HG2 VAL 409 -1.508 8.462 12.217 137 HG22 VAL 409 2HG2 VAL 409 -3.230 8.778 12.435 138 HG23 VAL 409 3HG2 VAL 409 -2.693 7.257 11.723 139 H GLU 410 H GLU 410 -1.531 4.138 14.998 140 HA GLU 410 HA GLU 410 -1.005 2.490 12.844 141 HB2 GLU 410 2HB GLU 410 -1.128 1.939 15.349 142 HB3 GLU 410 1HB GLU 410 -2.846 1.684 15.079 143 HG2 GLU 410 2HG GLU 410 -2.507 -0.306 14.141 144 HG3 GLU 410 1HG GLU 410 -1.188 0.301 13.139 145 H VAL 411 H VAL 411 -2.024 1.986 11.155 146 HA VAL 411 HA VAL 411 -4.810 2.762 10.803 147 HB VAL 411 HB VAL 411 -2.970 1.764 8.617 148 HG11 VAL 411 1HG1 VAL 411 -5.358 3.613 8.637 149 HG12 VAL 411 2HG1 VAL 411 -5.388 1.914 8.166 150 HG13 VAL 411 3HG1 VAL 411 -4.463 3.076 7.215 151 HG21 VAL 411 1HG2 VAL 411 -2.495 4.091 8.136 152 HG22 VAL 411 2HG2 VAL 411 -1.800 3.521 9.654 153 HG23 VAL 411 3HG2 VAL 411 -3.243 4.535 9.668 154 HA PRO 412 HA PRO 412 -5.768 -1.614 11.303 155 HB2 PRO 412 2HB PRO 412 -8.372 -1.269 11.712 156 HB3 PRO 412 1HB PRO 412 -7.205 -0.713 12.924 157 HG2 PRO 412 2HG PRO 412 -8.568 0.875 10.760 158 HG3 PRO 412 1HG PRO 412 -8.442 1.250 12.490 159 HD2 PRO 412 2HD PRO 412 -6.776 2.313 10.640 160 HD3 PRO 412 1HD PRO 412 -6.259 1.964 12.302 161 H GLU 413 H GLU 413 -7.471 -3.049 10.248 162 HA GLU 413 HA GLU 413 -7.622 -2.417 7.409 163 HB2 GLU 413 2HB GLU 413 -8.545 -4.959 8.748 164 HB3 GLU 413 1HB GLU 413 -8.155 -4.716 7.052 165 HG2 GLU 413 2HG GLU 413 -6.276 -5.789 7.734 166 HG3 GLU 413 1HG GLU 413 -5.787 -4.119 8.029 167 H LYS 414 H LYS 414 -9.653 -2.732 6.217 168 HA LYS 414 HA LYS 414 -11.988 -2.119 7.885 169 HB2 LYS 414 2HB LYS 414 -11.016 -0.820 5.419 170 HB3 LYS 414 1HB LYS 414 -12.758 -0.964 5.638 171 HG2 LYS 414 2HG LYS 414 -12.782 0.696 7.102 172 HG3 LYS 414 1HG LYS 414 -11.498 -0.047 8.055 173 HD2 LYS 414 2HD LYS 414 -10.497 1.920 7.429 174 HD3 LYS 414 1HD LYS 414 -9.969 0.842 6.136 175 HE2 LYS 414 2HE LYS 414 -11.250 1.855 4.573 176 HE3 LYS 414 1HE LYS 414 -12.522 2.274 5.721 177 HZ1 LYS 414 1HZ LYS 414 -9.895 3.607 5.845 178 HZ2 LYS 414 2HZ LYS 414 -11.396 4.162 6.396 179 HZ3 LYS 414 3HZ LYS 414 -11.058 4.137 4.736 180 H GLU 415 H GLU 415 -10.816 -3.795 5.059 181 HA GLU 415 HA GLU 415 -11.564 -5.597 3.930 182 HB2 GLU 415 2HB GLU 415 -13.217 -5.802 6.410 183 HB3 GLU 415 1HB GLU 415 -13.590 -6.849 5.050 184 HG2 GLU 415 2HG GLU 415 -12.058 -8.243 5.818 185 HG3 GLU 415 1HG GLU 415 -10.841 -7.056 5.353 186 H GLY 416 H GLY 416 -14.550 -4.129 5.224 187 HA2 GLY 416 2HA GLY 416 -15.587 -4.171 2.457 188 HA3 GLY 416 1HA GLY 416 -16.591 -4.291 3.893 189 H TYR 417 H TYR 417 -14.356 -2.103 2.228 190 HA TYR 417 HA TYR 417 -16.163 0.103 2.892 191 HB2 TYR 417 2HB TYR 417 -14.664 0.780 4.449 192 HB3 TYR 417 1HB TYR 417 -13.374 -0.212 3.780 193 HD1 TYR 417 1HD TYR 417 -11.708 0.729 2.405 194 HD2 TYR 417 2HD TYR 417 -15.137 3.035 3.413 195 HE1 TYR 417 1HE TYR 417 -10.623 2.723 1.482 196 HE2 TYR 417 2HE TYR 417 -14.061 5.040 2.484 197 HH TYR 417 HH TYR 417 -11.155 5.555 2.104 198 H GLU 418 H GLU 418 -13.318 -0.898 1.050 199 HA GLU 418 HA GLU 418 -12.633 -0.582 -1.055 200 HB2 GLU 418 2HB GLU 418 -15.490 0.273 -1.482 201 HB3 GLU 418 1HB GLU 418 -14.310 0.142 -2.784 202 HG2 GLU 418 2HG GLU 418 -15.607 -1.991 -1.178 203 HG3 GLU 418 1HG GLU 418 -15.276 -1.921 -2.909 204 HA PRO 419 HA PRO 419 -10.732 3.337 -0.676 205 HB2 PRO 419 2HB PRO 419 -9.783 3.407 -3.297 206 HB3 PRO 419 1HB PRO 419 -8.962 2.673 -1.916 207 HG2 PRO 419 2HG PRO 419 -10.663 1.394 -4.011 208 HG3 PRO 419 1HG PRO 419 -9.180 0.792 -3.246 209 HD2 PRO 419 2HD PRO 419 -11.560 -0.160 -2.527 210 HD3 PRO 419 1HD PRO 419 -10.302 0.140 -1.308 211 H HIS 420 H HIS 420 -11.671 5.232 -0.705 212 HA HIS 420 HA HIS 420 -13.566 5.880 -2.839 213 HB2 HIS 420 2HB HIS 420 -13.404 6.490 -0.032 214 HB3 HIS 420 1HB HIS 420 -13.471 7.978 -0.971 215 HD1 HIS 420 1HD HIS 420 -15.463 4.753 -0.544 216 HD2 HIS 420 2HD HIS 420 -15.906 8.674 -1.865 217 HE1 HIS 420 1HE HIS 420 -17.930 5.074 -1.003 218 H ILE 421 H ILE 421 -13.624 8.379 -3.126 219 HA ILE 421 HA ILE 421 -11.061 9.596 -3.337 220 HB ILE 421 HB ILE 421 -10.583 8.734 -5.346 221 HG12 ILE 421 2HG1 ILE 421 -11.681 10.012 -7.272 222 HG13 ILE 421 1HG1 ILE 421 -12.585 10.861 -6.021 223 HG21 ILE 421 1HG2 ILE 421 -13.504 8.294 -5.923 224 HG22 ILE 421 2HG2 ILE 421 -12.370 7.095 -5.303 225 HG23 ILE 421 3HG2 ILE 421 -12.157 7.753 -6.926 226 HD11 ILE 421 1HD1 ILE 421 -10.493 11.593 -5.009 227 HD12 ILE 421 2HD1 ILE 421 -10.633 12.125 -6.685 228 HD13 ILE 421 3HD1 ILE 421 -9.593 10.759 -6.275 229 HA PRO 422 HA PRO 422 -14.518 12.745 -4.529 230 HB2 PRO 422 2HB PRO 422 -17.096 12.002 -4.209 231 HB3 PRO 422 1HB PRO 422 -16.210 11.750 -5.718 232 HG2 PRO 422 2HG PRO 422 -16.780 9.812 -3.510 233 HG3 PRO 422 1HG PRO 422 -16.877 9.570 -5.264 234 HD2 PRO 422 2HD PRO 422 -14.756 8.739 -3.779 235 HD3 PRO 422 1HD PRO 422 -14.601 9.250 -5.470 236 H ASP 423 H ASP 423 -13.703 11.333 -1.847 237 HA ASP 423 HA ASP 423 -15.665 12.268 0.032 238 HB2 ASP 423 2HB ASP 423 -14.261 11.422 1.721 239 HB3 ASP 423 1HB ASP 423 -13.987 10.334 0.362 240 H HIS 424 H HIS 424 -13.287 13.750 -1.789 241 HA HIS 424 HA HIS 424 -12.373 15.712 0.050 242 HB2 HIS 424 2HB HIS 424 -11.532 16.893 -1.964 243 HB3 HIS 424 1HB HIS 424 -11.052 15.202 -1.916 244 HD1 HIS 424 1HD HIS 424 -11.961 13.661 -3.801 245 HD2 HIS 424 2HD HIS 424 -13.339 17.583 -3.987 246 HE1 HIS 424 1HE HIS 424 -13.055 13.929 -6.065 247 H LEU 425 H LEU 425 -15.308 15.283 -1.566 248 HA LEU 425 HA LEU 425 -16.015 18.080 -1.705 249 HB2 LEU 425 2HB LEU 425 -17.650 15.571 -2.105 250 HB3 LEU 425 1HB LEU 425 -18.263 17.197 -2.339 251 HG LEU 425 HG LEU 425 -15.981 15.993 -3.911 252 HD11 LEU 425 1HD1 LEU 425 -17.589 15.856 -5.755 253 HD12 LEU 425 2HD1 LEU 425 -18.876 16.370 -4.664 254 HD13 LEU 425 3HD1 LEU 425 -18.057 14.831 -4.399 255 HD21 LEU 425 1HD2 LEU 425 -15.851 18.408 -3.775 256 HD22 LEU 425 2HD2 LEU 425 -17.543 18.552 -4.252 257 HD23 LEU 425 3HD2 LEU 425 -16.355 17.923 -5.394 258 H ARG 426 H ARG 426 -15.331 18.108 0.681 259 HA ARG 426 HA ARG 426 -17.759 17.820 2.312 260 HB2 ARG 426 2HB ARG 426 -14.980 16.865 2.930 261 HB3 ARG 426 1HB ARG 426 -16.057 17.344 4.234 262 HG2 ARG 426 2HG ARG 426 -17.698 15.680 3.452 263 HG3 ARG 426 1HG ARG 426 -16.551 15.171 2.210 264 HD2 ARG 426 2HD ARG 426 -15.877 15.177 5.141 265 HD3 ARG 426 1HD ARG 426 -16.611 13.789 4.339 266 HE ARG 426 HE ARG 426 -14.592 13.897 2.818 267 HH11 ARG 426 1HH1 ARG 426 -14.451 15.129 6.098 268 HH12 ARG 426 2HH1 ARG 426 -12.784 14.701 6.317 269 HH21 ARG 426 1HH2 ARG 426 -12.397 13.321 3.095 270 HH22 ARG 426 2HH2 ARG 426 -11.611 13.679 4.605 271 HA PRO 427 HA PRO 427 -16.794 22.023 3.342 272 HB2 PRO 427 2HB PRO 427 -18.543 21.812 5.650 273 HB3 PRO 427 1HB PRO 427 -18.821 22.662 4.129 274 HG2 PRO 427 2HG PRO 427 -20.207 20.440 4.868 275 HG3 PRO 427 1HG PRO 427 -19.898 20.878 3.178 276 HD2 PRO 427 2HD PRO 427 -18.485 18.879 4.907 277 HD3 PRO 427 1HD PRO 427 -18.973 18.750 3.202 278 H GLU 428 H GLU 428 -16.472 23.307 5.538 279 HA GLU 428 HA GLU 428 -14.257 21.972 6.870 280 HB2 GLU 428 2HB GLU 428 -14.713 24.577 6.052 281 HB3 GLU 428 1HB GLU 428 -14.973 24.660 7.788 282 HG2 GLU 428 2HG GLU 428 -12.528 23.353 6.667 283 HG3 GLU 428 1HG GLU 428 -12.619 25.104 6.853 284 H TYR 429 H TYR 429 -14.103 22.143 9.269 285 HA TYR 429 HA TYR 429 -16.787 21.867 10.450 286 HB2 TYR 429 2HB TYR 429 -14.375 20.370 11.463 287 HB3 TYR 429 1HB TYR 429 -16.078 20.038 11.768 288 HD1 TYR 429 1HD TYR 429 -17.499 19.388 9.670 289 HD2 TYR 429 2HD TYR 429 -13.254 19.153 9.834 290 HE1 TYR 429 1HE TYR 429 -17.518 17.805 7.789 291 HE2 TYR 429 2HE TYR 429 -13.263 17.568 7.956 292 HH TYR 429 HH TYR 429 -15.698 17.180 5.909 293 H GLY 430 H GLY 430 -13.740 23.400 10.581 294 HA2 GLY 430 2HA GLY 430 -14.091 24.225 13.370 295 HA3 GLY 430 1HA GLY 430 -12.691 24.548 12.357 296 H LEU 431 H LEU 431 -13.448 25.867 10.271 297 HA LEU 431 HA LEU 431 -14.259 28.410 11.290 298 HB2 LEU 431 2HB LEU 431 -13.830 27.469 8.455 299 HB3 LEU 431 1HB LEU 431 -14.083 29.139 8.924 300 HG LEU 431 HG LEU 431 -11.756 27.437 9.821 301 HD11 LEU 431 1HD1 LEU 431 -11.878 29.619 7.743 302 HD12 LEU 431 2HD1 LEU 431 -11.672 27.896 7.424 303 HD13 LEU 431 3HD1 LEU 431 -10.423 28.788 8.293 304 HD21 LEU 431 1HD2 LEU 431 -12.301 29.155 11.433 305 HD22 LEU 431 2HD2 LEU 431 -12.358 30.374 10.161 306 HD23 LEU 431 3HD2 LEU 431 -10.828 29.598 10.570 307 H GLU 432 H GLU 432 -15.896 25.812 9.656 308 HA GLU 432 HA GLU 432 -18.271 27.477 9.261 309 HB2 GLU 432 2HB GLU 432 -17.593 24.698 8.290 310 HB3 GLU 432 1HB GLU 432 -19.147 25.476 8.021 311 HG2 GLU 432 2HG GLU 432 -17.899 27.329 6.870 312 HG3 GLU 432 1HG GLU 432 -16.462 26.312 6.962 313 H ALA 433 H ALA 433 -17.399 26.679 11.911 314 HA ALA 433 HA ALA 433 -19.376 24.694 12.732 315 HB1 ALA 433 1HB ALA 433 -18.310 24.823 14.929 316 HB2 ALA 433 2HB ALA 433 -17.266 26.121 14.350 317 HB3 ALA 433 3HB ALA 433 -17.126 24.504 13.662 318 H ALA 434 H ALA 434 -21.355 25.362 13.174 319 HA ALA 434 HA ALA 434 -21.803 27.635 14.894 320 HB1 ALA 434 1HB ALA 434 -22.866 27.585 12.067 321 HB2 ALA 434 2HB ALA 434 -21.771 28.776 12.770 322 HB3 ALA 434 3HB ALA 434 -23.440 28.675 13.331 323 H MET 1 2HT MET 1 0.761 -8.243 -13.238 324 HA MET 1 HA MET 1 1.415 -9.612 -15.037 325 HB2 MET 1 2HB MET 1 3.256 -7.910 -15.678 326 HB3 MET 1 1HB MET 1 4.279 -8.812 -14.569 327 HG2 MET 1 2HG MET 1 3.983 -10.824 -15.874 328 HG3 MET 1 1HG MET 1 2.862 -9.989 -16.950 329 HE1 MET 1 1HE MET 1 5.456 -11.638 -17.913 330 HE2 MET 1 2HE MET 1 6.052 -10.565 -19.177 331 HE3 MET 1 3HE MET 1 4.321 -10.860 -19.015 332 H ALA 2 H ALA 2 1.528 -9.380 -11.934 333 HA ALA 2 HA ALA 2 1.903 -10.722 -10.147 334 HB1 ALA 2 1HB ALA 2 0.622 -12.286 -11.612 335 HB2 ALA 2 2HB ALA 2 1.695 -13.082 -10.461 336 HB3 ALA 2 3HB ALA 2 2.162 -12.952 -12.158 337 H THR 3 H THR 3 3.532 -13.123 -10.043 338 HA THR 3 HA THR 3 5.668 -13.826 -9.721 339 HB THR 3 HB THR 3 6.453 -11.572 -11.580 340 HG1 THR 3 1HG THR 3 5.276 -12.883 -12.836 341 HG21 THR 3 1HG2 THR 3 8.295 -12.490 -10.176 342 HG22 THR 3 2HG2 THR 3 8.520 -12.753 -11.904 343 HG23 THR 3 3HG2 THR 3 7.978 -14.077 -10.874 344 H SER 4 H SER 4 6.486 -10.431 -10.169 345 HA SER 4 HA SER 4 6.695 -9.999 -7.301 346 HB2 SER 4 2HB SER 4 9.051 -9.546 -9.155 347 HB3 SER 4 1HB SER 4 9.007 -9.250 -7.416 348 HG SER 4 HG SER 4 8.249 -11.760 -7.846 349 H SER 5 H SER 5 5.432 -9.123 -10.013 350 HA SER 5 HA SER 5 5.251 -6.337 -9.300 351 HB2 SER 5 2HB SER 5 6.126 -7.125 -12.090 352 HB3 SER 5 1HB SER 5 5.847 -5.487 -11.501 353 HG SER 5 HG SER 5 7.552 -6.492 -9.830 354 H GLU 6 H GLU 6 3.128 -7.139 -8.785 355 HA GLU 6 HA GLU 6 1.459 -8.190 -10.864 356 HB2 GLU 6 2HB GLU 6 0.779 -7.139 -8.112 357 HB3 GLU 6 1HB GLU 6 -0.381 -7.886 -9.201 358 HG2 GLU 6 2HG GLU 6 0.261 -9.562 -7.687 359 HG3 GLU 6 1HG GLU 6 1.109 -9.923 -9.191 360 H GLU 7 H GLU 7 -0.804 -7.022 -11.021 361 HA GLU 7 HA GLU 7 -0.378 -4.725 -12.553 362 HB2 GLU 7 2HB GLU 7 -2.838 -6.007 -11.395 363 HB3 GLU 7 1HB GLU 7 -2.942 -4.504 -12.299 364 HG2 GLU 7 2HG GLU 7 -3.228 -6.893 -13.434 365 HG3 GLU 7 1HG GLU 7 -2.556 -5.505 -14.286 366 H VAL 8 H VAL 8 -0.437 -2.609 -12.127 367 HA VAL 8 HA VAL 8 -0.275 -1.793 -9.366 368 HB VAL 8 HB VAL 8 -0.200 0.001 -11.796 369 HG11 VAL 8 1HG1 VAL 8 -0.478 1.142 -9.666 370 HG12 VAL 8 2HG1 VAL 8 1.123 1.458 -10.335 371 HG13 VAL 8 3HG1 VAL 8 0.930 0.304 -9.016 372 HG21 VAL 8 1HG2 VAL 8 1.451 -1.755 -12.105 373 HG22 VAL 8 2HG2 VAL 8 2.089 -1.468 -10.486 374 HG23 VAL 8 3HG2 VAL 8 2.248 -0.228 -11.729 375 H LEU 9 H LEU 9 -2.012 -1.275 -8.232 376 HA LEU 9 HA LEU 9 -4.476 -0.527 -9.612 377 HB2 LEU 9 2HB LEU 9 -4.124 -0.992 -6.659 378 HB3 LEU 9 1HB LEU 9 -5.616 -0.998 -7.575 379 HG LEU 9 HG LEU 9 -3.434 -3.076 -7.758 380 HD11 LEU 9 1HD1 LEU 9 -4.691 -3.130 -5.653 381 HD12 LEU 9 2HD1 LEU 9 -5.027 -4.539 -6.658 382 HD13 LEU 9 3HD1 LEU 9 -6.198 -3.223 -6.564 383 HD21 LEU 9 1HD2 LEU 9 -5.011 -4.321 -9.142 384 HD22 LEU 9 2HD2 LEU 9 -4.595 -2.777 -9.887 385 HD23 LEU 9 3HD2 LEU 9 -6.148 -2.973 -9.073 386 H LEU 10 H LEU 10 -2.043 0.765 -7.447 387 HA LEU 10 HA LEU 10 -3.397 3.375 -7.643 388 HB2 LEU 10 2HB LEU 10 -3.686 2.132 -5.410 389 HB3 LEU 10 1HB LEU 10 -1.998 2.531 -5.128 390 HG LEU 10 HG LEU 10 -2.633 4.953 -5.503 391 HD11 LEU 10 1HD1 LEU 10 -4.761 4.537 -6.656 392 HD12 LEU 10 2HD1 LEU 10 -4.962 5.568 -5.238 393 HD13 LEU 10 3HD1 LEU 10 -5.425 3.867 -5.165 394 HD21 LEU 10 1HD2 LEU 10 -3.500 5.215 -3.242 395 HD22 LEU 10 2HD2 LEU 10 -2.224 3.997 -3.292 396 HD23 LEU 10 3HD2 LEU 10 -3.915 3.501 -3.194 397 H ILE 11 H ILE 11 -2.110 5.138 -7.862 398 HA ILE 11 HA ILE 11 0.797 4.692 -7.893 399 HB ILE 11 HB ILE 11 -0.810 6.263 -9.917 400 HG12 ILE 11 2HG1 ILE 11 0.924 3.805 -10.258 401 HG13 ILE 11 1HG1 ILE 11 -0.834 3.797 -10.210 402 HG21 ILE 11 1HG2 ILE 11 2.178 5.902 -9.723 403 HG22 ILE 11 2HG2 ILE 11 1.294 7.387 -9.365 404 HG23 ILE 11 3HG2 ILE 11 1.313 6.744 -11.008 405 HD11 ILE 11 1HD1 ILE 11 0.872 5.163 -12.276 406 HD12 ILE 11 2HD1 ILE 11 -0.891 5.165 -12.230 407 HD13 ILE 11 3HD1 ILE 11 -0.017 3.654 -12.485 408 H VAL 12 H VAL 12 1.801 5.991 -6.544 409 HA VAL 12 HA VAL 12 0.575 8.583 -5.804 410 HB VAL 12 HB VAL 12 2.642 7.159 -4.149 411 HG11 VAL 12 1HG1 VAL 12 1.634 8.427 -2.336 412 HG12 VAL 12 2HG1 VAL 12 0.425 9.075 -3.444 413 HG13 VAL 12 3HG1 VAL 12 2.125 9.496 -3.650 414 HG21 VAL 12 1HG2 VAL 12 0.919 6.051 -2.878 415 HG22 VAL 12 2HG2 VAL 12 0.791 5.572 -4.572 416 HG23 VAL 12 3HG2 VAL 12 -0.335 6.753 -3.900 417 H LYS 13 H LYS 13 1.971 10.419 -5.707 418 HA LYS 13 HA LYS 13 4.564 9.963 -7.042 419 HB2 LYS 13 2HB LYS 13 2.635 12.255 -7.347 420 HB3 LYS 13 1HB LYS 13 4.295 12.317 -7.924 421 HG2 LYS 13 2HG LYS 13 2.137 10.419 -8.822 422 HG3 LYS 13 1HG LYS 13 2.852 11.740 -9.749 423 HD2 LYS 13 2HD LYS 13 4.949 10.622 -9.882 424 HD3 LYS 13 1HD LYS 13 4.451 9.413 -8.697 425 HE2 LYS 13 2HE LYS 13 2.678 8.694 -10.317 426 HE3 LYS 13 1HE LYS 13 3.416 9.769 -11.504 427 HZ1 LYS 13 1HZ LYS 13 4.178 7.474 -11.739 428 HZ2 LYS 13 2HZ LYS 13 4.790 7.497 -10.165 429 HZ3 LYS 13 3HZ LYS 13 5.458 8.506 -11.347 430 H LYS 14 H LYS 14 6.237 11.494 -6.603 431 HA LYS 14 HA LYS 14 7.749 12.301 -5.138 432 HB2 LYS 14 2HB LYS 14 5.352 14.002 -5.029 433 HB3 LYS 14 1HB LYS 14 6.572 14.300 -3.795 434 HG2 LYS 14 2HG LYS 14 7.933 14.057 -6.250 435 HG3 LYS 14 1HG LYS 14 6.536 15.095 -6.541 436 HD2 LYS 14 2HD LYS 14 8.350 15.521 -4.188 437 HD3 LYS 14 1HD LYS 14 8.721 16.201 -5.774 438 HE2 LYS 14 2HE LYS 14 6.947 17.655 -5.714 439 HE3 LYS 14 1HE LYS 14 6.005 16.630 -4.633 440 HZ1 LYS 14 1HZ LYS 14 7.413 17.259 -2.811 441 HZ2 LYS 14 2HZ LYS 14 6.814 18.661 -3.551 442 HZ3 LYS 14 3HZ LYS 14 8.412 18.170 -3.829 443 H VAL 15 H VAL 15 7.417 10.116 -4.074 444 HA VAL 15 HA VAL 15 6.619 10.512 -1.263 445 HB VAL 15 HB VAL 15 6.611 7.964 -2.899 446 HG11 VAL 15 1HG1 VAL 15 5.956 8.357 0.021 447 HG12 VAL 15 2HG1 VAL 15 7.364 7.511 -0.620 448 HG13 VAL 15 3HG1 VAL 15 5.746 6.863 -0.892 449 HG21 VAL 15 1HG2 VAL 15 4.712 9.347 -3.378 450 HG22 VAL 15 2HG2 VAL 15 4.412 9.606 -1.661 451 HG23 VAL 15 3HG2 VAL 15 4.185 8.004 -2.364 452 H ARG 16 H ARG 16 8.210 10.392 0.169 453 HA ARG 16 HA ARG 16 10.831 9.463 -0.770 454 HB2 ARG 16 2HB ARG 16 10.013 11.360 1.421 455 HB3 ARG 16 1HB ARG 16 11.658 10.759 1.246 456 HG2 ARG 16 2HG ARG 16 11.860 11.770 -0.913 457 HG3 ARG 16 1HG ARG 16 10.160 12.244 -0.894 458 HD2 ARG 16 2HD ARG 16 10.515 13.968 0.542 459 HD3 ARG 16 1HD ARG 16 11.848 13.154 1.361 460 HE ARG 16 HE ARG 16 12.186 14.229 -1.365 461 HH11 ARG 16 1HH1 ARG 16 13.089 14.129 2.023 462 HH12 ARG 16 2HH1 ARG 16 14.528 15.087 1.813 463 HH21 ARG 16 1HH2 ARG 16 14.084 15.487 -1.638 464 HH22 ARG 16 2HH2 ARG 16 15.091 15.860 -0.260 465 H GLN 17 H GLN 17 11.912 7.882 0.182 466 HA GLN 17 HA GLN 17 10.761 6.662 2.606 467 HB2 GLN 17 2HB GLN 17 10.823 5.435 0.222 468 HB3 GLN 17 1HB GLN 17 12.461 5.067 0.739 469 HG2 GLN 17 2HG GLN 17 10.035 4.450 2.400 470 HG3 GLN 17 1HG GLN 17 10.722 3.324 1.234 471 HE21 GLN 17 1HE2 GLN 17 13.463 4.042 1.763 472 HE22 GLN 17 2HE2 GLN 17 13.856 3.381 3.310 473 H LYS 18 H LYS 18 12.038 7.464 4.168 474 HA LYS 18 HA LYS 18 13.859 8.198 5.289 475 HB2 LYS 18 2HB LYS 18 14.185 5.362 4.630 476 HB3 LYS 18 1HB LYS 18 15.601 6.162 5.312 477 HG2 LYS 18 2HG LYS 18 13.006 6.641 6.655 478 HG3 LYS 18 1HG LYS 18 13.699 5.027 6.806 479 HD2 LYS 18 2HD LYS 18 14.373 6.466 8.667 480 HD3 LYS 18 1HD LYS 18 15.761 5.980 7.697 481 HE2 LYS 18 2HE LYS 18 16.068 8.271 8.185 482 HE3 LYS 18 1HE LYS 18 15.555 8.195 6.503 483 HZ1 LYS 18 1HZ LYS 18 13.500 9.084 6.996 484 HZ2 LYS 18 2HZ LYS 18 14.504 9.922 8.076 485 HZ3 LYS 18 3HZ LYS 18 13.559 8.627 8.632 486 H LYS 19 H LYS 19 14.295 9.808 3.580 487 HA LYS 19 HA LYS 19 15.827 11.150 2.618 488 HB2 LYS 19 2HB LYS 19 17.457 9.014 3.769 489 HB3 LYS 19 1HB LYS 19 18.253 9.989 2.536 490 HG2 LYS 19 2HG LYS 19 16.974 10.979 5.083 491 HG3 LYS 19 1HG LYS 19 18.705 10.853 4.759 492 HD2 LYS 19 2HD LYS 19 18.737 12.736 3.517 493 HD3 LYS 19 1HD LYS 19 17.167 12.400 2.785 494 HE2 LYS 19 2HE LYS 19 17.699 13.552 5.520 495 HE3 LYS 19 1HE LYS 19 16.987 14.380 4.135 496 HZ1 LYS 19 1HZ LYS 19 15.154 13.810 5.373 497 HZ2 LYS 19 2HZ LYS 19 15.791 12.320 5.875 498 HZ3 LYS 19 3HZ LYS 19 15.226 12.512 4.290 499 H GLN 20 H GLN 20 14.354 9.002 1.129 500 HA GLN 20 HA GLN 20 15.931 9.237 -1.334 501 HB2 GLN 20 2HB GLN 20 14.595 6.739 -0.283 502 HB3 GLN 20 1HB GLN 20 15.085 6.928 -1.961 503 HG2 GLN 20 2HG GLN 20 17.311 6.784 -1.474 504 HG3 GLN 20 1HG GLN 20 17.105 7.397 0.166 505 HE21 GLN 20 1HE2 GLN 20 16.517 5.994 1.804 506 HE22 GLN 20 2HE2 GLN 20 16.608 4.278 1.622 507 H ASP 21 H ASP 21 14.744 10.345 -2.763 508 HA ASP 21 HA ASP 21 11.865 10.549 -2.412 509 HB2 ASP 21 2HB ASP 21 13.730 12.371 -3.202 510 HB3 ASP 21 1HB ASP 21 13.106 11.842 -4.761 511 H GLY 22 H GLY 22 10.339 10.080 -4.108 512 HA2 GLY 22 2HA GLY 22 10.943 8.972 -6.580 513 HA3 GLY 22 1HA GLY 22 10.906 7.633 -5.445 514 H ALA 23 H ALA 23 9.151 6.703 -6.466 515 HA ALA 23 HA ALA 23 6.575 8.006 -5.876 516 HB1 ALA 23 1HB ALA 23 6.971 8.311 -8.245 517 HB2 ALA 23 2HB ALA 23 5.663 7.153 -7.994 518 HB3 ALA 23 3HB ALA 23 7.273 6.583 -8.439 519 H LEU 24 H LEU 24 4.911 6.686 -5.276 520 HA LEU 24 HA LEU 24 5.704 3.943 -4.573 521 HB2 LEU 24 2HB LEU 24 5.081 5.460 -2.709 522 HB3 LEU 24 1HB LEU 24 3.482 5.621 -3.415 523 HG LEU 24 HG LEU 24 3.421 3.027 -3.222 524 HD11 LEU 24 1HD1 LEU 24 4.676 2.144 -1.343 525 HD12 LEU 24 2HD1 LEU 24 5.481 3.699 -1.135 526 HD13 LEU 24 3HD1 LEU 24 5.757 2.749 -2.597 527 HD21 LEU 24 1HD2 LEU 24 1.955 4.555 -2.006 528 HD22 LEU 24 2HD2 LEU 24 3.213 4.804 -0.795 529 HD23 LEU 24 3HD2 LEU 24 2.469 3.216 -0.980 530 H TYR 25 H TYR 25 4.548 2.241 -5.244 531 HA TYR 25 HA TYR 25 2.115 2.749 -6.823 532 HB2 TYR 25 2HB TYR 25 4.340 0.828 -7.539 533 HB3 TYR 25 1HB TYR 25 2.829 1.014 -8.420 534 HD1 TYR 25 1HD TYR 25 6.127 2.424 -7.772 535 HD2 TYR 25 2HD TYR 25 2.411 3.037 -9.752 536 HE1 TYR 25 1HE TYR 25 7.155 4.188 -9.142 537 HE2 TYR 25 2HE TYR 25 3.430 4.800 -11.129 538 HH TYR 25 HH TYR 25 6.771 5.279 -11.328 539 H LEU 26 H LEU 26 0.436 1.706 -5.996 540 HA LEU 26 HA LEU 26 0.874 -0.551 -4.204 541 HB2 LEU 26 2HB LEU 26 -1.659 0.906 -4.952 542 HB3 LEU 26 1HB LEU 26 -1.581 -0.434 -3.827 543 HG LEU 26 HG LEU 26 -0.725 2.384 -3.475 544 HD11 LEU 26 1HD1 LEU 26 -2.839 1.660 -2.558 545 HD12 LEU 26 2HD1 LEU 26 -1.707 2.002 -1.249 546 HD13 LEU 26 3HD1 LEU 26 -2.045 0.334 -1.709 547 HD21 LEU 26 1HD2 LEU 26 0.475 0.113 -1.922 548 HD22 LEU 26 2HD2 LEU 26 0.723 1.837 -1.636 549 HD23 LEU 26 3HD2 LEU 26 1.326 1.092 -3.117 550 H MET 27 H MET 27 0.546 -2.628 -4.797 551 HA MET 27 HA MET 27 -0.661 -3.053 -7.449 552 HB2 MET 27 2HB MET 27 1.142 -5.098 -6.265 553 HB3 MET 27 1HB MET 27 0.887 -4.644 -7.946 554 HG2 MET 27 2HG MET 27 2.097 -2.494 -7.413 555 HG3 MET 27 1HG MET 27 2.561 -3.249 -5.890 556 HE1 MET 27 1HE MET 27 3.977 -2.173 -8.859 557 HE2 MET 27 2HE MET 27 2.893 -3.243 -9.747 558 HE3 MET 27 3HE MET 27 4.635 -3.522 -9.786 559 H ALA 28 H ALA 28 -1.697 -5.134 -7.734 560 HA ALA 28 HA ALA 28 -3.804 -5.550 -6.046 561 HB1 ALA 28 1HB ALA 28 -3.677 -6.334 -8.355 562 HB2 ALA 28 2HB ALA 28 -4.216 -7.603 -7.255 563 HB3 ALA 28 3HB ALA 28 -2.559 -7.604 -7.858 564 H GLU 29 H GLU 29 -0.674 -7.252 -5.909 565 HA GLU 29 HA GLU 29 -1.671 -8.605 -3.489 566 HB2 GLU 29 2HB GLU 29 0.666 -9.606 -5.085 567 HB3 GLU 29 1HB GLU 29 -0.355 -10.485 -3.960 568 HG2 GLU 29 2HG GLU 29 -1.138 -9.528 -6.705 569 HG3 GLU 29 1HG GLU 29 -0.772 -11.186 -6.237 570 H ARG 30 H ARG 30 0.371 -6.106 -4.366 571 HA ARG 30 HA ARG 30 1.727 -6.255 -1.832 572 HB2 ARG 30 2HB ARG 30 3.925 -6.615 -2.495 573 HB3 ARG 30 1HB ARG 30 3.026 -7.761 -3.477 574 HG2 ARG 30 2HG ARG 30 3.125 -6.171 -5.369 575 HG3 ARG 30 1HG ARG 30 4.109 -5.092 -4.375 576 HD2 ARG 30 2HD ARG 30 5.627 -6.321 -5.705 577 HD3 ARG 30 1HD ARG 30 5.711 -7.030 -4.091 578 HE ARG 30 HE ARG 30 3.977 -8.237 -6.143 579 HH11 ARG 30 1HH1 ARG 30 6.766 -8.457 -4.023 580 HH12 ARG 30 2HH1 ARG 30 6.948 -10.167 -4.235 581 HH21 ARG 30 1HH2 ARG 30 4.219 -10.459 -6.455 582 HH22 ARG 30 2HH2 ARG 30 5.497 -11.316 -5.637 583 H ILE 31 H ILE 31 3.386 -4.484 -1.610 584 HA ILE 31 HA ILE 31 2.557 -2.098 -3.129 585 HB ILE 31 HB ILE 31 1.704 -1.754 -0.939 586 HG12 ILE 31 2HG1 ILE 31 4.420 -0.420 -0.969 587 HG13 ILE 31 1HG1 ILE 31 3.017 0.147 -1.867 588 HG21 ILE 31 1HG2 ILE 31 2.832 -3.569 0.199 589 HG22 ILE 31 2HG2 ILE 31 3.025 -2.069 1.105 590 HG23 ILE 31 3HG2 ILE 31 4.359 -2.691 0.135 591 HD11 ILE 31 1HD1 ILE 31 3.314 1.428 0.161 592 HD12 ILE 31 2HD1 ILE 31 3.252 -0.046 1.127 593 HD13 ILE 31 3HD1 ILE 31 1.823 0.491 0.243 594 H ALA 32 H ALA 32 4.193 -1.044 -4.130 595 HA ALA 32 HA ALA 32 6.926 -1.639 -3.236 596 HB1 ALA 32 1HB ALA 32 7.655 -1.828 -5.569 597 HB2 ALA 32 2HB ALA 32 5.976 -1.692 -6.093 598 HB3 ALA 32 3HB ALA 32 6.490 -3.076 -5.128 599 H TRP 33 H TRP 33 8.478 -0.088 -3.697 600 HA TRP 33 HA TRP 33 7.462 2.534 -4.554 601 HB2 TRP 33 2HB TRP 33 7.642 2.580 -2.127 602 HB3 TRP 33 1HB TRP 33 9.274 1.935 -2.205 603 HD1 TRP 33 HD TRP 33 7.312 5.174 -2.813 604 HE1 TRP 33 1HE TRP 33 8.981 7.142 -2.860 605 HE3 TRP 33 3HE TRP 33 11.685 2.534 -2.645 606 HZ2 TRP 33 2HZ TRP 33 11.768 7.511 -2.834 607 HZ3 TRP 33 3HZ TRP 33 13.809 3.772 -2.660 608 HH2 TRP 33 HH TRP 33 13.846 6.209 -2.753 609 H ALA 34 H ALA 34 8.719 3.569 -5.989 610 HA ALA 34 HA ALA 34 11.375 2.420 -6.556 611 HB1 ALA 34 1HB ALA 34 9.795 1.841 -8.326 612 HB2 ALA 34 2HB ALA 34 11.021 2.961 -8.919 613 HB3 ALA 34 3HB ALA 34 9.401 3.546 -8.543 614 HA PRO 35 HA PRO 35 12.857 6.491 -5.626 615 HB2 PRO 35 2HB PRO 35 15.130 5.776 -7.376 616 HB3 PRO 35 1HB PRO 35 15.123 6.230 -5.669 617 HG2 PRO 35 2HG PRO 35 15.581 3.706 -6.441 618 HG3 PRO 35 1HG PRO 35 14.680 4.078 -4.959 619 HD2 PRO 35 2HD PRO 35 13.659 3.208 -7.634 620 HD3 PRO 35 1HD PRO 35 13.111 2.740 -6.010 621 H GLU 36 H GLU 36 13.524 8.449 -6.735 622 HA GLU 36 HA GLU 36 11.878 9.061 -8.901 623 HB2 GLU 36 2HB GLU 36 13.670 11.070 -9.017 624 HB3 GLU 36 1HB GLU 36 12.344 10.992 -7.869 625 HG2 GLU 36 2HG GLU 36 14.433 11.631 -6.796 626 HG3 GLU 36 1HG GLU 36 13.821 10.104 -6.173 627 H GLY 37 H GLY 37 12.016 8.641 -10.967 628 HA2 GLY 37 2HA GLY 37 12.889 8.415 -13.083 629 HA3 GLY 37 1HA GLY 37 14.426 8.988 -12.457 630 H LYS 38 H LYS 38 13.423 6.420 -10.577 631 HA LYS 38 HA LYS 38 15.239 4.649 -12.038 632 HB2 LYS 38 2HB LYS 38 14.516 5.000 -9.218 633 HB3 LYS 38 1HB LYS 38 14.602 3.316 -9.722 634 HG2 LYS 38 2HG LYS 38 16.734 3.992 -8.852 635 HG3 LYS 38 1HG LYS 38 16.879 3.727 -10.589 636 HD2 LYS 38 2HD LYS 38 17.996 5.715 -10.409 637 HD3 LYS 38 1HD LYS 38 16.358 6.321 -10.667 638 HE2 LYS 38 2HE LYS 38 16.140 6.354 -8.135 639 HE3 LYS 38 1HE LYS 38 17.884 6.105 -8.084 640 HZ1 LYS 38 1HZ LYS 38 17.070 8.476 -7.946 641 HZ2 LYS 38 2HZ LYS 38 16.637 8.342 -9.575 642 HZ3 LYS 38 3HZ LYS 38 18.257 8.170 -9.118 643 H ASP 39 H ASP 39 14.640 2.771 -12.922 644 HA ASP 39 HA ASP 39 11.807 2.323 -13.325 645 HB2 ASP 39 2HB ASP 39 12.511 0.747 -15.033 646 HB3 ASP 39 1HB ASP 39 13.433 2.237 -15.205 647 H ARG 40 H ARG 40 14.272 1.088 -11.312 648 HA ARG 40 HA ARG 40 12.746 -1.373 -10.846 649 HB2 ARG 40 2HB ARG 40 14.880 -2.045 -9.570 650 HB3 ARG 40 1HB ARG 40 14.926 -2.028 -11.325 651 HG2 ARG 40 2HG ARG 40 15.747 0.496 -10.752 652 HG3 ARG 40 1HG ARG 40 16.400 -0.408 -9.383 653 HD2 ARG 40 2HD ARG 40 18.011 -0.316 -11.211 654 HD3 ARG 40 1HD ARG 40 17.473 -1.971 -10.929 655 HE ARG 40 HE ARG 40 16.174 -0.375 -13.034 656 HH11 ARG 40 1HH1 ARG 40 18.279 -3.038 -12.142 657 HH12 ARG 40 2HH1 ARG 40 18.171 -3.807 -13.689 658 HH21 ARG 40 1HH2 ARG 40 15.994 -1.385 -15.048 659 HH22 ARG 40 2HH2 ARG 40 16.870 -2.861 -15.356 660 H PHE 41 H PHE 41 11.762 -1.749 -9.003 661 HA PHE 41 HA PHE 41 11.532 0.343 -7.051 662 HB2 PHE 41 2HB PHE 41 10.427 -2.466 -6.863 663 HB3 PHE 41 1HB PHE 41 9.854 -1.033 -6.019 664 HD1 PHE 41 1HD PHE 41 9.899 -2.836 -9.204 665 HD2 PHE 41 2HD PHE 41 8.444 0.575 -7.118 666 HE1 PHE 41 1HE PHE 41 8.259 -2.446 -10.996 667 HE2 PHE 41 2HE PHE 41 6.803 0.972 -8.907 668 HZ PHE 41 HZ PHE 41 6.709 -0.538 -10.848 669 H THR 42 H THR 42 12.688 0.547 -5.230 670 HA THR 42 HA THR 42 14.605 -1.527 -4.552 671 HB THR 42 HB THR 42 15.060 0.312 -2.667 672 HG1 THR 42 1HG THR 42 14.464 2.338 -3.337 673 HG21 THR 42 1HG2 THR 42 15.871 0.666 -5.556 674 HG22 THR 42 2HG2 THR 42 16.642 -0.430 -4.410 675 HG23 THR 42 3HG2 THR 42 16.714 1.312 -4.148 676 H ILE 43 H ILE 43 11.561 -0.320 -3.515 677 HA ILE 43 HA ILE 43 11.669 -2.021 -1.107 678 HB ILE 43 HB ILE 43 9.913 0.388 -1.620 679 HG12 ILE 43 2HG1 ILE 43 12.272 0.969 -1.153 680 HG13 ILE 43 1HG1 ILE 43 11.191 1.494 0.134 681 HG21 ILE 43 1HG2 ILE 43 8.745 -1.261 -0.295 682 HG22 ILE 43 2HG2 ILE 43 9.199 0.110 0.718 683 HG23 ILE 43 3HG2 ILE 43 10.119 -1.391 0.803 684 HD11 ILE 43 1HD1 ILE 43 13.237 0.571 1.037 685 HD12 ILE 43 2HD1 ILE 43 12.948 -0.947 0.183 686 HD13 ILE 43 3HD1 ILE 43 11.857 -0.437 1.472 687 H SER 44 H SER 44 10.465 -3.813 -1.249 688 HA SER 44 HA SER 44 7.937 -3.729 -2.702 689 HB2 SER 44 2HB SER 44 9.808 -4.597 -4.215 690 HB3 SER 44 1HB SER 44 9.895 -5.988 -3.137 691 HG SER 44 HG SER 44 8.127 -5.457 -5.110 692 H HIS 45 H HIS 45 6.522 -4.255 -1.175 693 HA HIS 45 HA HIS 45 7.121 -6.569 0.553 694 HB2 HIS 45 2HB HIS 45 5.857 -3.940 1.317 695 HB3 HIS 45 1HB HIS 45 5.685 -5.390 2.295 696 HD1 HIS 45 1HD HIS 45 8.077 -6.397 3.193 697 HD2 HIS 45 2HD HIS 45 8.022 -2.470 1.855 698 HE1 HIS 45 1HE HIS 45 10.123 -5.287 4.170 699 H MET 46 H MET 46 5.593 -8.080 0.678 700 HA MET 46 HA MET 46 3.192 -7.631 -0.912 701 HB2 MET 46 2HB MET 46 4.236 -10.125 0.460 702 HB3 MET 46 1HB MET 46 2.772 -10.055 -0.514 703 HG2 MET 46 2HG MET 46 4.334 -9.170 -2.370 704 HG3 MET 46 1HG MET 46 5.625 -9.837 -1.375 705 HE1 MET 46 1HE MET 46 1.963 -11.243 -1.808 706 HE2 MET 46 2HE MET 46 2.187 -12.357 -3.157 707 HE3 MET 46 3HE MET 46 2.360 -10.620 -3.409 708 H TYR 47 H TYR 47 1.108 -7.863 -0.002 709 HA TYR 47 HA TYR 47 0.854 -6.713 2.561 710 HB2 TYR 47 2HB TYR 47 -1.279 -8.233 1.052 711 HB3 TYR 47 1HB TYR 47 -1.534 -7.068 2.347 712 HD1 TYR 47 1HD TYR 47 0.157 -4.839 1.674 713 HD2 TYR 47 2HD TYR 47 -2.124 -7.328 -0.910 714 HE1 TYR 47 1HE TYR 47 0.047 -3.018 0.028 715 HE2 TYR 47 2HE TYR 47 -2.240 -5.512 -2.563 716 HH TYR 47 HH TYR 47 -1.424 -3.504 -3.148 717 H ALA 48 H ALA 48 1.371 -9.927 1.597 718 HA ALA 48 HA ALA 48 0.188 -11.212 3.869 719 HB1 ALA 48 1HB ALA 48 1.281 -13.229 3.030 720 HB2 ALA 48 2HB ALA 48 2.174 -12.262 1.857 721 HB3 ALA 48 3HB ALA 48 0.419 -12.385 1.743 722 H ASP 49 H ASP 49 2.979 -9.385 3.454 723 HA ASP 49 HA ASP 49 4.380 -10.782 5.634 724 HB2 ASP 49 2HB ASP 49 5.647 -8.483 4.214 725 HB3 ASP 49 1HB ASP 49 6.389 -9.934 4.868 726 H ILE 50 H ILE 50 2.266 -8.297 5.126 727 HA ILE 50 HA ILE 50 3.465 -6.501 7.106 728 HB ILE 50 HB ILE 50 0.966 -6.093 5.457 729 HG12 ILE 50 2HG1 ILE 50 3.702 -4.892 5.003 730 HG13 ILE 50 1HG1 ILE 50 3.128 -6.321 4.151 731 HG21 ILE 50 1HG2 ILE 50 1.195 -3.755 6.098 732 HG22 ILE 50 2HG2 ILE 50 2.622 -4.147 7.057 733 HG23 ILE 50 3HG2 ILE 50 1.046 -4.784 7.523 734 HD11 ILE 50 1HD1 ILE 50 2.858 -4.333 2.798 735 HD12 ILE 50 2HD1 ILE 50 1.882 -3.584 4.063 736 HD13 ILE 50 3HD1 ILE 50 1.286 -5.014 3.219 737 H LYS 51 H LYS 51 2.654 -6.228 9.115 738 HA LYS 51 HA LYS 51 0.559 -8.046 10.004 739 HB2 LYS 51 2HB LYS 51 2.711 -7.812 11.244 740 HB3 LYS 51 1HB LYS 51 2.276 -6.155 11.620 741 HG2 LYS 51 2HG LYS 51 0.449 -6.853 12.967 742 HG3 LYS 51 1HG LYS 51 0.608 -8.523 12.420 743 HD2 LYS 51 2HD LYS 51 1.547 -8.323 14.632 744 HD3 LYS 51 1HD LYS 51 2.848 -8.611 13.475 745 HE2 LYS 51 2HE LYS 51 2.376 -5.788 13.779 746 HE3 LYS 51 1HE LYS 51 2.651 -6.537 15.351 747 HZ1 LYS 51 1HZ LYS 51 4.450 -6.498 12.997 748 HZ2 LYS 51 2HZ LYS 51 4.661 -7.609 14.259 749 HZ3 LYS 51 3HZ LYS 51 4.759 -5.947 14.570 750 H CYS 52 H CYS 52 1.260 -4.602 9.883 751 HA CYS 52 HA CYS 52 -1.473 -3.862 9.639 752 HB2 CYS 52 2HB CYS 52 -1.228 -2.325 11.780 753 HB3 CYS 52 1HB CYS 52 -1.839 -3.970 11.922 754 HG CYS 52 HG CYS 52 0.318 -2.770 13.784 755 H GLN 53 H GLN 53 -1.527 -1.233 9.844 756 HA GLN 53 HA GLN 53 1.080 -0.320 8.849 757 HB2 GLN 53 2HB GLN 53 -0.319 1.103 7.239 758 HB3 GLN 53 1HB GLN 53 -0.227 -0.608 6.886 759 HG2 GLN 53 2HG GLN 53 -2.400 -0.993 7.495 760 HG3 GLN 53 1HG GLN 53 -2.472 0.428 8.535 761 HE21 GLN 53 1HE2 GLN 53 -4.402 -0.264 6.642 762 HE22 GLN 53 2HE2 GLN 53 -4.433 0.976 5.433 763 H LYS 54 H LYS 54 1.186 2.118 9.019 764 HA LYS 54 HA LYS 54 -0.668 3.298 10.971 765 HB2 LYS 54 2HB LYS 54 2.290 3.765 11.313 766 HB3 LYS 54 1HB LYS 54 0.997 3.996 12.472 767 HG2 LYS 54 2HG LYS 54 0.981 1.275 11.989 768 HG3 LYS 54 1HG LYS 54 2.693 1.704 12.013 769 HD2 LYS 54 2HD LYS 54 2.155 2.983 14.157 770 HD3 LYS 54 1HD LYS 54 0.628 2.097 14.156 771 HE2 LYS 54 2HE LYS 54 1.987 -0.011 13.978 772 HE3 LYS 54 1HE LYS 54 3.413 0.975 14.294 773 HZ1 LYS 54 1HZ LYS 54 2.667 0.022 16.333 774 HZ2 LYS 54 2HZ LYS 54 1.080 0.560 16.090 775 HZ3 LYS 54 3HZ LYS 54 2.323 1.676 16.392 776 H ILE 55 H ILE 55 -0.343 5.671 11.001 777 HA ILE 55 HA ILE 55 0.981 6.662 8.533 778 HB ILE 55 HB ILE 55 -1.112 8.232 8.412 779 HG12 ILE 55 2HG1 ILE 55 -2.203 5.871 9.929 780 HG13 ILE 55 1HG1 ILE 55 -1.977 7.486 10.568 781 HG21 ILE 55 1HG2 ILE 55 -0.567 6.596 6.671 782 HG22 ILE 55 2HG2 ILE 55 -2.306 6.649 6.963 783 HG23 ILE 55 3HG2 ILE 55 -1.342 5.327 7.619 784 HD11 ILE 55 1HD1 ILE 55 -4.275 7.078 10.099 785 HD12 ILE 55 2HD1 ILE 55 -3.900 6.670 8.426 786 HD13 ILE 55 3HD1 ILE 55 -3.652 8.317 9.010 787 H SER 56 H SER 56 2.077 8.658 8.885 788 HA SER 56 HA SER 56 1.861 9.752 11.533 789 HB2 SER 56 2HB SER 56 3.072 11.781 10.294 790 HB3 SER 56 1HB SER 56 3.955 10.321 10.732 791 HG SER 56 HG SER 56 3.659 11.370 8.356 792 HA PRO 57 HA PRO 57 -2.241 11.080 10.801 793 HB2 PRO 57 2HB PRO 57 -2.241 12.731 13.042 794 HB3 PRO 57 1HB PRO 57 -2.620 11.007 13.014 795 HG2 PRO 57 2HG PRO 57 -0.047 12.368 13.688 796 HG3 PRO 57 1HG PRO 57 -0.814 10.965 14.460 797 HD2 PRO 57 2HD PRO 57 1.216 10.642 12.810 798 HD3 PRO 57 1HD PRO 57 -0.165 9.527 12.769 799 H GLU 58 H GLU 58 -3.474 12.977 10.491 800 HA GLU 58 HA GLU 58 -2.259 15.062 9.074 801 HB2 GLU 58 2HB GLU 58 -4.643 16.147 10.000 802 HB3 GLU 58 1HB GLU 58 -4.431 15.253 8.505 803 HG2 GLU 58 2HG GLU 58 -5.096 13.891 11.097 804 HG3 GLU 58 1HG GLU 58 -6.336 14.556 10.037 805 H GLY 59 H GLY 59 -1.412 16.967 9.710 806 HA2 GLY 59 2HA GLY 59 -1.326 18.796 11.342 807 HA3 GLY 59 1HA GLY 59 -1.489 17.572 12.600 808 H LYS 60 H LYS 60 0.287 15.681 11.257 809 HA LYS 60 HA LYS 60 2.795 16.596 12.271 810 HB2 LYS 60 2HB LYS 60 1.905 14.188 10.694 811 HB3 LYS 60 1HB LYS 60 3.620 14.541 10.818 812 HG2 LYS 60 2HG LYS 60 1.924 14.321 13.277 813 HG3 LYS 60 1HG LYS 60 2.553 12.881 12.476 814 HD2 LYS 60 2HD LYS 60 4.586 14.930 12.887 815 HD3 LYS 60 1HD LYS 60 3.853 14.384 14.392 816 HE2 LYS 60 2HE LYS 60 4.459 12.107 13.950 817 HE3 LYS 60 1HE LYS 60 5.004 12.504 12.322 818 HZ1 LYS 60 1HZ LYS 60 6.754 13.869 13.303 819 HZ2 LYS 60 2HZ LYS 60 6.848 12.261 13.822 820 HZ3 LYS 60 3HZ LYS 60 6.219 13.437 14.862 821 H ALA 61 H ALA 61 4.546 17.432 11.094 822 HA ALA 61 HA ALA 61 3.926 18.937 8.796 823 HB1 ALA 61 1HB ALA 61 6.586 18.195 10.006 824 HB2 ALA 61 2HB ALA 61 5.672 19.683 10.252 825 HB3 ALA 61 3HB ALA 61 6.392 19.339 8.679 826 H LYS 62 H LYS 62 4.661 15.667 9.120 827 HA LYS 62 HA LYS 62 5.138 15.467 6.231 828 HB2 LYS 62 2HB LYS 62 6.301 13.441 8.102 829 HB3 LYS 62 1HB LYS 62 6.812 13.878 6.479 830 HG2 LYS 62 2HG LYS 62 7.054 15.957 8.560 831 HG3 LYS 62 1HG LYS 62 8.152 14.580 8.664 832 HD2 LYS 62 2HD LYS 62 8.105 15.374 5.963 833 HD3 LYS 62 1HD LYS 62 8.255 16.849 6.922 834 HE2 LYS 62 2HE LYS 62 9.989 14.400 7.200 835 HE3 LYS 62 1HE LYS 62 10.439 15.872 6.340 836 HZ1 LYS 62 1HZ LYS 62 11.298 15.679 8.667 837 HZ2 LYS 62 2HZ LYS 62 9.703 15.841 9.218 838 HZ3 LYS 62 3HZ LYS 62 10.438 17.103 8.339 839 H ILE 63 H ILE 63 3.106 14.843 5.649 840 HA ILE 63 HA ILE 63 1.566 12.924 7.112 841 HB ILE 63 HB ILE 63 1.230 13.804 4.232 842 HG12 ILE 63 2HG1 ILE 63 -0.339 14.976 6.490 843 HG13 ILE 63 1HG1 ILE 63 1.297 15.563 6.211 844 HG21 ILE 63 1HG2 ILE 63 -0.060 11.824 4.792 845 HG22 ILE 63 2HG2 ILE 63 -1.128 13.213 4.586 846 HG23 ILE 63 3HG2 ILE 63 -0.729 12.639 6.206 847 HD11 ILE 63 1HD1 ILE 63 0.683 16.166 3.927 848 HD12 ILE 63 2HD1 ILE 63 -0.342 16.970 5.116 849 HD13 ILE 63 3HD1 ILE 63 -0.955 15.582 4.218 850 H GLN 64 H GLN 64 2.265 10.819 7.251 851 HA GLN 64 HA GLN 64 3.303 9.630 4.750 852 HB2 GLN 64 2HB GLN 64 4.683 9.124 7.362 853 HB3 GLN 64 1HB GLN 64 5.234 8.713 5.748 854 HG2 GLN 64 2HG GLN 64 5.843 10.923 5.281 855 HG3 GLN 64 1HG GLN 64 4.915 11.554 6.644 856 HE21 GLN 64 1HE2 GLN 64 5.751 11.404 8.709 857 HE22 GLN 64 2HE2 GLN 64 7.401 10.999 9.026 858 H LEU 65 H LEU 65 3.710 7.295 4.939 859 HA LEU 65 HA LEU 65 1.738 5.965 6.680 860 HB2 LEU 65 2HB LEU 65 1.207 5.944 4.216 861 HB3 LEU 65 1HB LEU 65 2.681 5.024 3.970 862 HG LEU 65 HG LEU 65 1.545 3.470 5.819 863 HD11 LEU 65 1HD1 LEU 65 -0.780 4.688 4.355 864 HD12 LEU 65 2HD1 LEU 65 -0.424 4.857 6.074 865 HD13 LEU 65 3HD1 LEU 65 -0.844 3.277 5.412 866 HD21 LEU 65 1HD2 LEU 65 0.878 3.418 2.893 867 HD22 LEU 65 2HD2 LEU 65 0.736 2.065 4.015 868 HD23 LEU 65 3HD2 LEU 65 2.322 2.742 3.647 869 H GLN 66 H GLN 66 2.434 4.152 7.757 870 HA GLN 66 HA GLN 66 5.239 3.336 7.378 871 HB2 GLN 66 2HB GLN 66 4.842 4.710 9.433 872 HB3 GLN 66 1HB GLN 66 3.737 3.468 9.995 873 HG2 GLN 66 2HG GLN 66 5.495 1.871 10.170 874 HG3 GLN 66 1HG GLN 66 6.634 2.958 9.374 875 HE21 GLN 66 1HE2 GLN 66 7.581 4.586 10.523 876 HE22 GLN 66 2HE2 GLN 66 7.438 4.743 12.243 877 H LEU 67 H LEU 67 5.381 1.269 6.801 878 HA LEU 67 HA LEU 67 3.104 -0.500 7.280 879 HB2 LEU 67 2HB LEU 67 5.547 -0.696 5.538 880 HB3 LEU 67 1HB LEU 67 4.498 -2.072 5.822 881 HG LEU 67 HG LEU 67 3.748 0.519 4.482 882 HD11 LEU 67 1HD1 LEU 67 5.064 -0.997 3.105 883 HD12 LEU 67 2HD1 LEU 67 3.395 -0.924 2.538 884 HD13 LEU 67 3HD1 LEU 67 3.950 -2.314 3.473 885 HD21 LEU 67 1HD2 LEU 67 2.048 -1.887 5.128 886 HD22 LEU 67 2HD2 LEU 67 1.556 -0.523 4.124 887 HD23 LEU 67 3HD2 LEU 67 1.892 -0.281 5.839 888 H VAL 68 H VAL 68 3.128 -1.590 9.153 889 HA VAL 68 HA VAL 68 5.719 -2.375 10.266 890 HB VAL 68 HB VAL 68 2.964 -2.476 11.515 891 HG11 VAL 68 1HG1 VAL 68 5.659 -3.211 12.665 892 HG12 VAL 68 2HG1 VAL 68 4.327 -4.319 12.330 893 HG13 VAL 68 3HG1 VAL 68 4.158 -3.089 13.584 894 HG21 VAL 68 1HG2 VAL 68 5.372 -0.780 12.135 895 HG22 VAL 68 2HG2 VAL 68 3.818 -0.729 12.964 896 HG23 VAL 68 3HG2 VAL 68 3.934 -0.234 11.276 897 H LEU 69 H LEU 69 6.460 -4.209 9.569 898 HA LEU 69 HA LEU 69 4.790 -6.191 8.411 899 HB2 LEU 69 2HB LEU 69 7.698 -6.355 9.156 900 HB3 LEU 69 1HB LEU 69 6.831 -7.492 8.138 901 HG LEU 69 HG LEU 69 7.884 -4.805 7.507 902 HD11 LEU 69 1HD1 LEU 69 8.295 -5.892 5.354 903 HD12 LEU 69 2HD1 LEU 69 7.477 -7.337 5.950 904 HD13 LEU 69 3HD1 LEU 69 8.974 -6.795 6.708 905 HD21 LEU 69 1HD2 LEU 69 6.355 -4.507 5.622 906 HD22 LEU 69 2HD2 LEU 69 5.553 -4.348 7.185 907 HD23 LEU 69 3HD2 LEU 69 5.362 -5.827 6.242 908 H HIS 70 H HIS 70 5.395 -8.603 9.158 909 HA HIS 70 HA HIS 70 3.955 -9.008 11.510 910 HB2 HIS 70 2HB HIS 70 5.728 -10.860 9.943 911 HB3 HIS 70 1HB HIS 70 4.774 -11.388 11.327 912 HD1 HIS 70 1HD HIS 70 2.127 -9.913 10.756 913 HD2 HIS 70 2HD HIS 70 4.353 -11.895 7.872 914 HE1 HIS 70 1HE HIS 70 0.539 -10.413 8.858 915 H ALA 71 H ALA 71 7.494 -9.289 11.066 916 HA ALA 71 HA ALA 71 7.940 -10.079 13.766 917 HB1 ALA 71 1HB ALA 71 9.471 -10.554 11.851 918 HB2 ALA 71 2HB ALA 71 10.264 -9.900 13.282 919 HB3 ALA 71 3HB ALA 71 9.954 -8.858 11.894 920 H GLY 72 H GLY 72 7.469 -7.038 12.261 921 HA2 GLY 72 2HA GLY 72 6.881 -5.211 13.848 922 HA3 GLY 72 1HA GLY 72 8.329 -5.670 14.741 923 H ASP 73 H ASP 73 8.424 -5.908 11.391 924 HA ASP 73 HA ASP 73 10.550 -4.029 11.098 925 HB2 ASP 73 2HB ASP 73 9.042 -5.186 8.781 926 HB3 ASP 73 1HB ASP 73 10.766 -4.927 8.948 927 H THR 74 H THR 74 10.406 -2.153 9.586 928 HA THR 74 HA THR 74 7.672 -1.245 9.130 929 HB THR 74 HB THR 74 8.485 1.069 10.049 930 HG1 THR 74 1HG THR 74 9.964 -0.588 11.798 931 HG21 THR 74 1HG2 THR 74 7.592 0.541 12.260 932 HG22 THR 74 2HG2 THR 74 7.756 -1.181 11.918 933 HG23 THR 74 3HG2 THR 74 6.622 -0.202 10.988 934 H THR 75 H THR 75 7.416 0.289 7.572 935 HA THR 75 HA THR 75 9.783 1.194 6.092 936 HB THR 75 HB THR 75 7.288 0.447 4.618 937 HG1 THR 75 1HG THR 75 9.270 -1.343 5.594 938 HG21 THR 75 1HG2 THR 75 8.911 -0.022 2.821 939 HG22 THR 75 2HG2 THR 75 10.227 0.396 3.917 940 HG23 THR 75 3HG2 THR 75 9.061 1.626 3.429 941 H ASN 76 H ASN 76 9.729 3.361 5.851 942 HA ASN 76 HA ASN 76 7.201 4.744 6.388 943 HB2 ASN 76 2HB ASN 76 10.046 5.473 6.740 944 HB3 ASN 76 1HB ASN 76 8.948 6.770 6.303 945 HD21 ASN 76 1HD2 ASN 76 8.830 7.868 8.106 946 HD22 ASN 76 2HD2 ASN 76 8.289 7.240 9.621 947 H PHE 77 H PHE 77 6.084 5.653 4.863 948 HA PHE 77 HA PHE 77 7.466 6.422 2.378 949 HB2 PHE 77 2HB PHE 77 4.605 5.501 2.764 950 HB3 PHE 77 1HB PHE 77 5.269 6.099 1.247 951 HD1 PHE 77 1HD PHE 77 7.598 4.871 0.627 952 HD2 PHE 77 2HD PHE 77 4.437 3.227 2.951 953 HE1 PHE 77 1HE PHE 77 8.376 2.606 0.071 954 HE2 PHE 77 2HE PHE 77 5.208 0.958 2.400 955 HZ PHE 77 HZ PHE 77 7.179 0.644 0.960 956 H HIS 78 H HIS 78 7.839 8.509 2.601 957 HA HIS 78 HA HIS 78 5.967 10.260 3.968 958 HB2 HIS 78 2HB HIS 78 8.330 10.575 4.399 959 HB3 HIS 78 1HB HIS 78 8.666 10.740 2.681 960 HD1 HIS 78 1HD HIS 78 9.688 13.105 3.001 961 HD2 HIS 78 2HD HIS 78 5.736 12.784 4.230 962 HE1 HIS 78 1HE HIS 78 8.866 15.466 3.363 963 H PHE 79 H PHE 79 4.298 11.057 2.905 964 HA PHE 79 HA PHE 79 4.284 11.218 0.025 965 HB2 PHE 79 2HB PHE 79 2.249 12.063 2.107 966 HB3 PHE 79 1HB PHE 79 1.976 12.123 0.369 967 HD1 PHE 79 1HD PHE 79 1.548 10.124 -0.888 968 HD2 PHE 79 2HD PHE 79 2.412 9.927 3.272 969 HE1 PHE 79 1HE PHE 79 0.780 7.787 -0.842 970 HE2 PHE 79 2HE PHE 79 1.646 7.591 3.326 971 HZ PHE 79 HZ PHE 79 0.822 6.521 1.270 972 H SER 80 H SER 80 6.116 12.633 -0.057 973 HA SER 80 HA SER 80 5.918 15.316 0.941 974 HB2 SER 80 2HB SER 80 8.052 15.393 -0.678 975 HB3 SER 80 1HB SER 80 8.112 14.707 0.944 976 HG SER 80 HG SER 80 7.513 13.181 -1.377 977 H ASN 81 H ASN 81 3.840 14.520 -0.954 978 HA ASN 81 HA ASN 81 4.461 16.263 -3.234 979 HB2 ASN 81 2HB ASN 81 3.526 13.909 -3.602 980 HB3 ASN 81 1HB ASN 81 2.008 14.525 -2.950 981 HD21 ASN 81 1HD2 ASN 81 0.976 14.135 -4.933 982 HD22 ASN 81 2HD2 ASN 81 1.240 15.176 -6.298 983 H GLU 82 H GLU 82 4.051 18.300 -2.719 984 HA GLU 82 HA GLU 82 2.261 19.152 -0.724 985 HB2 GLU 82 2HB GLU 82 3.349 20.771 -3.033 986 HB3 GLU 82 1HB GLU 82 2.720 21.400 -1.518 987 HG2 GLU 82 2HG GLU 82 4.970 21.535 -1.147 988 HG3 GLU 82 1HG GLU 82 4.617 19.951 -0.460 989 H SER 83 H SER 83 1.537 18.020 -3.802 990 HA SER 83 HA SER 83 -0.693 19.772 -4.299 991 HB2 SER 83 2HB SER 83 -0.097 17.141 -5.654 992 HB3 SER 83 1HB SER 83 -1.044 18.492 -6.282 993 HG SER 83 HG SER 83 1.376 19.384 -5.615 994 H THR 84 H THR 84 -0.501 16.224 -3.714 995 HA THR 84 HA THR 84 -3.065 16.472 -2.299 996 HB THR 84 HB THR 84 -3.396 14.045 -3.380 997 HG1 THR 84 1HG THR 84 -1.492 14.129 -4.635 998 HG21 THR 84 1HG2 THR 84 -4.826 15.114 -5.071 999 HG22 THR 84 2HG2 THR 84 -4.048 16.662 -4.743 1000 HG23 THR 84 3HG2 THR 84 -5.007 15.874 -3.489 1001 H ALA 85 H ALA 85 -0.462 16.253 -1.099 1002 HA ALA 85 HA ALA 85 0.457 13.789 -0.361 1003 HB1 ALA 85 1HB ALA 85 1.533 15.836 0.355 1004 HB2 ALA 85 2HB ALA 85 1.204 14.806 1.751 1005 HB3 ALA 85 3HB ALA 85 0.177 16.203 1.423 1006 H VAL 86 H VAL 86 -2.183 15.553 1.210 1007 HA VAL 86 HA VAL 86 -2.702 13.650 3.213 1008 HB VAL 86 HB VAL 86 -4.424 15.800 1.994 1009 HG11 VAL 86 1HG1 VAL 86 -5.930 14.107 2.839 1010 HG12 VAL 86 2HG1 VAL 86 -5.936 15.492 3.931 1011 HG13 VAL 86 3HG1 VAL 86 -5.043 14.033 4.361 1012 HG21 VAL 86 1HG2 VAL 86 -4.020 16.940 4.126 1013 HG22 VAL 86 2HG2 VAL 86 -2.522 16.600 3.258 1014 HG23 VAL 86 3HG2 VAL 86 -2.990 15.601 4.634 1015 H LYS 87 H LYS 87 -4.262 14.166 0.046 1016 HA LYS 87 HA LYS 87 -6.097 12.023 0.439 1017 HB2 LYS 87 2HB LYS 87 -5.402 13.683 -1.965 1018 HB3 LYS 87 1HB LYS 87 -6.545 12.349 -2.048 1019 HG2 LYS 87 2HG LYS 87 -6.793 14.972 -0.656 1020 HG3 LYS 87 1HG LYS 87 -7.941 14.144 -1.706 1021 HD2 LYS 87 2HD LYS 87 -7.209 13.278 1.095 1022 HD3 LYS 87 1HD LYS 87 -8.657 14.184 0.662 1023 HE2 LYS 87 2HE LYS 87 -9.432 12.341 -0.715 1024 HE3 LYS 87 1HE LYS 87 -7.949 11.445 -0.389 1025 HZ1 LYS 87 1HZ LYS 87 -10.140 12.103 1.499 1026 HZ2 LYS 87 2HZ LYS 87 -8.616 11.564 2.033 1027 HZ3 LYS 87 3HZ LYS 87 -9.574 10.578 1.041 1028 H GLU 88 H GLU 88 -2.998 12.278 -1.286 1029 HA GLU 88 HA GLU 88 -3.194 9.724 -2.496 1030 HB2 GLU 88 2HB GLU 88 -0.810 11.447 -1.808 1031 HB3 GLU 88 1HB GLU 88 -0.638 9.873 -2.563 1032 HG2 GLU 88 2HG GLU 88 -1.769 10.573 -4.508 1033 HG3 GLU 88 1HG GLU 88 -2.333 12.053 -3.734 1034 H ARG 89 H ARG 89 -2.075 10.837 0.656 1035 HA ARG 89 HA ARG 89 -1.031 8.362 1.524 1036 HB2 ARG 89 2HB ARG 89 -0.595 10.388 2.822 1037 HB3 ARG 89 1HB ARG 89 -2.315 10.565 3.159 1038 HG2 ARG 89 2HG ARG 89 -1.972 8.100 4.102 1039 HG3 ARG 89 1HG ARG 89 -0.331 8.703 4.326 1040 HD2 ARG 89 2HD ARG 89 -1.669 9.027 6.323 1041 HD3 ARG 89 1HD ARG 89 -1.190 10.571 5.622 1042 HE ARG 89 HE ARG 89 -3.731 9.896 4.642 1043 HH11 ARG 89 1HH1 ARG 89 -2.193 10.819 7.650 1044 HH12 ARG 89 2HH1 ARG 89 -3.633 11.538 8.317 1045 HH21 ARG 89 1HH2 ARG 89 -5.626 10.864 5.508 1046 HH22 ARG 89 2HH2 ARG 89 -5.554 11.624 7.087 1047 H ASP 90 H ASP 90 -4.196 9.875 1.826 1048 HA ASP 90 HA ASP 90 -5.538 7.872 3.225 1049 HB2 ASP 90 2HB ASP 90 -6.431 9.972 1.271 1050 HB3 ASP 90 1HB ASP 90 -7.579 8.776 1.860 1051 H ALA 91 H ALA 91 -5.043 8.305 -0.255 1052 HA ALA 91 HA ALA 91 -6.619 6.211 -1.167 1053 HB1 ALA 91 1HB ALA 91 -5.295 6.302 -3.205 1054 HB2 ALA 91 2HB ALA 91 -4.059 7.244 -2.371 1055 HB3 ALA 91 3HB ALA 91 -5.666 7.926 -2.624 1056 H VAL 92 H VAL 92 -3.257 6.215 -0.076 1057 HA VAL 92 HA VAL 92 -2.851 3.429 -0.700 1058 HB VAL 92 HB VAL 92 -1.191 5.330 0.970 1059 HG11 VAL 92 1HG1 VAL 92 -0.714 3.029 1.567 1060 HG12 VAL 92 2HG1 VAL 92 0.629 3.706 0.646 1061 HG13 VAL 92 3HG1 VAL 92 -0.509 2.606 -0.132 1062 HG21 VAL 92 1HG2 VAL 92 -1.394 6.038 -1.351 1063 HG22 VAL 92 2HG2 VAL 92 -0.866 4.443 -1.891 1064 HG23 VAL 92 3HG2 VAL 92 0.243 5.484 -0.996 1065 H LYS 93 H LYS 93 -3.358 5.383 2.166 1066 HA LYS 93 HA LYS 93 -3.092 3.401 4.116 1067 HB2 LYS 93 2HB LYS 93 -2.978 5.510 4.963 1068 HB3 LYS 93 1HB LYS 93 -4.181 6.137 3.860 1069 HG2 LYS 93 2HG LYS 93 -5.933 5.051 5.234 1070 HG3 LYS 93 1HG LYS 93 -4.675 4.601 6.393 1071 HD2 LYS 93 2HD LYS 93 -4.371 6.741 7.103 1072 HD3 LYS 93 1HD LYS 93 -4.774 7.433 5.532 1073 HE2 LYS 93 2HE LYS 93 -6.918 6.079 7.069 1074 HE3 LYS 93 1HE LYS 93 -6.375 7.663 7.618 1075 HZ1 LYS 93 1HZ LYS 93 -6.773 8.450 5.280 1076 HZ2 LYS 93 2HZ LYS 93 -8.167 8.013 6.135 1077 HZ3 LYS 93 3HZ LYS 93 -7.535 6.959 4.971 1078 H ASP 94 H ASP 94 -5.971 4.696 2.512 1079 HA ASP 94 HA ASP 94 -7.796 2.997 3.874 1080 HB2 ASP 94 2HB ASP 94 -7.951 4.897 1.575 1081 HB3 ASP 94 1HB ASP 94 -9.283 3.788 1.857 1082 H LEU 95 H LEU 95 -6.109 2.793 0.802 1083 HA LEU 95 HA LEU 95 -7.579 0.486 -0.097 1084 HB2 LEU 95 2HB LEU 95 -6.411 2.008 -1.676 1085 HB3 LEU 95 1HB LEU 95 -4.873 1.503 -1.007 1086 HG LEU 95 HG LEU 95 -5.182 -0.748 -1.851 1087 HD11 LEU 95 1HD1 LEU 95 -7.115 -1.344 -3.223 1088 HD12 LEU 95 2HD1 LEU 95 -7.841 0.228 -2.886 1089 HD13 LEU 95 3HD1 LEU 95 -7.595 -0.929 -1.579 1090 HD21 LEU 95 1HD2 LEU 95 -4.191 0.884 -3.361 1091 HD22 LEU 95 2HD2 LEU 95 -5.792 1.331 -3.951 1092 HD23 LEU 95 3HD2 LEU 95 -5.159 -0.287 -4.256 1093 H LEU 96 H LEU 96 -4.831 1.091 1.933 1094 HA LEU 96 HA LEU 96 -3.854 -1.576 1.864 1095 HB2 LEU 96 2HB LEU 96 -3.350 0.810 3.539 1096 HB3 LEU 96 1HB LEU 96 -2.947 -0.754 4.228 1097 HG LEU 96 HG LEU 96 -1.904 0.351 1.621 1098 HD11 LEU 96 1HD1 LEU 96 -0.577 -0.077 4.285 1099 HD12 LEU 96 2HD1 LEU 96 -0.945 1.473 3.529 1100 HD13 LEU 96 3HD1 LEU 96 0.246 0.396 2.799 1101 HD21 LEU 96 1HD2 LEU 96 -0.486 -1.603 1.545 1102 HD22 LEU 96 2HD2 LEU 96 -2.179 -2.095 1.599 1103 HD23 LEU 96 3HD2 LEU 96 -1.182 -2.200 3.050 1104 H GLN 97 H GLN 97 -5.829 0.195 4.350 1105 HA GLN 97 HA GLN 97 -6.467 -2.046 5.838 1106 HB2 GLN 97 2HB GLN 97 -8.755 -0.691 6.082 1107 HB3 GLN 97 1HB GLN 97 -7.272 -0.197 6.882 1108 HG2 GLN 97 2HG GLN 97 -6.981 1.110 4.589 1109 HG3 GLN 97 1HG GLN 97 -8.741 1.020 4.643 1110 HE21 GLN 97 1HE2 GLN 97 -7.141 1.014 7.632 1111 HE22 GLN 97 2HE2 GLN 97 -7.431 2.668 8.047 1112 H GLN 98 H GLN 98 -7.424 -1.249 2.660 1113 HA GLN 98 HA GLN 98 -9.662 -3.062 2.555 1114 HB2 GLN 98 2HB GLN 98 -8.263 -1.229 0.666 1115 HB3 GLN 98 1HB GLN 98 -9.225 -2.524 -0.018 1116 HG2 GLN 98 2HG GLN 98 -10.049 -0.036 1.208 1117 HG3 GLN 98 1HG GLN 98 -10.937 -1.120 0.137 1118 HE21 GLN 98 1HE2 GLN 98 -12.214 -2.720 0.997 1119 HE22 GLN 98 2HE2 GLN 98 -12.641 -2.759 2.677 1120 H LEU 99 H LEU 99 -6.357 -3.010 1.197 1121 HA LEU 99 HA LEU 99 -6.666 -5.692 0.142 1122 HB2 LEU 99 2HB LEU 99 -4.544 -3.596 -0.020 1123 HB3 LEU 99 1HB LEU 99 -4.201 -5.245 -0.511 1124 HG LEU 99 HG LEU 99 -6.489 -3.660 -1.652 1125 HD11 LEU 99 1HD1 LEU 99 -3.762 -4.012 -2.880 1126 HD12 LEU 99 2HD1 LEU 99 -4.289 -2.546 -2.053 1127 HD13 LEU 99 3HD1 LEU 99 -5.118 -3.079 -3.516 1128 HD21 LEU 99 1HD2 LEU 99 -6.326 -5.316 -3.452 1129 HD22 LEU 99 2HD2 LEU 99 -6.655 -6.068 -1.890 1130 HD23 LEU 99 3HD2 LEU 99 -5.030 -6.130 -2.573 1131 H LEU 100 H LEU 100 -5.150 -4.253 2.940 1132 HA LEU 100 HA LEU 100 -3.227 -6.209 3.463 1133 HB2 LEU 100 2HB LEU 100 -4.672 -4.254 5.199 1134 HB3 LEU 100 1HB LEU 100 -3.641 -5.470 5.934 1135 HG LEU 100 HG LEU 100 -2.715 -3.522 3.823 1136 HD11 LEU 100 1HD1 LEU 100 -2.252 -3.416 6.808 1137 HD12 LEU 100 2HD1 LEU 100 -3.297 -2.328 5.893 1138 HD13 LEU 100 3HD1 LEU 100 -1.558 -2.329 5.605 1139 HD21 LEU 100 1HD2 LEU 100 -1.438 -5.560 3.840 1140 HD22 LEU 100 2HD2 LEU 100 -1.234 -5.457 5.588 1141 HD23 LEU 100 3HD2 LEU 100 -0.477 -4.257 4.540 1142 HA PRO 101 HA PRO 101 -6.511 -8.555 6.186 1143 HB2 PRO 101 2HB PRO 101 -9.117 -8.202 5.477 1144 HB3 PRO 101 1HB PRO 101 -8.319 -7.280 6.756 1145 HG2 PRO 101 2HG PRO 101 -8.822 -6.516 3.904 1146 HG3 PRO 101 1HG PRO 101 -9.044 -5.550 5.376 1147 HD2 PRO 101 2HD PRO 101 -6.887 -5.241 3.814 1148 HD3 PRO 101 1HD PRO 101 -6.778 -5.112 5.582 1149 H LYS 102 H LYS 102 -6.528 -8.026 2.815 1150 HA LYS 102 HA LYS 102 -7.983 -10.322 1.996 1151 HB2 LYS 102 2HB LYS 102 -7.614 -8.554 0.406 1152 HB3 LYS 102 1HB LYS 102 -5.874 -8.648 0.621 1153 HG2 LYS 102 2HG LYS 102 -5.955 -10.939 -0.368 1154 HG3 LYS 102 1HG LYS 102 -7.659 -10.654 -0.732 1155 HD2 LYS 102 2HD LYS 102 -7.173 -8.962 -2.267 1156 HD3 LYS 102 1HD LYS 102 -5.545 -8.725 -1.629 1157 HE2 LYS 102 2HE LYS 102 -5.059 -11.090 -2.432 1158 HE3 LYS 102 1HE LYS 102 -6.577 -10.985 -3.323 1159 HZ1 LYS 102 1HZ LYS 102 -4.541 -8.879 -3.639 1160 HZ2 LYS 102 2HZ LYS 102 -5.738 -9.377 -4.721 1161 HZ3 LYS 102 3HZ LYS 102 -4.370 -10.342 -4.475 1162 H PHE 103 H PHE 103 -4.680 -9.660 2.893 1163 HA PHE 103 HA PHE 103 -3.940 -12.466 2.443 1164 HB2 PHE 103 2HB PHE 103 -2.232 -10.013 2.936 1165 HB3 PHE 103 1HB PHE 103 -1.601 -11.649 2.770 1166 HD1 PHE 103 1HD PHE 103 -1.171 -12.556 0.662 1167 HD2 PHE 103 2HD PHE 103 -3.471 -8.993 0.996 1168 HE1 PHE 103 1HE PHE 103 -1.050 -12.250 -1.776 1169 HE2 PHE 103 2HE PHE 103 -3.356 -8.683 -1.438 1170 HZ PHE 103 HZ PHE 103 -2.144 -10.312 -2.826 1171 H LYS 104 H LYS 104 -4.103 -9.921 4.855 1172 HA LYS 104 HA LYS 104 -3.086 -11.585 6.978 1173 HB2 LYS 104 2HB LYS 104 -2.620 -9.238 7.110 1174 HB3 LYS 104 1HB LYS 104 -4.316 -8.826 6.906 1175 HG2 LYS 104 2HG LYS 104 -4.763 -9.934 9.103 1176 HG3 LYS 104 1HG LYS 104 -3.015 -10.095 9.303 1177 HD2 LYS 104 2HD LYS 104 -2.744 -7.698 9.195 1178 HD3 LYS 104 1HD LYS 104 -4.463 -7.487 8.857 1179 HE2 LYS 104 2HE LYS 104 -5.049 -8.293 11.040 1180 HE3 LYS 104 1HE LYS 104 -3.376 -8.740 11.374 1181 HZ1 LYS 104 1HZ LYS 104 -4.405 -5.975 10.971 1182 HZ2 LYS 104 2HZ LYS 104 -2.778 -6.389 11.231 1183 HZ3 LYS 104 3HZ LYS 104 -3.925 -6.663 12.445 1184 H ARG 105 H ARG 105 -4.296 -13.170 7.750 1185 HA ARG 105 HA ARG 105 -7.128 -13.261 7.470 1186 HB2 ARG 105 2HB ARG 105 -5.411 -14.999 9.248 1187 HB3 ARG 105 1HB ARG 105 -7.006 -15.377 8.612 1188 HG2 ARG 105 2HG ARG 105 -4.741 -14.849 6.736 1189 HG3 ARG 105 1HG ARG 105 -4.892 -16.420 7.522 1190 HD2 ARG 105 2HD ARG 105 -5.946 -16.196 5.226 1191 HD3 ARG 105 1HD ARG 105 -6.972 -16.849 6.501 1192 HE ARG 105 HE ARG 105 -8.250 -14.900 6.474 1193 HH11 ARG 105 1HH1 ARG 105 -5.606 -14.698 4.170 1194 HH12 ARG 105 2HH1 ARG 105 -6.240 -13.289 3.382 1195 HH21 ARG 105 1HH2 ARG 105 -9.050 -13.061 5.483 1196 HH22 ARG 105 2HH2 ARG 105 -8.195 -12.323 4.163 1197 H LYS 106 H LYS 106 -8.682 -12.632 8.825 1198 HA LYS 106 HA LYS 106 -8.136 -12.200 11.639 1199 HB2 LYS 106 2HB LYS 106 -7.432 -10.071 10.575 1200 HB3 LYS 106 1HB LYS 106 -9.047 -9.897 9.901 1201 HG2 LYS 106 2HG LYS 106 -9.920 -9.920 12.260 1202 HG3 LYS 106 1HG LYS 106 -8.242 -9.809 12.797 1203 HD2 LYS 106 2HD LYS 106 -9.255 -7.602 12.736 1204 HD3 LYS 106 1HD LYS 106 -7.989 -7.725 11.511 1205 HE2 LYS 106 2HE LYS 106 -9.938 -8.406 9.939 1206 HE3 LYS 106 1HE LYS 106 -10.962 -7.669 11.168 1207 HZ1 LYS 106 1HZ LYS 106 -10.110 -6.257 9.198 1208 HZ2 LYS 106 2HZ LYS 106 -8.658 -6.180 10.091 1209 HZ3 LYS 106 3HZ LYS 106 -10.100 -5.592 10.758 1210 H ALA 107 H ALA 107 -10.629 -10.842 9.486 1211 HA ALA 107 HA ALA 107 -12.644 -12.244 11.082 1212 HB1 ALA 107 1HB ALA 107 -12.995 -9.981 9.117 1213 HB2 ALA 107 2HB ALA 107 -12.905 -9.811 10.869 1214 HB3 ALA 107 3HB ALA 107 -14.257 -10.673 10.136 1215 H ASN 108 H ASN 108 -10.868 -13.015 8.726 1216 HA ASN 108 HA ASN 108 -12.476 -15.000 7.593 1217 HB2 ASN 108 2HB ASN 108 -13.278 -12.790 6.409 1218 HB3 ASN 108 1HB ASN 108 -11.755 -12.916 5.538 1219 HD21 ASN 108 1HD2 ASN 108 -11.752 -15.818 5.472 1220 HD22 ASN 108 2HD2 ASN 108 -12.972 -16.270 4.325 Start of MODEL 13 1 H ARG 390 2HT ARG 390 20.502 8.890 1.084 2 HA ARG 390 HA ARG 390 20.777 10.517 3.529 3 HB2 ARG 390 2HB ARG 390 19.084 8.816 3.713 4 HB3 ARG 390 1HB ARG 390 20.144 7.608 3.001 5 HG2 ARG 390 2HG ARG 390 21.416 7.400 4.926 6 HG3 ARG 390 1HG ARG 390 20.908 8.970 5.551 7 HD2 ARG 390 2HD ARG 390 19.160 6.525 5.290 8 HD3 ARG 390 1HD ARG 390 19.878 7.124 6.786 9 HE ARG 390 HE ARG 390 17.741 8.426 5.245 10 HH11 ARG 390 1HH1 ARG 390 19.643 8.136 8.175 11 HH12 ARG 390 2HH1 ARG 390 18.676 9.273 9.067 12 HH21 ARG 390 1HH2 ARG 390 16.487 9.935 6.414 13 HH22 ARG 390 2HH2 ARG 390 16.894 10.318 8.059 14 H ARG 391 H ARG 391 22.664 10.542 4.576 15 HA ARG 391 HA ARG 391 24.983 9.348 3.267 16 HB2 ARG 391 2HB ARG 391 26.299 10.706 4.784 17 HB3 ARG 391 1HB ARG 391 25.016 11.707 4.116 18 HG2 ARG 391 2HG ARG 391 23.730 11.482 6.153 19 HG3 ARG 391 1HG ARG 391 24.935 10.384 6.822 20 HD2 ARG 391 2HD ARG 391 25.911 12.168 7.721 21 HD3 ARG 391 1HD ARG 391 26.382 12.636 6.088 22 HE ARG 391 HE ARG 391 24.847 14.322 6.166 23 HH11 ARG 391 1HH1 ARG 391 24.069 12.026 8.711 24 HH12 ARG 391 2HH1 ARG 391 22.857 13.052 9.424 25 HH21 ARG 391 1HH2 ARG 391 23.259 15.670 7.146 26 HH22 ARG 391 2HH2 ARG 391 22.404 15.102 8.545 27 H ARG 392 H ARG 392 26.636 8.843 5.472 28 HA ARG 392 HA ARG 392 25.558 6.331 6.357 29 HB2 ARG 392 2HB ARG 392 28.097 7.169 5.897 30 HB3 ARG 392 1HB ARG 392 28.022 7.331 7.647 31 HG2 ARG 392 2HG ARG 392 26.889 4.820 6.888 32 HG3 ARG 392 1HG ARG 392 28.474 5.002 6.134 33 HD2 ARG 392 2HD ARG 392 28.935 4.011 8.196 34 HD3 ARG 392 1HD ARG 392 29.286 5.718 8.453 35 HE ARG 392 HE ARG 392 26.666 4.601 9.240 36 HH11 ARG 392 1HH1 ARG 392 29.700 6.155 10.080 37 HH12 ARG 392 2HH1 ARG 392 29.210 6.530 11.696 38 HH21 ARG 392 1HH2 ARG 392 26.012 5.082 11.365 39 HH22 ARG 392 2HH2 ARG 392 27.109 5.914 12.434 40 H THR 393 H THR 393 23.720 7.323 7.397 41 HA THR 393 HA THR 393 24.230 7.740 10.227 42 HB THR 393 HB THR 393 22.526 9.675 8.633 43 HG1 THR 393 1HG THR 393 25.193 9.657 9.305 44 HG21 THR 393 1HG2 THR 393 22.350 10.910 10.740 45 HG22 THR 393 2HG2 THR 393 23.295 9.666 11.557 46 HG23 THR 393 3HG2 THR 393 21.700 9.279 10.913 47 H GLU 394 H GLU 394 23.285 5.874 10.738 48 HA GLU 394 HA GLU 394 20.752 5.051 9.621 49 HB2 GLU 394 2HB GLU 394 22.313 3.793 11.885 50 HB3 GLU 394 1HB GLU 394 21.079 3.030 10.892 51 HG2 GLU 394 2HG GLU 394 23.127 2.186 10.119 52 HG3 GLU 394 1HG GLU 394 22.629 3.379 8.923 53 H ALA 395 H ALA 395 20.528 7.489 10.943 54 HA ALA 395 HA ALA 395 18.522 6.843 12.918 55 HB1 ALA 395 1HB ALA 395 19.451 8.261 14.669 56 HB2 ALA 395 2HB ALA 395 20.874 8.578 13.676 57 HB3 ALA 395 3HB ALA 395 20.565 6.950 14.278 58 H LEU 396 H LEU 396 17.698 9.103 13.826 59 HA LEU 396 HA LEU 396 16.795 10.560 11.531 60 HB2 LEU 396 2HB LEU 396 15.518 10.025 13.704 61 HB3 LEU 396 1HB LEU 396 16.406 11.366 14.403 62 HG LEU 396 HG LEU 396 15.432 12.692 12.353 63 HD11 LEU 396 1HD1 LEU 396 14.445 10.754 11.253 64 HD12 LEU 396 2HD1 LEU 396 13.204 11.914 11.725 65 HD13 LEU 396 3HD1 LEU 396 13.446 10.446 12.674 66 HD21 LEU 396 1HD2 LEU 396 13.779 11.902 14.750 67 HD22 LEU 396 2HD2 LEU 396 13.503 13.314 13.730 68 HD23 LEU 396 3HD2 LEU 396 14.976 13.196 14.692 69 H GLY 397 H GLY 397 17.975 12.098 10.573 70 HA2 GLY 397 2HA GLY 397 18.750 14.479 11.373 71 HA3 GLY 397 1HA GLY 397 19.995 13.522 12.160 72 H ASP 398 H ASP 398 18.592 12.853 8.991 73 HA ASP 398 HA ASP 398 21.258 13.343 7.836 74 HB2 ASP 398 2HB ASP 398 20.600 11.030 7.589 75 HB3 ASP 398 1HB ASP 398 19.044 11.503 6.914 76 H ALA 399 H ALA 399 21.499 14.687 6.153 77 HA ALA 399 HA ALA 399 21.077 16.472 4.805 78 HB1 ALA 399 1HB ALA 399 19.356 16.162 3.145 79 HB2 ALA 399 2HB ALA 399 18.603 14.905 4.128 80 HB3 ALA 399 3HB ALA 399 20.203 14.641 3.432 81 H GLU 400 H GLU 400 18.017 16.848 4.241 82 HA GLU 400 HA GLU 400 17.725 19.082 6.002 83 HB2 GLU 400 2HB GLU 400 15.301 18.808 4.712 84 HB3 GLU 400 1HB GLU 400 16.658 19.779 4.163 85 HG2 GLU 400 2HG GLU 400 16.888 18.518 2.364 86 HG3 GLU 400 1HG GLU 400 17.059 17.070 3.355 87 H GLU 401 H GLU 401 14.747 18.782 6.061 88 HA GLU 401 HA GLU 401 14.472 17.835 8.685 89 HB2 GLU 401 2HB GLU 401 12.873 19.162 6.799 90 HB3 GLU 401 1HB GLU 401 11.991 17.697 7.202 91 HG2 GLU 401 2HG GLU 401 13.090 19.499 9.328 92 HG3 GLU 401 1HG GLU 401 11.525 19.799 8.572 93 H ASP 402 H ASP 402 15.108 15.788 9.058 94 HA ASP 402 HA ASP 402 14.819 13.581 7.390 95 HB2 ASP 402 2HB ASP 402 16.198 13.946 9.602 96 HB3 ASP 402 1HB ASP 402 14.783 13.217 10.356 97 H GLU 403 H GLU 403 13.284 12.191 6.968 98 HA GLU 403 HA GLU 403 10.603 12.623 7.284 99 HB2 GLU 403 2HB GLU 403 12.213 10.133 6.828 100 HB3 GLU 403 1HB GLU 403 10.464 10.047 6.960 101 HG2 GLU 403 2HG GLU 403 11.231 10.129 4.638 102 HG3 GLU 403 1HG GLU 403 10.200 11.494 5.053 103 H ASP 404 H ASP 404 9.153 12.436 8.873 104 HA ASP 404 HA ASP 404 9.846 11.954 11.532 105 HB2 ASP 404 2HB ASP 404 7.140 11.771 10.181 106 HB3 ASP 404 1HB ASP 404 7.377 11.753 11.922 107 H ASP 405 H ASP 405 10.158 10.102 12.643 108 HA ASP 405 HA ASP 405 9.394 7.595 11.300 109 HB2 ASP 405 2HB ASP 405 11.533 8.214 13.345 110 HB3 ASP 405 1HB ASP 405 11.030 6.564 12.993 111 H GLU 406 H GLU 406 8.542 9.652 13.769 112 HA GLU 406 HA GLU 406 7.037 7.505 15.091 113 HB2 GLU 406 2HB GLU 406 6.998 9.371 16.999 114 HB3 GLU 406 1HB GLU 406 8.258 8.153 16.898 115 HG2 GLU 406 2HG GLU 406 9.114 10.400 17.339 116 HG3 GLU 406 1HG GLU 406 9.745 9.708 15.851 117 H ASP 407 H ASP 407 5.217 8.652 16.436 118 HA ASP 407 HA ASP 407 3.231 9.582 16.398 119 HB2 ASP 407 2HB ASP 407 4.643 11.671 16.320 120 HB3 ASP 407 1HB ASP 407 4.237 11.737 14.607 121 H PHE 408 H PHE 408 3.059 7.529 14.996 122 HA PHE 408 HA PHE 408 1.663 8.307 12.525 123 HB2 PHE 408 2HB PHE 408 3.284 5.807 13.115 124 HB3 PHE 408 1HB PHE 408 2.110 5.877 11.823 125 HD1 PHE 408 1HD PHE 408 5.120 7.735 13.048 126 HD2 PHE 408 2HD PHE 408 2.830 6.375 9.734 127 HE1 PHE 408 1HE PHE 408 6.827 8.595 11.508 128 HE2 PHE 408 2HE PHE 408 4.530 7.236 8.195 129 HZ PHE 408 HZ PHE 408 6.526 8.351 9.079 130 H VAL 409 H VAL 409 -0.376 7.873 12.542 131 HA VAL 409 HA VAL 409 -1.488 6.546 14.847 132 HB VAL 409 HB VAL 409 -3.664 7.367 13.759 133 HG11 VAL 409 1HG1 VAL 409 -1.438 9.248 14.399 134 HG12 VAL 409 2HG1 VAL 409 -2.425 8.388 15.584 135 HG13 VAL 409 3HG1 VAL 409 -3.161 9.600 14.530 136 HG21 VAL 409 1HG2 VAL 409 -2.886 7.681 11.499 137 HG22 VAL 409 2HG2 VAL 409 -1.676 8.829 12.071 138 HG23 VAL 409 3HG2 VAL 409 -3.392 9.214 12.206 139 H GLU 410 H GLU 410 -1.972 4.533 14.881 140 HA GLU 410 HA GLU 410 -1.341 2.827 12.818 141 HB2 GLU 410 2HB GLU 410 -1.622 2.260 15.280 142 HB3 GLU 410 1HB GLU 410 -3.346 2.114 14.949 143 HG2 GLU 410 2HG GLU 410 -2.998 0.025 14.309 144 HG3 GLU 410 1HG GLU 410 -2.055 0.641 12.953 145 H VAL 411 H VAL 411 -2.282 2.262 11.074 146 HA VAL 411 HA VAL 411 -5.020 3.073 10.525 147 HB VAL 411 HB VAL 411 -3.008 1.918 8.561 148 HG11 VAL 411 1HG1 VAL 411 -4.455 3.032 6.921 149 HG12 VAL 411 2HG1 VAL 411 -5.532 3.541 8.222 150 HG13 VAL 411 3HG1 VAL 411 -5.343 1.827 7.854 151 HG21 VAL 411 1HG2 VAL 411 -2.550 4.169 7.904 152 HG22 VAL 411 2HG2 VAL 411 -2.083 3.864 9.578 153 HG23 VAL 411 3HG2 VAL 411 -3.556 4.769 9.221 154 HA PRO 412 HA PRO 412 -6.075 -1.185 11.491 155 HB2 PRO 412 2HB PRO 412 -8.745 -0.812 11.373 156 HB3 PRO 412 1HB PRO 412 -7.781 -0.242 12.743 157 HG2 PRO 412 2HG PRO 412 -8.760 1.290 10.354 158 HG3 PRO 412 1HG PRO 412 -8.819 1.744 12.069 159 HD2 PRO 412 2HD PRO 412 -6.921 2.680 10.400 160 HD3 PRO 412 1HD PRO 412 -6.593 2.351 12.114 161 H GLU 413 H GLU 413 -7.598 -2.785 10.425 162 HA GLU 413 HA GLU 413 -7.313 -2.529 7.526 163 HB2 GLU 413 2HB GLU 413 -8.131 -4.997 9.047 164 HB3 GLU 413 1HB GLU 413 -7.484 -4.894 7.417 165 HG2 GLU 413 2HG GLU 413 -5.320 -4.269 8.271 166 HG3 GLU 413 1HG GLU 413 -5.952 -4.234 9.920 167 H LYS 414 H LYS 414 -9.050 -3.238 6.142 168 HA LYS 414 HA LYS 414 -11.706 -2.844 7.337 169 HB2 LYS 414 2HB LYS 414 -10.511 -1.831 4.822 170 HB3 LYS 414 1HB LYS 414 -12.224 -2.234 4.815 171 HG2 LYS 414 2HG LYS 414 -12.757 -0.400 5.944 172 HG3 LYS 414 1HG LYS 414 -11.487 -0.676 7.140 173 HD2 LYS 414 2HD LYS 414 -11.035 1.399 6.036 174 HD3 LYS 414 1HD LYS 414 -9.843 0.212 5.504 175 HE2 LYS 414 2HE LYS 414 -10.997 -0.119 3.440 176 HE3 LYS 414 1HE LYS 414 -12.346 0.885 3.976 177 HZ1 LYS 414 1HZ LYS 414 -10.207 1.740 2.541 178 HZ2 LYS 414 2HZ LYS 414 -9.821 2.238 4.111 179 HZ3 LYS 414 3HZ LYS 414 -11.269 2.742 3.397 180 H GLU 415 H GLU 415 -9.756 -4.628 5.094 181 HA GLU 415 HA GLU 415 -9.936 -6.611 4.072 182 HB2 GLU 415 2HB GLU 415 -12.210 -7.344 5.907 183 HB3 GLU 415 1HB GLU 415 -11.013 -8.405 5.180 184 HG2 GLU 415 2HG GLU 415 -9.310 -7.099 6.602 185 HG3 GLU 415 1HG GLU 415 -10.719 -6.552 7.508 186 H GLY 416 H GLY 416 -13.361 -6.394 4.928 187 HA2 GLY 416 2HA GLY 416 -14.098 -6.912 2.177 188 HA3 GLY 416 1HA GLY 416 -15.203 -6.691 3.533 189 H TYR 417 H TYR 417 -15.665 -4.574 4.254 190 HA TYR 417 HA TYR 417 -16.151 -2.371 4.066 191 HB2 TYR 417 2HB TYR 417 -13.603 -2.343 3.838 192 HB3 TYR 417 1HB TYR 417 -13.877 -2.122 2.117 193 HD1 TYR 417 1HD TYR 417 -14.890 -0.631 5.386 194 HD2 TYR 417 2HD TYR 417 -13.944 0.018 1.294 195 HE1 TYR 417 1HE TYR 417 -14.995 1.793 5.753 196 HE2 TYR 417 2HE TYR 417 -14.051 2.444 1.642 197 HH TYR 417 HH TYR 417 -15.014 4.051 3.166 198 H GLU 418 H GLU 418 -14.887 -2.905 0.793 199 HA GLU 418 HA GLU 418 -15.759 -2.634 -1.265 200 HB2 GLU 418 2HB GLU 418 -17.882 -3.887 0.258 201 HB3 GLU 418 1HB GLU 418 -18.530 -2.858 -1.014 202 HG2 GLU 418 2HG GLU 418 -16.527 -5.077 -1.380 203 HG3 GLU 418 1HG GLU 418 -18.241 -5.141 -1.791 204 HA PRO 419 HA PRO 419 -16.793 1.719 -0.456 205 HB2 PRO 419 2HB PRO 419 -14.898 2.343 -2.545 206 HB3 PRO 419 1HB PRO 419 -14.777 2.673 -0.816 207 HG2 PRO 419 2HG PRO 419 -13.183 0.884 -2.150 208 HG3 PRO 419 1HG PRO 419 -13.545 0.790 -0.418 209 HD2 PRO 419 2HD PRO 419 -14.752 -0.730 -2.696 210 HD3 PRO 419 1HD PRO 419 -14.315 -1.295 -1.068 211 H HIS 420 H HIS 420 -18.541 0.167 -1.980 212 HA HIS 420 HA HIS 420 -18.722 1.554 -4.559 213 HB2 HIS 420 2HB HIS 420 -20.464 -0.085 -5.144 214 HB3 HIS 420 1HB HIS 420 -18.932 -0.847 -4.745 215 HD1 HIS 420 1HD HIS 420 -19.280 -2.933 -3.408 216 HD2 HIS 420 2HD HIS 420 -22.187 -0.051 -2.624 217 HE1 HIS 420 1HE HIS 420 -20.880 -3.953 -1.729 218 H ILE 421 H ILE 421 -21.353 1.359 -5.053 219 HA ILE 421 HA ILE 421 -22.662 2.932 -3.004 220 HB ILE 421 HB ILE 421 -22.574 4.822 -4.144 221 HG12 ILE 421 2HG1 ILE 421 -23.922 3.303 -6.377 222 HG13 ILE 421 1HG1 ILE 421 -24.711 4.234 -5.109 223 HG21 ILE 421 1HG2 ILE 421 -21.310 3.296 -6.410 224 HG22 ILE 421 2HG2 ILE 421 -20.466 4.056 -5.059 225 HG23 ILE 421 3HG2 ILE 421 -21.328 5.051 -6.234 226 HD11 ILE 421 1HD1 ILE 421 -24.682 5.414 -7.244 227 HD12 ILE 421 2HD1 ILE 421 -22.919 5.361 -7.241 228 HD13 ILE 421 3HD1 ILE 421 -23.776 6.280 -6.004 229 HA PRO 422 HA PRO 422 -26.006 0.733 -5.497 230 HB2 PRO 422 2HB PRO 422 -25.268 -0.606 -7.802 231 HB3 PRO 422 1HB PRO 422 -25.842 1.061 -7.741 232 HG2 PRO 422 2HG PRO 422 -23.228 0.127 -8.425 233 HG3 PRO 422 1HG PRO 422 -23.790 1.803 -8.325 234 HD2 PRO 422 2HD PRO 422 -22.256 0.213 -6.354 235 HD3 PRO 422 1HD PRO 422 -22.342 1.973 -6.565 236 H ASP 423 H ASP 423 -25.802 -0.737 -3.654 237 HA ASP 423 HA ASP 423 -24.423 -3.232 -4.049 238 HB2 ASP 423 2HB ASP 423 -24.815 -2.156 -1.774 239 HB3 ASP 423 1HB ASP 423 -26.495 -2.672 -1.921 240 H HIS 424 H HIS 424 -25.371 -5.249 -4.442 241 HA HIS 424 HA HIS 424 -28.165 -5.552 -4.873 242 HB2 HIS 424 2HB HIS 424 -28.050 -5.925 -7.348 243 HB3 HIS 424 1HB HIS 424 -27.802 -4.252 -6.869 244 HD1 HIS 424 1HD HIS 424 -24.984 -3.720 -6.633 245 HD2 HIS 424 2HD HIS 424 -26.326 -6.677 -9.222 246 HE1 HIS 424 1HE HIS 424 -23.110 -4.133 -8.277 247 H LEU 425 H LEU 425 -27.793 -7.552 -7.005 248 HA LEU 425 HA LEU 425 -27.137 -9.766 -5.325 249 HB2 LEU 425 2HB LEU 425 -27.372 -10.885 -7.779 250 HB3 LEU 425 1HB LEU 425 -28.719 -10.548 -6.710 251 HG LEU 425 HG LEU 425 -28.707 -8.220 -7.973 252 HD11 LEU 425 1HD1 LEU 425 -27.523 -10.089 -10.021 253 HD12 LEU 425 2HD1 LEU 425 -26.706 -8.704 -9.295 254 HD13 LEU 425 3HD1 LEU 425 -28.121 -8.457 -10.321 255 HD21 LEU 425 1HD2 LEU 425 -30.578 -9.768 -7.899 256 HD22 LEU 425 2HD2 LEU 425 -29.820 -10.768 -9.138 257 HD23 LEU 425 3HD2 LEU 425 -30.361 -9.136 -9.530 258 H ARG 426 H ARG 426 -24.927 -8.903 -4.947 259 HA ARG 426 HA ARG 426 -22.982 -9.251 -7.043 260 HB2 ARG 426 2HB ARG 426 -21.344 -8.674 -5.305 261 HB3 ARG 426 1HB ARG 426 -22.672 -7.521 -5.333 262 HG2 ARG 426 2HG ARG 426 -23.696 -8.830 -3.441 263 HG3 ARG 426 1HG ARG 426 -22.174 -9.714 -3.340 264 HD2 ARG 426 2HD ARG 426 -21.074 -7.399 -3.157 265 HD3 ARG 426 1HD ARG 426 -22.702 -6.807 -2.809 266 HE ARG 426 HE ARG 426 -21.246 -8.814 -1.190 267 HH11 ARG 426 1HH1 ARG 426 -23.583 -6.192 -1.477 268 HH12 ARG 426 2HH1 ARG 426 -23.980 -6.210 0.210 269 HH21 ARG 426 1HH2 ARG 426 -21.798 -8.867 1.002 270 HH22 ARG 426 2HH2 ARG 426 -22.959 -7.726 1.626 271 HA PRO 427 HA PRO 427 -22.180 -13.540 -6.336 272 HB2 PRO 427 2HB PRO 427 -19.410 -13.145 -7.175 273 HB3 PRO 427 1HB PRO 427 -20.713 -13.998 -8.003 274 HG2 PRO 427 2HG PRO 427 -19.707 -11.653 -8.905 275 HG3 PRO 427 1HG PRO 427 -21.401 -12.120 -9.137 276 HD2 PRO 427 2HD PRO 427 -20.208 -10.256 -7.115 277 HD3 PRO 427 1HD PRO 427 -21.703 -10.085 -8.062 278 H GLU 428 H GLU 428 -22.295 -13.229 -3.988 279 HA GLU 428 HA GLU 428 -19.687 -13.101 -2.659 280 HB2 GLU 428 2HB GLU 428 -21.799 -11.687 -1.994 281 HB3 GLU 428 1HB GLU 428 -22.307 -13.172 -1.202 282 HG2 GLU 428 2HG GLU 428 -20.959 -12.806 0.515 283 HG3 GLU 428 1HG GLU 428 -19.575 -12.544 -0.546 284 H TYR 429 H TYR 429 -18.773 -15.035 -2.453 285 HA TYR 429 HA TYR 429 -20.432 -17.232 -1.465 286 HB2 TYR 429 2HB TYR 429 -20.168 -17.576 -3.880 287 HB3 TYR 429 1HB TYR 429 -18.420 -17.461 -3.715 288 HD1 TYR 429 1HD TYR 429 -17.242 -19.439 -3.668 289 HD2 TYR 429 2HD TYR 429 -21.256 -19.424 -2.257 290 HE1 TYR 429 1HE TYR 429 -17.107 -21.861 -3.278 291 HE2 TYR 429 2HE TYR 429 -21.132 -21.847 -1.863 292 HH TYR 429 HH TYR 429 -18.181 -23.563 -1.904 293 H GLY 430 H GLY 430 -19.426 -18.597 -0.026 294 HA2 GLY 430 2HA GLY 430 -16.715 -18.953 0.388 295 HA3 GLY 430 1HA GLY 430 -17.184 -17.577 1.379 296 H LEU 431 H LEU 431 -17.383 -20.998 0.938 297 HA LEU 431 HA LEU 431 -18.467 -21.265 3.649 298 HB2 LEU 431 2HB LEU 431 -19.546 -22.640 1.186 299 HB3 LEU 431 1HB LEU 431 -19.857 -23.216 2.811 300 HG LEU 431 HG LEU 431 -20.646 -20.474 1.829 301 HD11 LEU 431 1HD1 LEU 431 -22.919 -21.372 1.689 302 HD12 LEU 431 2HD1 LEU 431 -22.303 -22.983 2.057 303 HD13 LEU 431 3HD1 LEU 431 -21.830 -22.178 0.561 304 HD21 LEU 431 1HD2 LEU 431 -21.433 -22.048 4.279 305 HD22 LEU 431 2HD2 LEU 431 -22.069 -20.469 3.819 306 HD23 LEU 431 3HD2 LEU 431 -20.367 -20.644 4.245 307 H GLU 432 H GLU 432 -18.174 -23.855 1.359 308 HA GLU 432 HA GLU 432 -16.746 -25.568 1.050 309 HB2 GLU 432 2HB GLU 432 -14.855 -23.597 2.291 310 HB3 GLU 432 1HB GLU 432 -14.328 -25.223 1.886 311 HG2 GLU 432 2HG GLU 432 -13.859 -23.424 0.177 312 HG3 GLU 432 1HG GLU 432 -14.658 -24.879 -0.414 313 H ALA 433 H ALA 433 -16.275 -24.262 4.319 314 HA ALA 433 HA ALA 433 -16.416 -27.027 5.342 315 HB1 ALA 433 1HB ALA 433 -15.120 -26.281 7.259 316 HB2 ALA 433 2HB ALA 433 -15.100 -24.636 6.627 317 HB3 ALA 433 3HB ALA 433 -14.260 -25.923 5.761 318 H ALA 434 H ALA 434 -18.556 -25.009 4.715 319 HA ALA 434 HA ALA 434 -20.109 -25.403 7.105 320 HB1 ALA 434 1HB ALA 434 -20.643 -23.084 7.498 321 HB2 ALA 434 2HB ALA 434 -19.638 -22.580 6.139 322 HB3 ALA 434 3HB ALA 434 -18.892 -23.280 7.576 323 H MET 1 2HT MET 1 0.192 -9.573 -9.416 324 HA MET 1 HA MET 1 -0.976 -11.346 -10.434 325 HB2 MET 1 2HB MET 1 -0.316 -10.628 -12.766 326 HB3 MET 1 1HB MET 1 1.220 -11.444 -12.505 327 HG2 MET 1 2HG MET 1 0.114 -13.560 -12.257 328 HG3 MET 1 1HG MET 1 -1.467 -12.786 -12.333 329 HE1 MET 1 1HE MET 1 -1.055 -10.633 -14.586 330 HE2 MET 1 2HE MET 1 -2.476 -11.679 -14.572 331 HE3 MET 1 3HE MET 1 -1.528 -11.499 -16.048 332 H ALA 2 H ALA 2 2.568 -11.586 -10.997 333 HA ALA 2 HA ALA 2 3.138 -12.905 -8.567 334 HB1 ALA 2 1HB ALA 2 3.471 -15.192 -9.317 335 HB2 ALA 2 2HB ALA 2 2.888 -14.769 -10.927 336 HB3 ALA 2 3HB ALA 2 1.790 -14.711 -9.547 337 H THR 3 H THR 3 4.235 -10.933 -10.520 338 HA THR 3 HA THR 3 6.822 -12.222 -11.109 339 HB THR 3 HB THR 3 6.548 -9.631 -12.331 340 HG1 THR 3 1HG THR 3 4.306 -10.003 -12.281 341 HG21 THR 3 1HG2 THR 3 6.929 -10.930 -14.384 342 HG22 THR 3 2HG2 THR 3 6.680 -12.423 -13.478 343 HG23 THR 3 3HG2 THR 3 8.056 -11.383 -13.106 344 H SER 4 H SER 4 7.465 -9.115 -11.534 345 HA SER 4 HA SER 4 8.019 -8.454 -8.731 346 HB2 SER 4 2HB SER 4 10.094 -8.100 -10.897 347 HB3 SER 4 1HB SER 4 10.312 -7.968 -9.152 348 HG SER 4 HG SER 4 9.403 -10.355 -9.468 349 H SER 5 H SER 5 6.275 -7.597 -11.087 350 HA SER 5 HA SER 5 6.221 -4.803 -10.555 351 HB2 SER 5 2HB SER 5 7.091 -5.670 -13.338 352 HB3 SER 5 1HB SER 5 6.578 -4.040 -12.908 353 HG SER 5 HG SER 5 8.522 -4.974 -11.244 354 H GLU 6 H GLU 6 4.204 -5.730 -9.912 355 HA GLU 6 HA GLU 6 2.500 -6.900 -11.927 356 HB2 GLU 6 2HB GLU 6 1.715 -6.247 -9.102 357 HB3 GLU 6 1HB GLU 6 1.058 -7.485 -10.164 358 HG2 GLU 6 2HG GLU 6 3.661 -7.466 -8.692 359 HG3 GLU 6 1HG GLU 6 2.358 -8.649 -8.624 360 H GLU 7 H GLU 7 0.131 -6.284 -11.640 361 HA GLU 7 HA GLU 7 -0.355 -3.860 -12.870 362 HB2 GLU 7 2HB GLU 7 -2.325 -5.315 -11.099 363 HB3 GLU 7 1HB GLU 7 -2.684 -4.296 -12.485 364 HG2 GLU 7 2HG GLU 7 -2.956 -6.325 -13.451 365 HG3 GLU 7 1HG GLU 7 -1.232 -6.113 -13.743 366 H VAL 8 H VAL 8 -0.065 -1.884 -12.108 367 HA VAL 8 HA VAL 8 0.035 -1.378 -9.273 368 HB VAL 8 HB VAL 8 0.159 0.695 -11.463 369 HG11 VAL 8 1HG1 VAL 8 -0.137 1.500 -9.163 370 HG12 VAL 8 2HG1 VAL 8 1.427 1.967 -9.832 371 HG13 VAL 8 3HG1 VAL 8 1.323 0.633 -8.683 372 HG21 VAL 8 1HG2 VAL 8 2.426 -0.945 -10.332 373 HG22 VAL 8 2HG2 VAL 8 2.602 0.441 -11.409 374 HG23 VAL 8 3HG2 VAL 8 1.803 -1.023 -11.980 375 H LEU 9 H LEU 9 -1.870 -1.353 -8.276 376 HA LEU 9 HA LEU 9 -4.276 -0.428 -9.543 377 HB2 LEU 9 2HB LEU 9 -3.947 -0.949 -6.602 378 HB3 LEU 9 1HB LEU 9 -5.402 -1.070 -7.570 379 HG LEU 9 HG LEU 9 -3.042 -2.944 -7.757 380 HD11 LEU 9 1HD1 LEU 9 -4.503 -4.562 -6.663 381 HD12 LEU 9 2HD1 LEU 9 -5.752 -3.329 -6.494 382 HD13 LEU 9 3HD1 LEU 9 -4.222 -3.157 -5.634 383 HD21 LEU 9 1HD2 LEU 9 -4.276 -2.726 -9.862 384 HD22 LEU 9 2HD2 LEU 9 -5.779 -3.097 -9.015 385 HD23 LEU 9 3HD2 LEU 9 -4.509 -4.315 -9.133 386 H LEU 10 H LEU 10 -1.896 0.857 -7.322 387 HA LEU 10 HA LEU 10 -3.291 3.451 -7.464 388 HB2 LEU 10 2HB LEU 10 -3.597 2.179 -5.261 389 HB3 LEU 10 1HB LEU 10 -1.905 2.537 -4.960 390 HG LEU 10 HG LEU 10 -2.518 4.989 -5.305 391 HD11 LEU 10 1HD1 LEU 10 -5.291 3.879 -4.919 392 HD12 LEU 10 2HD1 LEU 10 -4.678 4.676 -6.369 393 HD13 LEU 10 3HD1 LEU 10 -4.847 5.585 -4.867 394 HD21 LEU 10 1HD2 LEU 10 -3.696 3.499 -2.968 395 HD22 LEU 10 2HD2 LEU 10 -3.310 5.220 -3.008 396 HD23 LEU 10 3HD2 LEU 10 -2.020 4.023 -3.127 397 H ILE 11 H ILE 11 -2.023 4.971 -8.262 398 HA ILE 11 HA ILE 11 0.889 4.616 -8.062 399 HB ILE 11 HB ILE 11 -0.705 6.201 -10.085 400 HG12 ILE 11 2HG1 ILE 11 0.914 3.654 -10.317 401 HG13 ILE 11 1HG1 ILE 11 -0.832 3.806 -10.479 402 HG21 ILE 11 1HG2 ILE 11 1.462 6.597 -11.190 403 HG22 ILE 11 2HG2 ILE 11 2.280 5.830 -9.828 404 HG23 ILE 11 3HG2 ILE 11 1.385 7.330 -9.588 405 HD11 ILE 11 1HD1 ILE 11 0.238 3.559 -12.639 406 HD12 ILE 11 2HD1 ILE 11 1.226 4.987 -12.328 407 HD13 ILE 11 3HD1 ILE 11 -0.524 5.142 -12.496 408 H VAL 12 H VAL 12 1.739 5.782 -6.509 409 HA VAL 12 HA VAL 12 0.656 8.466 -5.938 410 HB VAL 12 HB VAL 12 2.311 6.665 -4.149 411 HG11 VAL 12 1HG1 VAL 12 0.861 9.216 -3.464 412 HG12 VAL 12 2HG1 VAL 12 2.596 9.098 -3.757 413 HG13 VAL 12 3HG1 VAL 12 1.873 8.246 -2.393 414 HG21 VAL 12 1HG2 VAL 12 0.086 5.755 -4.511 415 HG22 VAL 12 2HG2 VAL 12 -0.634 7.302 -4.064 416 HG23 VAL 12 3HG2 VAL 12 0.252 6.361 -2.864 417 H LYS 13 H LYS 13 2.063 10.212 -5.996 418 HA LYS 13 HA LYS 13 4.766 9.560 -6.984 419 HB2 LYS 13 2HB LYS 13 2.818 11.658 -7.784 420 HB3 LYS 13 1HB LYS 13 4.528 12.067 -7.838 421 HG2 LYS 13 2HG LYS 13 3.147 9.832 -9.309 422 HG3 LYS 13 1HG LYS 13 3.861 11.293 -9.999 423 HD2 LYS 13 2HD LYS 13 6.074 10.561 -9.200 424 HD3 LYS 13 1HD LYS 13 5.344 9.084 -8.572 425 HE2 LYS 13 2HE LYS 13 4.641 8.483 -10.851 426 HE3 LYS 13 1HE LYS 13 5.411 9.948 -11.462 427 HZ1 LYS 13 1HZ LYS 13 6.674 7.522 -10.348 428 HZ2 LYS 13 2HZ LYS 13 7.505 9.006 -10.328 429 HZ3 LYS 13 3HZ LYS 13 7.010 8.329 -11.798 430 H LYS 14 H LYS 14 6.430 11.147 -6.524 431 HA LYS 14 HA LYS 14 7.814 12.085 -5.015 432 HB2 LYS 14 2HB LYS 14 5.313 13.640 -4.992 433 HB3 LYS 14 1HB LYS 14 6.481 14.017 -3.729 434 HG2 LYS 14 2HG LYS 14 7.778 13.825 -6.290 435 HG3 LYS 14 1HG LYS 14 6.427 14.959 -6.362 436 HD2 LYS 14 2HD LYS 14 7.978 15.303 -3.943 437 HD3 LYS 14 1HD LYS 14 8.984 15.460 -5.385 438 HE2 LYS 14 2HE LYS 14 8.149 17.628 -4.848 439 HE3 LYS 14 1HE LYS 14 7.295 17.071 -6.286 440 HZ1 LYS 14 1HZ LYS 14 5.361 16.658 -5.053 441 HZ2 LYS 14 2HZ LYS 14 5.918 18.156 -4.474 442 HZ3 LYS 14 3HZ LYS 14 6.176 16.746 -3.567 443 H VAL 15 H VAL 15 7.826 10.024 -3.882 444 HA VAL 15 HA VAL 15 6.824 10.328 -1.128 445 HB VAL 15 HB VAL 15 6.968 7.749 -2.704 446 HG11 VAL 15 1HG1 VAL 15 7.581 7.411 -0.361 447 HG12 VAL 15 2HG1 VAL 15 6.015 6.684 -0.724 448 HG13 VAL 15 3HG1 VAL 15 6.096 8.217 0.143 449 HG21 VAL 15 1HG2 VAL 15 4.557 7.694 -2.491 450 HG22 VAL 15 2HG2 VAL 15 5.062 9.184 -3.290 451 HG23 VAL 15 3HG2 VAL 15 4.581 9.212 -1.593 452 H ARG 16 H ARG 16 8.354 10.128 0.392 453 HA ARG 16 HA ARG 16 11.044 9.363 -0.512 454 HB2 ARG 16 2HB ARG 16 10.098 11.173 1.695 455 HB3 ARG 16 1HB ARG 16 11.764 10.630 1.564 456 HG2 ARG 16 2HG ARG 16 12.114 11.809 -0.415 457 HG3 ARG 16 1HG ARG 16 10.383 12.018 -0.698 458 HD2 ARG 16 2HD ARG 16 10.187 13.652 0.932 459 HD3 ARG 16 1HD ARG 16 11.664 13.150 1.752 460 HE ARG 16 HE ARG 16 11.917 14.282 -0.937 461 HH11 ARG 16 1HH1 ARG 16 12.221 14.651 2.533 462 HH12 ARG 16 2HH1 ARG 16 13.250 16.058 2.430 463 HH21 ARG 16 1HH2 ARG 16 13.269 16.123 -1.079 464 HH22 ARG 16 2HH2 ARG 16 13.849 16.893 0.378 465 H GLN 17 H GLN 17 12.208 7.856 0.472 466 HA GLN 17 HA GLN 17 11.075 6.555 2.861 467 HB2 GLN 17 2HB GLN 17 11.349 5.322 0.474 468 HB3 GLN 17 1HB GLN 17 12.959 5.043 1.125 469 HG2 GLN 17 2HG GLN 17 10.390 4.297 2.506 470 HG3 GLN 17 1HG GLN 17 11.390 3.195 1.563 471 HE21 GLN 17 1HE2 GLN 17 13.304 2.450 2.418 472 HE22 GLN 17 2HE2 GLN 17 13.733 2.659 4.077 473 H LYS 18 H LYS 18 12.211 7.381 4.476 474 HA LYS 18 HA LYS 18 13.885 8.290 5.701 475 HB2 LYS 18 2HB LYS 18 14.729 5.632 4.773 476 HB3 LYS 18 1HB LYS 18 15.970 6.610 5.547 477 HG2 LYS 18 2HG LYS 18 13.294 5.902 6.745 478 HG3 LYS 18 1HG LYS 18 14.824 5.110 7.119 479 HD2 LYS 18 2HD LYS 18 14.801 6.600 8.836 480 HD3 LYS 18 1HD LYS 18 15.532 7.642 7.616 481 HE2 LYS 18 2HE LYS 18 13.446 8.697 7.155 482 HE3 LYS 18 1HE LYS 18 12.565 7.511 8.116 483 HZ1 LYS 18 1HZ LYS 18 12.770 9.523 9.359 484 HZ2 LYS 18 2HZ LYS 18 14.446 9.578 9.132 485 HZ3 LYS 18 3HZ LYS 18 13.752 8.355 10.095 486 H LYS 19 H LYS 19 13.958 10.032 4.008 487 HA LYS 19 HA LYS 19 15.103 11.630 2.952 488 HB2 LYS 19 2HB LYS 19 17.133 10.123 4.413 489 HB3 LYS 19 1HB LYS 19 17.746 11.211 3.168 490 HG2 LYS 19 2HG LYS 19 15.858 12.016 5.373 491 HG3 LYS 19 1HG LYS 19 17.611 12.214 5.440 492 HD2 LYS 19 2HD LYS 19 17.617 13.835 3.781 493 HD3 LYS 19 1HD LYS 19 16.052 13.328 3.142 494 HE2 LYS 19 2HE LYS 19 16.260 14.431 5.915 495 HE3 LYS 19 1HE LYS 19 16.230 15.521 4.528 496 HZ1 LYS 19 1HZ LYS 19 14.180 13.417 4.729 497 HZ2 LYS 19 2HZ LYS 19 14.102 14.951 4.003 498 HZ3 LYS 19 3HZ LYS 19 14.031 14.812 5.684 499 H GLN 20 H GLN 20 14.202 9.518 1.344 500 HA GLN 20 HA GLN 20 16.002 9.879 -0.934 501 HB2 GLN 20 2HB GLN 20 15.296 7.300 0.324 502 HB3 GLN 20 1HB GLN 20 15.051 7.358 -1.416 503 HG2 GLN 20 2HG GLN 20 17.192 6.643 -1.391 504 HG3 GLN 20 1HG GLN 20 17.495 8.379 -1.348 505 HE21 GLN 20 1HE2 GLN 20 16.242 6.575 1.362 506 HE22 GLN 20 2HE2 GLN 20 17.648 6.721 2.355 507 H ASP 21 H ASP 21 14.771 10.836 -2.473 508 HA ASP 21 HA ASP 21 11.890 10.719 -2.256 509 HB2 ASP 21 2HB ASP 21 13.737 12.580 -3.318 510 HB3 ASP 21 1HB ASP 21 12.720 12.048 -4.655 511 H GLY 22 H GLY 22 10.470 10.114 -3.908 512 HA2 GLY 22 2HA GLY 22 11.151 8.910 -6.327 513 HA3 GLY 22 1HA GLY 22 11.085 7.639 -5.114 514 H ALA 23 H ALA 23 9.272 6.589 -5.770 515 HA ALA 23 HA ALA 23 6.751 7.985 -5.315 516 HB1 ALA 23 1HB ALA 23 7.171 8.252 -7.712 517 HB2 ALA 23 2HB ALA 23 5.780 7.210 -7.409 518 HB3 ALA 23 3HB ALA 23 7.326 6.503 -7.877 519 H LEU 24 H LEU 24 5.011 6.613 -4.857 520 HA LEU 24 HA LEU 24 5.823 3.873 -4.148 521 HB2 LEU 24 2HB LEU 24 5.253 5.422 -2.259 522 HB3 LEU 24 1HB LEU 24 3.621 5.504 -2.894 523 HG LEU 24 HG LEU 24 3.673 2.919 -2.686 524 HD11 LEU 24 1HD1 LEU 24 5.915 3.719 -0.857 525 HD12 LEU 24 2HD1 LEU 24 5.981 2.600 -2.221 526 HD13 LEU 24 3HD1 LEU 24 5.066 2.175 -0.773 527 HD21 LEU 24 1HD2 LEU 24 3.561 4.661 -0.229 528 HD22 LEU 24 2HD2 LEU 24 2.828 3.069 -0.412 529 HD23 LEU 24 3HD2 LEU 24 2.243 4.424 -1.377 530 H TYR 25 H TYR 25 4.756 2.238 -5.035 531 HA TYR 25 HA TYR 25 2.253 2.840 -6.471 532 HB2 TYR 25 2HB TYR 25 4.362 0.855 -7.340 533 HB3 TYR 25 1HB TYR 25 2.904 1.295 -8.219 534 HD1 TYR 25 1HD TYR 25 6.321 2.246 -7.398 535 HD2 TYR 25 2HD TYR 25 2.740 3.496 -9.324 536 HE1 TYR 25 1HE TYR 25 7.575 4.002 -8.575 537 HE2 TYR 25 2HE TYR 25 3.985 5.256 -10.508 538 HH TYR 25 HH TYR 25 7.397 5.359 -10.582 539 H LEU 26 H LEU 26 0.563 1.732 -5.751 540 HA LEU 26 HA LEU 26 0.976 -0.577 -4.025 541 HB2 LEU 26 2HB LEU 26 -1.563 0.842 -4.826 542 HB3 LEU 26 1HB LEU 26 -1.477 -0.496 -3.698 543 HG LEU 26 HG LEU 26 -0.677 2.340 -3.330 544 HD11 LEU 26 1HD1 LEU 26 -1.750 1.979 -1.154 545 HD12 LEU 26 2HD1 LEU 26 -2.024 0.289 -1.582 546 HD13 LEU 26 3HD1 LEU 26 -2.822 1.571 -2.494 547 HD21 LEU 26 1HD2 LEU 26 0.649 1.733 -1.361 548 HD22 LEU 26 2HD2 LEU 26 1.382 1.184 -2.869 549 HD23 LEU 26 3HD2 LEU 26 0.535 0.037 -1.832 550 H MET 27 H MET 27 0.639 -2.656 -4.654 551 HA MET 27 HA MET 27 -0.512 -3.027 -7.339 552 HB2 MET 27 2HB MET 27 1.394 -5.025 -6.249 553 HB3 MET 27 1HB MET 27 1.092 -4.527 -7.910 554 HG2 MET 27 2HG MET 27 2.223 -2.362 -7.358 555 HG3 MET 27 1HG MET 27 2.706 -3.094 -5.829 556 HE1 MET 27 1HE MET 27 4.137 -1.916 -8.697 557 HE2 MET 27 2HE MET 27 3.156 -3.004 -9.680 558 HE3 MET 27 3HE MET 27 4.909 -3.197 -9.631 559 H ALA 28 H ALA 28 -1.315 -5.246 -7.695 560 HA ALA 28 HA ALA 28 -3.482 -5.830 -6.158 561 HB1 ALA 28 1HB ALA 28 -3.592 -7.948 -7.334 562 HB2 ALA 28 2HB ALA 28 -1.905 -7.777 -7.823 563 HB3 ALA 28 3HB ALA 28 -3.117 -6.643 -8.422 564 H GLU 29 H GLU 29 -0.278 -7.408 -5.841 565 HA GLU 29 HA GLU 29 -1.299 -8.668 -3.374 566 HB2 GLU 29 2HB GLU 29 1.175 -9.677 -4.670 567 HB3 GLU 29 1HB GLU 29 -0.064 -10.555 -3.786 568 HG2 GLU 29 2HG GLU 29 -0.537 -11.337 -5.837 569 HG3 GLU 29 1HG GLU 29 -1.478 -9.846 -5.941 570 H ARG 30 H ARG 30 0.614 -6.095 -4.238 571 HA ARG 30 HA ARG 30 2.060 -6.249 -1.746 572 HB2 ARG 30 2HB ARG 30 4.289 -6.291 -2.618 573 HB3 ARG 30 1HB ARG 30 3.420 -7.666 -3.283 574 HG2 ARG 30 2HG ARG 30 2.978 -6.119 -5.306 575 HG3 ARG 30 1HG ARG 30 4.304 -5.157 -4.651 576 HD2 ARG 30 2HD ARG 30 5.416 -6.556 -6.100 577 HD3 ARG 30 1HD ARG 30 5.560 -7.433 -4.577 578 HE ARG 30 HE ARG 30 3.247 -8.333 -5.851 579 HH11 ARG 30 1HH1 ARG 30 6.703 -8.376 -6.339 580 HH12 ARG 30 2HH1 ARG 30 6.685 -9.829 -7.290 581 HH21 ARG 30 1HH2 ARG 30 3.192 -10.251 -7.083 582 HH22 ARG 30 2HH2 ARG 30 4.690 -10.907 -7.694 583 H ILE 31 H ILE 31 3.620 -4.447 -1.492 584 HA ILE 31 HA ILE 31 2.769 -2.046 -2.958 585 HB ILE 31 HB ILE 31 1.823 -1.770 -0.788 586 HG12 ILE 31 2HG1 ILE 31 4.500 -0.361 -0.683 587 HG13 ILE 31 1HG1 ILE 31 3.129 0.180 -1.647 588 HG21 ILE 31 1HG2 ILE 31 2.916 -3.554 0.389 589 HG22 ILE 31 2HG2 ILE 31 3.134 -2.054 1.294 590 HG23 ILE 31 3HG2 ILE 31 4.460 -2.703 0.328 591 HD11 ILE 31 1HD1 ILE 31 3.289 1.443 0.408 592 HD12 ILE 31 2HD1 ILE 31 3.211 -0.045 1.351 593 HD13 ILE 31 3HD1 ILE 31 1.818 0.469 0.398 594 H ALA 32 H ALA 32 4.440 -0.962 -3.884 595 HA ALA 32 HA ALA 32 7.125 -1.552 -2.862 596 HB1 ALA 32 1HB ALA 32 6.339 -1.630 -5.764 597 HB2 ALA 32 2HB ALA 32 6.744 -3.017 -4.753 598 HB3 ALA 32 3HB ALA 32 7.975 -1.811 -5.130 599 H TRP 33 H TRP 33 8.635 0.001 -3.067 600 HA TRP 33 HA TRP 33 7.700 2.632 -4.002 601 HB2 TRP 33 2HB TRP 33 7.983 2.645 -1.584 602 HB3 TRP 33 1HB TRP 33 9.592 1.957 -1.737 603 HD1 TRP 33 HD TRP 33 7.685 5.238 -2.316 604 HE1 TRP 33 1HE TRP 33 9.388 7.169 -2.428 605 HE3 TRP 33 3HE TRP 33 12.013 2.516 -2.197 606 HZ2 TRP 33 2HZ TRP 33 12.183 7.489 -2.460 607 HZ3 TRP 33 3HZ TRP 33 14.160 3.715 -2.271 608 HH2 TRP 33 HH TRP 33 14.239 6.154 -2.403 609 H ALA 34 H ALA 34 8.972 3.706 -5.419 610 HA ALA 34 HA ALA 34 11.642 2.625 -5.988 611 HB1 ALA 34 1HB ALA 34 9.546 3.181 -8.085 612 HB2 ALA 34 2HB ALA 34 10.098 1.584 -7.576 613 HB3 ALA 34 3HB ALA 34 11.212 2.685 -8.386 614 HA PRO 35 HA PRO 35 12.623 6.985 -5.812 615 HB2 PRO 35 2HB PRO 35 14.964 6.090 -7.414 616 HB3 PRO 35 1HB PRO 35 14.920 7.022 -5.914 617 HG2 PRO 35 2HG PRO 35 15.653 4.450 -5.926 618 HG3 PRO 35 1HG PRO 35 14.712 5.140 -4.592 619 HD2 PRO 35 2HD PRO 35 13.827 3.364 -6.819 620 HD3 PRO 35 1HD PRO 35 13.272 3.428 -5.134 621 H GLU 36 H GLU 36 12.504 8.695 -7.286 622 HA GLU 36 HA GLU 36 11.060 8.213 -9.635 623 HB2 GLU 36 2HB GLU 36 11.235 10.343 -8.159 624 HB3 GLU 36 1HB GLU 36 12.593 10.751 -9.200 625 HG2 GLU 36 2HG GLU 36 10.372 11.729 -9.847 626 HG3 GLU 36 1HG GLU 36 11.226 10.852 -11.115 627 H GLY 37 H GLY 37 11.555 8.424 -11.795 628 HA2 GLY 37 2HA GLY 37 13.075 8.894 -13.593 629 HA3 GLY 37 1HA GLY 37 14.410 8.517 -12.519 630 H LYS 38 H LYS 38 13.356 6.038 -11.513 631 HA LYS 38 HA LYS 38 13.568 4.429 -13.975 632 HB2 LYS 38 2HB LYS 38 14.227 2.986 -11.528 633 HB3 LYS 38 1HB LYS 38 15.102 3.082 -13.045 634 HG2 LYS 38 2HG LYS 38 16.619 4.005 -11.610 635 HG3 LYS 38 1HG LYS 38 15.777 5.452 -12.165 636 HD2 LYS 38 2HD LYS 38 16.181 5.287 -9.673 637 HD3 LYS 38 1HD LYS 38 14.519 5.603 -10.168 638 HE2 LYS 38 2HE LYS 38 15.251 2.763 -9.863 639 HE3 LYS 38 1HE LYS 38 15.228 3.712 -8.378 640 HZ1 LYS 38 1HZ LYS 38 12.964 4.345 -8.813 641 HZ2 LYS 38 2HZ LYS 38 13.080 2.652 -8.884 642 HZ3 LYS 38 3HZ LYS 38 12.974 3.556 -10.310 643 H ASP 39 H ASP 39 12.226 2.687 -14.272 644 HA ASP 39 HA ASP 39 9.740 2.759 -12.793 645 HB2 ASP 39 2HB ASP 39 8.856 1.388 -14.524 646 HB3 ASP 39 1HB ASP 39 9.935 2.533 -15.318 647 H ARG 40 H ARG 40 12.534 1.366 -12.010 648 HA ARG 40 HA ARG 40 11.335 -1.181 -11.172 649 HB2 ARG 40 2HB ARG 40 13.611 -0.986 -12.465 650 HB3 ARG 40 1HB ARG 40 14.256 -0.576 -10.881 651 HG2 ARG 40 2HG ARG 40 14.574 -2.807 -10.772 652 HG3 ARG 40 1HG ARG 40 12.899 -2.783 -10.222 653 HD2 ARG 40 2HD ARG 40 13.726 -3.165 -13.098 654 HD3 ARG 40 1HD ARG 40 13.406 -4.492 -11.985 655 HE ARG 40 HE ARG 40 11.112 -3.890 -11.973 656 HH11 ARG 40 1HH1 ARG 40 13.030 -2.038 -14.234 657 HH12 ARG 40 2HH1 ARG 40 11.656 -1.424 -15.104 658 HH21 ARG 40 1HH2 ARG 40 9.292 -3.135 -13.173 659 HH22 ARG 40 2HH2 ARG 40 9.556 -2.042 -14.507 660 H PHE 41 H PHE 41 10.973 -1.609 -9.122 661 HA PHE 41 HA PHE 41 11.273 0.506 -7.181 662 HB2 PHE 41 2HB PHE 41 10.154 -2.171 -6.480 663 HB3 PHE 41 1HB PHE 41 9.626 -0.568 -5.977 664 HD1 PHE 41 1HD PHE 41 9.183 -3.252 -8.326 665 HD2 PHE 41 2HD PHE 41 8.375 0.865 -7.610 666 HE1 PHE 41 1HE PHE 41 7.431 -3.298 -10.051 667 HE2 PHE 41 2HE PHE 41 6.622 0.824 -9.332 668 HZ PHE 41 HZ PHE 41 6.148 -1.258 -10.557 669 H THR 42 H THR 42 12.224 0.272 -5.143 670 HA THR 42 HA THR 42 14.382 -1.727 -5.039 671 HB THR 42 HB THR 42 15.171 0.016 -3.182 672 HG1 THR 42 1HG THR 42 14.023 1.788 -3.257 673 HG21 THR 42 1HG2 THR 42 16.456 -0.632 -5.168 674 HG22 THR 42 2HG2 THR 42 16.552 1.106 -4.887 675 HG23 THR 42 3HG2 THR 42 15.498 0.475 -6.151 676 H ILE 43 H ILE 43 11.706 -0.267 -3.352 677 HA ILE 43 HA ILE 43 12.060 -2.104 -1.082 678 HB ILE 43 HB ILE 43 10.332 0.368 -1.363 679 HG12 ILE 43 2HG1 ILE 43 12.827 0.675 -1.036 680 HG13 ILE 43 1HG1 ILE 43 11.800 1.430 0.178 681 HG21 ILE 43 1HG2 ILE 43 9.207 -1.312 -0.001 682 HG22 ILE 43 2HG2 ILE 43 9.733 0.055 0.982 683 HG23 ILE 43 3HG2 ILE 43 10.640 -1.457 1.016 684 HD11 ILE 43 1HD1 ILE 43 13.328 -1.146 0.471 685 HD12 ILE 43 2HD1 ILE 43 12.232 -0.474 1.680 686 HD13 ILE 43 3HD1 ILE 43 13.697 0.400 1.234 687 H SER 44 H SER 44 10.987 -3.972 -1.418 688 HA SER 44 HA SER 44 8.303 -3.802 -2.610 689 HB2 SER 44 2HB SER 44 9.902 -4.849 -4.174 690 HB3 SER 44 1HB SER 44 10.306 -6.050 -2.951 691 HG SER 44 HG SER 44 8.307 -6.931 -3.140 692 H HIS 45 H HIS 45 6.871 -4.148 -1.064 693 HA HIS 45 HA HIS 45 7.405 -6.298 0.884 694 HB2 HIS 45 2HB HIS 45 6.118 -3.609 1.261 695 HB3 HIS 45 1HB HIS 45 5.723 -4.948 2.329 696 HD1 HIS 45 1HD HIS 45 8.189 -6.117 3.285 697 HD2 HIS 45 2HD HIS 45 7.990 -2.086 2.321 698 HE1 HIS 45 1HE HIS 45 10.084 -4.998 4.526 699 H MET 46 H MET 46 6.014 -7.923 0.843 700 HA MET 46 HA MET 46 3.664 -7.671 -0.848 701 HB2 MET 46 2HB MET 46 4.570 -10.049 0.803 702 HB3 MET 46 1HB MET 46 3.377 -10.060 -0.486 703 HG2 MET 46 2HG MET 46 6.237 -9.301 -0.967 704 HG3 MET 46 1HG MET 46 5.683 -10.973 -1.013 705 HE1 MET 46 1HE MET 46 3.964 -11.924 -2.762 706 HE2 MET 46 2HE MET 46 3.149 -10.944 -3.980 707 HE3 MET 46 3HE MET 46 2.778 -10.715 -2.271 708 H TYR 47 H TYR 47 1.548 -7.818 -0.048 709 HA TYR 47 HA TYR 47 1.107 -6.697 2.499 710 HB2 TYR 47 2HB TYR 47 -0.856 -8.251 0.796 711 HB3 TYR 47 1HB TYR 47 -1.270 -7.194 2.140 712 HD1 TYR 47 1HD TYR 47 0.513 -4.879 1.595 713 HD2 TYR 47 2HD TYR 47 -1.851 -7.234 -1.041 714 HE1 TYR 47 1HE TYR 47 0.357 -2.977 0.044 715 HE2 TYR 47 2HE TYR 47 -2.012 -5.341 -2.597 716 HH TYR 47 HH TYR 47 -1.280 -3.296 -3.083 717 H ALA 48 H ALA 48 1.763 -9.856 1.491 718 HA ALA 48 HA ALA 48 0.500 -11.277 3.624 719 HB1 ALA 48 1HB ALA 48 1.738 -13.205 2.787 720 HB2 ALA 48 2HB ALA 48 2.682 -12.151 1.735 721 HB3 ALA 48 3HB ALA 48 0.948 -12.336 1.471 722 H ASP 49 H ASP 49 3.222 -9.305 3.503 723 HA ASP 49 HA ASP 49 4.474 -10.718 5.766 724 HB2 ASP 49 2HB ASP 49 5.837 -8.411 4.451 725 HB3 ASP 49 1HB ASP 49 6.534 -9.855 5.168 726 H ILE 50 H ILE 50 2.461 -8.176 5.010 727 HA ILE 50 HA ILE 50 3.437 -6.454 7.166 728 HB ILE 50 HB ILE 50 1.201 -5.904 5.213 729 HG12 ILE 50 2HG1 ILE 50 4.024 -4.836 5.103 730 HG13 ILE 50 1HG1 ILE 50 3.521 -6.268 4.211 731 HG21 ILE 50 1HG2 ILE 50 1.539 -3.571 5.898 732 HG22 ILE 50 2HG2 ILE 50 2.753 -4.098 7.064 733 HG23 ILE 50 3HG2 ILE 50 1.072 -4.594 7.255 734 HD11 ILE 50 1HD1 ILE 50 1.929 -4.969 2.955 735 HD12 ILE 50 2HD1 ILE 50 3.528 -4.232 2.844 736 HD13 ILE 50 3HD1 ILE 50 2.308 -3.534 3.907 737 H LYS 51 H LYS 51 2.360 -6.155 9.026 738 HA LYS 51 HA LYS 51 0.108 -7.911 9.606 739 HB2 LYS 51 2HB LYS 51 2.092 -7.820 11.095 740 HB3 LYS 51 1HB LYS 51 1.725 -6.141 11.446 741 HG2 LYS 51 2HG LYS 51 -0.306 -6.746 12.547 742 HG3 LYS 51 1HG LYS 51 -0.137 -8.429 12.036 743 HD2 LYS 51 2HD LYS 51 0.535 -8.199 14.354 744 HD3 LYS 51 1HD LYS 51 1.936 -8.597 13.360 745 HE2 LYS 51 2HE LYS 51 1.575 -5.737 13.561 746 HE3 LYS 51 1HE LYS 51 1.685 -6.475 15.158 747 HZ1 LYS 51 1HZ LYS 51 3.726 -7.662 14.209 748 HZ2 LYS 51 2HZ LYS 51 3.875 -6.020 14.584 749 HZ3 LYS 51 3HZ LYS 51 3.682 -6.501 12.973 750 H CYS 52 H CYS 52 0.952 -4.501 10.191 751 HA CYS 52 HA CYS 52 -1.774 -3.695 9.586 752 HB2 CYS 52 2HB CYS 52 -1.720 -2.232 11.708 753 HB3 CYS 52 1HB CYS 52 -2.095 -3.939 11.905 754 HG CYS 52 HG CYS 52 0.084 -2.231 13.498 755 H GLN 53 H GLN 53 -1.741 -1.025 9.974 756 HA GLN 53 HA GLN 53 0.883 -0.145 9.003 757 HB2 GLN 53 2HB GLN 53 -0.592 1.303 7.386 758 HB3 GLN 53 1HB GLN 53 -0.257 -0.367 6.976 759 HG2 GLN 53 2HG GLN 53 -2.386 -1.073 7.624 760 HG3 GLN 53 1HG GLN 53 -2.710 0.423 8.492 761 HE21 GLN 53 1HE2 GLN 53 -1.569 1.995 6.245 762 HE22 GLN 53 2HE2 GLN 53 -2.804 1.996 5.040 763 H LYS 54 H LYS 54 1.011 2.274 9.150 764 HA LYS 54 HA LYS 54 -0.926 3.539 10.965 765 HB2 LYS 54 2HB LYS 54 2.060 3.832 11.451 766 HB3 LYS 54 1HB LYS 54 0.737 4.419 12.433 767 HG2 LYS 54 2HG LYS 54 0.360 1.683 12.385 768 HG3 LYS 54 1HG LYS 54 2.110 1.892 12.524 769 HD2 LYS 54 2HD LYS 54 1.046 3.802 14.230 770 HD3 LYS 54 1HD LYS 54 0.026 2.383 14.474 771 HE2 LYS 54 2HE LYS 54 3.022 2.315 14.532 772 HE3 LYS 54 1HE LYS 54 2.021 2.550 15.963 773 HZ1 LYS 54 1HZ LYS 54 1.926 0.187 14.169 774 HZ2 LYS 54 2HZ LYS 54 0.978 0.413 15.554 775 HZ3 LYS 54 3HZ LYS 54 2.660 0.234 15.694 776 H ILE 55 H ILE 55 -0.500 5.919 10.978 777 HA ILE 55 HA ILE 55 0.972 6.831 8.568 778 HB ILE 55 HB ILE 55 -1.051 8.440 8.261 779 HG12 ILE 55 2HG1 ILE 55 -2.258 6.250 9.927 780 HG13 ILE 55 1HG1 ILE 55 -2.103 7.942 10.355 781 HG21 ILE 55 1HG2 ILE 55 -2.260 6.821 6.854 782 HG22 ILE 55 2HG2 ILE 55 -1.366 5.506 7.617 783 HG23 ILE 55 3HG2 ILE 55 -0.515 6.695 6.632 784 HD11 ILE 55 1HD1 ILE 55 -3.691 8.517 8.613 785 HD12 ILE 55 2HD1 ILE 55 -4.360 7.398 9.801 786 HD13 ILE 55 3HD1 ILE 55 -3.862 6.808 8.215 787 H SER 56 H SER 56 2.180 8.743 9.029 788 HA SER 56 HA SER 56 1.882 9.854 11.642 789 HB2 SER 56 2HB SER 56 3.210 11.849 10.469 790 HB3 SER 56 1HB SER 56 4.018 10.352 10.921 791 HG SER 56 HG SER 56 4.004 11.415 8.596 792 HA PRO 57 HA PRO 57 -2.082 11.528 10.715 793 HB2 PRO 57 2HB PRO 57 -2.283 12.889 13.089 794 HB3 PRO 57 1HB PRO 57 -2.604 11.164 12.884 795 HG2 PRO 57 2HG PRO 57 -0.117 12.520 13.854 796 HG3 PRO 57 1HG PRO 57 -0.941 11.088 14.508 797 HD2 PRO 57 2HD PRO 57 1.217 10.840 12.991 798 HD3 PRO 57 1HD PRO 57 -0.145 9.712 12.831 799 H GLU 58 H GLU 58 -3.150 13.655 10.713 800 HA GLU 58 HA GLU 58 -1.675 15.707 9.529 801 HB2 GLU 58 2HB GLU 58 -4.400 15.519 10.762 802 HB3 GLU 58 1HB GLU 58 -3.764 17.108 10.355 803 HG2 GLU 58 2HG GLU 58 -5.231 15.931 8.635 804 HG3 GLU 58 1HG GLU 58 -3.720 16.643 8.077 805 H GLY 59 H GLY 59 -0.668 17.492 10.352 806 HA2 GLY 59 2HA GLY 59 -0.367 19.069 12.209 807 HA3 GLY 59 1HA GLY 59 -0.561 17.697 13.298 808 H LYS 60 H LYS 60 1.011 15.877 11.664 809 HA LYS 60 HA LYS 60 3.625 16.554 12.604 810 HB2 LYS 60 2HB LYS 60 2.473 14.324 10.953 811 HB3 LYS 60 1HB LYS 60 4.209 14.580 10.915 812 HG2 LYS 60 2HG LYS 60 2.593 14.068 13.409 813 HG3 LYS 60 1HG LYS 60 3.518 12.852 12.528 814 HD2 LYS 60 2HD LYS 60 5.221 15.074 13.057 815 HD3 LYS 60 1HD LYS 60 4.403 14.633 14.553 816 HE2 LYS 60 2HE LYS 60 5.342 12.516 14.604 817 HE3 LYS 60 1HE LYS 60 5.665 12.498 12.872 818 HZ1 LYS 60 1HZ LYS 60 7.665 12.753 14.275 819 HZ2 LYS 60 2HZ LYS 60 7.073 14.241 14.813 820 HZ3 LYS 60 3HZ LYS 60 7.462 14.033 13.176 821 H ALA 61 H ALA 61 5.391 17.275 11.332 822 HA ALA 61 HA ALA 61 4.720 19.074 9.274 823 HB1 ALA 61 1HB ALA 61 6.691 19.354 10.704 824 HB2 ALA 61 2HB ALA 61 7.118 19.394 8.993 825 HB3 ALA 61 3HB ALA 61 7.437 17.945 9.948 826 H LYS 62 H LYS 62 5.402 15.706 9.214 827 HA LYS 62 HA LYS 62 5.293 15.807 6.284 828 HB2 LYS 62 2HB LYS 62 7.098 14.080 7.983 829 HB3 LYS 62 1HB LYS 62 6.814 13.798 6.272 830 HG2 LYS 62 2HG LYS 62 8.717 15.010 6.109 831 HG3 LYS 62 1HG LYS 62 7.562 16.342 6.121 832 HD2 LYS 62 2HD LYS 62 9.158 17.002 7.679 833 HD3 LYS 62 1HD LYS 62 7.883 16.305 8.680 834 HE2 LYS 62 2HE LYS 62 9.194 14.130 8.546 835 HE3 LYS 62 1HE LYS 62 10.519 15.093 7.899 836 HZ1 LYS 62 1HZ LYS 62 10.960 15.040 10.148 837 HZ2 LYS 62 2HZ LYS 62 9.331 15.160 10.600 838 HZ3 LYS 62 3HZ LYS 62 10.149 16.522 9.993 839 H ILE 63 H ILE 63 3.342 15.038 5.811 840 HA ILE 63 HA ILE 63 1.966 13.098 7.401 841 HB ILE 63 HB ILE 63 1.394 14.086 4.596 842 HG12 ILE 63 2HG1 ILE 63 -0.385 14.938 6.746 843 HG13 ILE 63 1HG1 ILE 63 1.275 15.468 6.999 844 HG21 ILE 63 1HG2 ILE 63 -0.373 12.571 6.512 845 HG22 ILE 63 2HG2 ILE 63 0.328 11.940 5.022 846 HG23 ILE 63 3HG2 ILE 63 -0.871 13.232 4.955 847 HD11 ILE 63 1HD1 ILE 63 -0.043 17.140 5.820 848 HD12 ILE 63 2HD1 ILE 63 -0.376 15.977 4.536 849 HD13 ILE 63 3HD1 ILE 63 1.274 16.535 4.814 850 H GLN 64 H GLN 64 2.460 10.961 7.423 851 HA GLN 64 HA GLN 64 3.478 9.801 4.905 852 HB2 GLN 64 2HB GLN 64 4.893 9.423 7.538 853 HB3 GLN 64 1HB GLN 64 5.391 8.789 5.980 854 HG2 GLN 64 2HG GLN 64 6.094 10.869 5.222 855 HG3 GLN 64 1HG GLN 64 5.137 11.736 6.422 856 HE21 GLN 64 1HE2 GLN 64 5.922 10.037 8.593 857 HE22 GLN 64 2HE2 GLN 64 7.568 10.413 8.972 858 H LEU 65 H LEU 65 3.834 7.431 5.066 859 HA LEU 65 HA LEU 65 1.772 6.169 6.757 860 HB2 LEU 65 2HB LEU 65 1.367 6.093 4.275 861 HB3 LEU 65 1HB LEU 65 2.844 5.160 4.118 862 HG LEU 65 HG LEU 65 1.597 3.641 5.931 863 HD11 LEU 65 1HD1 LEU 65 -0.639 4.849 4.323 864 HD12 LEU 65 2HD1 LEU 65 -0.377 5.042 6.055 865 HD13 LEU 65 3HD1 LEU 65 -0.770 3.455 5.394 866 HD21 LEU 65 1HD2 LEU 65 0.896 2.202 4.119 867 HD22 LEU 65 2HD2 LEU 65 2.489 2.887 3.804 868 HD23 LEU 65 3HD2 LEU 65 1.072 3.533 2.977 869 H GLN 66 H GLN 66 2.328 4.289 7.838 870 HA GLN 66 HA GLN 66 5.139 3.428 7.678 871 HB2 GLN 66 2HB GLN 66 4.622 4.787 9.709 872 HB3 GLN 66 1HB GLN 66 3.430 3.582 10.166 873 HG2 GLN 66 2HG GLN 66 5.089 1.933 10.513 874 HG3 GLN 66 1HG GLN 66 6.334 2.933 9.763 875 HE21 GLN 66 1HE2 GLN 66 7.276 4.565 10.912 876 HE22 GLN 66 2HE2 GLN 66 7.056 4.771 12.619 877 H LEU 67 H LEU 67 5.280 1.359 7.090 878 HA LEU 67 HA LEU 67 2.935 -0.361 7.388 879 HB2 LEU 67 2HB LEU 67 5.495 -0.617 5.831 880 HB3 LEU 67 1HB LEU 67 4.384 -1.958 6.022 881 HG LEU 67 HG LEU 67 3.824 0.662 4.645 882 HD11 LEU 67 1HD1 LEU 67 3.607 -0.737 2.666 883 HD12 LEU 67 2HD1 LEU 67 3.982 -2.169 3.624 884 HD13 LEU 67 3HD1 LEU 67 5.205 -0.921 3.389 885 HD21 LEU 67 1HD2 LEU 67 1.995 -1.697 5.097 886 HD22 LEU 67 2HD2 LEU 67 1.629 -0.269 4.129 887 HD23 LEU 67 3HD2 LEU 67 1.850 -0.118 5.872 888 H VAL 68 H VAL 68 2.802 -1.464 9.257 889 HA VAL 68 HA VAL 68 5.284 -2.275 10.566 890 HB VAL 68 HB VAL 68 2.437 -2.467 11.577 891 HG11 VAL 68 1HG1 VAL 68 5.059 -3.062 12.952 892 HG12 VAL 68 2HG1 VAL 68 3.836 -4.246 12.490 893 HG13 VAL 68 3HG1 VAL 68 3.476 -3.044 13.730 894 HG21 VAL 68 1HG2 VAL 68 4.686 -0.684 12.481 895 HG22 VAL 68 2HG2 VAL 68 3.013 -0.663 13.039 896 HG23 VAL 68 3HG2 VAL 68 3.399 -0.177 11.387 897 H LEU 69 H LEU 69 6.097 -4.060 9.811 898 HA LEU 69 HA LEU 69 4.570 -6.030 8.480 899 HB2 LEU 69 2HB LEU 69 7.392 -6.181 9.509 900 HB3 LEU 69 1HB LEU 69 6.649 -7.308 8.387 901 HG LEU 69 HG LEU 69 7.700 -4.582 7.919 902 HD11 LEU 69 1HD1 LEU 69 7.545 -7.119 6.324 903 HD12 LEU 69 2HD1 LEU 69 8.951 -6.470 7.168 904 HD13 LEU 69 3HD1 LEU 69 8.301 -5.629 5.761 905 HD21 LEU 69 1HD2 LEU 69 6.352 -4.267 5.909 906 HD22 LEU 69 2HD2 LEU 69 5.385 -4.197 7.382 907 HD23 LEU 69 3HD2 LEU 69 5.355 -5.645 6.376 908 H HIS 70 H HIS 70 5.031 -8.452 9.190 909 HA HIS 70 HA HIS 70 3.388 -8.927 11.381 910 HB2 HIS 70 2HB HIS 70 5.294 -10.718 9.913 911 HB3 HIS 70 1HB HIS 70 4.268 -11.304 11.220 912 HD1 HIS 70 1HD HIS 70 1.683 -9.656 10.411 913 HD2 HIS 70 2HD HIS 70 4.022 -11.914 7.839 914 HE1 HIS 70 1HE HIS 70 0.215 -10.233 8.442 915 H ALA 71 H ALA 71 6.948 -9.226 11.285 916 HA ALA 71 HA ALA 71 7.127 -10.085 13.993 917 HB1 ALA 71 1HB ALA 71 9.233 -8.915 12.183 918 HB2 ALA 71 2HB ALA 71 8.864 -10.626 12.401 919 HB3 ALA 71 3HB ALA 71 9.539 -9.693 13.736 920 H GLY 72 H GLY 72 6.829 -6.995 12.528 921 HA2 GLY 72 2HA GLY 72 6.082 -5.213 14.098 922 HA3 GLY 72 1HA GLY 72 7.421 -5.712 15.128 923 H ASP 73 H ASP 73 7.819 -5.794 11.771 924 HA ASP 73 HA ASP 73 9.987 -3.923 11.798 925 HB2 ASP 73 2HB ASP 73 8.754 -5.026 9.293 926 HB3 ASP 73 1HB ASP 73 10.447 -4.734 9.647 927 H THR 74 H THR 74 10.002 -2.045 10.227 928 HA THR 74 HA THR 74 7.321 -1.118 9.570 929 HB THR 74 HB THR 74 8.075 1.193 10.559 930 HG1 THR 74 1HG THR 74 9.477 -0.627 12.245 931 HG21 THR 74 1HG2 THR 74 6.966 0.662 12.671 932 HG22 THR 74 2HG2 THR 74 7.140 -1.060 12.331 933 HG23 THR 74 3HG2 THR 74 6.114 -0.059 11.304 934 H THR 75 H THR 75 7.202 -0.018 7.766 935 HA THR 75 HA THR 75 9.676 0.998 6.527 936 HB THR 75 HB THR 75 7.283 0.324 4.870 937 HG1 THR 75 1HG THR 75 8.751 -1.848 4.874 938 HG21 THR 75 1HG2 THR 75 10.256 -0.004 4.436 939 HG22 THR 75 2HG2 THR 75 9.288 1.361 3.881 940 HG23 THR 75 3HG2 THR 75 8.994 -0.251 3.228 941 H ASN 76 H ASN 76 9.690 3.165 6.480 942 HA ASN 76 HA ASN 76 7.189 4.626 6.782 943 HB2 ASN 76 2HB ASN 76 10.055 5.239 7.234 944 HB3 ASN 76 1HB ASN 76 9.014 6.582 6.785 945 HD21 ASN 76 1HD2 ASN 76 9.475 7.441 8.852 946 HD22 ASN 76 2HD2 ASN 76 8.632 6.871 10.242 947 H PHE 77 H PHE 77 6.233 5.770 5.272 948 HA PHE 77 HA PHE 77 7.697 6.342 2.784 949 HB2 PHE 77 2HB PHE 77 4.835 5.410 3.084 950 HB3 PHE 77 1HB PHE 77 5.517 6.028 1.582 951 HD1 PHE 77 1HD PHE 77 4.644 3.133 3.162 952 HD2 PHE 77 2HD PHE 77 7.949 4.848 1.103 953 HE1 PHE 77 1HE PHE 77 5.476 0.881 2.625 954 HE2 PHE 77 2HE PHE 77 8.783 2.600 0.558 955 HZ PHE 77 HZ PHE 77 7.544 0.612 1.319 956 H HIS 78 H HIS 78 8.066 8.432 2.890 957 HA HIS 78 HA HIS 78 6.182 10.265 4.125 958 HB2 HIS 78 2HB HIS 78 8.505 10.609 4.630 959 HB3 HIS 78 1HB HIS 78 8.942 10.590 2.931 960 HD1 HIS 78 1HD HIS 78 10.131 12.941 3.510 961 HD2 HIS 78 2HD HIS 78 5.976 12.904 3.698 962 HE1 HIS 78 1HE HIS 78 9.390 15.355 3.437 963 H PHE 79 H PHE 79 4.670 11.312 3.037 964 HA PHE 79 HA PHE 79 4.651 11.220 0.144 965 HB2 PHE 79 2HB PHE 79 2.691 12.304 2.183 966 HB3 PHE 79 1HB PHE 79 2.427 12.389 0.445 967 HD1 PHE 79 1HD PHE 79 1.935 10.391 -0.836 968 HD2 PHE 79 2HD PHE 79 2.558 10.205 3.370 969 HE1 PHE 79 1HE PHE 79 0.980 8.124 -0.797 970 HE2 PHE 79 2HE PHE 79 1.602 7.939 3.414 971 HZ PHE 79 HZ PHE 79 0.810 6.896 1.330 972 H SER 80 H SER 80 6.477 12.511 -0.278 973 HA SER 80 HA SER 80 6.672 15.201 0.687 974 HB2 SER 80 2HB SER 80 8.484 15.137 -1.285 975 HB3 SER 80 1HB SER 80 8.783 14.421 0.297 976 HG SER 80 HG SER 80 9.047 13.164 -1.878 977 H ASN 81 H ASN 81 4.445 14.101 -1.234 978 HA ASN 81 HA ASN 81 4.695 16.076 -3.357 979 HB2 ASN 81 2HB ASN 81 3.789 13.605 -3.561 980 HB3 ASN 81 1HB ASN 81 2.278 14.342 -3.032 981 HD21 ASN 81 1HD2 ASN 81 1.366 13.819 -5.041 982 HD22 ASN 81 2HD2 ASN 81 1.717 14.775 -6.449 983 H GLU 82 H GLU 82 4.450 17.985 -2.260 984 HA GLU 82 HA GLU 82 2.646 18.659 -0.295 985 HB2 GLU 82 2HB GLU 82 3.026 20.969 -0.911 986 HB3 GLU 82 1HB GLU 82 4.530 20.073 -1.042 987 HG2 GLU 82 2HG GLU 82 2.747 20.932 -3.316 988 HG3 GLU 82 1HG GLU 82 4.307 21.624 -2.880 989 H SER 83 H SER 83 2.141 18.497 -3.752 990 HA SER 83 HA SER 83 -0.265 19.866 -3.963 991 HB2 SER 83 2HB SER 83 0.646 17.479 -5.583 992 HB3 SER 83 1HB SER 83 -0.548 18.682 -6.073 993 HG SER 83 HG SER 83 2.206 19.185 -5.515 994 H THR 84 H THR 84 0.175 16.319 -3.562 995 HA THR 84 HA THR 84 -2.555 16.265 -2.468 996 HB THR 84 HB THR 84 -2.501 13.860 -3.647 997 HG1 THR 84 1HG THR 84 -0.609 13.972 -4.741 998 HG21 THR 84 1HG2 THR 84 -4.240 15.585 -3.919 999 HG22 THR 84 2HG2 THR 84 -3.829 14.820 -5.454 1000 HG23 THR 84 3HG2 THR 84 -3.210 16.428 -5.076 1001 H ALA 85 H ALA 85 -0.059 16.217 -0.970 1002 HA ALA 85 HA ALA 85 0.877 13.739 -0.215 1003 HB1 ALA 85 1HB ALA 85 1.829 15.871 0.562 1004 HB2 ALA 85 2HB ALA 85 1.561 14.734 1.883 1005 HB3 ALA 85 3HB ALA 85 0.447 16.079 1.638 1006 H VAL 86 H VAL 86 -1.542 15.539 1.658 1007 HA VAL 86 HA VAL 86 -2.329 13.439 3.304 1008 HB VAL 86 HB VAL 86 -3.847 15.886 2.401 1009 HG11 VAL 86 1HG1 VAL 86 -5.330 15.543 4.300 1010 HG12 VAL 86 2HG1 VAL 86 -4.483 14.052 4.711 1011 HG13 VAL 86 3HG1 VAL 86 -5.404 14.157 3.211 1012 HG21 VAL 86 1HG2 VAL 86 -1.818 16.387 3.605 1013 HG22 VAL 86 2HG2 VAL 86 -2.305 15.309 4.914 1014 HG23 VAL 86 3HG2 VAL 86 -3.230 16.775 4.588 1015 H LYS 87 H LYS 87 -3.510 14.426 0.138 1016 HA LYS 87 HA LYS 87 -5.813 12.793 0.065 1017 HB2 LYS 87 2HB LYS 87 -4.148 13.906 -2.203 1018 HB3 LYS 87 1HB LYS 87 -5.724 13.153 -2.396 1019 HG2 LYS 87 2HG LYS 87 -6.436 15.286 -2.325 1020 HG3 LYS 87 1HG LYS 87 -6.345 15.034 -0.581 1021 HD2 LYS 87 2HD LYS 87 -4.345 16.215 -0.391 1022 HD3 LYS 87 1HD LYS 87 -3.967 16.038 -2.106 1023 HE2 LYS 87 2HE LYS 87 -5.901 17.521 -2.620 1024 HE3 LYS 87 1HE LYS 87 -6.108 17.780 -0.890 1025 HZ1 LYS 87 1HZ LYS 87 -3.595 18.407 -2.354 1026 HZ2 LYS 87 2HZ LYS 87 -3.997 18.839 -0.765 1027 HZ3 LYS 87 3HZ LYS 87 -4.821 19.540 -2.062 1028 H GLU 88 H GLU 88 -2.582 12.309 -1.391 1029 HA GLU 88 HA GLU 88 -3.144 9.691 -2.318 1030 HB2 GLU 88 2HB GLU 88 -0.492 11.052 -1.775 1031 HB3 GLU 88 1HB GLU 88 -0.677 9.524 -2.622 1032 HG2 GLU 88 2HG GLU 88 -1.823 10.567 -4.424 1033 HG3 GLU 88 1HG GLU 88 -1.965 12.081 -3.537 1034 H ARG 89 H ARG 89 -2.057 11.001 0.703 1035 HA ARG 89 HA ARG 89 -0.972 8.717 1.905 1036 HB2 ARG 89 2HB ARG 89 -0.910 11.084 2.791 1037 HB3 ARG 89 1HB ARG 89 -2.578 10.871 3.296 1038 HG2 ARG 89 2HG ARG 89 -0.554 8.903 4.229 1039 HG3 ARG 89 1HG ARG 89 -0.573 10.508 4.955 1040 HD2 ARG 89 2HD ARG 89 -2.695 8.392 4.990 1041 HD3 ARG 89 1HD ARG 89 -1.951 9.235 6.346 1042 HE ARG 89 HE ARG 89 -4.122 10.200 4.648 1043 HH11 ARG 89 1HH1 ARG 89 -1.835 10.945 7.213 1044 HH12 ARG 89 2HH1 ARG 89 -2.772 12.282 7.803 1045 HH21 ARG 89 1HH2 ARG 89 -5.347 11.903 5.469 1046 HH22 ARG 89 2HH2 ARG 89 -4.751 12.812 6.845 1047 H ASP 90 H ASP 90 -4.276 10.017 2.043 1048 HA ASP 90 HA ASP 90 -5.367 7.845 3.504 1049 HB2 ASP 90 2HB ASP 90 -6.507 10.116 1.917 1050 HB3 ASP 90 1HB ASP 90 -7.567 8.803 2.426 1051 H ALA 91 H ALA 91 -4.941 8.448 0.055 1052 HA ALA 91 HA ALA 91 -6.613 6.426 -0.927 1053 HB1 ALA 91 1HB ALA 91 -4.051 7.464 -2.140 1054 HB2 ALA 91 2HB ALA 91 -5.646 8.190 -2.336 1055 HB3 ALA 91 3HB ALA 91 -5.324 6.581 -2.985 1056 H VAL 92 H VAL 92 -3.159 6.372 -0.077 1057 HA VAL 92 HA VAL 92 -2.782 3.614 -0.719 1058 HB VAL 92 HB VAL 92 -1.170 5.392 1.135 1059 HG11 VAL 92 1HG1 VAL 92 0.650 3.773 0.757 1060 HG12 VAL 92 2HG1 VAL 92 -0.474 2.744 -0.129 1061 HG13 VAL 92 3HG1 VAL 92 -0.730 3.056 1.587 1062 HG21 VAL 92 1HG2 VAL 92 0.330 5.727 -0.725 1063 HG22 VAL 92 2HG2 VAL 92 -1.299 6.231 -1.174 1064 HG23 VAL 92 3HG2 VAL 92 -0.661 4.690 -1.749 1065 H LYS 93 H LYS 93 -3.589 5.448 2.107 1066 HA LYS 93 HA LYS 93 -3.320 3.481 4.072 1067 HB2 LYS 93 2HB LYS 93 -3.449 5.586 4.939 1068 HB3 LYS 93 1HB LYS 93 -4.635 6.117 3.764 1069 HG2 LYS 93 2HG LYS 93 -6.357 4.830 4.987 1070 HG3 LYS 93 1HG LYS 93 -5.144 4.460 6.218 1071 HD2 LYS 93 2HD LYS 93 -5.036 6.630 6.960 1072 HD3 LYS 93 1HD LYS 93 -5.577 7.295 5.419 1073 HE2 LYS 93 2HE LYS 93 -7.422 5.606 7.031 1074 HE3 LYS 93 1HE LYS 93 -7.158 7.286 7.489 1075 HZ1 LYS 93 1HZ LYS 93 -7.849 7.959 5.258 1076 HZ2 LYS 93 2HZ LYS 93 -9.069 7.085 6.040 1077 HZ3 LYS 93 3HZ LYS 93 -8.143 6.336 4.838 1078 H ASP 94 H ASP 94 -6.221 4.625 2.365 1079 HA ASP 94 HA ASP 94 -7.993 2.789 3.550 1080 HB2 ASP 94 2HB ASP 94 -8.080 4.683 1.276 1081 HB3 ASP 94 1HB ASP 94 -9.282 3.401 1.287 1082 H LEU 95 H LEU 95 -6.176 2.651 0.544 1083 HA LEU 95 HA LEU 95 -7.428 0.222 -0.336 1084 HB2 LEU 95 2HB LEU 95 -6.088 2.056 -1.682 1085 HB3 LEU 95 1HB LEU 95 -4.707 1.058 -1.274 1086 HG LEU 95 HG LEU 95 -5.763 -0.866 -2.379 1087 HD11 LEU 95 1HD1 LEU 95 -7.775 -0.520 -3.747 1088 HD12 LEU 95 2HD1 LEU 95 -7.934 1.106 -3.081 1089 HD13 LEU 95 3HD1 LEU 95 -8.091 -0.298 -2.026 1090 HD21 LEU 95 1HD2 LEU 95 -5.587 -0.032 -4.689 1091 HD22 LEU 95 2HD2 LEU 95 -4.263 0.532 -3.669 1092 HD23 LEU 95 3HD2 LEU 95 -5.589 1.621 -4.076 1093 H LEU 96 H LEU 96 -4.735 1.024 1.734 1094 HA LEU 96 HA LEU 96 -3.560 -1.562 1.649 1095 HB2 LEU 96 2HB LEU 96 -3.241 0.837 3.345 1096 HB3 LEU 96 1HB LEU 96 -2.718 -0.699 4.017 1097 HG LEU 96 HG LEU 96 -1.760 0.536 1.438 1098 HD11 LEU 96 1HD1 LEU 96 0.370 0.720 2.598 1099 HD12 LEU 96 2HD1 LEU 96 -0.363 0.059 4.059 1100 HD13 LEU 96 3HD1 LEU 96 -0.891 1.622 3.436 1101 HD21 LEU 96 1HD2 LEU 96 -1.856 -1.891 1.266 1102 HD22 LEU 96 2HD2 LEU 96 -0.945 -2.042 2.768 1103 HD23 LEU 96 3HD2 LEU 96 -0.187 -1.327 1.344 1104 H GLN 97 H GLN 97 -5.550 0.021 4.240 1105 HA GLN 97 HA GLN 97 -6.060 -2.214 5.743 1106 HB2 GLN 97 2HB GLN 97 -8.461 -1.053 5.959 1107 HB3 GLN 97 1HB GLN 97 -7.018 -0.375 6.709 1108 HG2 GLN 97 2HG GLN 97 -6.811 0.896 4.459 1109 HG3 GLN 97 1HG GLN 97 -8.520 0.504 4.306 1110 HE21 GLN 97 1HE2 GLN 97 -7.062 1.050 7.395 1111 HE22 GLN 97 2HE2 GLN 97 -7.810 2.580 7.690 1112 H GLN 98 H GLN 98 -7.163 -1.520 2.572 1113 HA GLN 98 HA GLN 98 -9.242 -3.527 2.587 1114 HB2 GLN 98 2HB GLN 98 -8.166 -1.520 0.667 1115 HB3 GLN 98 1HB GLN 98 -9.145 -2.831 0.043 1116 HG2 GLN 98 2HG GLN 98 -10.137 -1.304 2.379 1117 HG3 GLN 98 1HG GLN 98 -10.201 -0.550 0.790 1118 HE21 GLN 98 1HE2 GLN 98 -10.637 -3.947 1.605 1119 HE22 GLN 98 2HE2 GLN 98 -12.284 -4.041 1.088 1120 H LEU 99 H LEU 99 -6.024 -3.148 1.073 1121 HA LEU 99 HA LEU 99 -6.217 -5.786 -0.110 1122 HB2 LEU 99 2HB LEU 99 -4.124 -3.647 -0.224 1123 HB3 LEU 99 1HB LEU 99 -3.906 -5.224 -0.959 1124 HG LEU 99 HG LEU 99 -6.202 -3.406 -1.631 1125 HD11 LEU 99 1HD1 LEU 99 -3.518 -3.687 -2.970 1126 HD12 LEU 99 2HD1 LEU 99 -4.191 -2.235 -2.229 1127 HD13 LEU 99 3HD1 LEU 99 -4.915 -2.893 -3.696 1128 HD21 LEU 99 1HD2 LEU 99 -5.035 -5.793 -3.045 1129 HD22 LEU 99 2HD2 LEU 99 -6.380 -4.807 -3.617 1130 HD23 LEU 99 3HD2 LEU 99 -6.550 -5.760 -2.143 1131 H LEU 100 H LEU 100 -4.568 -4.336 2.626 1132 HA LEU 100 HA LEU 100 -2.506 -6.157 3.002 1133 HB2 LEU 100 2HB LEU 100 -4.027 -4.411 4.898 1134 HB3 LEU 100 1HB LEU 100 -2.811 -5.521 5.502 1135 HG LEU 100 HG LEU 100 -2.291 -3.400 3.424 1136 HD11 LEU 100 1HD1 LEU 100 -1.621 -3.375 6.374 1137 HD12 LEU 100 2HD1 LEU 100 -2.826 -2.361 5.582 1138 HD13 LEU 100 3HD1 LEU 100 -1.118 -2.169 5.189 1139 HD21 LEU 100 1HD2 LEU 100 -0.809 -5.295 3.250 1140 HD22 LEU 100 2HD2 LEU 100 -0.452 -5.205 4.974 1141 HD23 LEU 100 3HD2 LEU 100 0.061 -3.904 3.899 1142 HA PRO 101 HA PRO 101 -5.314 -8.807 5.955 1143 HB2 PRO 101 2HB PRO 101 -8.006 -8.525 5.645 1144 HB3 PRO 101 1HB PRO 101 -7.057 -7.634 6.841 1145 HG2 PRO 101 2HG PRO 101 -7.988 -6.758 4.133 1146 HG3 PRO 101 1HG PRO 101 -8.031 -5.874 5.670 1147 HD2 PRO 101 2HD PRO 101 -6.136 -5.402 3.844 1148 HD3 PRO 101 1HD PRO 101 -5.771 -5.367 5.582 1149 H LYS 102 H LYS 102 -5.718 -8.223 2.644 1150 HA LYS 102 HA LYS 102 -7.287 -10.532 2.009 1151 HB2 LYS 102 2HB LYS 102 -7.005 -8.430 0.575 1152 HB3 LYS 102 1HB LYS 102 -5.436 -9.077 0.120 1153 HG2 LYS 102 2HG LYS 102 -6.447 -10.995 -0.895 1154 HG3 LYS 102 1HG LYS 102 -8.038 -10.532 -0.289 1155 HD2 LYS 102 2HD LYS 102 -8.150 -9.787 -2.466 1156 HD3 LYS 102 1HD LYS 102 -7.592 -8.336 -1.635 1157 HE2 LYS 102 2HE LYS 102 -5.604 -10.260 -2.764 1158 HE3 LYS 102 1HE LYS 102 -6.424 -9.123 -3.832 1159 HZ1 LYS 102 1HZ LYS 102 -4.362 -8.178 -3.100 1160 HZ2 LYS 102 2HZ LYS 102 -4.756 -8.443 -1.473 1161 HZ3 LYS 102 3HZ LYS 102 -5.632 -7.319 -2.381 1162 H PHE 103 H PHE 103 -4.094 -10.028 2.946 1163 HA PHE 103 HA PHE 103 -3.363 -12.735 2.050 1164 HB2 PHE 103 2HB PHE 103 -1.536 -10.331 2.228 1165 HB3 PHE 103 1HB PHE 103 -1.020 -11.970 1.850 1166 HD1 PHE 103 1HD PHE 103 -2.304 -8.904 0.566 1167 HD2 PHE 103 2HD PHE 103 -1.950 -13.064 -0.245 1168 HE1 PHE 103 1HE PHE 103 -2.749 -8.472 -1.809 1169 HE2 PHE 103 2HE PHE 103 -2.394 -12.637 -2.629 1170 HZ PHE 103 HZ PHE 103 -2.794 -10.336 -3.412 1171 H LYS 104 H LYS 104 -3.539 -10.425 4.582 1172 HA LYS 104 HA LYS 104 -1.728 -11.580 6.420 1173 HB2 LYS 104 2HB LYS 104 -2.440 -9.338 6.812 1174 HB3 LYS 104 1HB LYS 104 -4.137 -9.788 6.737 1175 HG2 LYS 104 2HG LYS 104 -3.299 -11.311 8.815 1176 HG3 LYS 104 1HG LYS 104 -2.246 -9.904 8.978 1177 HD2 LYS 104 2HD LYS 104 -4.305 -9.636 10.274 1178 HD3 LYS 104 1HD LYS 104 -4.195 -8.435 8.986 1179 HE2 LYS 104 2HE LYS 104 -5.671 -9.877 7.596 1180 HE3 LYS 104 1HE LYS 104 -5.855 -10.956 8.979 1181 HZ1 LYS 104 1HZ LYS 104 -7.585 -9.065 8.511 1182 HZ2 LYS 104 2HZ LYS 104 -6.450 -8.104 9.335 1183 HZ3 LYS 104 3HZ LYS 104 -7.138 -9.452 10.102 1184 H ARG 105 H ARG 105 -2.072 -13.040 8.105 1185 HA ARG 105 HA ARG 105 -3.961 -15.100 7.657 1186 HB2 ARG 105 2HB ARG 105 -2.823 -14.742 10.393 1187 HB3 ARG 105 1HB ARG 105 -3.001 -16.205 9.441 1188 HG2 ARG 105 2HG ARG 105 -0.934 -14.074 8.940 1189 HG3 ARG 105 1HG ARG 105 -0.655 -15.564 9.842 1190 HD2 ARG 105 2HD ARG 105 -0.008 -16.402 7.864 1191 HD3 ARG 105 1HD ARG 105 -1.735 -16.509 7.521 1192 HE ARG 105 HE ARG 105 -1.529 -14.785 6.024 1193 HH11 ARG 105 1HH1 ARG 105 1.429 -15.010 7.903 1194 HH12 ARG 105 2HH1 ARG 105 2.257 -13.809 6.963 1195 HH21 ARG 105 1HH2 ARG 105 -0.428 -13.221 4.799 1196 HH22 ARG 105 2HH2 ARG 105 1.217 -12.801 5.210 1197 H LYS 106 H LYS 106 -6.015 -15.376 8.462 1198 HA LYS 106 HA LYS 106 -7.268 -13.072 9.596 1199 HB2 LYS 106 2HB LYS 106 -8.351 -14.650 7.946 1200 HB3 LYS 106 1HB LYS 106 -8.523 -15.793 9.270 1201 HG2 LYS 106 2HG LYS 106 -10.558 -14.431 8.791 1202 HG3 LYS 106 1HG LYS 106 -9.981 -14.330 10.454 1203 HD2 LYS 106 2HD LYS 106 -8.726 -12.225 9.685 1204 HD3 LYS 106 1HD LYS 106 -9.772 -12.285 8.264 1205 HE2 LYS 106 2HE LYS 106 -11.732 -12.067 9.607 1206 HE3 LYS 106 1HE LYS 106 -10.808 -12.282 11.093 1207 HZ1 LYS 106 1HZ LYS 106 -10.761 -9.955 9.245 1208 HZ2 LYS 106 2HZ LYS 106 -9.605 -10.188 10.471 1209 HZ3 LYS 106 3HZ LYS 106 -11.232 -9.985 10.874 1210 H ALA 107 H ALA 107 -5.732 -13.175 11.464 1211 HA ALA 107 HA ALA 107 -6.919 -14.739 13.659 1212 HB1 ALA 107 1HB ALA 107 -4.125 -13.604 13.459 1213 HB2 ALA 107 2HB ALA 107 -4.559 -15.302 13.261 1214 HB3 ALA 107 3HB ALA 107 -4.772 -14.513 14.825 1215 H ASN 108 H ASN 108 -7.294 -12.088 12.242 1216 HA ASN 108 HA ASN 108 -8.200 -10.564 14.468 1217 HB2 ASN 108 2HB ASN 108 -5.883 -9.829 14.578 1218 HB3 ASN 108 1HB ASN 108 -5.849 -9.543 12.841 1219 HD21 ASN 108 1HD2 ASN 108 -6.576 -7.620 12.046 1220 HD22 ASN 108 2HD2 ASN 108 -7.173 -6.342 13.038 Start of MODEL 14 1 H ARG 390 2HT ARG 390 23.468 17.914 11.085 2 HA ARG 390 HA ARG 390 21.919 17.411 9.144 3 HB2 ARG 390 2HB ARG 390 21.981 19.882 10.831 4 HB3 ARG 390 1HB ARG 390 20.738 19.729 9.597 5 HG2 ARG 390 2HG ARG 390 20.485 17.334 10.770 6 HG3 ARG 390 1HG ARG 390 21.075 18.274 12.142 7 HD2 ARG 390 2HD ARG 390 19.203 19.570 12.238 8 HD3 ARG 390 1HD ARG 390 18.907 19.462 10.503 9 HE ARG 390 HE ARG 390 18.489 17.042 12.072 10 HH11 ARG 390 1HH1 ARG 390 17.062 19.824 10.494 11 HH12 ARG 390 2HH1 ARG 390 15.480 19.104 10.385 12 HH21 ARG 390 1HH2 ARG 390 16.377 16.110 11.920 13 HH22 ARG 390 2HH2 ARG 390 15.096 17.035 11.184 14 H ARG 391 H ARG 391 22.911 17.327 7.149 15 HA ARG 391 HA ARG 391 23.219 17.967 5.005 16 HB2 ARG 391 2HB ARG 391 21.137 19.234 5.221 17 HB3 ARG 391 1HB ARG 391 22.026 20.600 5.881 18 HG2 ARG 391 2HG ARG 391 23.168 20.933 3.793 19 HG3 ARG 391 1HG ARG 391 22.440 19.471 3.123 20 HD2 ARG 391 2HD ARG 391 20.275 20.445 3.125 21 HD3 ARG 391 1HD ARG 391 20.818 21.811 4.099 22 HE ARG 391 HE ARG 391 21.654 22.805 2.204 23 HH11 ARG 391 1HH1 ARG 391 20.742 19.508 1.479 24 HH12 ARG 391 2HH1 ARG 391 21.054 19.657 -0.230 25 HH21 ARG 391 1HH2 ARG 391 22.023 23.015 -0.051 26 HH22 ARG 391 2HH2 ARG 391 21.784 21.645 -1.098 27 H ARG 392 H ARG 392 25.399 17.880 4.854 28 HA ARG 392 HA ARG 392 27.002 20.094 5.817 29 HB2 ARG 392 2HB ARG 392 28.951 18.802 5.176 30 HB3 ARG 392 1HB ARG 392 27.852 17.787 6.088 31 HG2 ARG 392 2HG ARG 392 27.912 17.749 3.087 32 HG3 ARG 392 1HG ARG 392 29.021 16.783 4.056 33 HD2 ARG 392 2HD ARG 392 26.009 16.654 4.117 34 HD3 ARG 392 1HD ARG 392 27.091 15.469 3.387 35 HE ARG 392 HE ARG 392 26.784 15.976 6.276 36 HH11 ARG 392 1HH1 ARG 392 27.915 13.945 3.647 37 HH12 ARG 392 2HH1 ARG 392 28.170 12.570 4.663 38 HH21 ARG 392 1HH2 ARG 392 27.118 14.193 7.598 39 HH22 ARG 392 2HH2 ARG 392 27.717 12.706 6.926 40 H THR 393 H THR 393 25.888 21.608 4.476 41 HA THR 393 HA THR 393 25.970 23.149 2.802 42 HB THR 393 HB THR 393 27.938 21.389 1.327 43 HG1 THR 393 1HG THR 393 29.306 21.923 2.843 44 HG21 THR 393 1HG2 THR 393 28.628 23.516 0.299 45 HG22 THR 393 2HG2 THR 393 27.362 24.352 1.199 46 HG23 THR 393 3HG2 THR 393 26.932 23.155 -0.023 47 H GLU 394 H GLU 394 26.082 19.806 1.638 48 HA GLU 394 HA GLU 394 23.550 20.210 0.242 49 HB2 GLU 394 2HB GLU 394 25.478 20.549 -1.375 50 HB3 GLU 394 1HB GLU 394 25.915 18.871 -1.094 51 HG2 GLU 394 2HG GLU 394 24.533 19.441 -3.171 52 HG3 GLU 394 1HG GLU 394 24.036 18.065 -2.191 53 H ALA 395 H ALA 395 22.629 18.030 -0.414 54 HA ALA 395 HA ALA 395 22.724 16.281 1.842 55 HB1 ALA 395 1HB ALA 395 20.659 16.655 0.605 56 HB2 ALA 395 2HB ALA 395 21.086 14.944 0.608 57 HB3 ALA 395 3HB ALA 395 21.373 15.922 -0.831 58 H LEU 396 H LEU 396 24.822 15.512 1.984 59 HA LEU 396 HA LEU 396 25.623 13.619 -0.128 60 HB2 LEU 396 2HB LEU 396 27.145 15.597 1.448 61 HB3 LEU 396 1HB LEU 396 27.915 14.034 1.270 62 HG LEU 396 HG LEU 396 28.763 15.397 -0.463 63 HD11 LEU 396 1HD1 LEU 396 26.588 13.691 -1.660 64 HD12 LEU 396 2HD1 LEU 396 28.176 13.123 -1.147 65 HD13 LEU 396 3HD1 LEU 396 28.038 14.266 -2.483 66 HD21 LEU 396 1HD2 LEU 396 25.913 16.102 -1.147 67 HD22 LEU 396 2HD2 LEU 396 27.343 16.603 -2.051 68 HD23 LEU 396 3HD2 LEU 396 27.104 17.167 -0.398 69 H GLY 397 H GLY 397 23.849 13.116 2.139 70 HA2 GLY 397 2HA GLY 397 23.569 11.060 3.265 71 HA3 GLY 397 1HA GLY 397 25.312 10.831 3.231 72 H ASP 398 H ASP 398 23.063 13.279 4.506 73 HA ASP 398 HA ASP 398 24.404 13.046 7.122 74 HB2 ASP 398 2HB ASP 398 24.860 15.177 5.665 75 HB3 ASP 398 1HB ASP 398 23.231 15.637 6.142 76 H ALA 399 H ALA 399 22.472 15.158 8.026 77 HA ALA 399 HA ALA 399 20.006 13.563 7.969 78 HB1 ALA 399 1HB ALA 399 19.604 14.054 10.291 79 HB2 ALA 399 2HB ALA 399 21.086 15.007 10.375 80 HB3 ALA 399 3HB ALA 399 21.170 13.265 10.102 81 H GLU 400 H GLU 400 20.007 15.302 6.118 82 HA GLU 400 HA GLU 400 19.110 17.885 7.051 83 HB2 GLU 400 2HB GLU 400 18.783 18.286 4.528 84 HB3 GLU 400 1HB GLU 400 20.417 18.131 5.147 85 HG2 GLU 400 2HG GLU 400 18.962 15.781 3.993 86 HG3 GLU 400 1HG GLU 400 19.808 16.936 2.966 87 H GLU 401 H GLU 401 17.290 17.092 8.205 88 HA GLU 401 HA GLU 401 15.090 16.709 8.549 89 HB2 GLU 401 2HB GLU 401 15.273 18.544 6.294 90 HB3 GLU 401 1HB GLU 401 13.765 17.639 6.311 91 HG2 GLU 401 2HG GLU 401 14.848 19.517 8.376 92 HG3 GLU 401 1HG GLU 401 13.309 19.580 7.517 93 H ASP 402 H ASP 402 15.398 14.390 8.387 94 HA ASP 402 HA ASP 402 14.426 13.245 5.886 95 HB2 ASP 402 2HB ASP 402 14.966 11.027 7.000 96 HB3 ASP 402 1HB ASP 402 16.331 12.061 6.607 97 H GLU 403 H GLU 403 12.927 11.427 6.076 98 HA GLU 403 HA GLU 403 10.426 12.158 6.801 99 HB2 GLU 403 2HB GLU 403 11.660 9.418 6.604 100 HB3 GLU 403 1HB GLU 403 9.936 9.658 6.833 101 HG2 GLU 403 2HG GLU 403 10.710 9.250 4.472 102 HG3 GLU 403 1HG GLU 403 9.682 10.656 4.725 103 H ASP 404 H ASP 404 9.135 12.164 8.552 104 HA ASP 404 HA ASP 404 10.229 11.923 11.158 105 HB2 ASP 404 2HB ASP 404 7.398 12.150 10.114 106 HB3 ASP 404 1HB ASP 404 7.747 12.002 11.831 107 H ASP 405 H ASP 405 10.438 10.118 12.391 108 HA ASP 405 HA ASP 405 9.320 7.647 11.270 109 HB2 ASP 405 2HB ASP 405 11.591 8.114 13.208 110 HB3 ASP 405 1HB ASP 405 10.950 6.515 12.849 111 H GLU 406 H GLU 406 8.446 9.875 13.468 112 HA GLU 406 HA GLU 406 7.108 7.826 15.095 113 HB2 GLU 406 2HB GLU 406 7.010 9.763 16.857 114 HB3 GLU 406 1HB GLU 406 8.436 8.748 16.729 115 HG2 GLU 406 2HG GLU 406 8.823 11.214 16.997 116 HG3 GLU 406 1HG GLU 406 9.671 10.431 15.671 117 H ASP 407 H ASP 407 5.230 8.974 16.348 118 HA ASP 407 HA ASP 407 3.167 9.735 16.245 119 HB2 ASP 407 2HB ASP 407 4.351 11.890 16.251 120 HB3 ASP 407 1HB ASP 407 4.259 11.901 14.493 121 H PHE 408 H PHE 408 3.028 7.666 14.923 122 HA PHE 408 HA PHE 408 1.597 8.329 12.436 123 HB2 PHE 408 2HB PHE 408 3.252 5.865 13.081 124 HB3 PHE 408 1HB PHE 408 2.083 5.906 11.786 125 HD1 PHE 408 1HD PHE 408 5.089 7.759 12.994 126 HD2 PHE 408 2HD PHE 408 2.783 6.414 9.689 127 HE1 PHE 408 1HE PHE 408 6.790 8.622 11.452 128 HE2 PHE 408 2HE PHE 408 4.478 7.278 8.145 129 HZ PHE 408 HZ PHE 408 6.476 8.392 9.027 130 H VAL 409 H VAL 409 -0.429 7.855 12.490 131 HA VAL 409 HA VAL 409 -1.484 6.573 14.848 132 HB VAL 409 HB VAL 409 -3.686 7.325 13.781 133 HG11 VAL 409 1HG1 VAL 409 -2.472 8.476 15.522 134 HG12 VAL 409 2HG1 VAL 409 -3.162 9.635 14.380 135 HG13 VAL 409 3HG1 VAL 409 -1.446 9.228 14.302 136 HG21 VAL 409 1HG2 VAL 409 -3.500 9.082 12.123 137 HG22 VAL 409 2HG2 VAL 409 -2.968 7.527 11.486 138 HG23 VAL 409 3HG2 VAL 409 -1.779 8.738 11.964 139 H GLU 410 H GLU 410 -1.912 4.542 14.940 140 HA GLU 410 HA GLU 410 -1.238 2.809 12.910 141 HB2 GLU 410 2HB GLU 410 -1.466 2.265 15.372 142 HB3 GLU 410 1HB GLU 410 -3.194 2.088 15.084 143 HG2 GLU 410 2HG GLU 410 -2.827 -0.005 14.464 144 HG3 GLU 410 1HG GLU 410 -1.931 0.609 13.077 145 H VAL 411 H VAL 411 -2.178 2.136 11.205 146 HA VAL 411 HA VAL 411 -4.943 2.859 10.665 147 HB VAL 411 HB VAL 411 -2.926 1.777 8.669 148 HG11 VAL 411 1HG1 VAL 411 -4.491 3.104 7.164 149 HG12 VAL 411 2HG1 VAL 411 -5.599 3.130 8.538 150 HG13 VAL 411 3HG1 VAL 411 -5.105 1.592 7.831 151 HG21 VAL 411 1HG2 VAL 411 -2.005 3.736 9.668 152 HG22 VAL 411 2HG2 VAL 411 -3.513 4.611 9.397 153 HG23 VAL 411 3HG2 VAL 411 -2.549 4.065 8.023 154 HA PRO 412 HA PRO 412 -5.820 -1.445 11.641 155 HB2 PRO 412 2HB PRO 412 -8.500 -1.156 11.624 156 HB3 PRO 412 1HB PRO 412 -7.505 -0.562 12.961 157 HG2 PRO 412 2HG PRO 412 -8.611 0.950 10.614 158 HG3 PRO 412 1HG PRO 412 -8.637 1.391 12.333 159 HD2 PRO 412 2HD PRO 412 -6.821 2.404 10.623 160 HD3 PRO 412 1HD PRO 412 -6.428 2.066 12.321 161 H GLU 413 H GLU 413 -7.345 -3.080 10.625 162 HA GLU 413 HA GLU 413 -7.123 -2.861 7.725 163 HB2 GLU 413 2HB GLU 413 -8.027 -5.308 9.214 164 HB3 GLU 413 1HB GLU 413 -7.217 -5.203 7.656 165 HG2 GLU 413 2HG GLU 413 -5.395 -4.072 9.364 166 HG3 GLU 413 1HG GLU 413 -6.104 -5.356 10.339 167 H LYS 414 H LYS 414 -8.892 -3.361 6.335 168 HA LYS 414 HA LYS 414 -11.529 -3.011 7.589 169 HB2 LYS 414 2HB LYS 414 -10.285 -1.610 5.317 170 HB3 LYS 414 1HB LYS 414 -11.978 -2.056 5.117 171 HG2 LYS 414 2HG LYS 414 -12.653 -0.447 6.487 172 HG3 LYS 414 1HG LYS 414 -11.478 -0.904 7.720 173 HD2 LYS 414 2HD LYS 414 -10.590 1.111 7.257 174 HD3 LYS 414 1HD LYS 414 -9.858 0.252 5.902 175 HE2 LYS 414 2HE LYS 414 -11.265 1.172 4.371 176 HE3 LYS 414 1HE LYS 414 -12.578 1.371 5.529 177 HZ1 LYS 414 1HZ LYS 414 -10.131 2.977 5.828 178 HZ2 LYS 414 2HZ LYS 414 -11.715 3.344 6.296 179 HZ3 LYS 414 3HZ LYS 414 -11.273 3.435 4.663 180 H GLU 415 H GLU 415 -9.701 -4.528 5.018 181 HA GLU 415 HA GLU 415 -9.998 -6.431 3.845 182 HB2 GLU 415 2HB GLU 415 -11.504 -6.878 6.255 183 HB3 GLU 415 1HB GLU 415 -12.303 -7.655 4.896 184 HG2 GLU 415 2HG GLU 415 -10.695 -9.203 4.663 185 HG3 GLU 415 1HG GLU 415 -9.400 -8.070 5.049 186 H GLY 416 H GLY 416 -13.365 -5.599 4.655 187 HA2 GLY 416 2HA GLY 416 -13.843 -5.269 1.765 188 HA3 GLY 416 1HA GLY 416 -14.896 -6.291 2.728 189 H TYR 417 H TYR 417 -13.924 -3.030 2.021 190 HA TYR 417 HA TYR 417 -16.445 -2.079 3.170 191 HB2 TYR 417 2HB TYR 417 -15.444 -0.620 4.574 192 HB3 TYR 417 1HB TYR 417 -13.959 -1.517 4.294 193 HD1 TYR 417 1HD TYR 417 -15.565 1.650 4.036 194 HD2 TYR 417 2HD TYR 417 -12.468 -0.717 2.329 195 HE1 TYR 417 1HE TYR 417 -14.527 3.680 3.114 196 HE2 TYR 417 2HE TYR 417 -11.424 1.305 1.401 197 HH TYR 417 HH TYR 417 -11.810 4.197 2.366 198 H GLU 418 H GLU 418 -17.455 -0.451 1.954 199 HA GLU 418 HA GLU 418 -16.577 -0.296 -0.791 200 HB2 GLU 418 2HB GLU 418 -18.822 1.329 0.376 201 HB3 GLU 418 1HB GLU 418 -18.643 0.718 -1.262 202 HG2 GLU 418 2HG GLU 418 -20.159 -0.781 -0.563 203 HG3 GLU 418 1HG GLU 418 -18.735 -1.604 0.072 204 HA PRO 419 HA PRO 419 -14.193 3.416 0.033 205 HB2 PRO 419 2HB PRO 419 -13.543 3.368 -2.806 206 HB3 PRO 419 1HB PRO 419 -12.487 3.094 -1.419 207 HG2 PRO 419 2HG PRO 419 -13.188 1.121 -3.145 208 HG3 PRO 419 1HG PRO 419 -12.837 0.825 -1.433 209 HD2 PRO 419 2HD PRO 419 -15.490 1.070 -2.808 210 HD3 PRO 419 1HD PRO 419 -14.972 -0.080 -1.556 211 H HIS 420 H HIS 420 -17.075 3.204 -1.271 212 HA HIS 420 HA HIS 420 -17.532 5.963 -1.527 213 HB2 HIS 420 2HB HIS 420 -18.370 5.686 -4.027 214 HB3 HIS 420 1HB HIS 420 -16.714 6.158 -3.677 215 HD1 HIS 420 1HD HIS 420 -14.887 4.652 -4.580 216 HD2 HIS 420 2HD HIS 420 -18.655 2.911 -4.793 217 HE1 HIS 420 1HE HIS 420 -14.616 2.538 -5.939 218 H ILE 421 H ILE 421 -18.681 2.898 -2.839 219 HA ILE 421 HA ILE 421 -20.888 2.657 -1.175 220 HB ILE 421 HB ILE 421 -21.394 4.731 -2.847 221 HG12 ILE 421 2HG1 ILE 421 -23.496 2.734 -2.027 222 HG13 ILE 421 1HG1 ILE 421 -22.701 3.831 -0.903 223 HG21 ILE 421 1HG2 ILE 421 -21.247 3.272 -4.848 224 HG22 ILE 421 2HG2 ILE 421 -22.808 4.073 -4.674 225 HG23 ILE 421 3HG2 ILE 421 -22.639 2.370 -4.248 226 HD11 ILE 421 1HD1 ILE 421 -24.347 4.669 -3.283 227 HD12 ILE 421 2HD1 ILE 421 -23.601 5.743 -2.098 228 HD13 ILE 421 3HD1 ILE 421 -24.898 4.651 -1.607 229 HA PRO 422 HA PRO 422 -20.709 -1.354 -3.043 230 HB2 PRO 422 2HB PRO 422 -23.326 -2.146 -2.829 231 HB3 PRO 422 1HB PRO 422 -22.171 -2.166 -1.495 232 HG2 PRO 422 2HG PRO 422 -24.242 -0.119 -2.176 233 HG3 PRO 422 1HG PRO 422 -23.822 -0.800 -0.593 234 HD2 PRO 422 2HD PRO 422 -22.939 1.606 -1.333 235 HD3 PRO 422 1HD PRO 422 -21.907 0.498 -0.405 236 H ASP 423 H ASP 423 -20.600 0.341 -5.068 237 HA ASP 423 HA ASP 423 -22.666 -0.559 -6.963 238 HB2 ASP 423 2HB ASP 423 -22.520 1.935 -6.576 239 HB3 ASP 423 1HB ASP 423 -20.902 1.879 -7.266 240 H HIS 424 H HIS 424 -21.528 -2.483 -7.219 241 HA HIS 424 HA HIS 424 -18.827 -2.494 -8.195 242 HB2 HIS 424 2HB HIS 424 -19.835 -5.023 -8.677 243 HB3 HIS 424 1HB HIS 424 -18.993 -4.510 -7.222 244 HD1 HIS 424 1HD HIS 424 -20.491 -4.003 -5.097 245 HD2 HIS 424 2HD HIS 424 -22.536 -5.518 -8.393 246 HE1 HIS 424 1HE HIS 424 -22.761 -4.753 -4.261 247 H LEU 425 H LEU 425 -21.225 -1.260 -9.722 248 HA LEU 425 HA LEU 425 -20.711 -2.652 -12.265 249 HB2 LEU 425 2HB LEU 425 -23.119 -1.043 -11.414 250 HB3 LEU 425 1HB LEU 425 -22.875 -1.688 -13.027 251 HG LEU 425 HG LEU 425 -23.112 -3.370 -10.531 252 HD11 LEU 425 1HD1 LEU 425 -25.131 -2.754 -12.682 253 HD12 LEU 425 2HD1 LEU 425 -25.214 -2.268 -10.988 254 HD13 LEU 425 3HD1 LEU 425 -25.326 -3.974 -11.423 255 HD21 LEU 425 1HD2 LEU 425 -23.070 -4.113 -13.454 256 HD22 LEU 425 2HD2 LEU 425 -23.350 -5.225 -12.114 257 HD23 LEU 425 3HD2 LEU 425 -21.788 -4.423 -12.282 258 H ARG 426 H ARG 426 -19.273 -0.441 -10.852 259 HA ARG 426 HA ARG 426 -19.637 1.757 -12.712 260 HB2 ARG 426 2HB ARG 426 -17.968 1.558 -10.218 261 HB3 ARG 426 1HB ARG 426 -17.990 2.969 -11.267 262 HG2 ARG 426 2HG ARG 426 -20.495 1.870 -10.043 263 HG3 ARG 426 1HG ARG 426 -19.455 3.005 -9.185 264 HD2 ARG 426 2HD ARG 426 -21.334 4.111 -10.341 265 HD3 ARG 426 1HD ARG 426 -19.761 4.660 -10.915 266 HE ARG 426 HE ARG 426 -20.197 3.714 -12.972 267 HH11 ARG 426 1HH1 ARG 426 -22.672 2.725 -10.684 268 HH12 ARG 426 2HH1 ARG 426 -23.711 2.086 -11.920 269 HH21 ARG 426 1HH2 ARG 426 -21.581 2.873 -14.585 270 HH22 ARG 426 2HH2 ARG 426 -23.094 2.169 -14.131 271 HA PRO 427 HA PRO 427 -15.081 0.712 -13.663 272 HB2 PRO 427 2HB PRO 427 -14.337 -1.766 -12.383 273 HB3 PRO 427 1HB PRO 427 -13.662 -0.157 -12.131 274 HG2 PRO 427 2HG PRO 427 -15.122 -1.516 -10.253 275 HG3 PRO 427 1HG PRO 427 -14.985 0.249 -10.316 276 HD2 PRO 427 2HD PRO 427 -17.207 -1.512 -11.278 277 HD3 PRO 427 1HD PRO 427 -17.289 0.061 -10.458 278 H GLU 428 H GLU 428 -13.779 -1.384 -14.606 279 HA GLU 428 HA GLU 428 -15.671 -2.572 -16.472 280 HB2 GLU 428 2HB GLU 428 -13.645 -3.326 -17.683 281 HB3 GLU 428 1HB GLU 428 -13.654 -1.590 -17.412 282 HG2 GLU 428 2HG GLU 428 -12.218 -3.424 -15.533 283 HG3 GLU 428 1HG GLU 428 -11.473 -2.911 -17.046 284 H TYR 429 H TYR 429 -15.132 -3.287 -13.576 285 HA TYR 429 HA TYR 429 -15.166 -6.179 -13.961 286 HB2 TYR 429 2HB TYR 429 -12.853 -5.423 -13.251 287 HB3 TYR 429 1HB TYR 429 -13.576 -4.863 -11.747 288 HD1 TYR 429 1HD TYR 429 -13.520 -6.291 -9.936 289 HD2 TYR 429 2HD TYR 429 -13.437 -7.954 -13.852 290 HE1 TYR 429 1HE TYR 429 -13.258 -8.537 -8.971 291 HE2 TYR 429 2HE TYR 429 -13.176 -10.205 -12.896 292 HH TYR 429 HH TYR 429 -13.598 -10.844 -9.549 293 H GLY 430 H GLY 430 -16.480 -7.261 -12.478 294 HA2 GLY 430 2HA GLY 430 -18.528 -5.642 -11.280 295 HA3 GLY 430 1HA GLY 430 -18.455 -7.396 -11.285 296 H LEU 431 H LEU 431 -16.680 -4.650 -9.875 297 HA LEU 431 HA LEU 431 -17.188 -5.447 -7.201 298 HB2 LEU 431 2HB LEU 431 -14.872 -6.610 -8.491 299 HB3 LEU 431 1HB LEU 431 -14.390 -5.595 -7.145 300 HG LEU 431 HG LEU 431 -16.358 -7.880 -6.968 301 HD11 LEU 431 1HD1 LEU 431 -14.100 -8.672 -7.414 302 HD12 LEU 431 2HD1 LEU 431 -14.583 -9.045 -5.759 303 HD13 LEU 431 3HD1 LEU 431 -13.484 -7.702 -6.077 304 HD21 LEU 431 1HD2 LEU 431 -15.100 -6.182 -4.817 305 HD22 LEU 431 2HD2 LEU 431 -16.158 -7.570 -4.557 306 HD23 LEU 431 3HD2 LEU 431 -16.785 -6.117 -5.335 307 H GLU 432 H GLU 432 -16.923 -3.733 -5.890 308 HA GLU 432 HA GLU 432 -15.619 -1.364 -7.035 309 HB2 GLU 432 2HB GLU 432 -16.935 -0.039 -5.529 310 HB3 GLU 432 1HB GLU 432 -18.013 -1.199 -6.290 311 HG2 GLU 432 2HG GLU 432 -16.821 -1.567 -3.551 312 HG3 GLU 432 1HG GLU 432 -18.393 -0.826 -3.851 313 H ALA 433 H ALA 433 -15.580 -3.607 -4.394 314 HA ALA 433 HA ALA 433 -13.235 -2.255 -3.228 315 HB1 ALA 433 1HB ALA 433 -15.131 -2.516 -1.692 316 HB2 ALA 433 2HB ALA 433 -13.744 -3.474 -1.170 317 HB3 ALA 433 3HB ALA 433 -15.111 -4.259 -1.963 318 H ALA 434 H ALA 434 -12.909 -3.695 -5.536 319 HA ALA 434 HA ALA 434 -12.355 -6.391 -5.436 320 HB1 ALA 434 1HB ALA 434 -12.321 -4.916 -7.460 321 HB2 ALA 434 2HB ALA 434 -10.999 -6.080 -7.368 322 HB3 ALA 434 3HB ALA 434 -10.712 -4.386 -6.968 323 H MET 1 2HT MET 1 10.195 -5.004 -6.647 324 HA MET 1 HA MET 1 12.750 -5.395 -5.219 325 HB2 MET 1 2HB MET 1 10.542 -7.124 -5.118 326 HB3 MET 1 1HB MET 1 11.590 -7.805 -6.353 327 HG2 MET 1 2HG MET 1 12.513 -7.080 -3.584 328 HG3 MET 1 1HG MET 1 11.961 -8.687 -4.054 329 HE1 MET 1 1HE MET 1 15.848 -9.128 -3.701 330 HE2 MET 1 2HE MET 1 14.271 -9.748 -3.213 331 HE3 MET 1 3HE MET 1 14.776 -8.136 -2.712 332 H ALA 2 H ALA 2 13.729 -7.335 -6.887 333 HA ALA 2 HA ALA 2 14.479 -5.892 -9.184 334 HB1 ALA 2 1HB ALA 2 15.502 -7.997 -9.944 335 HB2 ALA 2 2HB ALA 2 14.655 -8.863 -8.661 336 HB3 ALA 2 3HB ALA 2 15.878 -7.660 -8.255 337 H THR 3 H THR 3 12.155 -8.488 -8.663 338 HA THR 3 HA THR 3 11.065 -8.043 -11.349 339 HB THR 3 HB THR 3 10.333 -10.334 -9.532 340 HG1 THR 3 1HG THR 3 12.534 -10.141 -11.336 341 HG21 THR 3 1HG2 THR 3 10.326 -9.998 -12.537 342 HG22 THR 3 2HG2 THR 3 8.911 -9.954 -11.484 343 HG23 THR 3 3HG2 THR 3 9.830 -11.449 -11.664 344 H SER 4 H SER 4 9.711 -6.343 -11.075 345 HA SER 4 HA SER 4 7.278 -6.815 -9.583 346 HB2 SER 4 2HB SER 4 8.873 -4.285 -9.077 347 HB3 SER 4 1HB SER 4 7.352 -4.753 -8.314 348 HG SER 4 HG SER 4 8.837 -6.744 -7.778 349 H SER 5 H SER 5 5.980 -6.685 -11.311 350 HA SER 5 HA SER 5 5.700 -4.138 -12.655 351 HB2 SER 5 2HB SER 5 6.425 -6.599 -14.270 352 HB3 SER 5 1HB SER 5 5.980 -5.027 -14.930 353 HG SER 5 HG SER 5 7.940 -4.643 -13.187 354 H GLU 6 H GLU 6 4.118 -5.902 -10.950 355 HA GLU 6 HA GLU 6 2.107 -7.092 -12.639 356 HB2 GLU 6 2HB GLU 6 1.883 -6.573 -9.674 357 HB3 GLU 6 1HB GLU 6 1.028 -7.778 -10.625 358 HG2 GLU 6 2HG GLU 6 2.605 -9.040 -9.523 359 HG3 GLU 6 1HG GLU 6 3.386 -8.742 -11.075 360 H GLU 7 H GLU 7 -0.260 -6.524 -11.971 361 HA GLU 7 HA GLU 7 -0.878 -4.022 -12.972 362 HB2 GLU 7 2HB GLU 7 -2.459 -5.913 -11.238 363 HB3 GLU 7 1HB GLU 7 -3.146 -4.421 -11.858 364 HG2 GLU 7 2HG GLU 7 -3.832 -6.103 -13.337 365 HG3 GLU 7 1HG GLU 7 -2.535 -5.244 -14.164 366 H VAL 8 H VAL 8 -0.410 -2.118 -12.176 367 HA VAL 8 HA VAL 8 -0.015 -1.699 -9.350 368 HB VAL 8 HB VAL 8 -0.056 0.432 -11.490 369 HG11 VAL 8 1HG1 VAL 8 1.505 1.566 -9.951 370 HG12 VAL 8 2HG1 VAL 8 1.289 0.247 -8.800 371 HG13 VAL 8 3HG1 VAL 8 -0.079 1.275 -9.230 372 HG21 VAL 8 1HG2 VAL 8 2.277 -1.283 -10.641 373 HG22 VAL 8 2HG2 VAL 8 2.368 0.119 -11.706 374 HG23 VAL 8 3HG2 VAL 8 1.478 -1.316 -12.213 375 H LEU 9 H LEU 9 -1.836 -1.715 -8.205 376 HA LEU 9 HA LEU 9 -4.350 -0.817 -9.196 377 HB2 LEU 9 2HB LEU 9 -3.540 -1.381 -6.343 378 HB3 LEU 9 1HB LEU 9 -5.179 -1.278 -6.957 379 HG LEU 9 HG LEU 9 -3.155 -3.392 -7.705 380 HD11 LEU 9 1HD1 LEU 9 -5.617 -3.536 -5.972 381 HD12 LEU 9 2HD1 LEU 9 -3.945 -3.640 -5.420 382 HD13 LEU 9 3HD1 LEU 9 -4.613 -4.904 -6.452 383 HD21 LEU 9 1HD2 LEU 9 -5.006 -4.476 -8.857 384 HD22 LEU 9 2HD2 LEU 9 -4.704 -2.875 -9.533 385 HD23 LEU 9 3HD2 LEU 9 -6.069 -3.130 -8.444 386 H LEU 10 H LEU 10 -1.806 0.628 -7.234 387 HA LEU 10 HA LEU 10 -3.281 3.171 -7.428 388 HB2 LEU 10 2HB LEU 10 -3.515 1.964 -5.173 389 HB3 LEU 10 1HB LEU 10 -1.843 2.426 -4.908 390 HG LEU 10 HG LEU 10 -2.556 4.819 -5.311 391 HD11 LEU 10 1HD1 LEU 10 -4.923 5.344 -4.994 392 HD12 LEU 10 2HD1 LEU 10 -5.304 3.622 -5.008 393 HD13 LEU 10 3HD1 LEU 10 -4.656 4.395 -6.455 394 HD21 LEU 10 1HD2 LEU 10 -3.766 3.345 -2.979 395 HD22 LEU 10 2HD2 LEU 10 -3.467 5.082 -3.053 396 HD23 LEU 10 3HD2 LEU 10 -2.113 3.951 -3.086 397 H ILE 11 H ILE 11 -2.070 4.897 -7.912 398 HA ILE 11 HA ILE 11 0.856 4.567 -7.869 399 HB ILE 11 HB ILE 11 -0.800 6.007 -9.951 400 HG12 ILE 11 2HG1 ILE 11 0.958 3.552 -10.176 401 HG13 ILE 11 1HG1 ILE 11 -0.801 3.540 -10.147 402 HG21 ILE 11 1HG2 ILE 11 1.335 6.428 -11.088 403 HG22 ILE 11 2HG2 ILE 11 2.194 5.723 -9.718 404 HG23 ILE 11 3HG2 ILE 11 1.266 7.208 -9.508 405 HD11 ILE 11 1HD1 ILE 11 0.051 3.291 -12.404 406 HD12 ILE 11 2HD1 ILE 11 0.920 4.819 -12.257 407 HD13 ILE 11 3HD1 ILE 11 -0.843 4.802 -12.233 408 H VAL 12 H VAL 12 1.653 5.841 -6.350 409 HA VAL 12 HA VAL 12 0.499 8.536 -5.969 410 HB VAL 12 HB VAL 12 2.068 6.863 -3.991 411 HG11 VAL 12 1HG1 VAL 12 2.404 9.313 -3.788 412 HG12 VAL 12 2HG1 VAL 12 1.607 8.597 -2.387 413 HG13 VAL 12 3HG1 VAL 12 0.662 9.498 -3.573 414 HG21 VAL 12 1HG2 VAL 12 -0.036 6.709 -2.754 415 HG22 VAL 12 2HG2 VAL 12 -0.177 5.985 -4.356 416 HG23 VAL 12 3HG2 VAL 12 -0.861 7.581 -4.046 417 H LYS 13 H LYS 13 1.852 10.260 -6.256 418 HA LYS 13 HA LYS 13 4.584 9.585 -7.103 419 HB2 LYS 13 2HB LYS 13 2.675 11.730 -7.878 420 HB3 LYS 13 1HB LYS 13 4.396 12.069 -7.984 421 HG2 LYS 13 2HG LYS 13 2.797 10.012 -9.469 422 HG3 LYS 13 1HG LYS 13 3.805 11.310 -10.113 423 HD2 LYS 13 2HD LYS 13 5.732 10.077 -8.890 424 HD3 LYS 13 1HD LYS 13 4.625 8.704 -8.889 425 HE2 LYS 13 2HE LYS 13 4.518 8.703 -11.277 426 HE3 LYS 13 1HE LYS 13 5.402 10.226 -11.371 427 HZ1 LYS 13 1HZ LYS 13 6.943 8.527 -11.842 428 HZ2 LYS 13 2HZ LYS 13 6.438 7.574 -10.540 429 HZ3 LYS 13 3HZ LYS 13 7.289 9.019 -10.257 430 H LYS 14 H LYS 14 6.243 11.235 -6.682 431 HA LYS 14 HA LYS 14 7.632 12.147 -5.162 432 HB2 LYS 14 2HB LYS 14 5.147 13.719 -5.155 433 HB3 LYS 14 1HB LYS 14 6.289 14.075 -3.862 434 HG2 LYS 14 2HG LYS 14 8.033 14.301 -5.702 435 HG3 LYS 14 1HG LYS 14 6.678 14.304 -6.831 436 HD2 LYS 14 2HD LYS 14 7.028 16.567 -6.457 437 HD3 LYS 14 1HD LYS 14 5.741 16.185 -5.313 438 HE2 LYS 14 2HE LYS 14 7.352 16.008 -3.511 439 HE3 LYS 14 1HE LYS 14 8.678 16.281 -4.639 440 HZ1 LYS 14 1HZ LYS 14 6.505 18.245 -4.108 441 HZ2 LYS 14 2HZ LYS 14 7.904 18.497 -5.026 442 HZ3 LYS 14 3HZ LYS 14 8.020 18.278 -3.357 443 H VAL 15 H VAL 15 7.662 10.095 -4.035 444 HA VAL 15 HA VAL 15 6.689 10.403 -1.273 445 HB VAL 15 HB VAL 15 6.765 7.838 -2.881 446 HG11 VAL 15 1HG1 VAL 15 5.859 6.761 -0.868 447 HG12 VAL 15 2HG1 VAL 15 6.054 8.272 0.020 448 HG13 VAL 15 3HG1 VAL 15 7.472 7.419 -0.589 449 HG21 VAL 15 1HG2 VAL 15 4.446 9.304 -1.630 450 HG22 VAL 15 2HG2 VAL 15 4.363 7.813 -2.569 451 HG23 VAL 15 3HG2 VAL 15 4.854 9.319 -3.346 452 H ARG 16 H ARG 16 8.250 10.193 0.231 453 HA ARG 16 HA ARG 16 10.906 9.360 -0.738 454 HB2 ARG 16 2HB ARG 16 10.545 10.899 1.791 455 HB3 ARG 16 1HB ARG 16 11.898 10.892 0.672 456 HG2 ARG 16 2HG ARG 16 10.512 12.144 -0.944 457 HG3 ARG 16 1HG ARG 16 9.235 12.226 0.271 458 HD2 ARG 16 2HD ARG 16 10.365 14.257 0.493 459 HD3 ARG 16 1HD ARG 16 11.011 13.258 1.796 460 HE ARG 16 HE ARG 16 12.400 13.711 -0.774 461 HH11 ARG 16 1HH1 ARG 16 12.455 13.168 2.700 462 HH12 ARG 16 2HH1 ARG 16 14.164 13.438 2.829 463 HH21 ARG 16 1HH2 ARG 16 14.619 13.999 -0.625 464 HH22 ARG 16 2HH2 ARG 16 15.412 13.912 0.924 465 H GLN 17 H GLN 17 12.234 8.121 0.533 466 HA GLN 17 HA GLN 17 11.071 6.853 2.910 467 HB2 GLN 17 2HB GLN 17 11.161 5.532 0.547 468 HB3 GLN 17 1HB GLN 17 12.774 5.173 1.144 469 HG2 GLN 17 2HG GLN 17 10.294 4.686 2.765 470 HG3 GLN 17 1HG GLN 17 10.969 3.490 1.662 471 HE21 GLN 17 1HE2 GLN 17 13.722 4.242 2.231 472 HE22 GLN 17 2HE2 GLN 17 14.074 3.611 3.800 473 H LYS 18 H LYS 18 12.369 7.742 4.410 474 HA LYS 18 HA LYS 18 14.189 8.516 5.512 475 HB2 LYS 18 2HB LYS 18 14.745 5.774 4.612 476 HB3 LYS 18 1HB LYS 18 16.108 6.657 5.290 477 HG2 LYS 18 2HG LYS 18 13.457 6.144 6.636 478 HG3 LYS 18 1HG LYS 18 14.978 5.324 6.986 479 HD2 LYS 18 2HD LYS 18 15.224 6.875 8.591 480 HD3 LYS 18 1HD LYS 18 15.664 7.962 7.272 481 HE2 LYS 18 2HE LYS 18 13.560 8.950 7.217 482 HE3 LYS 18 1HE LYS 18 12.793 7.590 8.034 483 HZ1 LYS 18 1HZ LYS 18 13.848 8.233 10.091 484 HZ2 LYS 18 2HZ LYS 18 12.991 9.549 9.458 485 HZ3 LYS 18 3HZ LYS 18 14.680 9.504 9.323 486 H LYS 19 H LYS 19 14.297 10.201 3.756 487 HA LYS 19 HA LYS 19 15.520 11.679 2.596 488 HB2 LYS 19 2HB LYS 19 17.520 10.024 3.936 489 HB3 LYS 19 1HB LYS 19 18.126 11.015 2.610 490 HG2 LYS 19 2HG LYS 19 17.225 13.003 3.699 491 HG3 LYS 19 1HG LYS 19 16.582 12.007 5.003 492 HD2 LYS 19 2HD LYS 19 19.074 11.226 5.231 493 HD3 LYS 19 1HD LYS 19 19.414 12.741 4.392 494 HE2 LYS 19 2HE LYS 19 19.238 13.802 6.322 495 HE3 LYS 19 1HE LYS 19 17.536 13.337 6.388 496 HZ1 LYS 19 1HZ LYS 19 18.283 12.408 8.313 497 HZ2 LYS 19 2HZ LYS 19 19.850 12.123 7.710 498 HZ3 LYS 19 3HZ LYS 19 18.574 11.109 7.260 499 H GLN 20 H GLN 20 14.419 9.344 1.235 500 HA GLN 20 HA GLN 20 16.084 9.518 -1.180 501 HB2 GLN 20 2HB GLN 20 14.822 7.055 0.023 502 HB3 GLN 20 1HB GLN 20 15.273 7.138 -1.674 503 HG2 GLN 20 2HG GLN 20 17.504 7.083 -1.234 504 HG3 GLN 20 1HG GLN 20 17.326 7.855 0.341 505 HE21 GLN 20 1HE2 GLN 20 16.890 6.614 2.134 506 HE22 GLN 20 2HE2 GLN 20 17.013 4.891 2.123 507 H ASP 21 H ASP 21 14.933 10.503 -2.715 508 HA ASP 21 HA ASP 21 12.047 10.654 -2.481 509 HB2 ASP 21 2HB ASP 21 14.093 12.057 -4.167 510 HB3 ASP 21 1HB ASP 21 12.389 12.125 -4.608 511 H GLY 22 H GLY 22 10.575 9.772 -3.810 512 HA2 GLY 22 2HA GLY 22 11.173 8.674 -6.366 513 HA3 GLY 22 1HA GLY 22 11.065 7.412 -5.147 514 H ALA 23 H ALA 23 9.217 6.482 -5.986 515 HA ALA 23 HA ALA 23 6.748 7.967 -5.426 516 HB1 ALA 23 1HB ALA 23 7.176 8.209 -7.831 517 HB2 ALA 23 2HB ALA 23 5.732 7.248 -7.510 518 HB3 ALA 23 3HB ALA 23 7.231 6.453 -7.989 519 H LEU 24 H LEU 24 4.974 6.652 -4.904 520 HA LEU 24 HA LEU 24 5.736 3.915 -4.143 521 HB2 LEU 24 2HB LEU 24 5.067 5.525 -2.335 522 HB3 LEU 24 1HB LEU 24 3.463 5.556 -3.044 523 HG LEU 24 HG LEU 24 3.512 2.995 -2.741 524 HD11 LEU 24 1HD1 LEU 24 5.884 2.810 -2.227 525 HD12 LEU 24 2HD1 LEU 24 4.887 2.197 -0.908 526 HD13 LEU 24 3HD1 LEU 24 5.648 3.783 -0.775 527 HD21 LEU 24 1HD2 LEU 24 2.654 3.205 -0.466 528 HD22 LEU 24 2HD2 LEU 24 2.060 4.513 -1.490 529 HD23 LEU 24 3HD2 LEU 24 3.364 4.814 -0.341 530 H TYR 25 H TYR 25 4.750 2.251 -5.040 531 HA TYR 25 HA TYR 25 2.281 2.750 -6.567 532 HB2 TYR 25 2HB TYR 25 4.522 0.873 -7.339 533 HB3 TYR 25 1HB TYR 25 3.042 1.150 -8.246 534 HD1 TYR 25 1HD TYR 25 6.312 2.528 -7.328 535 HD2 TYR 25 2HD TYR 25 2.754 3.173 -9.568 536 HE1 TYR 25 1HE TYR 25 7.431 4.325 -8.573 537 HE2 TYR 25 2HE TYR 25 3.865 4.975 -10.821 538 HH TYR 25 HH TYR 25 7.230 5.470 -10.727 539 H LEU 26 H LEU 26 0.631 1.674 -5.711 540 HA LEU 26 HA LEU 26 1.092 -0.654 -4.044 541 HB2 LEU 26 2HB LEU 26 -1.484 0.685 -4.886 542 HB3 LEU 26 1HB LEU 26 -1.382 -0.674 -3.784 543 HG LEU 26 HG LEU 26 -0.639 2.180 -3.335 544 HD11 LEU 26 1HD1 LEU 26 -2.844 1.389 -2.660 545 HD12 LEU 26 2HD1 LEU 26 -1.868 1.812 -1.253 546 HD13 LEU 26 3HD1 LEU 26 -2.099 0.119 -1.690 547 HD21 LEU 26 1HD2 LEU 26 0.578 1.569 -1.323 548 HD22 LEU 26 2HD2 LEU 26 1.374 0.939 -2.765 549 HD23 LEU 26 3HD2 LEU 26 0.425 -0.137 -1.740 550 H MET 27 H MET 27 0.953 -2.707 -4.756 551 HA MET 27 HA MET 27 0.013 -3.063 -7.525 552 HB2 MET 27 2HB MET 27 1.822 -5.052 -6.261 553 HB3 MET 27 1HB MET 27 1.718 -4.490 -7.927 554 HG2 MET 27 2HG MET 27 2.639 -2.273 -7.020 555 HG3 MET 27 1HG MET 27 3.107 -3.218 -5.609 556 HE1 MET 27 1HE MET 27 3.938 -1.986 -8.991 557 HE2 MET 27 2HE MET 27 3.202 -3.488 -9.553 558 HE3 MET 27 3HE MET 27 4.933 -3.224 -9.760 559 H ALA 28 H ALA 28 -0.657 -5.401 -7.939 560 HA ALA 28 HA ALA 28 -3.022 -5.954 -6.746 561 HB1 ALA 28 1HB ALA 28 -2.910 -8.161 -7.720 562 HB2 ALA 28 2HB ALA 28 -1.162 -8.017 -7.899 563 HB3 ALA 28 3HB ALA 28 -2.232 -6.964 -8.826 564 H GLU 29 H GLU 29 0.014 -7.694 -5.823 565 HA GLU 29 HA GLU 29 -1.375 -8.308 -3.289 566 HB2 GLU 29 2HB GLU 29 0.861 -10.032 -4.212 567 HB3 GLU 29 1HB GLU 29 -0.557 -10.455 -3.265 568 HG2 GLU 29 2HG GLU 29 -1.276 -11.437 -5.127 569 HG3 GLU 29 1HG GLU 29 -1.638 -9.803 -5.694 570 H ARG 30 H ARG 30 0.650 -6.107 -4.160 571 HA ARG 30 HA ARG 30 2.186 -6.268 -1.734 572 HB2 ARG 30 2HB ARG 30 4.409 -6.244 -2.764 573 HB3 ARG 30 1HB ARG 30 3.545 -7.731 -3.126 574 HG2 ARG 30 2HG ARG 30 2.888 -6.513 -5.330 575 HG3 ARG 30 1HG ARG 30 4.256 -5.465 -4.945 576 HD2 ARG 30 2HD ARG 30 4.822 -7.391 -6.433 577 HD3 ARG 30 1HD ARG 30 5.767 -7.320 -4.946 578 HE ARG 30 HE ARG 30 4.787 -9.277 -4.247 579 HH11 ARG 30 1HH1 ARG 30 3.213 -8.132 -7.160 580 HH12 ARG 30 2HH1 ARG 30 2.153 -9.518 -7.283 581 HH21 ARG 30 1HH2 ARG 30 3.444 -11.137 -4.466 582 HH22 ARG 30 2HH2 ARG 30 2.303 -11.228 -5.780 583 H ILE 31 H ILE 31 3.685 -4.451 -1.482 584 HA ILE 31 HA ILE 31 2.846 -2.095 -3.034 585 HB ILE 31 HB ILE 31 1.865 -1.719 -0.917 586 HG12 ILE 31 2HG1 ILE 31 4.589 -0.403 -0.789 587 HG13 ILE 31 1HG1 ILE 31 3.220 0.185 -1.727 588 HG21 ILE 31 1HG2 ILE 31 4.422 -2.694 0.344 589 HG22 ILE 31 2HG2 ILE 31 2.874 -3.539 0.308 590 HG23 ILE 31 3HG2 ILE 31 3.038 -2.039 1.221 591 HD11 ILE 31 1HD1 ILE 31 3.337 -0.058 1.272 592 HD12 ILE 31 2HD1 ILE 31 1.957 0.520 0.339 593 HD13 ILE 31 3HD1 ILE 31 3.467 1.431 0.336 594 H ALA 32 H ALA 32 4.498 -1.096 -4.013 595 HA ALA 32 HA ALA 32 7.193 -1.604 -2.965 596 HB1 ALA 32 1HB ALA 32 8.047 -1.904 -5.204 597 HB2 ALA 32 2HB ALA 32 6.438 -1.650 -5.878 598 HB3 ALA 32 3HB ALA 32 6.762 -3.069 -4.884 599 H TRP 33 H TRP 33 8.724 -0.044 -3.348 600 HA TRP 33 HA TRP 33 7.737 2.545 -4.323 601 HB2 TRP 33 2HB TRP 33 7.781 2.673 -1.904 602 HB3 TRP 33 1HB TRP 33 9.401 1.994 -1.854 603 HD1 TRP 33 HD TRP 33 7.537 5.251 -2.521 604 HE1 TRP 33 1HE TRP 33 9.235 7.188 -2.574 605 HE3 TRP 33 3HE TRP 33 11.866 2.539 -2.365 606 HZ2 TRP 33 2HZ TRP 33 12.032 7.512 -2.550 607 HZ3 TRP 33 3HZ TRP 33 14.011 3.740 -2.383 608 HH2 TRP 33 HH TRP 33 14.089 6.177 -2.473 609 H ALA 34 H ALA 34 9.093 3.582 -5.683 610 HA ALA 34 HA ALA 34 11.841 2.584 -5.952 611 HB1 ALA 34 1HB ALA 34 9.896 2.948 -8.231 612 HB2 ALA 34 2HB ALA 34 10.562 1.421 -7.653 613 HB3 ALA 34 3HB ALA 34 11.619 2.614 -8.409 614 HA PRO 35 HA PRO 35 12.701 6.936 -5.956 615 HB2 PRO 35 2HB PRO 35 15.164 6.233 -7.425 616 HB3 PRO 35 1HB PRO 35 14.982 7.007 -5.848 617 HG2 PRO 35 2HG PRO 35 15.849 4.477 -6.084 618 HG3 PRO 35 1HG PRO 35 14.831 4.996 -4.728 619 HD2 PRO 35 2HD PRO 35 14.079 3.466 -7.188 620 HD3 PRO 35 1HD PRO 35 13.530 3.250 -5.513 621 H GLU 36 H GLU 36 12.290 8.558 -7.372 622 HA GLU 36 HA GLU 36 11.139 8.053 -9.830 623 HB2 GLU 36 2HB GLU 36 12.330 10.566 -8.695 624 HB3 GLU 36 1HB GLU 36 11.517 10.529 -10.256 625 HG2 GLU 36 2HG GLU 36 10.255 9.607 -7.696 626 HG3 GLU 36 1HG GLU 36 10.102 11.242 -8.332 627 H GLY 37 H GLY 37 11.745 8.056 -11.890 628 HA2 GLY 37 2HA GLY 37 13.175 8.289 -13.727 629 HA3 GLY 37 1HA GLY 37 14.489 8.686 -12.626 630 H LYS 38 H LYS 38 13.205 6.117 -11.195 631 HA LYS 38 HA LYS 38 14.872 4.230 -12.741 632 HB2 LYS 38 2HB LYS 38 14.368 4.410 -9.775 633 HB3 LYS 38 1HB LYS 38 15.021 2.962 -10.531 634 HG2 LYS 38 2HG LYS 38 17.041 3.841 -10.323 635 HG3 LYS 38 1HG LYS 38 16.576 5.077 -11.493 636 HD2 LYS 38 2HD LYS 38 15.447 6.065 -9.240 637 HD3 LYS 38 1HD LYS 38 16.857 5.243 -8.567 638 HE2 LYS 38 2HE LYS 38 17.505 7.481 -9.035 639 HE3 LYS 38 1HE LYS 38 18.253 6.456 -10.258 640 HZ1 LYS 38 1HZ LYS 38 16.506 7.071 -11.801 641 HZ2 LYS 38 2HZ LYS 38 17.290 8.455 -11.224 642 HZ3 LYS 38 3HZ LYS 38 15.762 8.038 -10.623 643 H ASP 39 H ASP 39 14.079 2.201 -13.202 644 HA ASP 39 HA ASP 39 11.179 1.900 -12.873 645 HB2 ASP 39 2HB ASP 39 11.262 0.386 -14.747 646 HB3 ASP 39 1HB ASP 39 12.188 1.822 -15.173 647 H ARG 40 H ARG 40 13.838 1.018 -11.250 648 HA ARG 40 HA ARG 40 12.885 -1.696 -10.656 649 HB2 ARG 40 2HB ARG 40 15.361 -1.095 -11.335 650 HB3 ARG 40 1HB ARG 40 15.495 -0.644 -9.641 651 HG2 ARG 40 2HG ARG 40 16.254 -2.879 -9.833 652 HG3 ARG 40 1HG ARG 40 14.668 -2.940 -9.060 653 HD2 ARG 40 2HD ARG 40 14.948 -4.680 -10.787 654 HD3 ARG 40 1HD ARG 40 13.632 -3.566 -11.157 655 HE ARG 40 HE ARG 40 16.279 -3.538 -12.454 656 HH11 ARG 40 1HH1 ARG 40 12.835 -2.926 -12.506 657 HH12 ARG 40 2HH1 ARG 40 12.850 -2.261 -14.111 658 HH21 ARG 40 1HH2 ARG 40 16.269 -2.686 -14.606 659 HH22 ARG 40 2HH2 ARG 40 14.773 -2.113 -15.280 660 H PHE 41 H PHE 41 11.608 -1.821 -8.965 661 HA PHE 41 HA PHE 41 11.461 0.225 -6.969 662 HB2 PHE 41 2HB PHE 41 10.195 -2.523 -6.921 663 HB3 PHE 41 1HB PHE 41 9.703 -1.118 -5.985 664 HD1 PHE 41 1HD PHE 41 9.895 -2.489 -9.418 665 HD2 PHE 41 2HD PHE 41 8.177 0.439 -6.854 666 HE1 PHE 41 1HE PHE 41 8.302 -1.877 -11.190 667 HE2 PHE 41 2HE PHE 41 6.586 1.057 -8.623 668 HZ PHE 41 HZ PHE 41 6.646 -0.100 -10.792 669 H THR 42 H THR 42 12.734 0.389 -5.247 670 HA THR 42 HA THR 42 14.531 -1.731 -4.511 671 HB THR 42 HB THR 42 14.912 0.057 -2.557 672 HG1 THR 42 1HG THR 42 14.364 2.114 -3.242 673 HG21 THR 42 1HG2 THR 42 15.824 0.423 -5.414 674 HG22 THR 42 2HG2 THR 42 16.584 -0.615 -4.208 675 HG23 THR 42 3HG2 THR 42 16.588 1.135 -3.993 676 H ILE 43 H ILE 43 11.854 -0.011 -2.926 677 HA ILE 43 HA ILE 43 11.851 -1.885 -0.714 678 HB ILE 43 HB ILE 43 9.908 0.341 -1.370 679 HG12 ILE 43 2HG1 ILE 43 12.169 1.188 -0.936 680 HG13 ILE 43 1HG1 ILE 43 11.078 1.613 0.378 681 HG21 ILE 43 1HG2 ILE 43 10.258 -1.265 1.157 682 HG22 ILE 43 2HG2 ILE 43 8.893 -1.351 0.042 683 HG23 ILE 43 3HG2 ILE 43 9.188 0.124 0.964 684 HD11 ILE 43 1HD1 ILE 43 11.989 -0.235 1.707 685 HD12 ILE 43 2HD1 ILE 43 13.227 0.931 1.240 686 HD13 ILE 43 3HD1 ILE 43 13.105 -0.612 0.395 687 H SER 44 H SER 44 10.656 -3.701 -0.640 688 HA SER 44 HA SER 44 8.329 -3.952 -2.389 689 HB2 SER 44 2HB SER 44 10.644 -4.902 -3.275 690 HB3 SER 44 1HB SER 44 10.236 -6.238 -2.204 691 HG SER 44 HG SER 44 8.219 -6.379 -3.356 692 H HIS 45 H HIS 45 6.747 -4.320 -0.931 693 HA HIS 45 HA HIS 45 7.176 -6.471 1.038 694 HB2 HIS 45 2HB HIS 45 5.831 -3.806 1.502 695 HB3 HIS 45 1HB HIS 45 5.659 -5.177 2.588 696 HD1 HIS 45 1HD HIS 45 8.165 -6.076 3.505 697 HD2 HIS 45 2HD HIS 45 7.789 -2.153 2.206 698 HE1 HIS 45 1HE HIS 45 10.080 -4.797 4.544 699 H MET 46 H MET 46 5.661 -7.998 1.048 700 HA MET 46 HA MET 46 3.378 -7.621 -0.719 701 HB2 MET 46 2HB MET 46 4.691 -9.966 0.582 702 HB3 MET 46 1HB MET 46 2.975 -10.089 0.226 703 HG2 MET 46 2HG MET 46 4.236 -11.053 -1.566 704 HG3 MET 46 1HG MET 46 3.445 -9.585 -2.130 705 HE1 MET 46 1HE MET 46 6.607 -9.958 0.103 706 HE2 MET 46 2HE MET 46 7.929 -9.771 -1.050 707 HE3 MET 46 3HE MET 46 6.920 -11.217 -1.092 708 H TYR 47 H TYR 47 1.249 -7.825 0.004 709 HA TYR 47 HA TYR 47 0.661 -6.577 2.437 710 HB2 TYR 47 2HB TYR 47 -1.143 -8.332 0.755 711 HB3 TYR 47 1HB TYR 47 -1.682 -7.228 2.015 712 HD1 TYR 47 1HD TYR 47 0.075 -4.886 1.422 713 HD2 TYR 47 2HD TYR 47 -2.131 -7.432 -1.173 714 HE1 TYR 47 1HE TYR 47 -0.060 -3.071 -0.229 715 HE2 TYR 47 2HE TYR 47 -2.272 -5.623 -2.832 716 HH TYR 47 HH TYR 47 -1.459 -3.605 -3.423 717 H ALA 48 H ALA 48 1.204 -9.885 1.643 718 HA ALA 48 HA ALA 48 -0.026 -11.050 3.932 719 HB1 ALA 48 1HB ALA 48 1.083 -13.100 3.228 720 HB2 ALA 48 2HB ALA 48 2.059 -12.188 2.077 721 HB3 ALA 48 3HB ALA 48 0.313 -12.298 1.859 722 H ASP 49 H ASP 49 2.957 -9.408 3.468 723 HA ASP 49 HA ASP 49 4.177 -10.729 5.785 724 HB2 ASP 49 2HB ASP 49 5.552 -8.473 4.402 725 HB3 ASP 49 1HB ASP 49 6.234 -9.929 5.105 726 H ILE 50 H ILE 50 2.235 -8.102 5.081 727 HA ILE 50 HA ILE 50 3.385 -6.399 7.160 728 HB ILE 50 HB ILE 50 1.063 -5.845 5.308 729 HG12 ILE 50 2HG1 ILE 50 3.899 -4.802 5.158 730 HG13 ILE 50 1HG1 ILE 50 3.324 -6.176 4.223 731 HG21 ILE 50 1HG2 ILE 50 2.650 -3.965 7.054 732 HG22 ILE 50 2HG2 ILE 50 1.037 -4.573 7.427 733 HG23 ILE 50 3HG2 ILE 50 1.287 -3.545 6.016 734 HD11 ILE 50 1HD1 ILE 50 1.682 -4.734 3.130 735 HD12 ILE 50 2HD1 ILE 50 3.332 -4.160 2.891 736 HD13 ILE 50 3HD1 ILE 50 2.282 -3.360 4.060 737 H LYS 51 H LYS 51 2.596 -6.308 9.150 738 HA LYS 51 HA LYS 51 0.382 -7.970 9.942 739 HB2 LYS 51 2HB LYS 51 2.343 -7.785 11.379 740 HB3 LYS 51 1HB LYS 51 2.128 -6.045 11.496 741 HG2 LYS 51 2HG LYS 51 -0.155 -6.607 12.532 742 HG3 LYS 51 1HG LYS 51 0.507 -8.229 12.742 743 HD2 LYS 51 2HD LYS 51 1.845 -5.721 13.748 744 HD3 LYS 51 1HD LYS 51 0.774 -6.723 14.728 745 HE2 LYS 51 2HE LYS 51 2.521 -7.984 15.264 746 HE3 LYS 51 1HE LYS 51 2.642 -8.472 13.575 747 HZ1 LYS 51 1HZ LYS 51 4.104 -6.585 13.169 748 HZ2 LYS 51 2HZ LYS 51 4.731 -7.582 14.387 749 HZ3 LYS 51 3HZ LYS 51 3.984 -6.117 14.794 750 H CYS 52 H CYS 52 1.112 -4.528 10.347 751 HA CYS 52 HA CYS 52 -1.617 -3.785 9.708 752 HB2 CYS 52 2HB CYS 52 -1.633 -2.297 11.813 753 HB3 CYS 52 1HB CYS 52 -1.965 -4.011 12.035 754 HG CYS 52 HG CYS 52 0.176 -2.202 13.598 755 H GLN 53 H GLN 53 -1.580 -1.098 10.085 756 HA GLN 53 HA GLN 53 1.061 -0.225 9.182 757 HB2 GLN 53 2HB GLN 53 -0.219 1.140 7.413 758 HB3 GLN 53 1HB GLN 53 -0.041 -0.575 7.120 759 HG2 GLN 53 2HG GLN 53 -2.246 -1.018 7.516 760 HG3 GLN 53 1HG GLN 53 -2.461 0.405 8.533 761 HE21 GLN 53 1HE2 GLN 53 -4.183 -0.365 6.481 762 HE22 GLN 53 2HE2 GLN 53 -4.148 0.866 5.265 763 H LYS 54 H LYS 54 1.114 2.224 9.224 764 HA LYS 54 HA LYS 54 -0.867 3.472 11.010 765 HB2 LYS 54 2HB LYS 54 2.103 3.890 11.474 766 HB3 LYS 54 1HB LYS 54 0.760 4.415 12.463 767 HG2 LYS 54 2HG LYS 54 0.507 1.671 12.442 768 HG3 LYS 54 1HG LYS 54 2.250 1.950 12.541 769 HD2 LYS 54 2HD LYS 54 1.185 3.825 14.263 770 HD3 LYS 54 1HD LYS 54 0.176 2.402 14.523 771 HE2 LYS 54 2HE LYS 54 3.173 2.366 14.552 772 HE3 LYS 54 1HE LYS 54 2.177 2.566 15.992 773 HZ1 LYS 54 1HZ LYS 54 1.181 0.417 15.587 774 HZ2 LYS 54 2HZ LYS 54 2.869 0.259 15.666 775 HZ3 LYS 54 3HZ LYS 54 2.085 0.226 14.168 776 H ILE 55 H ILE 55 -0.531 5.865 10.957 777 HA ILE 55 HA ILE 55 0.894 6.750 8.512 778 HB ILE 55 HB ILE 55 -1.173 8.314 8.204 779 HG12 ILE 55 2HG1 ILE 55 -2.294 6.114 9.918 780 HG13 ILE 55 1HG1 ILE 55 -2.182 7.816 10.318 781 HG21 ILE 55 1HG2 ILE 55 -1.473 5.370 7.604 782 HG22 ILE 55 2HG2 ILE 55 -0.584 6.528 6.614 783 HG23 ILE 55 3HG2 ILE 55 -2.330 6.687 6.803 784 HD11 ILE 55 1HD1 ILE 55 -4.429 7.208 9.815 785 HD12 ILE 55 2HD1 ILE 55 -3.948 6.590 8.235 786 HD13 ILE 55 3HD1 ILE 55 -3.816 8.315 8.588 787 H SER 56 H SER 56 2.066 8.682 8.911 788 HA SER 56 HA SER 56 1.764 9.854 11.499 789 HB2 SER 56 2HB SER 56 3.082 11.819 10.270 790 HB3 SER 56 1HB SER 56 3.897 10.341 10.774 791 HG SER 56 HG SER 56 3.908 11.317 8.423 792 HA PRO 57 HA PRO 57 -2.232 11.412 10.577 793 HB2 PRO 57 2HB PRO 57 -2.302 13.008 12.842 794 HB3 PRO 57 1HB PRO 57 -2.724 11.294 12.772 795 HG2 PRO 57 2HG PRO 57 -0.151 12.578 13.595 796 HG3 PRO 57 1HG PRO 57 -1.009 11.210 14.333 797 HD2 PRO 57 2HD PRO 57 1.098 10.803 12.791 798 HD3 PRO 57 1HD PRO 57 -0.317 9.733 12.689 799 H GLU 58 H GLU 58 -3.336 13.501 10.403 800 HA GLU 58 HA GLU 58 -1.886 15.479 9.041 801 HB2 GLU 58 2HB GLU 58 -4.651 15.327 10.207 802 HB3 GLU 58 1HB GLU 58 -4.048 16.863 9.602 803 HG2 GLU 58 2HG GLU 58 -5.144 16.052 7.765 804 HG3 GLU 58 1HG GLU 58 -3.502 15.497 7.457 805 H GLY 59 H GLY 59 -1.151 17.493 9.719 806 HA2 GLY 59 2HA GLY 59 -1.018 19.198 11.479 807 HA3 GLY 59 1HA GLY 59 -1.033 17.877 12.646 808 H LYS 60 H LYS 60 0.714 16.165 11.106 809 HA LYS 60 HA LYS 60 3.249 17.146 11.951 810 HB2 LYS 60 2HB LYS 60 2.296 14.762 10.432 811 HB3 LYS 60 1HB LYS 60 3.977 15.215 10.241 812 HG2 LYS 60 2HG LYS 60 4.020 15.161 12.843 813 HG3 LYS 60 1HG LYS 60 2.558 14.183 12.655 814 HD2 LYS 60 2HD LYS 60 3.667 12.483 11.580 815 HD3 LYS 60 1HD LYS 60 4.945 13.541 10.992 816 HE2 LYS 60 2HE LYS 60 4.578 12.555 13.809 817 HE3 LYS 60 1HE LYS 60 5.787 12.001 12.659 818 HZ1 LYS 60 1HZ LYS 60 6.779 13.513 14.186 819 HZ2 LYS 60 2HZ LYS 60 5.605 14.695 13.873 820 HZ3 LYS 60 3HZ LYS 60 6.711 14.266 12.659 821 H ALA 61 H ALA 61 5.045 17.698 10.567 822 HA ALA 61 HA ALA 61 4.251 19.354 8.363 823 HB1 ALA 61 1HB ALA 61 6.654 19.860 8.167 824 HB2 ALA 61 2HB ALA 61 7.002 18.625 9.377 825 HB3 ALA 61 3HB ALA 61 6.070 20.056 9.819 826 H LYS 62 H LYS 62 4.864 16.104 8.715 827 HA LYS 62 HA LYS 62 5.208 15.782 5.833 828 HB2 LYS 62 2HB LYS 62 6.840 14.383 7.960 829 HB3 LYS 62 1HB LYS 62 6.802 13.896 6.272 830 HG2 LYS 62 2HG LYS 62 8.428 15.328 5.834 831 HG3 LYS 62 1HG LYS 62 7.388 16.662 6.333 832 HD2 LYS 62 2HD LYS 62 8.919 17.020 7.929 833 HD3 LYS 62 1HD LYS 62 8.209 15.618 8.732 834 HE2 LYS 62 2HE LYS 62 9.834 14.169 7.589 835 HE3 LYS 62 1HE LYS 62 10.561 15.590 6.844 836 HZ1 LYS 62 1HZ LYS 62 11.725 14.764 8.858 837 HZ2 LYS 62 2HZ LYS 62 10.367 15.183 9.782 838 HZ3 LYS 62 3HZ LYS 62 11.251 16.391 8.966 839 H ILE 63 H ILE 63 3.208 14.993 5.422 840 HA ILE 63 HA ILE 63 1.842 13.114 7.102 841 HB ILE 63 HB ILE 63 1.277 13.688 4.189 842 HG12 ILE 63 2HG1 ILE 63 -0.338 15.152 6.129 843 HG13 ILE 63 1HG1 ILE 63 1.366 15.589 6.210 844 HG21 ILE 63 1HG2 ILE 63 -0.464 12.752 6.463 845 HG22 ILE 63 2HG2 ILE 63 0.054 11.807 5.067 846 HG23 ILE 63 3HG2 ILE 63 -1.047 13.168 4.852 847 HD11 ILE 63 1HD1 ILE 63 0.170 17.057 4.710 848 HD12 ILE 63 2HD1 ILE 63 -0.379 15.675 3.761 849 HD13 ILE 63 3HD1 ILE 63 1.336 16.084 3.813 850 H GLN 64 H GLN 64 2.392 10.952 7.247 851 HA GLN 64 HA GLN 64 3.474 9.720 4.788 852 HB2 GLN 64 2HB GLN 64 4.854 9.426 7.454 853 HB3 GLN 64 1HB GLN 64 5.395 8.794 5.908 854 HG2 GLN 64 2HG GLN 64 6.073 10.874 5.150 855 HG3 GLN 64 1HG GLN 64 5.045 11.736 6.293 856 HE21 GLN 64 1HE2 GLN 64 5.844 10.060 8.520 857 HE22 GLN 64 2HE2 GLN 64 7.452 10.530 8.947 858 H LEU 65 H LEU 65 3.853 7.355 5.032 859 HA LEU 65 HA LEU 65 1.788 6.120 6.742 860 HB2 LEU 65 2HB LEU 65 1.369 5.995 4.265 861 HB3 LEU 65 1HB LEU 65 2.848 5.065 4.116 862 HG LEU 65 HG LEU 65 1.621 3.570 5.962 863 HD11 LEU 65 1HD1 LEU 65 -0.746 3.360 5.456 864 HD12 LEU 65 2HD1 LEU 65 -0.637 4.730 4.350 865 HD13 LEU 65 3HD1 LEU 65 -0.360 4.965 6.076 866 HD21 LEU 65 1HD2 LEU 65 2.490 2.743 3.876 867 HD22 LEU 65 2HD2 LEU 65 1.118 3.432 3.005 868 HD23 LEU 65 3HD2 LEU 65 0.865 2.118 4.155 869 H GLN 66 H GLN 66 2.346 4.247 7.836 870 HA GLN 66 HA GLN 66 5.169 3.418 7.715 871 HB2 GLN 66 2HB GLN 66 4.618 4.773 9.730 872 HB3 GLN 66 1HB GLN 66 3.418 3.572 10.172 873 HG2 GLN 66 2HG GLN 66 5.062 1.928 10.572 874 HG3 GLN 66 1HG GLN 66 6.320 2.904 9.815 875 HE21 GLN 66 1HE2 GLN 66 7.225 4.595 10.928 876 HE22 GLN 66 2HE2 GLN 66 7.013 4.812 12.635 877 H LEU 67 H LEU 67 5.326 1.363 7.087 878 HA LEU 67 HA LEU 67 3.018 -0.404 7.404 879 HB2 LEU 67 2HB LEU 67 5.558 -0.604 5.807 880 HB3 LEU 67 1HB LEU 67 4.470 -1.962 6.000 881 HG LEU 67 HG LEU 67 3.846 0.666 4.663 882 HD11 LEU 67 1HD1 LEU 67 5.239 -0.849 3.353 883 HD12 LEU 67 2HD1 LEU 67 3.619 -0.723 2.666 884 HD13 LEU 67 3HD1 LEU 67 4.072 -2.148 3.603 885 HD21 LEU 67 1HD2 LEU 67 2.065 -1.739 5.057 886 HD22 LEU 67 2HD2 LEU 67 1.662 -0.265 4.177 887 HD23 LEU 67 3HD2 LEU 67 1.914 -0.210 5.922 888 H VAL 68 H VAL 68 2.942 -1.451 9.309 889 HA VAL 68 HA VAL 68 5.448 -2.271 10.561 890 HB VAL 68 HB VAL 68 2.608 -2.301 11.595 891 HG11 VAL 68 1HG1 VAL 68 5.131 -3.348 12.875 892 HG12 VAL 68 2HG1 VAL 68 3.673 -4.261 12.489 893 HG13 VAL 68 3HG1 VAL 68 3.635 -3.030 13.754 894 HG21 VAL 68 1HG2 VAL 68 3.714 -0.128 11.557 895 HG22 VAL 68 2HG2 VAL 68 5.075 -0.802 12.452 896 HG23 VAL 68 3HG2 VAL 68 3.488 -0.696 13.211 897 H LEU 69 H LEU 69 6.251 -4.074 9.835 898 HA LEU 69 HA LEU 69 4.663 -6.071 8.578 899 HB2 LEU 69 2HB LEU 69 7.551 -6.173 9.410 900 HB3 LEU 69 1HB LEU 69 6.745 -7.313 8.346 901 HG LEU 69 HG LEU 69 7.744 -4.589 7.800 902 HD11 LEU 69 1HD1 LEU 69 8.248 -5.617 5.638 903 HD12 LEU 69 2HD1 LEU 69 7.449 -7.095 6.176 904 HD13 LEU 69 3HD1 LEU 69 8.909 -6.534 6.992 905 HD21 LEU 69 1HD2 LEU 69 6.265 -4.242 5.912 906 HD22 LEU 69 2HD2 LEU 69 5.380 -4.230 7.437 907 HD23 LEU 69 3HD2 LEU 69 5.316 -5.649 6.390 908 H HIS 70 H HIS 70 5.367 -8.482 9.303 909 HA HIS 70 HA HIS 70 3.864 -8.934 11.634 910 HB2 HIS 70 2HB HIS 70 5.573 -10.738 9.952 911 HB3 HIS 70 1HB HIS 70 4.702 -11.324 11.368 912 HD1 HIS 70 1HD HIS 70 2.110 -9.509 10.796 913 HD2 HIS 70 2HD HIS 70 4.003 -12.060 8.131 914 HE1 HIS 70 1HE HIS 70 0.399 -10.080 9.033 915 H ALA 71 H ALA 71 7.402 -9.143 11.156 916 HA ALA 71 HA ALA 71 7.874 -10.082 13.808 917 HB1 ALA 71 1HB ALA 71 10.222 -9.713 13.329 918 HB2 ALA 71 2HB ALA 71 9.803 -8.774 11.895 919 HB3 ALA 71 3HB ALA 71 9.433 -10.497 11.961 920 H GLY 72 H GLY 72 7.353 -6.979 12.451 921 HA2 GLY 72 2HA GLY 72 6.714 -5.244 14.120 922 HA3 GLY 72 1HA GLY 72 8.165 -5.717 15.002 923 H ASP 73 H ASP 73 8.229 -5.756 11.628 924 HA ASP 73 HA ASP 73 10.330 -3.818 11.449 925 HB2 ASP 73 2HB ASP 73 8.896 -4.961 9.077 926 HB3 ASP 73 1HB ASP 73 10.606 -4.634 9.273 927 H THR 74 H THR 74 10.169 -1.870 10.102 928 HA THR 74 HA THR 74 7.429 -1.052 9.495 929 HB THR 74 HB THR 74 7.898 1.212 10.545 930 HG1 THR 74 1HG THR 74 10.205 0.809 10.786 931 HG21 THR 74 1HG2 THR 74 7.332 0.501 12.820 932 HG22 THR 74 2HG2 THR 74 7.763 -1.158 12.406 933 HG23 THR 74 3HG2 THR 74 6.394 -0.377 11.613 934 H THR 75 H THR 75 7.274 -0.010 7.652 935 HA THR 75 HA THR 75 9.698 1.163 6.458 936 HB THR 75 HB THR 75 7.302 0.513 4.794 937 HG1 THR 75 1HG THR 75 8.786 -1.636 4.694 938 HG21 THR 75 1HG2 THR 75 10.271 0.216 4.314 939 HG22 THR 75 2HG2 THR 75 9.308 1.619 3.851 940 HG23 THR 75 3HG2 THR 75 8.992 0.049 3.112 941 H ASN 76 H ASN 76 9.675 3.332 6.198 942 HA ASN 76 HA ASN 76 7.136 4.729 6.672 943 HB2 ASN 76 2HB ASN 76 9.981 5.357 7.240 944 HB3 ASN 76 1HB ASN 76 8.924 6.711 6.852 945 HD21 ASN 76 1HD2 ASN 76 9.435 7.361 9.043 946 HD22 ASN 76 2HD2 ASN 76 8.499 6.716 10.339 947 H PHE 77 H PHE 77 6.122 5.661 5.061 948 HA PHE 77 HA PHE 77 7.667 6.440 2.672 949 HB2 PHE 77 2HB PHE 77 4.822 5.438 2.871 950 HB3 PHE 77 1HB PHE 77 5.538 6.093 1.401 951 HD1 PHE 77 1HD PHE 77 8.000 4.986 0.973 952 HD2 PHE 77 2HD PHE 77 4.693 3.155 2.926 953 HE1 PHE 77 1HE PHE 77 8.906 2.769 0.417 954 HE2 PHE 77 2HE PHE 77 5.592 0.935 2.373 955 HZ PHE 77 HZ PHE 77 7.699 0.739 1.118 956 H HIS 78 H HIS 78 7.923 8.543 2.649 957 HA HIS 78 HA HIS 78 5.990 10.320 3.911 958 HB2 HIS 78 2HB HIS 78 8.318 10.695 4.394 959 HB3 HIS 78 1HB HIS 78 8.715 10.754 2.686 960 HD1 HIS 78 1HD HIS 78 9.841 13.091 3.382 961 HD2 HIS 78 2HD HIS 78 5.687 12.937 3.546 962 HE1 HIS 78 1HE HIS 78 9.033 15.492 3.393 963 H PHE 79 H PHE 79 4.426 11.276 2.817 964 HA PHE 79 HA PHE 79 4.447 11.258 -0.086 965 HB2 PHE 79 2HB PHE 79 2.382 12.208 1.920 966 HB3 PHE 79 1HB PHE 79 2.147 12.201 0.176 967 HD1 PHE 79 1HD PHE 79 1.541 10.228 -0.968 968 HD2 PHE 79 2HD PHE 79 2.667 10.048 3.131 969 HE1 PHE 79 1HE PHE 79 0.743 7.904 -0.854 970 HE2 PHE 79 2HE PHE 79 1.872 7.724 3.252 971 HZ PHE 79 HZ PHE 79 0.904 6.651 1.259 972 H SER 80 H SER 80 6.020 12.713 -0.662 973 HA SER 80 HA SER 80 6.077 15.350 0.525 974 HB2 SER 80 2HB SER 80 7.937 15.507 -1.391 975 HB3 SER 80 1HB SER 80 8.244 14.744 0.167 976 HG SER 80 HG SER 80 8.873 13.468 -1.681 977 H ASN 81 H ASN 81 4.085 14.114 -1.710 978 HA ASN 81 HA ASN 81 4.296 16.161 -3.723 979 HB2 ASN 81 2HB ASN 81 3.361 13.878 -4.192 980 HB3 ASN 81 1HB ASN 81 1.955 14.310 -3.221 981 HD21 ASN 81 1HD2 ASN 81 0.646 13.988 -5.063 982 HD22 ASN 81 2HD2 ASN 81 0.574 15.183 -6.322 983 H GLU 82 H GLU 82 4.011 18.157 -2.995 984 HA GLU 82 HA GLU 82 2.404 18.966 -0.860 985 HB2 GLU 82 2HB GLU 82 3.277 20.610 -3.242 986 HB3 GLU 82 1HB GLU 82 2.764 21.236 -1.682 987 HG2 GLU 82 2HG GLU 82 5.017 21.366 -1.427 988 HG3 GLU 82 1HG GLU 82 4.744 19.741 -0.803 989 H SER 83 H SER 83 1.464 18.089 -4.016 990 HA SER 83 HA SER 83 -0.818 19.765 -4.249 991 HB2 SER 83 2HB SER 83 -0.607 17.130 -5.656 992 HB3 SER 83 1HB SER 83 -1.216 18.673 -6.255 993 HG SER 83 HG SER 83 1.411 17.733 -6.077 994 H THR 84 H THR 84 -0.638 16.210 -3.681 995 HA THR 84 HA THR 84 -3.088 16.489 -2.083 996 HB THR 84 HB THR 84 -3.555 14.085 -3.165 997 HG1 THR 84 1HG THR 84 -1.737 14.161 -4.551 998 HG21 THR 84 1HG2 THR 84 -5.126 15.952 -3.132 999 HG22 THR 84 2HG2 THR 84 -5.082 15.207 -4.730 1000 HG23 THR 84 3HG2 THR 84 -4.245 16.733 -4.445 1001 H ALA 85 H ALA 85 -0.390 16.184 -1.105 1002 HA ALA 85 HA ALA 85 0.496 13.671 -0.481 1003 HB1 ALA 85 1HB ALA 85 0.498 16.011 1.417 1004 HB2 ALA 85 2HB ALA 85 1.664 15.751 0.121 1005 HB3 ALA 85 3HB ALA 85 1.573 14.614 1.466 1006 H VAL 86 H VAL 86 -2.033 15.471 1.197 1007 HA VAL 86 HA VAL 86 -2.361 13.583 3.296 1008 HB VAL 86 HB VAL 86 -4.154 15.785 2.280 1009 HG11 VAL 86 1HG1 VAL 86 -5.433 15.561 4.332 1010 HG12 VAL 86 2HG1 VAL 86 -4.415 14.215 4.844 1011 HG13 VAL 86 3HG1 VAL 86 -5.463 14.042 3.434 1012 HG21 VAL 86 1HG2 VAL 86 -3.416 16.970 4.301 1013 HG22 VAL 86 2HG2 VAL 86 -2.085 16.604 3.203 1014 HG23 VAL 86 3HG2 VAL 86 -2.318 15.636 4.658 1015 H LYS 87 H LYS 87 -3.936 14.111 0.177 1016 HA LYS 87 HA LYS 87 -5.934 12.117 0.736 1017 HB2 LYS 87 2HB LYS 87 -5.401 13.867 -1.643 1018 HB3 LYS 87 1HB LYS 87 -6.625 12.598 -1.668 1019 HG2 LYS 87 2HG LYS 87 -6.561 15.136 -0.103 1020 HG3 LYS 87 1HG LYS 87 -7.887 14.403 -1.013 1021 HD2 LYS 87 2HD LYS 87 -8.435 12.956 0.689 1022 HD3 LYS 87 1HD LYS 87 -6.803 12.951 1.351 1023 HE2 LYS 87 2HE LYS 87 -7.273 15.389 1.997 1024 HE3 LYS 87 1HE LYS 87 -8.968 15.001 1.698 1025 HZ1 LYS 87 1HZ LYS 87 -7.720 13.006 3.316 1026 HZ2 LYS 87 2HZ LYS 87 -9.097 13.942 3.636 1027 HZ3 LYS 87 3HZ LYS 87 -7.565 14.541 4.021 1028 H GLU 88 H GLU 88 -2.946 12.242 -1.155 1029 HA GLU 88 HA GLU 88 -3.408 9.720 -2.400 1030 HB2 GLU 88 2HB GLU 88 -0.855 11.264 -1.880 1031 HB3 GLU 88 1HB GLU 88 -0.886 9.723 -2.721 1032 HG2 GLU 88 2HG GLU 88 -2.029 10.595 -4.543 1033 HG3 GLU 88 1HG GLU 88 -2.578 12.008 -3.643 1034 H ARG 89 H ARG 89 -2.063 10.793 0.649 1035 HA ARG 89 HA ARG 89 -1.087 8.276 1.506 1036 HB2 ARG 89 2HB ARG 89 -0.452 10.337 2.688 1037 HB3 ARG 89 1HB ARG 89 -2.128 10.590 3.166 1038 HG2 ARG 89 2HG ARG 89 -1.666 8.067 4.086 1039 HG3 ARG 89 1HG ARG 89 -0.092 8.828 4.306 1040 HD2 ARG 89 2HD ARG 89 -1.568 9.009 6.281 1041 HD3 ARG 89 1HD ARG 89 -1.054 10.565 5.642 1042 HE ARG 89 HE ARG 89 -3.599 9.722 4.621 1043 HH11 ARG 89 1HH1 ARG 89 -1.998 11.272 7.320 1044 HH12 ARG 89 2HH1 ARG 89 -3.407 12.176 7.807 1045 HH21 ARG 89 1HH2 ARG 89 -5.466 10.917 5.268 1046 HH22 ARG 89 2HH2 ARG 89 -5.341 12.015 6.624 1047 H ASP 90 H ASP 90 -4.162 9.931 1.688 1048 HA ASP 90 HA ASP 90 -5.540 8.105 3.320 1049 HB2 ASP 90 2HB ASP 90 -6.366 10.187 1.334 1050 HB3 ASP 90 1HB ASP 90 -7.574 9.044 1.908 1051 H ALA 91 H ALA 91 -5.161 8.341 -0.189 1052 HA ALA 91 HA ALA 91 -6.789 6.215 -0.929 1053 HB1 ALA 91 1HB ALA 91 -4.257 7.152 -2.272 1054 HB2 ALA 91 2HB ALA 91 -5.864 7.832 -2.519 1055 HB3 ALA 91 3HB ALA 91 -5.525 6.173 -3.011 1056 H VAL 92 H VAL 92 -3.312 6.270 -0.192 1057 HA VAL 92 HA VAL 92 -2.903 3.489 -0.552 1058 HB VAL 92 HB VAL 92 -1.307 5.435 1.129 1059 HG11 VAL 92 1HG1 VAL 92 -0.661 2.662 0.142 1060 HG12 VAL 92 2HG1 VAL 92 -0.769 3.212 1.815 1061 HG13 VAL 92 3HG1 VAL 92 0.539 3.786 0.782 1062 HG21 VAL 92 1HG2 VAL 92 0.192 5.546 -0.802 1063 HG22 VAL 92 2HG2 VAL 92 -1.429 6.116 -1.201 1064 HG23 VAL 92 3HG2 VAL 92 -0.908 4.510 -1.711 1065 H LYS 93 H LYS 93 -3.571 5.473 2.296 1066 HA LYS 93 HA LYS 93 -3.276 3.509 4.260 1067 HB2 LYS 93 2HB LYS 93 -3.381 5.866 4.790 1068 HB3 LYS 93 1HB LYS 93 -5.015 5.978 4.156 1069 HG2 LYS 93 2HG LYS 93 -4.895 3.977 6.200 1070 HG3 LYS 93 1HG LYS 93 -4.221 5.496 6.791 1071 HD2 LYS 93 2HD LYS 93 -6.911 5.179 5.460 1072 HD3 LYS 93 1HD LYS 93 -6.642 5.324 7.199 1073 HE2 LYS 93 2HE LYS 93 -6.205 7.535 7.088 1074 HE3 LYS 93 1HE LYS 93 -5.433 7.412 5.508 1075 HZ1 LYS 93 1HZ LYS 93 -7.891 6.899 4.760 1076 HZ2 LYS 93 2HZ LYS 93 -7.338 8.500 4.948 1077 HZ3 LYS 93 3HZ LYS 93 -8.263 7.776 6.165 1078 H ASP 94 H ASP 94 -6.237 4.679 2.686 1079 HA ASP 94 HA ASP 94 -7.966 2.828 3.928 1080 HB2 ASP 94 2HB ASP 94 -8.152 4.801 1.728 1081 HB3 ASP 94 1HB ASP 94 -9.367 3.533 1.757 1082 H LEU 95 H LEU 95 -6.256 2.753 0.858 1083 HA LEU 95 HA LEU 95 -7.585 0.379 -0.069 1084 HB2 LEU 95 2HB LEU 95 -6.354 2.176 -1.470 1085 HB3 LEU 95 1HB LEU 95 -4.890 1.314 -1.035 1086 HG LEU 95 HG LEU 95 -5.753 -0.716 -2.106 1087 HD11 LEU 95 1HD1 LEU 95 -8.128 1.022 -2.748 1088 HD12 LEU 95 2HD1 LEU 95 -8.110 -0.465 -1.800 1089 HD13 LEU 95 3HD1 LEU 95 -7.788 -0.521 -3.534 1090 HD21 LEU 95 1HD2 LEU 95 -5.629 0.065 -4.422 1091 HD22 LEU 95 2HD2 LEU 95 -4.404 0.833 -3.412 1092 HD23 LEU 95 3HD2 LEU 95 -5.854 1.726 -3.874 1093 H LEU 96 H LEU 96 -4.781 1.078 1.892 1094 HA LEU 96 HA LEU 96 -3.677 -1.528 1.700 1095 HB2 LEU 96 2HB LEU 96 -3.233 0.812 3.449 1096 HB3 LEU 96 1HB LEU 96 -2.723 -0.755 4.057 1097 HG LEU 96 HG LEU 96 -1.830 0.548 1.488 1098 HD11 LEU 96 1HD1 LEU 96 -0.356 -0.090 4.032 1099 HD12 LEU 96 2HD1 LEU 96 -0.832 1.516 3.480 1100 HD13 LEU 96 3HD1 LEU 96 0.358 0.586 2.569 1101 HD21 LEU 96 1HD2 LEU 96 -0.324 -1.364 1.252 1102 HD22 LEU 96 2HD2 LEU 96 -2.017 -1.856 1.198 1103 HD23 LEU 96 3HD2 LEU 96 -1.069 -2.121 2.660 1104 H GLN 97 H GLN 97 -5.600 0.024 4.370 1105 HA GLN 97 HA GLN 97 -6.042 -2.270 5.835 1106 HB2 GLN 97 2HB GLN 97 -8.418 -1.113 6.183 1107 HB3 GLN 97 1HB GLN 97 -6.950 -0.466 6.903 1108 HG2 GLN 97 2HG GLN 97 -6.849 0.861 4.646 1109 HG3 GLN 97 1HG GLN 97 -8.580 0.534 4.645 1110 HE21 GLN 97 1HE2 GLN 97 -7.054 0.788 7.683 1111 HE22 GLN 97 2HE2 GLN 97 -7.603 2.381 8.071 1112 H GLN 98 H GLN 98 -7.297 -1.380 2.761 1113 HA GLN 98 HA GLN 98 -9.411 -3.295 2.671 1114 HB2 GLN 98 2HB GLN 98 -8.120 -1.384 0.810 1115 HB3 GLN 98 1HB GLN 98 -8.960 -2.740 0.081 1116 HG2 GLN 98 2HG GLN 98 -10.393 -1.277 2.198 1117 HG3 GLN 98 1HG GLN 98 -10.143 -0.434 0.667 1118 HE21 GLN 98 1HE2 GLN 98 -11.548 -3.218 2.200 1119 HE22 GLN 98 2HE2 GLN 98 -12.634 -3.620 0.920 1120 H LEU 99 H LEU 99 -6.271 -3.129 0.970 1121 HA LEU 99 HA LEU 99 -6.532 -5.828 0.022 1122 HB2 LEU 99 2HB LEU 99 -4.270 -3.860 -0.165 1123 HB3 LEU 99 1HB LEU 99 -4.307 -5.415 -0.975 1124 HG LEU 99 HG LEU 99 -6.506 -3.438 -1.424 1125 HD11 LEU 99 1HD1 LEU 99 -3.835 -3.491 -2.822 1126 HD12 LEU 99 2HD1 LEU 99 -4.486 -2.177 -1.841 1127 HD13 LEU 99 3HD1 LEU 99 -5.250 -2.596 -3.375 1128 HD21 LEU 99 1HD2 LEU 99 -6.819 -5.701 -2.235 1129 HD22 LEU 99 2HD2 LEU 99 -5.284 -5.622 -3.100 1130 HD23 LEU 99 3HD2 LEU 99 -6.625 -4.584 -3.586 1131 H LEU 100 H LEU 100 -4.651 -4.284 2.581 1132 HA LEU 100 HA LEU 100 -2.666 -6.110 3.020 1133 HB2 LEU 100 2HB LEU 100 -4.148 -4.302 4.870 1134 HB3 LEU 100 1HB LEU 100 -2.996 -5.448 5.533 1135 HG LEU 100 HG LEU 100 -2.357 -3.377 3.437 1136 HD11 LEU 100 1HD1 LEU 100 -1.667 -3.413 6.382 1137 HD12 LEU 100 2HD1 LEU 100 -2.801 -2.314 5.597 1138 HD13 LEU 100 3HD1 LEU 100 -1.084 -2.240 5.201 1139 HD21 LEU 100 1HD2 LEU 100 -0.040 -4.021 3.841 1140 HD22 LEU 100 2HD2 LEU 100 -0.999 -5.377 3.248 1141 HD23 LEU 100 3HD2 LEU 100 -0.585 -5.272 4.959 1142 HA PRO 101 HA PRO 101 -5.230 -8.939 5.831 1143 HB2 PRO 101 2HB PRO 101 -7.828 -8.514 6.318 1144 HB3 PRO 101 1HB PRO 101 -6.565 -7.639 7.193 1145 HG2 PRO 101 2HG PRO 101 -8.241 -6.739 4.883 1146 HG3 PRO 101 1HG PRO 101 -7.785 -5.851 6.348 1147 HD2 PRO 101 2HD PRO 101 -6.527 -5.565 3.929 1148 HD3 PRO 101 1HD PRO 101 -5.756 -5.244 5.492 1149 H LYS 102 H LYS 102 -6.304 -7.951 2.775 1150 HA LYS 102 HA LYS 102 -8.105 -10.179 2.347 1151 HB2 LYS 102 2HB LYS 102 -7.178 -7.863 0.715 1152 HB3 LYS 102 1HB LYS 102 -7.749 -9.289 -0.142 1153 HG2 LYS 102 2HG LYS 102 -9.829 -9.123 1.331 1154 HG3 LYS 102 1HG LYS 102 -9.259 -7.504 1.735 1155 HD2 LYS 102 2HD LYS 102 -9.754 -8.496 -1.072 1156 HD3 LYS 102 1HD LYS 102 -10.905 -7.551 -0.129 1157 HE2 LYS 102 2HE LYS 102 -9.078 -5.805 0.082 1158 HE3 LYS 102 1HE LYS 102 -8.202 -6.711 -1.150 1159 HZ1 LYS 102 1HZ LYS 102 -9.531 -4.856 -2.049 1160 HZ2 LYS 102 2HZ LYS 102 -10.941 -5.621 -1.513 1161 HZ3 LYS 102 3HZ LYS 102 -9.976 -6.355 -2.696 1162 H PHE 103 H PHE 103 -4.791 -9.309 1.661 1163 HA PHE 103 HA PHE 103 -4.366 -11.877 0.301 1164 HB2 PHE 103 2HB PHE 103 -2.702 -9.357 0.431 1165 HB3 PHE 103 1HB PHE 103 -2.128 -10.855 -0.295 1166 HD1 PHE 103 1HD PHE 103 -4.427 -8.040 -0.623 1167 HD2 PHE 103 2HD PHE 103 -3.047 -11.658 -2.386 1168 HE1 PHE 103 1HE PHE 103 -5.531 -7.428 -2.733 1169 HE2 PHE 103 2HE PHE 103 -4.146 -11.050 -4.501 1170 HZ PHE 103 HZ PHE 103 -5.388 -8.932 -4.674 1171 H LYS 104 H LYS 104 -4.689 -11.224 3.206 1172 HA LYS 104 HA LYS 104 -2.460 -12.826 4.193 1173 HB2 LYS 104 2HB LYS 104 -1.662 -10.639 4.683 1174 HB3 LYS 104 1HB LYS 104 -3.258 -10.073 5.140 1175 HG2 LYS 104 2HG LYS 104 -3.113 -11.612 7.125 1176 HG3 LYS 104 1HG LYS 104 -1.419 -11.864 6.698 1177 HD2 LYS 104 2HD LYS 104 -1.717 -10.110 8.407 1178 HD3 LYS 104 1HD LYS 104 -0.971 -9.499 6.930 1179 HE2 LYS 104 2HE LYS 104 -3.259 -8.756 6.209 1180 HE3 LYS 104 1HE LYS 104 -3.822 -9.162 7.830 1181 HZ1 LYS 104 1HZ LYS 104 -1.649 -7.227 7.247 1182 HZ2 LYS 104 2HZ LYS 104 -2.338 -7.549 8.757 1183 HZ3 LYS 104 3HZ LYS 104 -3.262 -6.796 7.557 1184 H ARG 105 H ARG 105 -3.055 -13.719 6.423 1185 HA ARG 105 HA ARG 105 -5.976 -13.765 6.693 1186 HB2 ARG 105 2HB ARG 105 -4.098 -16.011 6.463 1187 HB3 ARG 105 1HB ARG 105 -5.285 -16.168 7.753 1188 HG2 ARG 105 2HG ARG 105 -5.847 -15.734 4.824 1189 HG3 ARG 105 1HG ARG 105 -6.133 -17.204 5.756 1190 HD2 ARG 105 2HD ARG 105 -8.242 -16.198 5.607 1191 HD3 ARG 105 1HD ARG 105 -7.668 -15.762 7.216 1192 HE ARG 105 HE ARG 105 -7.145 -13.826 5.107 1193 HH11 ARG 105 1HH1 ARG 105 -9.238 -14.801 7.745 1194 HH12 ARG 105 2HH1 ARG 105 -9.947 -13.226 7.949 1195 HH21 ARG 105 1HH2 ARG 105 -8.055 -11.752 5.367 1196 HH22 ARG 105 2HH2 ARG 105 -9.301 -11.490 6.562 1197 H LYS 106 H LYS 106 -6.745 -13.151 8.507 1198 HA LYS 106 HA LYS 106 -5.030 -13.128 10.900 1199 HB2 LYS 106 2HB LYS 106 -6.308 -11.146 11.623 1200 HB3 LYS 106 1HB LYS 106 -5.509 -10.858 10.083 1201 HG2 LYS 106 2HG LYS 106 -7.545 -11.078 8.884 1202 HG3 LYS 106 1HG LYS 106 -8.387 -11.705 10.301 1203 HD2 LYS 106 2HD LYS 106 -7.413 -9.274 11.165 1204 HD3 LYS 106 1HD LYS 106 -7.875 -8.953 9.492 1205 HE2 LYS 106 2HE LYS 106 -9.634 -10.167 11.622 1206 HE3 LYS 106 1HE LYS 106 -9.728 -8.513 11.022 1207 HZ1 LYS 106 1HZ LYS 106 -10.118 -10.915 9.320 1208 HZ2 LYS 106 2HZ LYS 106 -10.395 -9.299 8.883 1209 HZ3 LYS 106 3HZ LYS 106 -11.381 -10.058 10.041 1210 H ALA 107 H ALA 107 -6.860 -12.631 12.822 1211 HA ALA 107 HA ALA 107 -8.299 -15.104 12.992 1212 HB1 ALA 107 1HB ALA 107 -8.960 -14.351 15.205 1213 HB2 ALA 107 2HB ALA 107 -8.372 -12.726 14.852 1214 HB3 ALA 107 3HB ALA 107 -7.235 -14.069 14.965 1215 H ASN 108 H ASN 108 -9.846 -15.126 11.431 1216 HA ASN 108 HA ASN 108 -11.869 -14.825 10.468 1217 HB2 ASN 108 2HB ASN 108 -12.578 -14.718 12.940 1218 HB3 ASN 108 1HB ASN 108 -12.637 -12.972 12.721 1219 HD21 ASN 108 1HD2 ASN 108 -14.058 -12.149 11.058 1220 HD22 ASN 108 2HD2 ASN 108 -15.518 -13.011 10.698 Start of MODEL 15 1 H ARG 390 2HT ARG 390 32.838 13.607 6.469 2 HA ARG 390 HA ARG 390 33.988 15.341 5.215 3 HB2 ARG 390 2HB ARG 390 32.668 13.082 3.711 4 HB3 ARG 390 1HB ARG 390 33.883 14.115 2.971 5 HG2 ARG 390 2HG ARG 390 35.583 13.294 4.299 6 HG3 ARG 390 1HG ARG 390 34.475 12.747 5.558 7 HD2 ARG 390 2HD ARG 390 34.624 11.531 2.803 8 HD3 ARG 390 1HD ARG 390 35.515 10.918 4.196 9 HE ARG 390 HE ARG 390 32.765 11.134 4.840 10 HH11 ARG 390 1HH1 ARG 390 34.945 9.185 2.896 11 HH12 ARG 390 2HH1 ARG 390 33.967 7.762 3.002 12 HH21 ARG 390 1HH2 ARG 390 31.484 9.275 4.979 13 HH22 ARG 390 2HH2 ARG 390 31.982 7.812 4.193 14 H ARG 391 H ARG 391 30.892 14.513 3.636 15 HA ARG 391 HA ARG 391 30.896 17.149 2.345 16 HB2 ARG 391 2HB ARG 391 30.487 15.055 1.002 17 HB3 ARG 391 1HB ARG 391 29.007 14.817 1.919 18 HG2 ARG 391 2HG ARG 391 28.666 17.360 1.023 19 HG3 ARG 391 1HG ARG 391 29.580 16.639 -0.305 20 HD2 ARG 391 2HD ARG 391 27.097 16.446 -0.537 21 HD3 ARG 391 1HD ARG 391 27.954 14.904 -0.575 22 HE ARG 391 HE ARG 391 27.260 14.594 1.756 23 HH11 ARG 391 1HH1 ARG 391 25.473 16.901 -0.186 24 HH12 ARG 391 2HH1 ARG 391 24.084 16.876 0.853 25 HH21 ARG 391 1HH2 ARG 391 25.437 14.590 3.123 26 HH22 ARG 391 2HH2 ARG 391 24.062 15.589 2.721 27 H ARG 392 H ARG 392 30.599 17.658 4.818 28 HA ARG 392 HA ARG 392 29.330 18.716 6.366 29 HB2 ARG 392 2HB ARG 392 28.152 19.783 4.487 30 HB3 ARG 392 1HB ARG 392 27.063 18.406 4.384 31 HG2 ARG 392 2HG ARG 392 26.284 18.901 6.678 32 HG3 ARG 392 1HG ARG 392 27.307 20.338 6.681 33 HD2 ARG 392 2HD ARG 392 25.128 21.066 6.115 34 HD3 ARG 392 1HD ARG 392 26.068 21.092 4.625 35 HE ARG 392 HE ARG 392 24.876 18.638 4.615 36 HH11 ARG 392 1HH1 ARG 392 23.664 21.910 4.955 37 HH12 ARG 392 2HH1 ARG 392 22.150 21.562 4.188 38 HH21 ARG 392 1HH2 ARG 392 22.873 18.193 3.583 39 HH22 ARG 392 2HH2 ARG 392 21.685 19.467 3.434 40 H THR 393 H THR 393 27.033 16.409 4.926 41 HA THR 393 HA THR 393 26.937 14.996 7.500 42 HB THR 393 HB THR 393 24.372 14.752 6.502 43 HG1 THR 393 1HG THR 393 23.756 16.649 5.662 44 HG21 THR 393 1HG2 THR 393 24.982 15.068 8.847 45 HG22 THR 393 2HG2 THR 393 23.737 16.221 8.367 46 HG23 THR 393 3HG2 THR 393 25.415 16.746 8.520 47 H GLU 394 H GLU 394 27.076 12.837 7.316 48 HA GLU 394 HA GLU 394 26.772 11.668 4.633 49 HB2 GLU 394 2HB GLU 394 28.786 11.281 6.758 50 HB3 GLU 394 1HB GLU 394 28.222 9.808 5.983 51 HG2 GLU 394 2HG GLU 394 29.732 10.197 4.411 52 HG3 GLU 394 1HG GLU 394 28.698 11.517 3.867 53 H ALA 395 H ALA 395 24.925 10.633 4.467 54 HA ALA 395 HA ALA 395 24.221 8.457 6.149 55 HB1 ALA 395 1HB ALA 395 22.153 9.293 7.082 56 HB2 ALA 395 2HB ALA 395 22.384 10.853 6.295 57 HB3 ALA 395 3HB ALA 395 23.471 10.349 7.588 58 H LEU 396 H LEU 396 21.375 8.608 5.504 59 HA LEU 396 HA LEU 396 21.506 7.672 2.797 60 HB2 LEU 396 2HB LEU 396 19.165 8.148 4.649 61 HB3 LEU 396 1HB LEU 396 19.019 7.444 3.049 62 HG LEU 396 HG LEU 396 20.650 6.234 5.282 63 HD11 LEU 396 1HD1 LEU 396 17.891 5.499 4.313 64 HD12 LEU 396 2HD1 LEU 396 18.275 6.263 5.856 65 HD13 LEU 396 3HD1 LEU 396 18.838 4.625 5.518 66 HD21 LEU 396 1HD2 LEU 396 20.619 4.240 3.856 67 HD22 LEU 396 2HD2 LEU 396 21.409 5.602 3.061 68 HD23 LEU 396 3HD2 LEU 396 19.765 5.150 2.609 69 H GLY 397 H GLY 397 22.244 9.492 1.667 70 HA2 GLY 397 2HA GLY 397 21.704 11.171 0.129 71 HA3 GLY 397 1HA GLY 397 20.135 11.350 0.909 72 H ASP 398 H ASP 398 20.575 11.886 3.406 73 HA ASP 398 HA ASP 398 22.710 13.612 4.051 74 HB2 ASP 398 2HB ASP 398 21.091 14.951 2.393 75 HB3 ASP 398 1HB ASP 398 20.205 15.219 3.894 76 H ALA 399 H ALA 399 21.529 15.199 5.998 77 HA ALA 399 HA ALA 399 19.863 13.377 7.581 78 HB1 ALA 399 1HB ALA 399 21.303 13.607 9.542 79 HB2 ALA 399 2HB ALA 399 22.461 14.530 8.583 80 HB3 ALA 399 3HB ALA 399 22.152 12.835 8.203 81 H GLU 400 H GLU 400 19.451 15.966 6.242 82 HA GLU 400 HA GLU 400 19.217 17.920 8.345 83 HB2 GLU 400 2HB GLU 400 17.724 18.232 5.786 84 HB3 GLU 400 1HB GLU 400 18.611 19.430 6.718 85 HG2 GLU 400 2HG GLU 400 20.622 18.881 5.770 86 HG3 GLU 400 1HG GLU 400 20.109 17.240 5.377 87 H GLU 401 H GLU 401 16.535 17.544 6.182 88 HA GLU 401 HA GLU 401 14.760 17.231 8.447 89 HB2 GLU 401 2HB GLU 401 13.021 17.321 6.463 90 HB3 GLU 401 1HB GLU 401 13.814 18.778 7.042 91 HG2 GLU 401 2HG GLU 401 14.214 19.113 4.863 92 HG3 GLU 401 1HG GLU 401 15.561 18.011 5.141 93 H ASP 402 H ASP 402 15.666 15.089 8.885 94 HA ASP 402 HA ASP 402 15.356 12.868 7.195 95 HB2 ASP 402 2HB ASP 402 16.726 12.990 9.313 96 HB3 ASP 402 1HB ASP 402 15.220 12.811 10.209 97 H GLU 403 H GLU 403 13.842 11.134 7.319 98 HA GLU 403 HA GLU 403 11.131 12.041 7.340 99 HB2 GLU 403 2HB GLU 403 12.594 9.700 6.469 100 HB3 GLU 403 1HB GLU 403 11.104 9.248 7.285 101 HG2 GLU 403 2HG GLU 403 10.670 9.425 4.950 102 HG3 GLU 403 1HG GLU 403 9.868 10.761 5.770 103 H ASP 404 H ASP 404 9.793 12.151 9.000 104 HA ASP 404 HA ASP 404 10.419 11.477 11.619 105 HB2 ASP 404 2HB ASP 404 7.678 11.758 10.347 106 HB3 ASP 404 1HB ASP 404 8.002 11.794 12.075 107 H ASP 405 H ASP 405 10.603 9.527 12.540 108 HA ASP 405 HA ASP 405 9.362 7.234 11.203 109 HB2 ASP 405 2HB ASP 405 11.469 7.291 13.379 110 HB3 ASP 405 1HB ASP 405 10.860 5.844 12.588 111 H GLU 406 H GLU 406 8.697 9.325 13.675 112 HA GLU 406 HA GLU 406 7.145 7.269 15.087 113 HB2 GLU 406 2HB GLU 406 7.142 9.102 16.964 114 HB3 GLU 406 1HB GLU 406 8.500 8.006 16.793 115 HG2 GLU 406 2HG GLU 406 9.037 10.428 17.207 116 HG3 GLU 406 1HG GLU 406 9.860 9.663 15.855 117 H ASP 407 H ASP 407 5.344 8.502 16.414 118 HA ASP 407 HA ASP 407 3.334 9.407 16.325 119 HB2 ASP 407 2HB ASP 407 4.656 11.479 16.392 120 HB3 ASP 407 1HB ASP 407 4.572 11.540 14.636 121 H PHE 408 H PHE 408 3.130 7.371 14.946 122 HA PHE 408 HA PHE 408 1.707 8.157 12.493 123 HB2 PHE 408 2HB PHE 408 3.312 5.636 13.025 124 HB3 PHE 408 1HB PHE 408 2.129 5.752 11.744 125 HD1 PHE 408 1HD PHE 408 5.175 7.489 12.998 126 HD2 PHE 408 2HD PHE 408 2.815 6.345 9.658 127 HE1 PHE 408 1HE PHE 408 6.879 8.395 11.484 128 HE2 PHE 408 2HE PHE 408 4.513 7.253 8.138 129 HZ PHE 408 HZ PHE 408 6.539 8.289 9.057 130 H VAL 409 H VAL 409 -0.329 7.734 12.551 131 HA VAL 409 HA VAL 409 -1.389 6.397 14.874 132 HB VAL 409 HB VAL 409 -3.587 7.232 13.847 133 HG11 VAL 409 1HG1 VAL 409 -2.411 8.281 15.640 134 HG12 VAL 409 2HG1 VAL 409 -2.977 9.520 14.516 135 HG13 VAL 409 3HG1 VAL 409 -1.286 9.012 14.498 136 HG21 VAL 409 1HG2 VAL 409 -1.712 8.852 12.180 137 HG22 VAL 409 2HG2 VAL 409 -3.473 8.939 12.222 138 HG23 VAL 409 3HG2 VAL 409 -2.676 7.517 11.554 139 H GLU 410 H GLU 410 -1.869 4.386 14.904 140 HA GLU 410 HA GLU 410 -1.264 2.699 12.818 141 HB2 GLU 410 2HB GLU 410 -1.520 2.138 15.297 142 HB3 GLU 410 1HB GLU 410 -3.235 1.933 14.955 143 HG2 GLU 410 2HG GLU 410 -2.813 -0.140 14.304 144 HG3 GLU 410 1HG GLU 410 -1.873 0.516 12.963 145 H VAL 411 H VAL 411 -2.243 2.098 11.101 146 HA VAL 411 HA VAL 411 -5.019 2.860 10.637 147 HB VAL 411 HB VAL 411 -3.086 1.842 8.537 148 HG11 VAL 411 1HG1 VAL 411 -5.548 3.591 8.456 149 HG12 VAL 411 2HG1 VAL 411 -5.466 1.898 7.966 150 HG13 VAL 411 3HG1 VAL 411 -4.572 3.122 7.064 151 HG21 VAL 411 1HG2 VAL 411 -2.589 4.126 8.012 152 HG22 VAL 411 2HG2 VAL 411 -2.032 3.678 9.626 153 HG23 VAL 411 3HG2 VAL 411 -3.489 4.656 9.433 154 HA PRO 412 HA PRO 412 -5.808 -1.502 11.480 155 HB2 PRO 412 2HB PRO 412 -8.492 -1.249 11.531 156 HB3 PRO 412 1HB PRO 412 -7.475 -0.690 12.867 157 HG2 PRO 412 2HG PRO 412 -8.629 0.893 10.586 158 HG3 PRO 412 1HG PRO 412 -8.658 1.267 12.322 159 HD2 PRO 412 2HD PRO 412 -6.865 2.386 10.675 160 HD3 PRO 412 1HD PRO 412 -6.441 1.937 12.341 161 H GLU 413 H GLU 413 -7.304 -3.135 10.458 162 HA GLU 413 HA GLU 413 -7.261 -2.798 7.558 163 HB2 GLU 413 2HB GLU 413 -8.066 -5.320 8.981 164 HB3 GLU 413 1HB GLU 413 -7.336 -5.136 7.393 165 HG2 GLU 413 2HG GLU 413 -5.348 -4.153 8.853 166 HG3 GLU 413 1HG GLU 413 -6.076 -5.201 10.068 167 H LYS 414 H LYS 414 -9.168 -3.294 6.283 168 HA LYS 414 HA LYS 414 -11.643 -2.950 7.823 169 HB2 LYS 414 2HB LYS 414 -10.692 -1.566 5.390 170 HB3 LYS 414 1HB LYS 414 -12.416 -1.901 5.521 171 HG2 LYS 414 2HG LYS 414 -12.713 -0.287 7.020 172 HG3 LYS 414 1HG LYS 414 -11.323 -0.809 7.974 173 HD2 LYS 414 2HD LYS 414 -10.677 1.304 7.298 174 HD3 LYS 414 1HD LYS 414 -9.940 0.281 6.065 175 HE2 LYS 414 2HE LYS 414 -11.462 0.894 4.452 176 HE3 LYS 414 1HE LYS 414 -12.681 1.376 5.631 177 HZ1 LYS 414 1HZ LYS 414 -11.334 3.170 4.318 178 HZ2 LYS 414 2HZ LYS 414 -10.152 2.874 5.496 179 HZ3 LYS 414 3HZ LYS 414 -11.690 3.403 5.956 180 H GLU 415 H GLU 415 -10.293 -4.262 4.827 181 HA GLU 415 HA GLU 415 -10.820 -6.064 3.566 182 HB2 GLU 415 2HB GLU 415 -10.713 -7.303 5.675 183 HB3 GLU 415 1HB GLU 415 -12.404 -6.936 5.987 184 HG2 GLU 415 2HG GLU 415 -12.160 -9.197 5.174 185 HG3 GLU 415 1HG GLU 415 -13.046 -8.218 4.008 186 H GLY 416 H GLY 416 -13.876 -5.683 5.344 187 HA2 GLY 416 2HA GLY 416 -15.336 -5.809 2.824 188 HA3 GLY 416 1HA GLY 416 -16.035 -5.844 4.437 189 H TYR 417 H TYR 417 -14.189 -3.668 2.344 190 HA TYR 417 HA TYR 417 -16.063 -1.519 3.017 191 HB2 TYR 417 2HB TYR 417 -14.262 -1.128 4.515 192 HB3 TYR 417 1HB TYR 417 -13.062 -1.474 3.281 193 HD1 TYR 417 1HD TYR 417 -15.497 1.027 4.477 194 HD2 TYR 417 2HD TYR 417 -12.276 0.217 1.825 195 HE1 TYR 417 1HE TYR 417 -15.222 3.435 4.078 196 HE2 TYR 417 2HE TYR 417 -11.996 2.612 1.409 197 HH TYR 417 HH TYR 417 -12.499 4.755 2.620 198 H GLU 418 H GLU 418 -13.055 -1.887 1.152 199 HA GLU 418 HA GLU 418 -12.470 -1.387 -0.973 200 HB2 GLU 418 2HB GLU 418 -15.306 -2.068 -1.736 201 HB3 GLU 418 1HB GLU 418 -13.857 -2.222 -2.719 202 HG2 GLU 418 2HG GLU 418 -14.469 -3.835 -0.248 203 HG3 GLU 418 1HG GLU 418 -14.683 -4.384 -1.908 204 HA PRO 419 HA PRO 419 -13.967 2.893 -0.954 205 HB2 PRO 419 2HB PRO 419 -11.722 3.958 -2.040 206 HB3 PRO 419 1HB PRO 419 -11.855 3.542 -0.327 207 HG2 PRO 419 2HG PRO 419 -10.564 2.018 -2.553 208 HG3 PRO 419 1HG PRO 419 -9.993 2.277 -0.895 209 HD2 PRO 419 2HD PRO 419 -11.197 -0.022 -1.710 210 HD3 PRO 419 1HD PRO 419 -11.304 0.591 -0.049 211 H HIS 420 H HIS 420 -15.540 2.294 -2.572 212 HA HIS 420 HA HIS 420 -15.071 3.588 -5.085 213 HB2 HIS 420 2HB HIS 420 -14.580 0.776 -4.952 214 HB3 HIS 420 1HB HIS 420 -16.055 1.038 -5.874 215 HD1 HIS 420 1HD HIS 420 -12.579 2.651 -5.861 216 HD2 HIS 420 2HD HIS 420 -15.515 1.284 -8.467 217 HE1 HIS 420 1HE HIS 420 -11.689 3.029 -8.202 218 H ILE 421 H ILE 421 -16.996 2.941 -6.577 219 HA ILE 421 HA ILE 421 -19.425 2.580 -5.079 220 HB ILE 421 HB ILE 421 -19.865 4.759 -4.986 221 HG12 ILE 421 2HG1 ILE 421 -20.725 5.790 -7.157 222 HG13 ILE 421 1HG1 ILE 421 -20.321 4.248 -7.907 223 HG21 ILE 421 1HG2 ILE 421 -18.714 6.514 -6.251 224 HG22 ILE 421 2HG2 ILE 421 -17.876 5.273 -7.182 225 HG23 ILE 421 3HG2 ILE 421 -17.595 5.413 -5.446 226 HD11 ILE 421 1HD1 ILE 421 -22.667 4.340 -7.289 227 HD12 ILE 421 2HD1 ILE 421 -22.222 4.640 -5.609 228 HD13 ILE 421 3HD1 ILE 421 -21.816 3.101 -6.368 229 HA PRO 422 HA PRO 422 -20.182 1.402 -9.573 230 HB2 PRO 422 2HB PRO 422 -18.383 2.190 -11.503 231 HB3 PRO 422 1HB PRO 422 -19.801 3.127 -11.032 232 HG2 PRO 422 2HG PRO 422 -17.022 3.752 -10.608 233 HG3 PRO 422 1HG PRO 422 -18.441 4.731 -10.213 234 HD2 PRO 422 2HD PRO 422 -16.807 3.025 -8.458 235 HD3 PRO 422 1HD PRO 422 -17.930 4.331 -8.033 236 H ASP 423 H ASP 423 -19.015 -0.275 -8.008 237 HA ASP 423 HA ASP 423 -16.494 -1.285 -8.815 238 HB2 ASP 423 2HB ASP 423 -17.563 -1.645 -6.564 239 HB3 ASP 423 1HB ASP 423 -18.636 -2.811 -7.335 240 H HIS 424 H HIS 424 -16.071 -2.200 -10.644 241 HA HIS 424 HA HIS 424 -17.691 -4.377 -11.636 242 HB2 HIS 424 2HB HIS 424 -18.005 -3.461 -13.864 243 HB3 HIS 424 1HB HIS 424 -18.704 -2.357 -12.690 244 HD1 HIS 424 1HD HIS 424 -16.893 -0.272 -12.045 245 HD2 HIS 424 2HD HIS 424 -16.518 -2.222 -15.693 246 HE1 HIS 424 1HE HIS 424 -15.522 1.249 -13.530 247 H LEU 425 H LEU 425 -14.941 -3.589 -10.590 248 HA LEU 425 HA LEU 425 -13.387 -4.854 -12.748 249 HB2 LEU 425 2HB LEU 425 -12.476 -2.658 -10.885 250 HB3 LEU 425 1HB LEU 425 -11.441 -3.509 -12.014 251 HG LEU 425 HG LEU 425 -13.812 -1.822 -12.819 252 HD11 LEU 425 1HD1 LEU 425 -10.870 -1.172 -12.905 253 HD12 LEU 425 2HD1 LEU 425 -12.048 -0.469 -11.798 254 HD13 LEU 425 3HD1 LEU 425 -12.178 -0.168 -13.531 255 HD21 LEU 425 1HD2 LEU 425 -12.847 -1.999 -15.062 256 HD22 LEU 425 2HD2 LEU 425 -13.281 -3.582 -14.417 257 HD23 LEU 425 3HD2 LEU 425 -11.592 -3.071 -14.438 258 H ARG 426 H ARG 426 -14.735 -6.040 -10.477 259 HA ARG 426 HA ARG 426 -12.946 -6.645 -8.382 260 HB2 ARG 426 2HB ARG 426 -15.297 -8.223 -9.443 261 HB3 ARG 426 1HB ARG 426 -14.483 -8.532 -7.916 262 HG2 ARG 426 2HG ARG 426 -15.254 -5.781 -8.061 263 HG3 ARG 426 1HG ARG 426 -16.641 -6.816 -8.402 264 HD2 ARG 426 2HD ARG 426 -16.372 -6.272 -5.998 265 HD3 ARG 426 1HD ARG 426 -16.339 -8.001 -6.341 266 HE ARG 426 HE ARG 426 -13.989 -8.010 -5.936 267 HH11 ARG 426 1HH1 ARG 426 -15.486 -4.886 -5.328 268 HH12 ARG 426 2HH1 ARG 426 -14.264 -4.400 -4.186 269 HH21 ARG 426 1HH2 ARG 426 -12.392 -7.364 -4.446 270 HH22 ARG 426 2HH2 ARG 426 -12.510 -5.797 -3.671 271 HA PRO 427 HA PRO 427 -10.458 -9.480 -10.770 272 HB2 PRO 427 2HB PRO 427 -8.378 -9.633 -9.100 273 HB3 PRO 427 1HB PRO 427 -8.702 -8.163 -10.027 274 HG2 PRO 427 2HG PRO 427 -9.265 -8.756 -7.156 275 HG3 PRO 427 1HG PRO 427 -8.715 -7.247 -7.903 276 HD2 PRO 427 2HD PRO 427 -11.344 -7.836 -7.183 277 HD3 PRO 427 1HD PRO 427 -10.847 -6.562 -8.315 278 H GLU 428 H GLU 428 -12.346 -10.141 -8.309 279 HA GLU 428 HA GLU 428 -11.204 -12.718 -7.567 280 HB2 GLU 428 2HB GLU 428 -13.760 -11.379 -6.655 281 HB3 GLU 428 1HB GLU 428 -13.127 -12.892 -6.021 282 HG2 GLU 428 2HG GLU 428 -12.318 -11.512 -4.432 283 HG3 GLU 428 1HG GLU 428 -10.998 -11.353 -5.589 284 H TYR 429 H TYR 429 -11.420 -13.245 -9.936 285 HA TYR 429 HA TYR 429 -14.080 -13.886 -10.868 286 HB2 TYR 429 2HB TYR 429 -11.385 -14.486 -12.108 287 HB3 TYR 429 1HB TYR 429 -12.946 -14.686 -12.895 288 HD1 TYR 429 1HD TYR 429 -10.203 -12.530 -12.469 289 HD2 TYR 429 2HD TYR 429 -14.428 -12.502 -12.978 290 HE1 TYR 429 1HE TYR 429 -10.087 -10.208 -13.270 291 HE2 TYR 429 2HE TYR 429 -14.321 -10.182 -13.781 292 HH TYR 429 HH TYR 429 -12.723 -8.211 -13.484 293 H GLY 430 H GLY 430 -14.781 -15.991 -11.440 294 HA2 GLY 430 2HA GLY 430 -14.125 -18.419 -11.429 295 HA3 GLY 430 1HA GLY 430 -13.483 -18.107 -9.822 296 H LEU 431 H LEU 431 -16.153 -16.230 -10.175 297 HA LEU 431 HA LEU 431 -17.820 -18.194 -8.751 298 HB2 LEU 431 2HB LEU 431 -18.040 -15.182 -8.835 299 HB3 LEU 431 1HB LEU 431 -19.049 -16.255 -7.885 300 HG LEU 431 HG LEU 431 -16.065 -15.993 -7.507 301 HD11 LEU 431 1HD1 LEU 431 -16.598 -14.651 -5.538 302 HD12 LEU 431 2HD1 LEU 431 -18.308 -14.700 -5.963 303 HD13 LEU 431 3HD1 LEU 431 -17.162 -13.872 -7.017 304 HD21 LEU 431 1HD2 LEU 431 -16.500 -17.122 -5.388 305 HD22 LEU 431 2HD2 LEU 431 -17.025 -18.112 -6.750 306 HD23 LEU 431 3HD2 LEU 431 -18.213 -17.234 -5.789 307 H GLU 432 H GLU 432 -17.446 -16.562 -11.668 308 HA GLU 432 HA GLU 432 -20.178 -16.320 -12.446 309 HB2 GLU 432 2HB GLU 432 -17.810 -16.550 -14.302 310 HB3 GLU 432 1HB GLU 432 -19.343 -15.746 -14.606 311 HG2 GLU 432 2HG GLU 432 -18.084 -13.921 -14.171 312 HG3 GLU 432 1HG GLU 432 -18.563 -14.304 -12.518 313 H ALA 433 H ALA 433 -18.110 -18.945 -12.118 314 HA ALA 433 HA ALA 433 -18.249 -21.155 -12.587 315 HB1 ALA 433 1HB ALA 433 -20.557 -20.879 -11.743 316 HB2 ALA 433 2HB ALA 433 -20.411 -22.152 -12.955 317 HB3 ALA 433 3HB ALA 433 -21.098 -20.589 -13.396 318 H ALA 434 H ALA 434 -16.944 -19.831 -14.445 319 HA ALA 434 HA ALA 434 -17.569 -21.281 -16.877 320 HB1 ALA 434 1HB ALA 434 -17.203 -18.281 -16.862 321 HB2 ALA 434 2HB ALA 434 -18.708 -19.136 -17.203 322 HB3 ALA 434 3HB ALA 434 -17.335 -19.298 -18.297 323 H MET 1 2HT MET 1 7.170 -6.896 -6.975 324 HA MET 1 HA MET 1 9.445 -7.698 -6.092 325 HB2 MET 1 2HB MET 1 8.129 -7.831 -8.569 326 HB3 MET 1 1HB MET 1 9.802 -7.464 -8.961 327 HG2 MET 1 2HG MET 1 8.886 -9.761 -7.246 328 HG3 MET 1 1HG MET 1 9.324 -9.872 -8.949 329 HE1 MET 1 1HE MET 1 11.037 -11.807 -8.386 330 HE2 MET 1 2HE MET 1 10.633 -11.706 -6.672 331 HE3 MET 1 3HE MET 1 12.320 -11.668 -7.184 332 H ALA 2 H ALA 2 11.731 -7.525 -7.456 333 HA ALA 2 HA ALA 2 12.862 -5.033 -6.686 334 HB1 ALA 2 1HB ALA 2 14.180 -7.116 -6.833 335 HB2 ALA 2 2HB ALA 2 14.894 -5.819 -7.788 336 HB3 ALA 2 3HB ALA 2 13.986 -7.102 -8.585 337 H THR 3 H THR 3 12.035 -6.472 -9.779 338 HA THR 3 HA THR 3 11.959 -3.805 -11.012 339 HB THR 3 HB THR 3 11.908 -6.277 -12.688 340 HG1 THR 3 1HG THR 3 14.079 -6.624 -12.483 341 HG21 THR 3 1HG2 THR 3 11.752 -4.027 -13.682 342 HG22 THR 3 2HG2 THR 3 13.197 -4.884 -14.218 343 HG23 THR 3 3HG2 THR 3 13.325 -3.624 -12.990 344 H SER 4 H SER 4 9.947 -3.993 -9.598 345 HA SER 4 HA SER 4 7.816 -5.614 -9.901 346 HB2 SER 4 2HB SER 4 7.736 -2.621 -9.538 347 HB3 SER 4 1HB SER 4 6.406 -3.727 -9.198 348 HG SER 4 HG SER 4 8.236 -3.019 -7.536 349 H SER 5 H SER 5 6.342 -6.087 -11.251 350 HA SER 5 HA SER 5 5.612 -4.319 -13.456 351 HB2 SER 5 2HB SER 5 6.310 -7.239 -13.894 352 HB3 SER 5 1HB SER 5 5.833 -6.068 -15.123 353 HG SER 5 HG SER 5 8.013 -5.320 -13.615 354 H GLU 6 H GLU 6 4.659 -5.616 -10.825 355 HA GLU 6 HA GLU 6 2.483 -7.313 -11.566 356 HB2 GLU 6 2HB GLU 6 3.096 -5.897 -8.955 357 HB3 GLU 6 1HB GLU 6 1.895 -7.161 -9.171 358 HG2 GLU 6 2HG GLU 6 3.557 -8.465 -8.387 359 HG3 GLU 6 1HG GLU 6 4.046 -8.469 -10.078 360 H GLU 7 H GLU 7 0.237 -6.770 -11.268 361 HA GLU 7 HA GLU 7 -0.592 -4.480 -12.556 362 HB2 GLU 7 2HB GLU 7 -2.138 -6.038 -10.475 363 HB3 GLU 7 1HB GLU 7 -2.834 -4.944 -11.663 364 HG2 GLU 7 2HG GLU 7 -3.180 -6.869 -12.776 365 HG3 GLU 7 1HG GLU 7 -1.528 -6.581 -13.316 366 H VAL 8 H VAL 8 -0.198 -2.458 -12.006 367 HA VAL 8 HA VAL 8 0.066 -1.651 -9.251 368 HB VAL 8 HB VAL 8 0.030 0.151 -11.676 369 HG11 VAL 8 1HG1 VAL 8 1.243 0.476 -8.934 370 HG12 VAL 8 2HG1 VAL 8 -0.203 1.286 -9.538 371 HG13 VAL 8 3HG1 VAL 8 1.369 1.633 -10.259 372 HG21 VAL 8 1HG2 VAL 8 2.460 -0.037 -11.733 373 HG22 VAL 8 2HG2 VAL 8 1.705 -1.610 -11.996 374 HG23 VAL 8 3HG2 VAL 8 2.411 -1.222 -10.427 375 H LEU 9 H LEU 9 -1.811 -1.654 -8.193 376 HA LEU 9 HA LEU 9 -4.281 -0.809 -9.401 377 HB2 LEU 9 2HB LEU 9 -3.712 -1.408 -6.499 378 HB3 LEU 9 1HB LEU 9 -5.286 -1.345 -7.271 379 HG LEU 9 HG LEU 9 -3.140 -3.394 -7.845 380 HD11 LEU 9 1HD1 LEU 9 -4.627 -4.958 -6.712 381 HD12 LEU 9 2HD1 LEU 9 -5.739 -3.642 -6.337 382 HD13 LEU 9 3HD1 LEU 9 -4.124 -3.661 -5.628 383 HD21 LEU 9 1HD2 LEU 9 -4.876 -4.528 -9.140 384 HD22 LEU 9 2HD2 LEU 9 -4.533 -2.927 -9.797 385 HD23 LEU 9 3HD2 LEU 9 -5.985 -3.192 -8.832 386 H LEU 10 H LEU 10 -1.846 0.579 -7.290 387 HA LEU 10 HA LEU 10 -3.330 3.128 -7.440 388 HB2 LEU 10 2HB LEU 10 -3.573 1.907 -5.213 389 HB3 LEU 10 1HB LEU 10 -1.880 2.285 -4.947 390 HG LEU 10 HG LEU 10 -2.528 4.729 -5.323 391 HD11 LEU 10 1HD1 LEU 10 -4.843 5.317 -4.848 392 HD12 LEU 10 2HD1 LEU 10 -5.278 3.607 -4.818 393 HD13 LEU 10 3HD1 LEU 10 -4.720 4.350 -6.318 394 HD21 LEU 10 1HD2 LEU 10 -1.965 3.766 -3.140 395 HD22 LEU 10 2HD2 LEU 10 -3.650 3.293 -2.924 396 HD23 LEU 10 3HD2 LEU 10 -3.219 5.000 -3.012 397 H ILE 11 H ILE 11 -2.132 4.841 -7.977 398 HA ILE 11 HA ILE 11 0.793 4.512 -7.964 399 HB ILE 11 HB ILE 11 -0.895 6.086 -9.918 400 HG12 ILE 11 2HG1 ILE 11 0.789 3.592 -10.252 401 HG13 ILE 11 1HG1 ILE 11 -0.967 3.677 -10.320 402 HG21 ILE 11 1HG2 ILE 11 1.137 6.693 -11.034 403 HG22 ILE 11 2HG2 ILE 11 2.097 5.708 -9.931 404 HG23 ILE 11 3HG2 ILE 11 1.283 7.157 -9.339 405 HD11 ILE 11 1HD1 ILE 11 -0.018 3.503 -12.538 406 HD12 ILE 11 2HD1 ILE 11 0.948 4.953 -12.259 407 HD13 ILE 11 3HD1 ILE 11 -0.811 5.064 -12.326 408 H VAL 12 H VAL 12 1.724 5.721 -6.512 409 HA VAL 12 HA VAL 12 0.570 8.343 -5.798 410 HB VAL 12 HB VAL 12 2.453 6.659 -4.134 411 HG11 VAL 12 1HG1 VAL 12 2.504 9.009 -3.580 412 HG12 VAL 12 2HG1 VAL 12 1.693 8.111 -2.298 413 HG13 VAL 12 3HG1 VAL 12 0.747 9.047 -3.455 414 HG21 VAL 12 1HG2 VAL 12 0.529 5.997 -2.802 415 HG22 VAL 12 2HG2 VAL 12 0.348 5.463 -4.473 416 HG23 VAL 12 3HG2 VAL 12 -0.544 6.872 -3.896 417 H LYS 13 H LYS 13 1.943 10.142 -5.868 418 HA LYS 13 HA LYS 13 4.604 9.570 -7.016 419 HB2 LYS 13 2HB LYS 13 2.548 11.590 -7.741 420 HB3 LYS 13 1HB LYS 13 4.241 12.035 -7.918 421 HG2 LYS 13 2HG LYS 13 2.799 9.752 -9.247 422 HG3 LYS 13 1HG LYS 13 3.487 11.188 -10.011 423 HD2 LYS 13 2HD LYS 13 5.730 10.460 -9.251 424 HD3 LYS 13 1HD LYS 13 5.003 8.984 -8.619 425 HE2 LYS 13 2HE LYS 13 4.270 8.377 -10.865 426 HE3 LYS 13 1HE LYS 13 4.965 9.867 -11.503 427 HZ1 LYS 13 1HZ LYS 13 6.344 7.473 -10.474 428 HZ2 LYS 13 2HZ LYS 13 7.127 8.980 -10.431 429 HZ3 LYS 13 3HZ LYS 13 6.616 8.331 -11.908 430 H LYS 14 H LYS 14 6.189 11.306 -6.751 431 HA LYS 14 HA LYS 14 7.650 12.310 -5.352 432 HB2 LYS 14 2HB LYS 14 5.103 13.786 -5.248 433 HB3 LYS 14 1HB LYS 14 6.316 14.248 -4.058 434 HG2 LYS 14 2HG LYS 14 7.786 15.006 -5.673 435 HG3 LYS 14 1HG LYS 14 7.062 14.016 -6.942 436 HD2 LYS 14 2HD LYS 14 6.398 16.211 -7.442 437 HD3 LYS 14 1HD LYS 14 4.990 15.480 -6.670 438 HE2 LYS 14 2HE LYS 14 5.765 16.504 -4.512 439 HE3 LYS 14 1HE LYS 14 6.983 17.378 -5.440 440 HZ1 LYS 14 1HZ LYS 14 5.113 18.306 -6.775 441 HZ2 LYS 14 2HZ LYS 14 5.122 18.806 -5.156 442 HZ3 LYS 14 3HZ LYS 14 4.032 17.610 -5.671 443 H VAL 15 H VAL 15 7.503 10.120 -4.196 444 HA VAL 15 HA VAL 15 6.753 10.578 -1.377 445 HB VAL 15 HB VAL 15 6.898 7.949 -2.877 446 HG11 VAL 15 1HG1 VAL 15 7.639 7.708 -0.557 447 HG12 VAL 15 2HG1 VAL 15 6.082 6.922 -0.817 448 HG13 VAL 15 3HG1 VAL 15 6.155 8.484 -0.001 449 HG21 VAL 15 1HG2 VAL 15 4.924 9.265 -3.431 450 HG22 VAL 15 2HG2 VAL 15 4.545 9.432 -1.718 451 HG23 VAL 15 3HG2 VAL 15 4.489 7.844 -2.482 452 H ARG 16 H ARG 16 8.359 10.393 0.104 453 HA ARG 16 HA ARG 16 10.977 9.550 -0.937 454 HB2 ARG 16 2HB ARG 16 10.214 11.755 0.937 455 HB3 ARG 16 1HB ARG 16 11.824 11.051 1.012 456 HG2 ARG 16 2HG ARG 16 11.976 11.531 -1.480 457 HG3 ARG 16 1HG ARG 16 10.540 12.532 -1.255 458 HD2 ARG 16 2HD ARG 16 13.079 12.858 0.328 459 HD3 ARG 16 1HD ARG 16 12.716 13.764 -1.140 460 HE ARG 16 HE ARG 16 10.577 14.329 0.304 461 HH11 ARG 16 1HH1 ARG 16 13.922 14.200 1.301 462 HH12 ARG 16 2HH1 ARG 16 13.761 15.459 2.494 463 HH21 ARG 16 1HH2 ARG 16 10.361 15.993 1.876 464 HH22 ARG 16 2HH2 ARG 16 11.746 16.467 2.823 465 H GLN 17 H GLN 17 12.052 8.016 0.038 466 HA GLN 17 HA GLN 17 11.052 7.004 2.617 467 HB2 GLN 17 2HB GLN 17 11.164 5.569 0.374 468 HB3 GLN 17 1HB GLN 17 12.850 5.401 0.834 469 HG2 GLN 17 2HG GLN 17 10.526 4.660 2.595 470 HG3 GLN 17 1HG GLN 17 11.402 3.531 1.565 471 HE21 GLN 17 1HE2 GLN 17 13.576 3.055 2.065 472 HE22 GLN 17 2HE2 GLN 17 14.195 3.287 3.658 473 H LYS 18 H LYS 18 12.285 7.993 4.107 474 HA LYS 18 HA LYS 18 14.040 8.890 5.207 475 HB2 LYS 18 2HB LYS 18 14.896 6.265 4.191 476 HB3 LYS 18 1HB LYS 18 16.168 7.293 4.848 477 HG2 LYS 18 2HG LYS 18 13.781 6.112 6.217 478 HG3 LYS 18 1HG LYS 18 15.484 6.004 6.662 479 HD2 LYS 18 2HD LYS 18 15.232 8.622 6.900 480 HD3 LYS 18 1HD LYS 18 13.530 8.209 7.116 481 HE2 LYS 18 2HE LYS 18 14.384 6.503 8.838 482 HE3 LYS 18 1HE LYS 18 15.891 7.413 8.782 483 HZ1 LYS 18 1HZ LYS 18 14.071 7.990 10.522 484 HZ2 LYS 18 2HZ LYS 18 13.370 8.847 9.242 485 HZ3 LYS 18 3HZ LYS 18 14.941 9.233 9.756 486 H LYS 19 H LYS 19 13.800 10.561 3.447 487 HA LYS 19 HA LYS 19 14.690 12.178 2.193 488 HB2 LYS 19 2HB LYS 19 16.964 11.015 3.607 489 HB3 LYS 19 1HB LYS 19 17.376 12.055 2.245 490 HG2 LYS 19 2HG LYS 19 15.867 13.787 3.291 491 HG3 LYS 19 1HG LYS 19 15.802 12.745 4.714 492 HD2 LYS 19 2HD LYS 19 18.002 13.118 5.257 493 HD3 LYS 19 1HD LYS 19 18.465 13.461 3.588 494 HE2 LYS 19 2HE LYS 19 16.830 15.266 5.367 495 HE3 LYS 19 1HE LYS 19 18.545 15.462 5.003 496 HZ1 LYS 19 1HZ LYS 19 17.761 16.792 3.385 497 HZ2 LYS 19 2HZ LYS 19 16.221 16.068 3.371 498 HZ3 LYS 19 3HZ LYS 19 17.510 15.338 2.549 499 H GLN 20 H GLN 20 14.521 9.236 1.092 500 HA GLN 20 HA GLN 20 16.162 9.701 -1.300 501 HB2 GLN 20 2HB GLN 20 14.908 7.223 -0.135 502 HB3 GLN 20 1HB GLN 20 15.459 7.272 -1.805 503 HG2 GLN 20 2HG GLN 20 17.642 7.253 -1.237 504 HG3 GLN 20 1HG GLN 20 17.381 8.186 0.236 505 HE21 GLN 20 1HE2 GLN 20 16.866 7.133 2.132 506 HE22 GLN 20 2HE2 GLN 20 17.032 5.421 2.313 507 H ASP 21 H ASP 21 15.242 10.277 -3.155 508 HA ASP 21 HA ASP 21 12.471 10.925 -3.274 509 HB2 ASP 21 2HB ASP 21 12.939 11.890 -5.353 510 HB3 ASP 21 1HB ASP 21 14.472 12.031 -4.502 511 H GLY 22 H GLY 22 10.787 9.934 -4.408 512 HA2 GLY 22 2HA GLY 22 11.122 7.891 -6.297 513 HA3 GLY 22 1HA GLY 22 10.898 7.155 -4.720 514 H ALA 23 H ALA 23 9.077 6.273 -5.992 515 HA ALA 23 HA ALA 23 6.676 7.850 -5.425 516 HB1 ALA 23 1HB ALA 23 7.177 6.413 -8.032 517 HB2 ALA 23 2HB ALA 23 7.126 8.162 -7.811 518 HB3 ALA 23 3HB ALA 23 5.671 7.198 -7.558 519 H LEU 24 H LEU 24 4.890 6.578 -4.878 520 HA LEU 24 HA LEU 24 5.613 3.817 -4.177 521 HB2 LEU 24 2HB LEU 24 4.924 5.447 -2.382 522 HB3 LEU 24 1HB LEU 24 3.323 5.443 -3.097 523 HG LEU 24 HG LEU 24 3.398 2.894 -2.766 524 HD11 LEU 24 1HD1 LEU 24 5.577 3.727 -0.867 525 HD12 LEU 24 2HD1 LEU 24 5.762 2.699 -2.286 526 HD13 LEU 24 3HD1 LEU 24 4.803 2.144 -0.914 527 HD21 LEU 24 1HD2 LEU 24 2.514 3.101 -0.530 528 HD22 LEU 24 2HD2 LEU 24 1.986 4.482 -1.494 529 HD23 LEU 24 3HD2 LEU 24 3.298 4.668 -0.331 530 H TYR 25 H TYR 25 4.615 2.157 -5.086 531 HA TYR 25 HA TYR 25 2.148 2.689 -6.606 532 HB2 TYR 25 2HB TYR 25 4.347 0.786 -7.440 533 HB3 TYR 25 1HB TYR 25 2.884 1.157 -8.339 534 HD1 TYR 25 1HD TYR 25 2.631 3.372 -9.425 535 HD2 TYR 25 2HD TYR 25 6.259 2.215 -7.529 536 HE1 TYR 25 1HE TYR 25 3.819 5.166 -10.617 537 HE2 TYR 25 2HE TYR 25 7.455 4.006 -8.712 538 HH TYR 25 HH TYR 25 7.265 5.385 -10.636 539 H LEU 26 H LEU 26 0.530 1.635 -5.659 540 HA LEU 26 HA LEU 26 1.011 -0.711 -4.047 541 HB2 LEU 26 2HB LEU 26 -1.563 0.639 -4.868 542 HB3 LEU 26 1HB LEU 26 -1.479 -0.758 -3.813 543 HG LEU 26 HG LEU 26 -0.772 2.075 -3.261 544 HD11 LEU 26 1HD1 LEU 26 -2.920 1.154 -2.548 545 HD12 LEU 26 2HD1 LEU 26 -1.917 1.596 -1.166 546 HD13 LEU 26 3HD1 LEU 26 -2.079 -0.097 -1.634 547 HD21 LEU 26 1HD2 LEU 26 1.308 0.922 -2.809 548 HD22 LEU 26 2HD2 LEU 26 0.452 -0.264 -1.823 549 HD23 LEU 26 3HD2 LEU 26 0.532 1.420 -1.307 550 H MET 27 H MET 27 0.926 -2.756 -4.775 551 HA MET 27 HA MET 27 -0.004 -3.135 -7.547 552 HB2 MET 27 2HB MET 27 1.745 -5.136 -6.237 553 HB3 MET 27 1HB MET 27 1.666 -4.585 -7.908 554 HG2 MET 27 2HG MET 27 2.610 -2.374 -7.002 555 HG3 MET 27 1HG MET 27 3.063 -3.328 -5.592 556 HE1 MET 27 1HE MET 27 4.984 -3.215 -9.671 557 HE2 MET 27 2HE MET 27 4.250 -1.907 -8.745 558 HE3 MET 27 3HE MET 27 3.234 -3.155 -9.463 559 H ALA 28 H ALA 28 -0.632 -5.518 -7.921 560 HA ALA 28 HA ALA 28 -3.057 -6.046 -6.868 561 HB1 ALA 28 1HB ALA 28 -2.034 -7.149 -8.824 562 HB2 ALA 28 2HB ALA 28 -2.882 -8.265 -7.753 563 HB3 ALA 28 3HB ALA 28 -1.121 -8.183 -7.723 564 H GLU 29 H GLU 29 -0.099 -7.714 -5.651 565 HA GLU 29 HA GLU 29 -1.568 -8.056 -3.123 566 HB2 GLU 29 2HB GLU 29 0.426 -10.100 -4.023 567 HB3 GLU 29 1HB GLU 29 -0.876 -10.266 -2.857 568 HG2 GLU 29 2HG GLU 29 -2.084 -11.235 -4.433 569 HG3 GLU 29 1HG GLU 29 -2.107 -9.701 -5.309 570 H ARG 30 H ARG 30 0.546 -6.085 -4.075 571 HA ARG 30 HA ARG 30 2.166 -6.289 -1.701 572 HB2 ARG 30 2HB ARG 30 4.323 -6.482 -2.672 573 HB3 ARG 30 1HB ARG 30 3.355 -7.781 -3.349 574 HG2 ARG 30 2HG ARG 30 3.533 -5.234 -4.877 575 HG3 ARG 30 1HG ARG 30 4.944 -6.293 -4.848 576 HD2 ARG 30 2HD ARG 30 2.220 -6.783 -5.966 577 HD3 ARG 30 1HD ARG 30 3.797 -7.027 -6.713 578 HE ARG 30 HE ARG 30 3.819 -8.830 -4.718 579 HH11 ARG 30 1HH1 ARG 30 1.566 -8.152 -7.304 580 HH12 ARG 30 2HH1 ARG 30 0.852 -9.741 -7.284 581 HH21 ARG 30 1HH2 ARG 30 2.944 -10.937 -4.732 582 HH22 ARG 30 2HH2 ARG 30 1.642 -11.329 -5.826 583 H ILE 31 H ILE 31 3.565 -4.464 -1.375 584 HA ILE 31 HA ILE 31 2.723 -2.106 -2.922 585 HB ILE 31 HB ILE 31 1.811 -1.763 -0.768 586 HG12 ILE 31 2HG1 ILE 31 4.522 -0.421 -0.668 587 HG13 ILE 31 1HG1 ILE 31 3.159 0.150 -1.625 588 HG21 ILE 31 1HG2 ILE 31 4.423 -2.708 0.399 589 HG22 ILE 31 2HG2 ILE 31 2.898 -3.594 0.387 590 HG23 ILE 31 3HG2 ILE 31 3.045 -2.106 1.323 591 HD11 ILE 31 1HD1 ILE 31 3.286 1.439 0.376 592 HD12 ILE 31 2HD1 ILE 31 3.337 -0.015 1.371 593 HD13 ILE 31 3HD1 ILE 31 1.868 0.394 0.485 594 H ALA 32 H ALA 32 4.335 -1.113 -3.973 595 HA ALA 32 HA ALA 32 7.066 -1.596 -3.007 596 HB1 ALA 32 1HB ALA 32 6.702 -3.067 -4.866 597 HB2 ALA 32 2HB ALA 32 7.806 -1.779 -5.351 598 HB3 ALA 32 3HB ALA 32 6.118 -1.732 -5.857 599 H TRP 33 H TRP 33 8.609 -0.043 -3.528 600 HA TRP 33 HA TRP 33 7.573 2.564 -4.397 601 HB2 TRP 33 2HB TRP 33 7.697 2.645 -1.974 602 HB3 TRP 33 1HB TRP 33 9.327 1.994 -1.997 603 HD1 TRP 33 HD TRP 33 7.395 5.244 -2.655 604 HE1 TRP 33 1HE TRP 33 9.065 7.202 -2.641 605 HE3 TRP 33 3HE TRP 33 11.758 2.592 -2.391 606 HZ2 TRP 33 2HZ TRP 33 11.853 7.569 -2.533 607 HZ3 TRP 33 3HZ TRP 33 13.883 3.829 -2.339 608 HH2 TRP 33 HH TRP 33 13.927 6.267 -2.414 609 H ALA 34 H ALA 34 8.764 3.445 -5.946 610 HA ALA 34 HA ALA 34 11.521 2.477 -6.333 611 HB1 ALA 34 1HB ALA 34 9.492 3.047 -8.493 612 HB2 ALA 34 2HB ALA 34 10.058 1.451 -8.000 613 HB3 ALA 34 3HB ALA 34 11.176 2.589 -8.752 614 HA PRO 35 HA PRO 35 12.545 6.782 -6.017 615 HB2 PRO 35 2HB PRO 35 14.892 6.562 -7.519 616 HB3 PRO 35 1HB PRO 35 14.758 6.362 -5.772 617 HG2 PRO 35 2HG PRO 35 14.875 4.300 -7.915 618 HG3 PRO 35 1HG PRO 35 15.530 4.254 -6.269 619 HD2 PRO 35 2HD PRO 35 13.302 2.914 -6.957 620 HD3 PRO 35 1HD PRO 35 13.503 3.637 -5.348 621 H GLU 36 H GLU 36 12.151 8.552 -7.261 622 HA GLU 36 HA GLU 36 10.806 8.222 -9.710 623 HB2 GLU 36 2HB GLU 36 10.620 10.124 -7.980 624 HB3 GLU 36 1HB GLU 36 11.998 10.831 -8.813 625 HG2 GLU 36 2HG GLU 36 9.862 11.746 -9.585 626 HG3 GLU 36 1HG GLU 36 10.751 10.936 -10.875 627 H GLY 37 H GLY 37 11.452 8.210 -11.745 628 HA2 GLY 37 2HA GLY 37 12.788 8.615 -13.603 629 HA3 GLY 37 1HA GLY 37 13.960 9.402 -12.556 630 H LYS 38 H LYS 38 13.174 6.495 -11.189 631 HA LYS 38 HA LYS 38 15.483 5.173 -12.458 632 HB2 LYS 38 2HB LYS 38 14.484 5.153 -9.615 633 HB3 LYS 38 1HB LYS 38 15.496 3.852 -10.223 634 HG2 LYS 38 2HG LYS 38 16.902 5.398 -9.084 635 HG3 LYS 38 1HG LYS 38 17.220 5.564 -10.810 636 HD2 LYS 38 2HD LYS 38 16.760 7.736 -10.693 637 HD3 LYS 38 1HD LYS 38 15.134 7.370 -10.118 638 HE2 LYS 38 2HE LYS 38 16.166 7.141 -7.806 639 HE3 LYS 38 1HE LYS 38 17.618 7.866 -8.493 640 HZ1 LYS 38 1HZ LYS 38 14.967 9.179 -8.710 641 HZ2 LYS 38 2HZ LYS 38 16.499 9.868 -8.900 642 HZ3 LYS 38 3HZ LYS 38 15.963 9.416 -7.357 643 H ASP 39 H ASP 39 15.297 2.971 -12.978 644 HA ASP 39 HA ASP 39 12.534 2.088 -13.364 645 HB2 ASP 39 2HB ASP 39 13.350 0.707 -15.112 646 HB3 ASP 39 1HB ASP 39 14.224 2.228 -15.265 647 H ARG 40 H ARG 40 14.267 1.776 -10.815 648 HA ARG 40 HA ARG 40 13.704 -1.092 -10.521 649 HB2 ARG 40 2HB ARG 40 16.242 -0.122 -10.694 650 HB3 ARG 40 1HB ARG 40 15.983 -0.081 -8.956 651 HG2 ARG 40 2HG ARG 40 17.038 -2.167 -9.779 652 HG3 ARG 40 1HG ARG 40 15.535 -2.424 -8.893 653 HD2 ARG 40 2HD ARG 40 15.716 -3.823 -10.924 654 HD3 ARG 40 1HD ARG 40 14.321 -2.746 -10.951 655 HE ARG 40 HE ARG 40 15.309 -1.515 -12.670 656 HH11 ARG 40 1HH1 ARG 40 17.420 -4.085 -11.576 657 HH12 ARG 40 2HH1 ARG 40 18.457 -4.000 -12.958 658 HH21 ARG 40 1HH2 ARG 40 16.643 -1.400 -14.506 659 HH22 ARG 40 2HH2 ARG 40 18.017 -2.465 -14.633 660 H PHE 41 H PHE 41 12.805 -1.727 -8.645 661 HA PHE 41 HA PHE 41 11.920 0.387 -6.826 662 HB2 PHE 41 2HB PHE 41 11.043 -2.493 -7.165 663 HB3 PHE 41 1HB PHE 41 10.406 -1.414 -5.934 664 HD1 PHE 41 1HD PHE 41 10.897 -1.489 -9.643 665 HD2 PHE 41 2HD PHE 41 8.425 -0.375 -6.365 666 HE1 PHE 41 1HE PHE 41 9.159 -0.734 -11.213 667 HE2 PHE 41 2HE PHE 41 6.685 0.384 -7.926 668 HZ PHE 41 HZ PHE 41 7.045 0.199 -10.354 669 H THR 42 H THR 42 12.982 0.677 -4.963 670 HA THR 42 HA THR 42 14.872 -1.337 -4.077 671 HB THR 42 HB THR 42 15.141 0.574 -2.225 672 HG1 THR 42 1HG THR 42 14.517 2.538 -2.969 673 HG21 THR 42 1HG2 THR 42 16.910 -0.171 -3.718 674 HG22 THR 42 2HG2 THR 42 16.859 1.593 -3.681 675 HG23 THR 42 3HG2 THR 42 16.184 0.720 -5.057 676 H ILE 43 H ILE 43 11.682 -0.362 -3.386 677 HA ILE 43 HA ILE 43 11.710 -1.977 -0.917 678 HB ILE 43 HB ILE 43 9.973 0.432 -1.480 679 HG12 ILE 43 2HG1 ILE 43 12.319 0.999 -0.911 680 HG13 ILE 43 1HG1 ILE 43 11.180 1.535 0.318 681 HG21 ILE 43 1HG2 ILE 43 10.098 -1.351 0.946 682 HG22 ILE 43 2HG2 ILE 43 8.772 -1.252 -0.213 683 HG23 ILE 43 3HG2 ILE 43 9.152 0.133 0.812 684 HD11 ILE 43 1HD1 ILE 43 13.190 0.598 1.310 685 HD12 ILE 43 2HD1 ILE 43 12.904 -0.927 0.471 686 HD13 ILE 43 3HD1 ILE 43 11.773 -0.375 1.707 687 H SER 44 H SER 44 10.452 -3.729 -1.033 688 HA SER 44 HA SER 44 7.976 -3.667 -2.561 689 HB2 SER 44 2HB SER 44 9.692 -4.462 -4.172 690 HB3 SER 44 1HB SER 44 10.108 -5.767 -3.063 691 HG SER 44 HG SER 44 7.920 -6.496 -3.274 692 H HIS 45 H HIS 45 6.682 -4.056 -0.846 693 HA HIS 45 HA HIS 45 7.277 -6.440 0.800 694 HB2 HIS 45 2HB HIS 45 5.904 -3.852 1.516 695 HB3 HIS 45 1HB HIS 45 5.731 -5.304 2.491 696 HD1 HIS 45 1HD HIS 45 8.110 -6.247 3.491 697 HD2 HIS 45 2HD HIS 45 8.012 -2.329 2.131 698 HE1 HIS 45 1HE HIS 45 10.084 -5.083 4.549 699 H MET 46 H MET 46 5.756 -8.002 0.956 700 HA MET 46 HA MET 46 3.448 -7.723 -0.785 701 HB2 MET 46 2HB MET 46 4.422 -10.037 0.916 702 HB3 MET 46 1HB MET 46 3.006 -10.100 -0.125 703 HG2 MET 46 2HG MET 46 5.615 -9.316 -1.314 704 HG3 MET 46 1HG MET 46 5.334 -11.010 -0.914 705 HE1 MET 46 1HE MET 46 2.196 -11.874 -3.067 706 HE2 MET 46 2HE MET 46 2.217 -11.314 -1.394 707 HE3 MET 46 3HE MET 46 3.415 -12.484 -1.947 708 H TYR 47 H TYR 47 1.336 -7.688 -0.061 709 HA TYR 47 HA TYR 47 0.838 -6.411 2.385 710 HB2 TYR 47 2HB TYR 47 -1.082 -7.955 0.631 711 HB3 TYR 47 1HB TYR 47 -1.557 -6.883 1.944 712 HD1 TYR 47 1HD TYR 47 0.349 -4.629 1.494 713 HD2 TYR 47 2HD TYR 47 -1.966 -6.904 -1.250 714 HE1 TYR 47 1HE TYR 47 0.343 -2.731 -0.069 715 HE2 TYR 47 2HE TYR 47 -1.977 -5.016 -2.818 716 HH TYR 47 HH TYR 47 -1.518 -2.836 -3.069 717 H ALA 48 H ALA 48 1.140 -9.737 1.571 718 HA ALA 48 HA ALA 48 -0.253 -10.814 3.809 719 HB1 ALA 48 1HB ALA 48 0.705 -12.941 3.133 720 HB2 ALA 48 2HB ALA 48 1.800 -12.113 2.027 721 HB3 ALA 48 3HB ALA 48 0.062 -12.076 1.738 722 H ASP 49 H ASP 49 2.872 -9.420 3.436 723 HA ASP 49 HA ASP 49 3.935 -10.828 5.772 724 HB2 ASP 49 2HB ASP 49 5.454 -8.595 4.509 725 HB3 ASP 49 1HB ASP 49 6.045 -10.104 5.179 726 H ILE 50 H ILE 50 2.161 -8.081 5.056 727 HA ILE 50 HA ILE 50 3.303 -6.455 7.188 728 HB ILE 50 HB ILE 50 0.948 -5.823 5.406 729 HG12 ILE 50 2HG1 ILE 50 3.813 -4.906 5.101 730 HG13 ILE 50 1HG1 ILE 50 3.127 -6.252 4.198 731 HG21 ILE 50 1HG2 ILE 50 1.020 -4.522 7.462 732 HG22 ILE 50 2HG2 ILE 50 1.396 -3.509 6.068 733 HG23 ILE 50 3HG2 ILE 50 2.690 -4.065 7.129 734 HD11 ILE 50 1HD1 ILE 50 3.138 -4.254 2.855 735 HD12 ILE 50 2HD1 ILE 50 2.226 -3.384 4.089 736 HD13 ILE 50 3HD1 ILE 50 1.477 -4.724 3.218 737 H LYS 51 H LYS 51 2.495 -6.333 9.173 738 HA LYS 51 HA LYS 51 0.262 -7.981 9.952 739 HB2 LYS 51 2HB LYS 51 2.243 -7.809 11.381 740 HB3 LYS 51 1HB LYS 51 2.003 -6.076 11.535 741 HG2 LYS 51 2HG LYS 51 -0.277 -6.689 12.548 742 HG3 LYS 51 1HG LYS 51 0.404 -8.308 12.723 743 HD2 LYS 51 2HD LYS 51 1.698 -5.805 13.801 744 HD3 LYS 51 1HD LYS 51 0.642 -6.855 14.747 745 HE2 LYS 51 2HE LYS 51 2.444 -8.045 15.277 746 HE3 LYS 51 1HE LYS 51 2.511 -8.569 13.595 747 HZ1 LYS 51 1HZ LYS 51 4.621 -7.660 14.297 748 HZ2 LYS 51 2HZ LYS 51 3.890 -6.197 14.734 749 HZ3 LYS 51 3HZ LYS 51 3.938 -6.664 13.107 750 H CYS 52 H CYS 52 1.041 -4.532 10.177 751 HA CYS 52 HA CYS 52 -1.678 -3.775 9.593 752 HB2 CYS 52 2HB CYS 52 -1.645 -2.254 11.702 753 HB3 CYS 52 1HB CYS 52 -2.093 -3.946 11.894 754 HG CYS 52 HG CYS 52 0.124 -2.305 13.529 755 H GLN 53 H GLN 53 -1.681 -1.124 9.857 756 HA GLN 53 HA GLN 53 0.967 -0.247 8.954 757 HB2 GLN 53 2HB GLN 53 -0.382 1.160 7.258 758 HB3 GLN 53 1HB GLN 53 -0.206 -0.548 6.922 759 HG2 GLN 53 2HG GLN 53 -2.386 -1.010 7.351 760 HG3 GLN 53 1HG GLN 53 -2.569 0.338 8.468 761 HE21 GLN 53 1HE2 GLN 53 -4.392 -0.308 6.480 762 HE22 GLN 53 2HE2 GLN 53 -4.430 0.988 5.331 763 H LYS 54 H LYS 54 1.059 2.195 9.075 764 HA LYS 54 HA LYS 54 -0.891 3.419 10.906 765 HB2 LYS 54 2HB LYS 54 2.093 3.733 11.387 766 HB3 LYS 54 1HB LYS 54 0.770 4.312 12.373 767 HG2 LYS 54 2HG LYS 54 0.371 1.600 12.357 768 HG3 LYS 54 1HG LYS 54 2.131 1.761 12.412 769 HD2 LYS 54 2HD LYS 54 1.156 3.704 14.158 770 HD3 LYS 54 1HD LYS 54 0.177 2.271 14.469 771 HE2 LYS 54 2HE LYS 54 3.164 2.203 14.320 772 HE3 LYS 54 1HE LYS 54 2.288 2.520 15.816 773 HZ1 LYS 54 1HZ LYS 54 2.032 0.076 14.150 774 HZ2 LYS 54 2HZ LYS 54 1.180 0.382 15.580 775 HZ3 LYS 54 3HZ LYS 54 2.864 0.184 15.620 776 H ILE 55 H ILE 55 -0.516 5.799 10.940 777 HA ILE 55 HA ILE 55 0.919 6.742 8.521 778 HB ILE 55 HB ILE 55 -1.104 8.357 8.277 779 HG12 ILE 55 2HG1 ILE 55 -2.230 6.183 10.016 780 HG13 ILE 55 1HG1 ILE 55 -2.125 7.896 10.370 781 HG21 ILE 55 1HG2 ILE 55 -1.458 5.427 7.630 782 HG22 ILE 55 2HG2 ILE 55 -0.616 6.611 6.630 783 HG23 ILE 55 3HG2 ILE 55 -2.355 6.754 6.890 784 HD11 ILE 55 1HD1 ILE 55 -3.797 8.357 8.696 785 HD12 ILE 55 2HD1 ILE 55 -4.377 7.207 9.901 786 HD13 ILE 55 3HD1 ILE 55 -3.889 6.639 8.305 787 H SER 56 H SER 56 2.140 8.637 8.965 788 HA SER 56 HA SER 56 1.927 9.687 11.613 789 HB2 SER 56 2HB SER 56 3.412 11.556 10.773 790 HB3 SER 56 1HB SER 56 4.088 9.939 10.603 791 HG SER 56 HG SER 56 3.792 11.743 8.744 792 HA PRO 57 HA PRO 57 -2.016 11.437 10.870 793 HB2 PRO 57 2HB PRO 57 -2.033 12.859 13.234 794 HB3 PRO 57 1HB PRO 57 -2.462 11.154 13.062 795 HG2 PRO 57 2HG PRO 57 0.137 12.374 13.903 796 HG3 PRO 57 1HG PRO 57 -0.724 10.983 14.592 797 HD2 PRO 57 2HD PRO 57 1.342 10.622 12.981 798 HD3 PRO 57 1HD PRO 57 -0.089 9.579 12.862 799 H GLU 58 H GLU 58 -3.047 13.546 10.892 800 HA GLU 58 HA GLU 58 -1.611 15.560 9.588 801 HB2 GLU 58 2HB GLU 58 -3.904 16.638 10.987 802 HB3 GLU 58 1HB GLU 58 -3.654 16.436 9.262 803 HG2 GLU 58 2HG GLU 58 -4.675 14.305 11.130 804 HG3 GLU 58 1HG GLU 58 -5.672 15.301 10.074 805 H GLY 59 H GLY 59 -0.761 17.509 10.356 806 HA2 GLY 59 2HA GLY 59 -0.459 19.077 12.220 807 HA3 GLY 59 1HA GLY 59 -0.452 17.677 13.291 808 H LYS 60 H LYS 60 1.157 16.023 11.541 809 HA LYS 60 HA LYS 60 3.763 16.951 12.272 810 HB2 LYS 60 2HB LYS 60 2.692 14.591 10.782 811 HB3 LYS 60 1HB LYS 60 4.365 15.031 10.498 812 HG2 LYS 60 2HG LYS 60 4.570 14.941 13.092 813 HG3 LYS 60 1HG LYS 60 3.079 13.994 12.993 814 HD2 LYS 60 2HD LYS 60 4.087 12.306 11.741 815 HD3 LYS 60 1HD LYS 60 5.433 13.332 11.258 816 HE2 LYS 60 2HE LYS 60 4.927 12.158 13.981 817 HE3 LYS 60 1HE LYS 60 6.178 11.677 12.843 818 HZ1 LYS 60 1HZ LYS 60 7.162 13.891 13.084 819 HZ2 LYS 60 2HZ LYS 60 7.104 13.037 14.556 820 HZ3 LYS 60 3HZ LYS 60 5.988 14.275 14.251 821 H ALA 61 H ALA 61 5.461 17.536 10.744 822 HA ALA 61 HA ALA 61 4.481 19.289 8.700 823 HB1 ALA 61 1HB ALA 61 6.469 19.818 10.065 824 HB2 ALA 61 2HB ALA 61 6.806 19.869 8.335 825 HB3 ALA 61 3HB ALA 61 7.328 18.485 9.295 826 H LYS 62 H LYS 62 4.782 16.057 8.732 827 HA LYS 62 HA LYS 62 4.848 15.910 5.851 828 HB2 LYS 62 2HB LYS 62 6.493 13.785 6.447 829 HB3 LYS 62 1HB LYS 62 7.011 15.319 5.764 830 HG2 LYS 62 2HG LYS 62 7.043 15.943 8.380 831 HG3 LYS 62 1HG LYS 62 7.400 14.217 8.466 832 HD2 LYS 62 2HD LYS 62 8.880 16.128 6.666 833 HD3 LYS 62 1HD LYS 62 9.403 15.741 8.306 834 HE2 LYS 62 2HE LYS 62 9.466 13.347 7.664 835 HE3 LYS 62 1HE LYS 62 9.077 13.816 6.010 836 HZ1 LYS 62 1HZ LYS 62 11.555 14.265 7.533 837 HZ2 LYS 62 2HZ LYS 62 11.150 15.310 6.266 838 HZ3 LYS 62 3HZ LYS 62 11.354 13.656 5.959 839 H ILE 63 H ILE 63 2.980 14.951 5.513 840 HA ILE 63 HA ILE 63 1.810 13.024 7.284 841 HB ILE 63 HB ILE 63 1.028 13.692 4.435 842 HG12 ILE 63 2HG1 ILE 63 -0.689 14.895 6.377 843 HG13 ILE 63 1HG1 ILE 63 0.973 15.335 6.755 844 HG21 ILE 63 1HG2 ILE 63 0.020 11.637 5.274 845 HG22 ILE 63 2HG2 ILE 63 -1.188 12.906 5.081 846 HG23 ILE 63 3HG2 ILE 63 -0.582 12.503 6.687 847 HD11 ILE 63 1HD1 ILE 63 1.263 16.190 4.495 848 HD12 ILE 63 2HD1 ILE 63 -0.089 16.976 5.312 849 HD13 ILE 63 3HD1 ILE 63 -0.393 15.728 4.105 850 H GLN 64 H GLN 64 2.430 10.905 7.378 851 HA GLN 64 HA GLN 64 3.465 9.721 4.865 852 HB2 GLN 64 2HB GLN 64 4.825 9.398 7.540 853 HB3 GLN 64 1HB GLN 64 5.374 8.766 5.995 854 HG2 GLN 64 2HG GLN 64 6.032 10.863 5.232 855 HG3 GLN 64 1HG GLN 64 5.050 11.710 6.427 856 HE21 GLN 64 1HE2 GLN 64 5.853 10.083 8.638 857 HE22 GLN 64 2HE2 GLN 64 7.493 10.484 9.011 858 H LEU 65 H LEU 65 3.849 7.352 5.062 859 HA LEU 65 HA LEU 65 1.800 6.080 6.763 860 HB2 LEU 65 2HB LEU 65 1.366 6.017 4.280 861 HB3 LEU 65 1HB LEU 65 2.830 5.065 4.111 862 HG LEU 65 HG LEU 65 1.585 3.566 5.942 863 HD11 LEU 65 1HD1 LEU 65 -0.369 4.970 6.104 864 HD12 LEU 65 2HD1 LEU 65 -0.791 3.403 5.415 865 HD13 LEU 65 3HD1 LEU 65 -0.650 4.817 4.370 866 HD21 LEU 65 1HD2 LEU 65 2.441 2.891 3.713 867 HD22 LEU 65 2HD2 LEU 65 0.898 3.400 3.026 868 HD23 LEU 65 3HD2 LEU 65 0.950 2.086 4.201 869 H GLN 66 H GLN 66 2.365 4.155 7.786 870 HA GLN 66 HA GLN 66 5.186 3.329 7.607 871 HB2 GLN 66 2HB GLN 66 4.647 4.697 9.647 872 HB3 GLN 66 1HB GLN 66 3.536 3.427 10.132 873 HG2 GLN 66 2HG GLN 66 5.291 1.866 10.413 874 HG3 GLN 66 1HG GLN 66 6.455 2.935 9.630 875 HE21 GLN 66 1HE2 GLN 66 7.255 4.698 10.743 876 HE22 GLN 66 2HE2 GLN 66 7.125 4.843 12.465 877 H LEU 67 H LEU 67 5.340 1.262 7.033 878 HA LEU 67 HA LEU 67 3.016 -0.485 7.357 879 HB2 LEU 67 2HB LEU 67 5.571 -0.724 5.786 880 HB3 LEU 67 1HB LEU 67 4.455 -2.063 5.972 881 HG LEU 67 HG LEU 67 3.901 0.567 4.608 882 HD11 LEU 67 1HD1 LEU 67 3.654 -0.855 2.629 883 HD12 LEU 67 2HD1 LEU 67 4.106 -2.262 3.592 884 HD13 LEU 67 3HD1 LEU 67 5.272 -0.969 3.321 885 HD21 LEU 67 1HD2 LEU 67 1.906 -0.145 5.770 886 HD22 LEU 67 2HD2 LEU 67 2.083 -1.782 5.140 887 HD23 LEU 67 3HD2 LEU 67 1.718 -0.451 4.043 888 H VAL 68 H VAL 68 2.921 -1.587 9.231 889 HA VAL 68 HA VAL 68 5.435 -2.398 10.491 890 HB VAL 68 HB VAL 68 2.611 -2.538 11.574 891 HG11 VAL 68 1HG1 VAL 68 5.249 -3.153 12.911 892 HG12 VAL 68 2HG1 VAL 68 4.015 -4.332 12.466 893 HG13 VAL 68 3HG1 VAL 68 3.674 -3.124 13.705 894 HG21 VAL 68 1HG2 VAL 68 3.393 -0.268 11.438 895 HG22 VAL 68 2HG2 VAL 68 4.928 -0.714 12.183 896 HG23 VAL 68 3HG2 VAL 68 3.438 -0.788 13.123 897 H LEU 69 H LEU 69 6.207 -4.220 9.749 898 HA LEU 69 HA LEU 69 4.577 -6.192 8.514 899 HB2 LEU 69 2HB LEU 69 7.459 -6.364 9.352 900 HB3 LEU 69 1HB LEU 69 6.625 -7.493 8.298 901 HG LEU 69 HG LEU 69 7.701 -4.803 7.723 902 HD11 LEU 69 1HD1 LEU 69 7.334 -7.314 6.122 903 HD12 LEU 69 2HD1 LEU 69 8.806 -6.799 6.946 904 HD13 LEU 69 3HD1 LEU 69 8.186 -5.869 5.580 905 HD21 LEU 69 1HD2 LEU 69 6.237 -4.449 5.819 906 HD22 LEU 69 2HD2 LEU 69 5.358 -4.367 7.345 907 HD23 LEU 69 3HD2 LEU 69 5.238 -5.809 6.334 908 H HIS 70 H HIS 70 5.169 -8.612 9.242 909 HA HIS 70 HA HIS 70 3.670 -9.009 11.583 910 HB2 HIS 70 2HB HIS 70 5.305 -10.873 9.891 911 HB3 HIS 70 1HB HIS 70 4.428 -11.428 11.315 912 HD1 HIS 70 1HD HIS 70 1.894 -9.527 10.761 913 HD2 HIS 70 2HD HIS 70 3.674 -12.146 8.086 914 HE1 HIS 70 1HE HIS 70 0.149 -10.048 9.014 915 H ALA 71 H ALA 71 7.197 -9.373 11.097 916 HA ALA 71 HA ALA 71 7.636 -10.336 13.745 917 HB1 ALA 71 1HB ALA 71 9.173 -10.818 11.908 918 HB2 ALA 71 2HB ALA 71 10.000 -10.045 13.260 919 HB3 ALA 71 3HB ALA 71 9.603 -9.110 11.817 920 H GLY 72 H GLY 72 7.284 -7.199 12.394 921 HA2 GLY 72 2HA GLY 72 6.722 -5.437 14.065 922 HA3 GLY 72 1HA GLY 72 8.137 -5.992 14.959 923 H ASP 73 H ASP 73 8.004 -5.868 11.548 924 HA ASP 73 HA ASP 73 10.280 -4.090 11.396 925 HB2 ASP 73 2HB ASP 73 8.831 -5.199 9.016 926 HB3 ASP 73 1HB ASP 73 10.548 -4.926 9.225 927 H THR 74 H THR 74 10.175 -2.181 9.932 928 HA THR 74 HA THR 74 7.466 -1.271 9.374 929 HB THR 74 HB THR 74 8.223 1.027 10.392 930 HG1 THR 74 1HG THR 74 9.732 -0.835 11.938 931 HG21 THR 74 1HG2 THR 74 6.298 -0.258 11.172 932 HG22 THR 74 2HG2 THR 74 7.184 0.444 12.526 933 HG23 THR 74 3HG2 THR 74 7.365 -1.269 12.147 934 H THR 75 H THR 75 7.291 -0.046 7.629 935 HA THR 75 HA THR 75 9.739 1.019 6.383 936 HB THR 75 HB THR 75 7.364 0.287 4.721 937 HG1 THR 75 1HG THR 75 8.919 -1.815 4.651 938 HG21 THR 75 1HG2 THR 75 9.134 -0.228 3.077 939 HG22 THR 75 2HG2 THR 75 10.352 0.190 4.282 940 HG23 THR 75 3HG2 THR 75 9.244 1.426 3.682 941 H ASN 76 H ASN 76 9.698 3.188 6.259 942 HA ASN 76 HA ASN 76 7.150 4.572 6.601 943 HB2 ASN 76 2HB ASN 76 9.997 5.291 7.050 944 HB3 ASN 76 1HB ASN 76 8.902 6.594 6.602 945 HD21 ASN 76 1HD2 ASN 76 10.081 6.766 8.976 946 HD22 ASN 76 2HD2 ASN 76 8.949 6.451 10.241 947 H PHE 77 H PHE 77 6.226 5.853 5.147 948 HA PHE 77 HA PHE 77 7.653 6.403 2.634 949 HB2 PHE 77 2HB PHE 77 4.797 5.444 2.936 950 HB3 PHE 77 1HB PHE 77 5.472 6.078 1.437 951 HD1 PHE 77 1HD PHE 77 4.674 3.165 3.073 952 HD2 PHE 77 2HD PHE 77 7.860 4.925 0.869 953 HE1 PHE 77 1HE PHE 77 5.523 0.926 2.516 954 HE2 PHE 77 2HE PHE 77 8.713 2.690 0.305 955 HZ PHE 77 HZ PHE 77 7.542 0.684 1.129 956 H HIS 78 H HIS 78 7.997 8.510 2.747 957 HA HIS 78 HA HIS 78 6.082 10.303 3.991 958 HB2 HIS 78 2HB HIS 78 8.409 10.662 4.487 959 HB3 HIS 78 1HB HIS 78 8.829 10.684 2.783 960 HD1 HIS 78 1HD HIS 78 9.997 13.014 3.680 961 HD2 HIS 78 2HD HIS 78 5.848 12.955 3.354 962 HE1 HIS 78 1HE HIS 78 9.250 15.429 3.568 963 H PHE 79 H PHE 79 4.461 11.135 2.883 964 HA PHE 79 HA PHE 79 4.468 11.177 -0.003 965 HB2 PHE 79 2HB PHE 79 2.439 12.212 1.999 966 HB3 PHE 79 1HB PHE 79 2.192 12.145 0.259 967 HD1 PHE 79 1HD PHE 79 2.407 10.198 3.346 968 HD2 PHE 79 2HD PHE 79 1.784 10.049 -0.859 969 HE1 PHE 79 1HE PHE 79 1.527 7.912 3.563 970 HE2 PHE 79 2HE PHE 79 0.903 7.762 -0.650 971 HZ PHE 79 HZ PHE 79 0.769 6.693 1.562 972 H SER 80 H SER 80 6.310 12.568 -0.214 973 HA SER 80 HA SER 80 6.254 15.257 0.758 974 HB2 SER 80 2HB SER 80 8.218 15.326 -1.059 975 HB3 SER 80 1HB SER 80 8.426 14.605 0.538 976 HG SER 80 HG SER 80 7.456 13.032 -1.584 977 H ASN 81 H ASN 81 4.044 14.374 -1.057 978 HA ASN 81 HA ASN 81 4.444 16.293 -3.245 979 HB2 ASN 81 2HB ASN 81 3.798 13.950 -3.866 980 HB3 ASN 81 1HB ASN 81 2.288 14.181 -2.988 981 HD21 ASN 81 1HD2 ASN 81 1.108 13.820 -4.866 982 HD22 ASN 81 2HD2 ASN 81 0.985 15.034 -6.104 983 H GLU 82 H GLU 82 4.018 18.157 -2.115 984 HA GLU 82 HA GLU 82 2.132 18.739 -0.234 985 HB2 GLU 82 2HB GLU 82 2.214 20.920 -2.110 986 HB3 GLU 82 1HB GLU 82 2.907 20.817 -0.501 987 HG2 GLU 82 2HG GLU 82 4.684 21.323 -1.947 988 HG3 GLU 82 1HG GLU 82 4.862 19.618 -1.543 989 H SER 83 H SER 83 1.682 18.683 -3.713 990 HA SER 83 HA SER 83 -0.820 19.761 -3.991 991 HB2 SER 83 2HB SER 83 0.068 17.338 -5.544 992 HB3 SER 83 1HB SER 83 -0.918 18.692 -6.096 993 HG SER 83 HG SER 83 1.514 19.518 -5.175 994 H THR 84 H THR 84 -0.179 16.242 -3.551 995 HA THR 84 HA THR 84 -2.890 16.056 -2.425 996 HB THR 84 HB THR 84 -2.744 13.656 -3.599 997 HG1 THR 84 1HG THR 84 -0.878 13.840 -4.724 998 HG21 THR 84 1HG2 THR 84 -3.580 16.189 -5.020 999 HG22 THR 84 2HG2 THR 84 -4.557 15.303 -3.850 1000 HG23 THR 84 3HG2 THR 84 -4.135 14.555 -5.390 1001 H ALA 85 H ALA 85 -0.362 16.129 -0.982 1002 HA ALA 85 HA ALA 85 0.680 13.690 -0.229 1003 HB1 ALA 85 1HB ALA 85 0.232 16.042 1.604 1004 HB2 ALA 85 2HB ALA 85 1.579 15.870 0.479 1005 HB3 ALA 85 3HB ALA 85 1.405 14.743 1.824 1006 H VAL 86 H VAL 86 -1.778 15.447 1.638 1007 HA VAL 86 HA VAL 86 -2.448 13.357 3.362 1008 HB VAL 86 HB VAL 86 -4.115 15.693 2.418 1009 HG11 VAL 86 1HG1 VAL 86 -4.534 13.848 4.767 1010 HG12 VAL 86 2HG1 VAL 86 -5.581 14.012 3.358 1011 HG13 VAL 86 3HG1 VAL 86 -5.419 15.350 4.497 1012 HG21 VAL 86 1HG2 VAL 86 -2.552 15.383 4.963 1013 HG22 VAL 86 2HG2 VAL 86 -3.415 16.816 4.405 1014 HG23 VAL 86 3HG2 VAL 86 -1.985 16.254 3.539 1015 H LYS 87 H LYS 87 -3.685 14.247 0.209 1016 HA LYS 87 HA LYS 87 -5.951 12.565 0.172 1017 HB2 LYS 87 2HB LYS 87 -4.338 13.734 -2.099 1018 HB3 LYS 87 1HB LYS 87 -5.875 12.908 -2.301 1019 HG2 LYS 87 2HG LYS 87 -6.682 15.009 -2.227 1020 HG3 LYS 87 1HG LYS 87 -6.599 14.743 -0.484 1021 HD2 LYS 87 2HD LYS 87 -4.681 16.030 -0.249 1022 HD3 LYS 87 1HD LYS 87 -4.237 15.857 -1.949 1023 HE2 LYS 87 2HE LYS 87 -6.213 17.252 -2.540 1024 HE3 LYS 87 1HE LYS 87 -6.495 17.510 -0.820 1025 HZ1 LYS 87 1HZ LYS 87 -4.005 18.274 -2.265 1026 HZ2 LYS 87 2HZ LYS 87 -4.369 18.603 -0.643 1027 HZ3 LYS 87 3HZ LYS 87 -5.265 19.338 -1.873 1028 H GLU 88 H GLU 88 -2.735 12.153 -1.336 1029 HA GLU 88 HA GLU 88 -3.230 9.533 -2.266 1030 HB2 GLU 88 2HB GLU 88 -0.631 10.974 -1.694 1031 HB3 GLU 88 1HB GLU 88 -0.736 9.413 -2.498 1032 HG2 GLU 88 2HG GLU 88 -1.873 10.348 -4.357 1033 HG3 GLU 88 1HG GLU 88 -2.122 11.876 -3.517 1034 H ARG 89 H ARG 89 -2.127 10.836 0.765 1035 HA ARG 89 HA ARG 89 -1.065 8.549 1.966 1036 HB2 ARG 89 2HB ARG 89 -0.965 10.855 2.914 1037 HB3 ARG 89 1HB ARG 89 -2.676 10.746 3.293 1038 HG2 ARG 89 2HG ARG 89 -0.853 8.664 4.379 1039 HG3 ARG 89 1HG ARG 89 -0.821 10.273 5.096 1040 HD2 ARG 89 2HD ARG 89 -3.098 8.317 4.960 1041 HD3 ARG 89 1HD ARG 89 -2.361 9.046 6.382 1042 HE ARG 89 HE ARG 89 -4.279 10.318 4.556 1043 HH11 ARG 89 1HH1 ARG 89 -2.347 10.512 7.486 1044 HH12 ARG 89 2HH1 ARG 89 -3.279 11.825 8.151 1045 HH21 ARG 89 1HH2 ARG 89 -5.475 12.014 5.425 1046 HH22 ARG 89 2HH2 ARG 89 -5.004 12.729 6.955 1047 H ASP 90 H ASP 90 -4.362 9.841 2.072 1048 HA ASP 90 HA ASP 90 -5.487 7.683 3.515 1049 HB2 ASP 90 2HB ASP 90 -6.611 9.923 1.865 1050 HB3 ASP 90 1HB ASP 90 -7.668 8.638 2.444 1051 H ALA 91 H ALA 91 -4.999 8.247 0.067 1052 HA ALA 91 HA ALA 91 -6.688 6.227 -0.904 1053 HB1 ALA 91 1HB ALA 91 -5.718 7.981 -2.325 1054 HB2 ALA 91 2HB ALA 91 -5.402 6.369 -2.965 1055 HB3 ALA 91 3HB ALA 91 -4.126 7.251 -2.127 1056 H VAL 92 H VAL 92 -3.253 6.179 -0.002 1057 HA VAL 92 HA VAL 92 -2.893 3.405 -0.631 1058 HB VAL 92 HB VAL 92 -1.234 5.144 1.212 1059 HG11 VAL 92 1HG1 VAL 92 -0.813 2.761 1.498 1060 HG12 VAL 92 2HG1 VAL 92 0.565 3.557 0.738 1061 HG13 VAL 92 3HG1 VAL 92 -0.544 2.590 -0.236 1062 HG21 VAL 92 1HG2 VAL 92 -1.410 6.137 -1.008 1063 HG22 VAL 92 2HG2 VAL 92 -0.880 4.618 -1.733 1064 HG23 VAL 92 3HG2 VAL 92 0.219 5.535 -0.701 1065 H LYS 93 H LYS 93 -3.671 5.292 2.166 1066 HA LYS 93 HA LYS 93 -3.380 3.362 4.170 1067 HB2 LYS 93 2HB LYS 93 -3.482 5.476 5.010 1068 HB3 LYS 93 1HB LYS 93 -4.653 6.008 3.821 1069 HG2 LYS 93 2HG LYS 93 -6.409 4.800 5.065 1070 HG3 LYS 93 1HG LYS 93 -5.209 4.408 6.302 1071 HD2 LYS 93 2HD LYS 93 -4.982 6.617 6.964 1072 HD3 LYS 93 1HD LYS 93 -5.619 7.242 5.441 1073 HE2 LYS 93 2HE LYS 93 -7.372 5.595 7.187 1074 HE3 LYS 93 1HE LYS 93 -7.061 7.275 7.622 1075 HZ1 LYS 93 1HZ LYS 93 -8.240 6.298 5.063 1076 HZ2 LYS 93 2HZ LYS 93 -7.843 7.922 5.392 1077 HZ3 LYS 93 3HZ LYS 93 -9.042 7.143 6.295 1078 H ASP 94 H ASP 94 -6.322 4.513 2.522 1079 HA ASP 94 HA ASP 94 -8.038 2.629 3.742 1080 HB2 ASP 94 2HB ASP 94 -8.249 4.597 1.536 1081 HB3 ASP 94 1HB ASP 94 -9.425 3.290 1.547 1082 H LEU 95 H LEU 95 -6.224 2.581 0.747 1083 HA LEU 95 HA LEU 95 -7.484 0.201 -0.236 1084 HB2 LEU 95 2HB LEU 95 -6.155 2.017 -1.552 1085 HB3 LEU 95 1HB LEU 95 -4.743 1.091 -1.077 1086 HG LEU 95 HG LEU 95 -5.605 -0.878 -2.229 1087 HD11 LEU 95 1HD1 LEU 95 -8.007 -0.392 -1.855 1088 HD12 LEU 95 2HD1 LEU 95 -7.631 -0.829 -3.522 1089 HD13 LEU 95 3HD1 LEU 95 -7.911 0.859 -3.095 1090 HD21 LEU 95 1HD2 LEU 95 -5.488 -0.032 -4.535 1091 HD22 LEU 95 2HD2 LEU 95 -4.231 0.652 -3.505 1092 HD23 LEU 95 3HD2 LEU 95 -5.649 1.614 -3.924 1093 H LEU 96 H LEU 96 -4.828 0.924 1.894 1094 HA LEU 96 HA LEU 96 -3.703 -1.687 1.799 1095 HB2 LEU 96 2HB LEU 96 -3.366 0.696 3.528 1096 HB3 LEU 96 1HB LEU 96 -2.885 -0.856 4.193 1097 HG LEU 96 HG LEU 96 -1.856 0.351 1.624 1098 HD11 LEU 96 1HD1 LEU 96 -0.525 -0.016 4.299 1099 HD12 LEU 96 2HD1 LEU 96 -1.056 1.516 3.607 1100 HD13 LEU 96 3HD1 LEU 96 0.240 0.602 2.835 1101 HD21 LEU 96 1HD2 LEU 96 -1.040 -2.166 3.065 1102 HD22 LEU 96 2HD2 LEU 96 -0.263 -1.493 1.634 1103 HD23 LEU 96 3HD2 LEU 96 -1.921 -2.084 1.540 1104 H GLN 97 H GLN 97 -5.765 -0.059 4.316 1105 HA GLN 97 HA GLN 97 -6.333 -2.343 5.772 1106 HB2 GLN 97 2HB GLN 97 -8.689 -1.097 6.010 1107 HB3 GLN 97 1HB GLN 97 -7.235 -0.533 6.826 1108 HG2 GLN 97 2HG GLN 97 -6.984 0.808 4.562 1109 HG3 GLN 97 1HG GLN 97 -8.733 0.601 4.558 1110 HE21 GLN 97 1HE2 GLN 97 -7.094 0.736 7.557 1111 HE22 GLN 97 2HE2 GLN 97 -7.567 2.342 7.987 1112 H GLN 98 H GLN 98 -7.270 -1.558 2.598 1113 HA GLN 98 HA GLN 98 -9.501 -3.361 2.458 1114 HB2 GLN 98 2HB GLN 98 -8.058 -1.540 0.609 1115 HB3 GLN 98 1HB GLN 98 -8.944 -2.870 -0.117 1116 HG2 GLN 98 2HG GLN 98 -9.918 -0.393 0.874 1117 HG3 GLN 98 1HG GLN 98 -10.789 -1.675 0.033 1118 HE21 GLN 98 1HE2 GLN 98 -11.728 -3.352 1.258 1119 HE22 GLN 98 2HE2 GLN 98 -12.165 -3.084 2.919 1120 H LEU 99 H LEU 99 -6.244 -3.330 1.001 1121 HA LEU 99 HA LEU 99 -6.554 -6.038 0.065 1122 HB2 LEU 99 2HB LEU 99 -4.228 -4.138 -0.052 1123 HB3 LEU 99 1HB LEU 99 -4.277 -5.708 -0.835 1124 HG LEU 99 HG LEU 99 -6.398 -3.686 -1.424 1125 HD11 LEU 99 1HD1 LEU 99 -4.299 -2.492 -1.738 1126 HD12 LEU 99 2HD1 LEU 99 -5.047 -2.858 -3.292 1127 HD13 LEU 99 3HD1 LEU 99 -3.680 -3.817 -2.726 1128 HD21 LEU 99 1HD2 LEU 99 -5.132 -5.915 -3.003 1129 HD22 LEU 99 2HD2 LEU 99 -6.424 -4.860 -3.574 1130 HD23 LEU 99 3HD2 LEU 99 -6.711 -5.953 -2.219 1131 H LEU 100 H LEU 100 -4.731 -4.445 2.631 1132 HA LEU 100 HA LEU 100 -2.854 -6.331 3.257 1133 HB2 LEU 100 2HB LEU 100 -4.331 -4.357 4.932 1134 HB3 LEU 100 1HB LEU 100 -3.249 -5.502 5.704 1135 HG LEU 100 HG LEU 100 -2.455 -3.584 3.517 1136 HD11 LEU 100 1HD1 LEU 100 -1.211 -2.386 5.266 1137 HD12 LEU 100 2HD1 LEU 100 -1.888 -3.464 6.486 1138 HD13 LEU 100 3HD1 LEU 100 -2.945 -2.374 5.588 1139 HD21 LEU 100 1HD2 LEU 100 -1.172 -5.649 3.518 1140 HD22 LEU 100 2HD2 LEU 100 -0.801 -5.423 5.227 1141 HD23 LEU 100 3HD2 LEU 100 -0.185 -4.280 4.034 1142 HA PRO 101 HA PRO 101 -5.792 -8.718 6.235 1143 HB2 PRO 101 2HB PRO 101 -8.470 -8.428 5.932 1144 HB3 PRO 101 1HB PRO 101 -7.508 -7.424 7.023 1145 HG2 PRO 101 2HG PRO 101 -8.474 -6.822 4.254 1146 HG3 PRO 101 1HG PRO 101 -8.487 -5.785 5.693 1147 HD2 PRO 101 2HD PRO 101 -6.608 -5.551 3.773 1148 HD3 PRO 101 1HD PRO 101 -6.250 -5.253 5.486 1149 H LYS 102 H LYS 102 -6.747 -8.217 2.887 1150 HA LYS 102 HA LYS 102 -8.150 -10.644 2.514 1151 HB2 LYS 102 2HB LYS 102 -6.553 -9.088 0.473 1152 HB3 LYS 102 1HB LYS 102 -7.753 -10.320 0.117 1153 HG2 LYS 102 2HG LYS 102 -9.398 -8.816 1.354 1154 HG3 LYS 102 1HG LYS 102 -8.161 -7.565 1.206 1155 HD2 LYS 102 2HD LYS 102 -8.146 -8.232 -1.300 1156 HD3 LYS 102 1HD LYS 102 -9.715 -8.956 -0.942 1157 HE2 LYS 102 2HE LYS 102 -8.971 -6.089 -0.396 1158 HE3 LYS 102 1HE LYS 102 -9.865 -6.642 -1.810 1159 HZ1 LYS 102 1HZ LYS 102 -11.253 -5.756 0.063 1160 HZ2 LYS 102 2HZ LYS 102 -10.794 -7.118 0.977 1161 HZ3 LYS 102 3HZ LYS 102 -11.667 -7.312 -0.459 1162 H PHE 103 H PHE 103 -4.833 -9.757 1.688 1163 HA PHE 103 HA PHE 103 -4.130 -12.436 0.981 1164 HB2 PHE 103 2HB PHE 103 -2.305 -10.066 1.419 1165 HB3 PHE 103 1HB PHE 103 -1.964 -11.512 0.466 1166 HD1 PHE 103 1HD PHE 103 -3.859 -12.010 -1.372 1167 HD2 PHE 103 2HD PHE 103 -2.938 -8.187 0.251 1168 HE1 PHE 103 1HE PHE 103 -4.899 -10.931 -3.326 1169 HE2 PHE 103 2HE PHE 103 -3.971 -7.105 -1.701 1170 HZ PHE 103 HZ PHE 103 -4.950 -8.480 -3.494 1171 H LYS 104 H LYS 104 -4.005 -10.498 3.837 1172 HA LYS 104 HA LYS 104 -2.132 -12.090 5.277 1173 HB2 LYS 104 2HB LYS 104 -2.568 -9.873 6.078 1174 HB3 LYS 104 1HB LYS 104 -4.299 -10.164 6.134 1175 HG2 LYS 104 2HG LYS 104 -3.867 -11.854 7.925 1176 HG3 LYS 104 1HG LYS 104 -2.190 -11.307 7.945 1177 HD2 LYS 104 2HD LYS 104 -4.509 -9.427 8.315 1178 HD3 LYS 104 1HD LYS 104 -3.757 -10.278 9.665 1179 HE2 LYS 104 2HE LYS 104 -2.653 -8.237 9.646 1180 HE3 LYS 104 1HE LYS 104 -1.550 -9.296 8.772 1181 HZ1 LYS 104 1HZ LYS 104 -1.637 -7.400 7.476 1182 HZ2 LYS 104 2HZ LYS 104 -3.301 -7.160 7.716 1183 HZ3 LYS 104 3HZ LYS 104 -2.757 -8.406 6.705 1184 H ARG 105 H ARG 105 -2.468 -14.086 6.110 1185 HA ARG 105 HA ARG 105 -5.039 -15.285 5.763 1186 HB2 ARG 105 2HB ARG 105 -2.422 -16.304 6.809 1187 HB3 ARG 105 1HB ARG 105 -3.889 -17.270 6.915 1188 HG2 ARG 105 2HG ARG 105 -2.672 -16.181 4.382 1189 HG3 ARG 105 1HG ARG 105 -2.587 -17.852 4.942 1190 HD2 ARG 105 2HD ARG 105 -4.312 -17.830 3.343 1191 HD3 ARG 105 1HD ARG 105 -5.131 -17.837 4.901 1192 HE ARG 105 HE ARG 105 -4.726 -15.303 3.454 1193 HH11 ARG 105 1HH1 ARG 105 -6.866 -17.703 4.839 1194 HH12 ARG 105 2HH1 ARG 105 -8.299 -16.726 4.660 1195 HH21 ARG 105 1HH2 ARG 105 -6.628 -13.996 3.242 1196 HH22 ARG 105 2HH2 ARG 105 -8.154 -14.635 3.789 1197 H LYS 106 H LYS 106 -6.485 -14.378 6.994 1198 HA LYS 106 HA LYS 106 -6.153 -14.466 9.915 1199 HB2 LYS 106 2HB LYS 106 -7.991 -12.781 9.940 1200 HB3 LYS 106 1HB LYS 106 -6.572 -12.220 9.064 1201 HG2 LYS 106 2HG LYS 106 -7.680 -12.833 6.942 1202 HG3 LYS 106 1HG LYS 106 -9.116 -13.290 7.857 1203 HD2 LYS 106 2HD LYS 106 -9.140 -10.939 8.768 1204 HD3 LYS 106 1HD LYS 106 -7.890 -10.552 7.585 1205 HE2 LYS 106 2HE LYS 106 -10.674 -11.561 7.004 1206 HE3 LYS 106 1HE LYS 106 -10.069 -9.931 6.722 1207 HZ1 LYS 106 1HZ LYS 106 -9.536 -12.402 5.227 1208 HZ2 LYS 106 2HZ LYS 106 -8.322 -11.218 5.287 1209 HZ3 LYS 106 3HZ LYS 106 -9.845 -10.829 4.650 1210 H ALA 107 H ALA 107 -9.021 -14.166 10.322 1211 HA ALA 107 HA ALA 107 -9.790 -16.941 10.037 1212 HB1 ALA 107 1HB ALA 107 -11.228 -14.605 11.301 1213 HB2 ALA 107 2HB ALA 107 -10.239 -15.803 12.136 1214 HB3 ALA 107 3HB ALA 107 -11.754 -16.287 11.374 1215 H ASN 108 H ASN 108 -9.506 -15.390 7.644 1216 HA ASN 108 HA ASN 108 -11.810 -16.134 6.218 1217 HB2 ASN 108 2HB ASN 108 -12.682 -14.056 7.378 1218 HB3 ASN 108 1HB ASN 108 -11.470 -13.136 6.493 1219 HD21 ASN 108 1HD2 ASN 108 -11.587 -13.193 4.142 1220 HD22 ASN 108 2HD2 ASN 108 -13.133 -13.355 3.387 Start of MODEL 16 1 H ARG 390 2HT ARG 390 11.056 15.251 -5.303 2 HA ARG 390 HA ARG 390 13.321 15.840 -4.857 3 HB2 ARG 390 2HB ARG 390 14.009 15.240 -7.264 4 HB3 ARG 390 1HB ARG 390 13.477 16.859 -7.692 5 HG2 ARG 390 2HG ARG 390 15.798 17.009 -7.378 6 HG3 ARG 390 1HG ARG 390 15.079 17.709 -5.926 7 HD2 ARG 390 2HD ARG 390 15.532 15.750 -4.658 8 HD3 ARG 390 1HD ARG 390 15.965 14.836 -6.101 9 HE ARG 390 HE ARG 390 17.586 17.169 -5.342 10 HH11 ARG 390 1HH1 ARG 390 17.274 13.700 -5.697 11 HH12 ARG 390 2HH1 ARG 390 18.973 13.401 -5.574 12 HH21 ARG 390 1HH2 ARG 390 19.836 16.782 -5.168 13 HH22 ARG 390 2HH2 ARG 390 20.433 15.159 -5.270 14 H ARG 391 H ARG 391 13.042 17.552 -3.627 15 HA ARG 391 HA ARG 391 11.109 19.593 -4.305 16 HB2 ARG 391 2HB ARG 391 12.425 18.608 -1.930 17 HB3 ARG 391 1HB ARG 391 12.522 20.361 -1.996 18 HG2 ARG 391 2HG ARG 391 10.571 19.601 -0.743 19 HG3 ARG 391 1HG ARG 391 10.109 20.518 -2.176 20 HD2 ARG 391 2HD ARG 391 8.795 18.390 -1.663 21 HD3 ARG 391 1HD ARG 391 9.386 18.600 -3.310 22 HE ARG 391 HE ARG 391 11.255 17.138 -1.738 23 HH11 ARG 391 1HH1 ARG 391 8.121 16.762 -3.258 24 HH12 ARG 391 2HH1 ARG 391 8.372 15.088 -3.634 25 HH21 ARG 391 1HH2 ARG 391 11.602 14.980 -2.263 26 HH22 ARG 391 2HH2 ARG 391 10.382 14.060 -3.103 27 H ARG 392 H ARG 392 13.123 19.634 -6.161 28 HA ARG 392 HA ARG 392 14.344 21.112 -7.362 29 HB2 ARG 392 2HB ARG 392 12.845 22.862 -6.471 30 HB3 ARG 392 1HB ARG 392 13.919 23.060 -5.094 31 HG2 ARG 392 2HG ARG 392 15.496 23.300 -7.428 32 HG3 ARG 392 1HG ARG 392 14.052 24.287 -7.656 33 HD2 ARG 392 2HD ARG 392 15.396 25.794 -6.583 34 HD3 ARG 392 1HD ARG 392 14.593 25.056 -5.199 35 HE ARG 392 HE ARG 392 17.335 24.386 -6.113 36 HH11 ARG 392 1HH1 ARG 392 14.902 24.606 -3.596 37 HH12 ARG 392 2HH1 ARG 392 16.009 24.254 -2.314 38 HH21 ARG 392 1HH2 ARG 392 18.805 23.935 -4.439 39 HH22 ARG 392 2HH2 ARG 392 18.242 23.890 -2.792 40 H THR 393 H THR 393 15.174 20.838 -3.957 41 HA THR 393 HA THR 393 17.697 21.808 -3.810 42 HB THR 393 HB THR 393 17.138 19.136 -2.583 43 HG1 THR 393 1HG THR 393 15.581 19.972 -1.337 44 HG21 THR 393 1HG2 THR 393 18.389 21.693 -1.572 45 HG22 THR 393 2HG2 THR 393 19.259 20.250 -2.090 46 HG23 THR 393 3HG2 THR 393 18.234 20.195 -0.655 47 H GLU 394 H GLU 394 19.451 21.559 -4.893 48 HA GLU 394 HA GLU 394 19.854 19.380 -6.721 49 HB2 GLU 394 2HB GLU 394 21.820 21.564 -6.038 50 HB3 GLU 394 1HB GLU 394 21.713 20.634 -7.525 51 HG2 GLU 394 2HG GLU 394 20.868 22.727 -8.089 52 HG3 GLU 394 1HG GLU 394 19.432 21.735 -7.847 53 H ALA 395 H ALA 395 21.931 20.774 -4.183 54 HA ALA 395 HA ALA 395 23.731 18.621 -4.064 55 HB1 ALA 395 1HB ALA 395 23.057 20.673 -1.979 56 HB2 ALA 395 2HB ALA 395 24.329 20.775 -3.198 57 HB3 ALA 395 3HB ALA 395 24.433 19.572 -1.909 58 H LEU 396 H LEU 396 21.525 19.559 -1.445 59 HA LEU 396 HA LEU 396 21.669 17.150 -0.069 60 HB2 LEU 396 2HB LEU 396 19.313 19.040 -0.160 61 HB3 LEU 396 1HB LEU 396 19.623 17.837 1.076 62 HG LEU 396 HG LEU 396 21.309 20.283 0.534 63 HD11 LEU 396 1HD1 LEU 396 20.486 21.043 2.700 64 HD12 LEU 396 2HD1 LEU 396 19.469 19.608 2.825 65 HD13 LEU 396 3HD1 LEU 396 19.160 20.802 1.563 66 HD21 LEU 396 1HD2 LEU 396 21.563 18.167 2.669 67 HD22 LEU 396 2HD2 LEU 396 22.522 19.643 2.555 68 HD23 LEU 396 3HD2 LEU 396 22.659 18.405 1.308 69 H GLY 397 H GLY 397 20.358 15.338 -0.036 70 HA2 GLY 397 2HA GLY 397 19.625 14.336 -2.508 71 HA3 GLY 397 1HA GLY 397 19.119 13.666 -0.965 72 H ASP 398 H ASP 398 17.775 16.277 -0.332 73 HA ASP 398 HA ASP 398 15.824 16.932 -2.180 74 HB2 ASP 398 2HB ASP 398 15.110 14.537 -1.738 75 HB3 ASP 398 1HB ASP 398 14.709 15.067 -0.105 76 H ALA 399 H ALA 399 16.412 16.279 1.073 77 HA ALA 399 HA ALA 399 16.375 18.918 2.024 78 HB1 ALA 399 1HB ALA 399 13.912 17.296 2.686 79 HB2 ALA 399 2HB ALA 399 13.951 18.754 1.696 80 HB3 ALA 399 3HB ALA 399 14.351 18.842 3.411 81 H GLU 400 H GLU 400 17.172 18.939 4.173 82 HA GLU 400 HA GLU 400 17.993 16.280 5.067 83 HB2 GLU 400 2HB GLU 400 19.398 18.709 4.763 84 HB3 GLU 400 1HB GLU 400 19.365 18.340 6.483 85 HG2 GLU 400 2HG GLU 400 21.309 17.432 5.098 86 HG3 GLU 400 1HG GLU 400 20.495 16.330 6.204 87 H GLU 401 H GLU 401 15.372 17.080 5.686 88 HA GLU 401 HA GLU 401 15.520 17.642 8.550 89 HB2 GLU 401 2HB GLU 401 12.844 17.471 8.039 90 HB3 GLU 401 1HB GLU 401 13.764 18.967 8.025 91 HG2 GLU 401 2HG GLU 401 12.418 18.887 6.062 92 HG3 GLU 401 1HG GLU 401 14.100 18.678 5.585 93 H ASP 402 H ASP 402 15.251 15.282 6.346 94 HA ASP 402 HA ASP 402 15.060 13.035 6.345 95 HB2 ASP 402 2HB ASP 402 16.346 13.568 8.679 96 HB3 ASP 402 1HB ASP 402 14.947 12.668 9.261 97 H GLU 403 H GLU 403 13.721 11.169 7.103 98 HA GLU 403 HA GLU 403 10.940 12.011 7.100 99 HB2 GLU 403 2HB GLU 403 12.437 9.539 6.477 100 HB3 GLU 403 1HB GLU 403 10.832 9.307 7.155 101 HG2 GLU 403 2HG GLU 403 10.939 9.313 4.667 102 HG3 GLU 403 1HG GLU 403 9.811 10.472 5.366 103 H ASP 404 H ASP 404 9.660 12.050 8.859 104 HA ASP 404 HA ASP 404 10.712 11.490 11.427 105 HB2 ASP 404 2HB ASP 404 8.689 13.029 10.641 106 HB3 ASP 404 1HB ASP 404 7.758 11.568 10.947 107 H ASP 405 H ASP 405 10.795 9.599 12.469 108 HA ASP 405 HA ASP 405 9.495 7.306 11.180 109 HB2 ASP 405 2HB ASP 405 11.814 7.389 13.127 110 HB3 ASP 405 1HB ASP 405 11.129 5.921 12.440 111 H GLU 406 H GLU 406 8.730 9.395 13.450 112 HA GLU 406 HA GLU 406 7.418 7.361 15.112 113 HB2 GLU 406 2HB GLU 406 9.224 8.335 16.411 114 HB3 GLU 406 1HB GLU 406 8.708 9.957 15.982 115 HG2 GLU 406 2HG GLU 406 8.084 9.497 18.245 116 HG3 GLU 406 1HG GLU 406 6.633 9.607 17.252 117 H ASP 407 H ASP 407 5.470 8.240 16.242 118 HA ASP 407 HA ASP 407 3.480 9.217 16.278 119 HB2 ASP 407 2HB ASP 407 4.753 11.282 16.516 120 HB3 ASP 407 1HB ASP 407 4.768 11.458 14.769 121 H PHE 408 H PHE 408 3.261 7.289 14.862 122 HA PHE 408 HA PHE 408 1.789 8.119 12.453 123 HB2 PHE 408 2HB PHE 408 3.464 5.611 12.822 124 HB3 PHE 408 1HB PHE 408 2.298 5.819 11.538 125 HD1 PHE 408 1HD PHE 408 5.222 7.635 12.986 126 HD2 PHE 408 2HD PHE 408 3.076 6.450 9.516 127 HE1 PHE 408 1HE PHE 408 6.919 8.702 11.571 128 HE2 PHE 408 2HE PHE 408 4.767 7.517 8.098 129 HZ PHE 408 HZ PHE 408 6.681 8.651 9.130 130 H VAL 409 H VAL 409 -0.221 7.589 12.517 131 HA VAL 409 HA VAL 409 -1.180 6.153 14.824 132 HB VAL 409 HB VAL 409 -3.431 6.952 13.868 133 HG11 VAL 409 1HG1 VAL 409 -2.960 9.171 14.712 134 HG12 VAL 409 2HG1 VAL 409 -1.232 8.861 14.521 135 HG13 VAL 409 3HG1 VAL 409 -2.171 7.935 15.694 136 HG21 VAL 409 1HG2 VAL 409 -2.758 7.394 11.599 137 HG22 VAL 409 2HG2 VAL 409 -1.556 8.548 12.175 138 HG23 VAL 409 3HG2 VAL 409 -3.275 8.877 12.398 139 H GLU 410 H GLU 410 -1.615 4.146 14.814 140 HA GLU 410 HA GLU 410 -1.073 2.523 12.636 141 HB2 GLU 410 2HB GLU 410 -1.105 1.971 15.159 142 HB3 GLU 410 1HB GLU 410 -2.814 1.635 14.923 143 HG2 GLU 410 2HG GLU 410 -2.424 -0.283 13.805 144 HG3 GLU 410 1HG GLU 410 -0.969 0.340 13.028 145 H VAL 411 H VAL 411 -2.113 2.259 10.906 146 HA VAL 411 HA VAL 411 -4.932 2.862 10.672 147 HB VAL 411 HB VAL 411 -3.102 1.924 8.440 148 HG11 VAL 411 1HG1 VAL 411 -4.677 3.281 7.099 149 HG12 VAL 411 2HG1 VAL 411 -5.615 3.596 8.560 150 HG13 VAL 411 3HG1 VAL 411 -5.476 1.951 7.938 151 HG21 VAL 411 1HG2 VAL 411 -2.617 4.196 7.957 152 HG22 VAL 411 2HG2 VAL 411 -2.042 3.755 9.567 153 HG23 VAL 411 3HG2 VAL 411 -3.511 4.718 9.386 154 HA PRO 412 HA PRO 412 -5.662 -1.520 11.439 155 HB2 PRO 412 2HB PRO 412 -8.341 -1.317 11.602 156 HB3 PRO 412 1HB PRO 412 -7.282 -0.738 12.897 157 HG2 PRO 412 2HG PRO 412 -8.549 0.824 10.661 158 HG3 PRO 412 1HG PRO 412 -8.534 1.191 12.399 159 HD2 PRO 412 2HD PRO 412 -6.813 2.355 10.704 160 HD3 PRO 412 1HD PRO 412 -6.330 1.907 12.354 161 H GLU 413 H GLU 413 -7.159 -3.161 10.477 162 HA GLU 413 HA GLU 413 -7.167 -2.894 7.581 163 HB2 GLU 413 2HB GLU 413 -7.945 -5.312 9.216 164 HB3 GLU 413 1HB GLU 413 -7.462 -5.270 7.527 165 HG2 GLU 413 2HG GLU 413 -5.606 -4.459 9.739 166 HG3 GLU 413 1HG GLU 413 -5.768 -6.132 9.208 167 H LYS 414 H LYS 414 -9.053 -3.299 6.309 168 HA LYS 414 HA LYS 414 -11.563 -2.976 7.800 169 HB2 LYS 414 2HB LYS 414 -10.546 -1.516 5.441 170 HB3 LYS 414 1HB LYS 414 -12.267 -1.887 5.476 171 HG2 LYS 414 2HG LYS 414 -12.673 -0.334 7.016 172 HG3 LYS 414 1HG LYS 414 -11.309 -0.848 8.009 173 HD2 LYS 414 2HD LYS 414 -10.564 1.225 7.451 174 HD3 LYS 414 1HD LYS 414 -9.952 0.335 6.057 175 HE2 LYS 414 2HE LYS 414 -11.555 1.160 4.645 176 HE3 LYS 414 1HE LYS 414 -12.697 1.481 5.949 177 HZ1 LYS 414 1HZ LYS 414 -11.750 3.488 6.400 178 HZ2 LYS 414 2HZ LYS 414 -11.370 3.411 4.751 179 HZ3 LYS 414 3HZ LYS 414 -10.201 3.013 5.912 180 H GLU 415 H GLU 415 -10.109 -4.232 4.841 181 HA GLU 415 HA GLU 415 -10.511 -6.071 3.603 182 HB2 GLU 415 2HB GLU 415 -10.548 -7.297 5.695 183 HB3 GLU 415 1HB GLU 415 -12.239 -6.890 5.938 184 HG2 GLU 415 2HG GLU 415 -11.655 -9.233 5.090 185 HG3 GLU 415 1HG GLU 415 -12.961 -8.358 4.293 186 H GLY 416 H GLY 416 -13.705 -5.553 5.098 187 HA2 GLY 416 2HA GLY 416 -14.839 -5.605 2.378 188 HA3 GLY 416 1HA GLY 416 -15.712 -6.034 3.840 189 H TYR 417 H TYR 417 -14.091 -3.306 2.276 190 HA TYR 417 HA TYR 417 -16.333 -1.600 3.034 191 HB2 TYR 417 2HB TYR 417 -15.024 -0.971 4.809 192 HB3 TYR 417 1HB TYR 417 -13.527 -1.377 3.990 193 HD1 TYR 417 1HD TYR 417 -15.886 1.247 4.795 194 HD2 TYR 417 2HD TYR 417 -12.520 0.243 2.396 195 HE1 TYR 417 1HE TYR 417 -15.415 3.634 4.457 196 HE2 TYR 417 2HE TYR 417 -12.046 2.621 2.041 197 HH TYR 417 HH TYR 417 -12.477 4.730 2.924 198 H GLU 418 H GLU 418 -16.909 -0.247 1.432 199 HA GLU 418 HA GLU 418 -15.465 -0.361 -1.066 200 HB2 GLU 418 2HB GLU 418 -17.697 1.575 -0.607 201 HB3 GLU 418 1HB GLU 418 -17.319 0.632 -2.039 202 HG2 GLU 418 2HG GLU 418 -19.146 -0.505 -1.384 203 HG3 GLU 418 1HG GLU 418 -17.967 -1.359 -0.389 204 HA PRO 419 HA PRO 419 -12.996 3.280 -0.484 205 HB2 PRO 419 2HB PRO 419 -13.223 3.821 -3.362 206 HB3 PRO 419 1HB PRO 419 -11.802 3.374 -2.416 207 HG2 PRO 419 2HG PRO 419 -12.934 1.669 -4.156 208 HG3 PRO 419 1HG PRO 419 -12.200 1.111 -2.640 209 HD2 PRO 419 2HD PRO 419 -15.096 1.553 -3.294 210 HD3 PRO 419 1HD PRO 419 -14.333 0.204 -2.423 211 H HIS 420 H HIS 420 -15.556 3.830 0.201 212 HA HIS 420 HA HIS 420 -15.803 6.587 -0.078 213 HB2 HIS 420 2HB HIS 420 -18.084 6.539 -1.320 214 HB3 HIS 420 1HB HIS 420 -16.611 6.510 -2.275 215 HD1 HIS 420 1HD HIS 420 -16.302 4.546 -3.841 216 HD2 HIS 420 2HD HIS 420 -19.457 4.020 -1.194 217 HE1 HIS 420 1HE HIS 420 -17.550 2.495 -4.629 218 H ILE 421 H ILE 421 -18.676 6.700 0.179 219 HA ILE 421 HA ILE 421 -18.792 5.780 2.906 220 HB ILE 421 HB ILE 421 -19.789 8.004 1.735 221 HG12 ILE 421 2HG1 ILE 421 -21.041 6.670 4.131 222 HG13 ILE 421 1HG1 ILE 421 -19.454 7.429 4.152 223 HG21 ILE 421 1HG2 ILE 421 -22.131 6.116 1.960 224 HG22 ILE 421 2HG2 ILE 421 -21.513 6.847 0.478 225 HG23 ILE 421 3HG2 ILE 421 -22.246 7.860 1.722 226 HD11 ILE 421 1HD1 ILE 421 -22.030 8.844 3.499 227 HD12 ILE 421 2HD1 ILE 421 -20.433 9.578 3.658 228 HD13 ILE 421 3HD1 ILE 421 -21.224 8.870 5.068 229 HA PRO 422 HA PRO 422 -20.728 1.860 2.431 230 HB2 PRO 422 2HB PRO 422 -22.756 2.332 4.353 231 HB3 PRO 422 1HB PRO 422 -21.205 1.529 4.611 232 HG2 PRO 422 2HG PRO 422 -21.991 4.349 5.133 233 HG3 PRO 422 1HG PRO 422 -20.839 3.319 6.006 234 HD2 PRO 422 2HD PRO 422 -19.982 5.259 4.396 235 HD3 PRO 422 1HD PRO 422 -19.146 3.691 4.448 236 H ASP 423 H ASP 423 -21.777 1.623 0.598 237 HA ASP 423 HA ASP 423 -24.582 2.449 0.452 238 HB2 ASP 423 2HB ASP 423 -23.361 4.237 -0.704 239 HB3 ASP 423 1HB ASP 423 -22.515 3.049 -1.687 240 H HIS 424 H HIS 424 -22.009 1.001 -1.477 241 HA HIS 424 HA HIS 424 -21.927 -0.781 -2.868 242 HB2 HIS 424 2HB HIS 424 -22.576 -2.967 -1.569 243 HB3 HIS 424 1HB HIS 424 -21.173 -2.021 -1.109 244 HD1 HIS 424 1HD HIS 424 -21.365 -0.647 1.152 245 HD2 HIS 424 2HD HIS 424 -24.574 -3.159 0.314 246 HE1 HIS 424 1HE HIS 424 -22.650 -0.923 3.317 247 H LEU 425 H LEU 425 -24.506 0.620 -3.147 248 HA LEU 425 HA LEU 425 -25.882 -1.572 -4.513 249 HB2 LEU 425 2HB LEU 425 -27.092 0.227 -2.434 250 HB3 LEU 425 1HB LEU 425 -28.083 -0.486 -3.692 251 HG LEU 425 HG LEU 425 -26.403 -2.098 -1.771 252 HD11 LEU 425 1HD1 LEU 425 -28.079 -0.928 -0.501 253 HD12 LEU 425 2HD1 LEU 425 -28.553 -2.619 -0.666 254 HD13 LEU 425 3HD1 LEU 425 -29.328 -1.384 -1.658 255 HD21 LEU 425 1HD2 LEU 425 -27.803 -3.954 -2.540 256 HD22 LEU 425 2HD2 LEU 425 -26.898 -3.231 -3.869 257 HD23 LEU 425 3HD2 LEU 425 -28.613 -2.873 -3.672 258 H ARG 426 H ARG 426 -24.250 0.819 -5.203 259 HA ARG 426 HA ARG 426 -26.218 2.122 -6.961 260 HB2 ARG 426 2HB ARG 426 -24.906 4.179 -6.827 261 HB3 ARG 426 1HB ARG 426 -25.473 3.679 -5.241 262 HG2 ARG 426 2HG ARG 426 -23.260 2.792 -4.714 263 HG3 ARG 426 1HG ARG 426 -22.687 3.255 -6.317 264 HD2 ARG 426 2HD ARG 426 -22.340 4.796 -4.166 265 HD3 ARG 426 1HD ARG 426 -22.567 5.464 -5.783 266 HE ARG 426 HE ARG 426 -24.622 5.303 -3.671 267 HH11 ARG 426 1HH1 ARG 426 -23.354 6.708 -6.629 268 HH12 ARG 426 2HH1 ARG 426 -24.760 7.701 -6.906 269 HH21 ARG 426 1HH2 ARG 426 -26.425 6.670 -3.996 270 HH22 ARG 426 2HH2 ARG 426 -26.503 7.698 -5.402 271 HA PRO 427 HA PRO 427 -23.398 0.927 -10.172 272 HB2 PRO 427 2HB PRO 427 -25.044 2.201 -12.122 273 HB3 PRO 427 1HB PRO 427 -25.019 0.488 -11.704 274 HG2 PRO 427 2HG PRO 427 -27.141 2.207 -11.230 275 HG3 PRO 427 1HG PRO 427 -26.874 0.666 -10.399 276 HD2 PRO 427 2HD PRO 427 -26.248 3.448 -9.486 277 HD3 PRO 427 1HD PRO 427 -26.863 2.064 -8.554 278 H GLU 428 H GLU 428 -23.962 3.822 -8.969 279 HA GLU 428 HA GLU 428 -22.832 5.748 -8.855 280 HB2 GLU 428 2HB GLU 428 -20.957 4.064 -10.153 281 HB3 GLU 428 1HB GLU 428 -20.939 5.617 -10.982 282 HG2 GLU 428 2HG GLU 428 -20.155 4.934 -8.212 283 HG3 GLU 428 1HG GLU 428 -19.433 6.072 -9.351 284 H TYR 429 H TYR 429 -22.466 7.756 -10.052 285 HA TYR 429 HA TYR 429 -24.699 8.181 -11.754 286 HB2 TYR 429 2HB TYR 429 -22.430 9.991 -10.919 287 HB3 TYR 429 1HB TYR 429 -23.775 10.531 -11.917 288 HD1 TYR 429 1HD TYR 429 -26.090 10.490 -10.969 289 HD2 TYR 429 2HD TYR 429 -22.650 9.791 -8.569 290 HE1 TYR 429 1HE TYR 429 -27.417 10.931 -8.949 291 HE2 TYR 429 2HE TYR 429 -23.966 10.230 -6.540 292 HH TYR 429 HH TYR 429 -27.163 10.124 -6.390 293 H GLY 430 H GLY 430 -21.710 6.946 -12.426 294 HA2 GLY 430 2HA GLY 430 -21.379 8.174 -15.034 295 HA3 GLY 430 1HA GLY 430 -20.367 6.915 -14.336 296 H LEU 431 H LEU 431 -23.318 5.794 -13.782 297 HA LEU 431 HA LEU 431 -23.697 4.602 -16.439 298 HB2 LEU 431 2HB LEU 431 -23.557 3.114 -13.816 299 HB3 LEU 431 1HB LEU 431 -24.159 2.414 -15.307 300 HG LEU 431 HG LEU 431 -21.356 3.484 -14.975 301 HD11 LEU 431 1HD1 LEU 431 -20.656 1.156 -14.789 302 HD12 LEU 431 2HD1 LEU 431 -22.341 0.638 -14.813 303 HD13 LEU 431 3HD1 LEU 431 -21.734 1.599 -13.466 304 HD21 LEU 431 1HD2 LEU 431 -22.584 1.707 -17.084 305 HD22 LEU 431 2HD2 LEU 431 -20.909 2.259 -17.023 306 HD23 LEU 431 3HD2 LEU 431 -22.212 3.420 -17.279 307 H GLU 432 H GLU 432 -25.005 5.455 -13.302 308 HA GLU 432 HA GLU 432 -27.710 5.353 -14.454 309 HB2 GLU 432 2HB GLU 432 -26.684 3.841 -12.253 310 HB3 GLU 432 1HB GLU 432 -27.873 4.983 -11.640 311 HG2 GLU 432 2HG GLU 432 -28.369 3.079 -13.917 312 HG3 GLU 432 1HG GLU 432 -28.801 2.761 -12.237 313 H ALA 433 H ALA 433 -29.162 6.490 -12.496 314 HA ALA 433 HA ALA 433 -27.899 9.146 -12.184 315 HB1 ALA 433 1HB ALA 433 -30.833 8.480 -12.419 316 HB2 ALA 433 2HB ALA 433 -29.818 9.121 -13.711 317 HB3 ALA 433 3HB ALA 433 -30.138 10.095 -12.277 318 H ALA 434 H ALA 434 -28.211 6.585 -10.425 319 HA ALA 434 HA ALA 434 -29.543 7.702 -8.092 320 HB1 ALA 434 1HB ALA 434 -29.985 5.382 -8.567 321 HB2 ALA 434 2HB ALA 434 -29.055 5.492 -7.071 322 HB3 ALA 434 3HB ALA 434 -28.260 5.015 -8.572 323 H MET 1 2HT MET 1 7.097 -2.043 -15.691 324 HA MET 1 HA MET 1 9.282 -1.522 -16.721 325 HB2 MET 1 2HB MET 1 9.141 -2.460 -13.848 326 HB3 MET 1 1HB MET 1 10.513 -1.578 -14.501 327 HG2 MET 1 2HG MET 1 9.072 -0.070 -13.316 328 HG3 MET 1 1HG MET 1 9.027 0.302 -15.037 329 HE1 MET 1 1HE MET 1 6.822 1.798 -14.526 330 HE2 MET 1 2HE MET 1 6.946 1.332 -12.830 331 HE3 MET 1 3HE MET 1 5.412 1.157 -13.681 332 H ALA 2 H ALA 2 11.707 -2.302 -15.994 333 HA ALA 2 HA ALA 2 11.911 -4.977 -17.164 334 HB1 ALA 2 1HB ALA 2 13.305 -3.195 -18.105 335 HB2 ALA 2 2HB ALA 2 14.295 -4.474 -17.397 336 HB3 ALA 2 3HB ALA 2 14.065 -2.954 -16.530 337 H THR 3 H THR 3 10.844 -4.764 -14.613 338 HA THR 3 HA THR 3 12.743 -6.334 -13.041 339 HB THR 3 HB THR 3 11.551 -5.078 -11.023 340 HG1 THR 3 1HG THR 3 11.754 -2.709 -12.218 341 HG21 THR 3 1HG2 THR 3 13.977 -5.151 -11.420 342 HG22 THR 3 2HG2 THR 3 13.449 -3.564 -10.861 343 HG23 THR 3 3HG2 THR 3 13.820 -3.821 -12.567 344 H SER 4 H SER 4 11.261 -7.051 -10.951 345 HA SER 4 HA SER 4 9.213 -8.684 -12.039 346 HB2 SER 4 2HB SER 4 9.261 -8.208 -9.113 347 HB3 SER 4 1HB SER 4 9.259 -9.729 -10.008 348 HG SER 4 HG SER 4 11.329 -9.787 -9.694 349 H SER 5 H SER 5 7.874 -7.106 -13.045 350 HA SER 5 HA SER 5 6.556 -5.078 -11.516 351 HB2 SER 5 2HB SER 5 5.781 -6.094 -14.253 352 HB3 SER 5 1HB SER 5 5.454 -4.506 -13.559 353 HG SER 5 HG SER 5 8.113 -5.397 -13.848 354 H GLU 6 H GLU 6 4.218 -4.927 -11.315 355 HA GLU 6 HA GLU 6 2.698 -7.397 -11.349 356 HB2 GLU 6 2HB GLU 6 3.979 -7.007 -9.091 357 HB3 GLU 6 1HB GLU 6 2.761 -5.772 -8.821 358 HG2 GLU 6 2HG GLU 6 1.007 -7.415 -8.931 359 HG3 GLU 6 1HG GLU 6 2.172 -8.674 -9.347 360 H GLU 7 H GLU 7 0.362 -6.888 -10.875 361 HA GLU 7 HA GLU 7 -0.536 -4.707 -12.364 362 HB2 GLU 7 2HB GLU 7 -1.905 -6.414 -10.287 363 HB3 GLU 7 1HB GLU 7 -2.752 -5.147 -11.162 364 HG2 GLU 7 2HG GLU 7 -3.202 -7.231 -12.223 365 HG3 GLU 7 1HG GLU 7 -2.160 -6.285 -13.282 366 H VAL 8 H VAL 8 -0.153 -2.644 -11.884 367 HA VAL 8 HA VAL 8 0.116 -1.762 -9.150 368 HB VAL 8 HB VAL 8 0.068 -0.036 -11.632 369 HG11 VAL 8 1HG1 VAL 8 1.339 1.532 -10.249 370 HG12 VAL 8 2HG1 VAL 8 1.229 0.418 -8.885 371 HG13 VAL 8 3HG1 VAL 8 -0.230 1.166 -9.533 372 HG21 VAL 8 1HG2 VAL 8 2.493 -0.177 -11.658 373 HG22 VAL 8 2HG2 VAL 8 1.790 -1.786 -11.828 374 HG23 VAL 8 3HG2 VAL 8 2.466 -1.277 -10.279 375 H LEU 9 H LEU 9 -1.708 -1.659 -8.040 376 HA LEU 9 HA LEU 9 -4.205 -0.894 -9.277 377 HB2 LEU 9 2HB LEU 9 -3.623 -1.463 -6.372 378 HB3 LEU 9 1HB LEU 9 -5.203 -1.385 -7.126 379 HG LEU 9 HG LEU 9 -3.094 -3.469 -7.699 380 HD11 LEU 9 1HD1 LEU 9 -4.604 -5.000 -6.549 381 HD12 LEU 9 2HD1 LEU 9 -5.692 -3.663 -6.182 382 HD13 LEU 9 3HD1 LEU 9 -4.076 -3.703 -5.478 383 HD21 LEU 9 1HD2 LEU 9 -4.866 -4.589 -8.969 384 HD22 LEU 9 2HD2 LEU 9 -4.472 -3.012 -9.652 385 HD23 LEU 9 3HD2 LEU 9 -5.933 -3.213 -8.686 386 H LEU 10 H LEU 10 -1.776 0.540 -7.192 387 HA LEU 10 HA LEU 10 -3.262 3.081 -7.403 388 HB2 LEU 10 2HB LEU 10 -3.541 1.905 -5.162 389 HB3 LEU 10 1HB LEU 10 -1.852 2.276 -4.874 390 HG LEU 10 HG LEU 10 -2.486 4.721 -5.304 391 HD11 LEU 10 1HD1 LEU 10 -4.816 5.303 -4.807 392 HD12 LEU 10 2HD1 LEU 10 -5.237 3.591 -4.823 393 HD13 LEU 10 3HD1 LEU 10 -4.671 4.373 -6.298 394 HD21 LEU 10 1HD2 LEU 10 -3.597 3.303 -2.891 395 HD22 LEU 10 2HD2 LEU 10 -3.218 5.023 -2.997 396 HD23 LEU 10 3HD2 LEU 10 -1.926 3.826 -3.106 397 H ILE 11 H ILE 11 -2.060 4.773 -7.978 398 HA ILE 11 HA ILE 11 0.864 4.448 -7.920 399 HB ILE 11 HB ILE 11 -0.820 5.986 -9.905 400 HG12 ILE 11 2HG1 ILE 11 0.913 3.520 -10.171 401 HG13 ILE 11 1HG1 ILE 11 -0.840 3.591 -10.309 402 HG21 ILE 11 1HG2 ILE 11 1.181 7.243 -9.508 403 HG22 ILE 11 2HG2 ILE 11 1.357 6.410 -11.052 404 HG23 ILE 11 3HG2 ILE 11 2.176 5.791 -9.619 405 HD11 ILE 11 1HD1 ILE 11 1.141 4.858 -12.183 406 HD12 ILE 11 2HD1 ILE 11 -0.614 4.962 -12.322 407 HD13 ILE 11 3HD1 ILE 11 0.193 3.403 -12.486 408 H VAL 12 H VAL 12 1.743 5.636 -6.410 409 HA VAL 12 HA VAL 12 0.570 8.252 -5.716 410 HB VAL 12 HB VAL 12 2.571 6.756 -4.035 411 HG11 VAL 12 1HG1 VAL 12 1.613 8.046 -2.221 412 HG12 VAL 12 2HG1 VAL 12 0.418 8.738 -3.317 413 HG13 VAL 12 3HG1 VAL 12 2.128 9.115 -3.525 414 HG21 VAL 12 1HG2 VAL 12 0.744 5.201 -4.428 415 HG22 VAL 12 2HG2 VAL 12 -0.424 6.428 -3.937 416 HG23 VAL 12 3HG2 VAL 12 0.719 5.782 -2.763 417 H LYS 13 H LYS 13 1.897 10.075 -5.806 418 HA LYS 13 HA LYS 13 4.565 9.552 -6.952 419 HB2 LYS 13 2HB LYS 13 2.469 11.522 -7.669 420 HB3 LYS 13 1HB LYS 13 4.142 12.053 -7.785 421 HG2 LYS 13 2HG LYS 13 2.814 9.785 -9.240 422 HG3 LYS 13 1HG LYS 13 3.560 11.234 -9.919 423 HD2 LYS 13 2HD LYS 13 5.747 10.466 -9.073 424 HD3 LYS 13 1HD LYS 13 4.980 8.993 -8.483 425 HE2 LYS 13 2HE LYS 13 4.366 8.384 -10.755 426 HE3 LYS 13 1HE LYS 13 5.065 9.884 -11.363 427 HZ1 LYS 13 1HZ LYS 13 6.443 7.518 -10.259 428 HZ2 LYS 13 2HZ LYS 13 7.201 9.039 -10.234 429 HZ3 LYS 13 3HZ LYS 13 6.736 8.346 -11.706 430 H LYS 14 H LYS 14 6.184 11.191 -6.587 431 HA LYS 14 HA LYS 14 7.610 12.196 -5.156 432 HB2 LYS 14 2HB LYS 14 5.060 13.663 -5.039 433 HB3 LYS 14 1HB LYS 14 6.255 14.087 -3.818 434 HG2 LYS 14 2HG LYS 14 7.879 14.488 -5.670 435 HG3 LYS 14 1HG LYS 14 6.559 14.226 -6.813 436 HD2 LYS 14 2HD LYS 14 5.583 16.062 -4.939 437 HD3 LYS 14 1HD LYS 14 7.228 16.586 -5.301 438 HE2 LYS 14 2HE LYS 14 6.699 17.201 -7.397 439 HE3 LYS 14 1HE LYS 14 5.660 15.800 -7.650 440 HZ1 LYS 14 1HZ LYS 14 3.947 16.924 -6.314 441 HZ2 LYS 14 2HZ LYS 14 4.353 17.801 -7.702 442 HZ3 LYS 14 3HZ LYS 14 4.938 18.297 -6.190 443 H VAL 15 H VAL 15 7.430 9.970 -4.053 444 HA VAL 15 HA VAL 15 6.602 10.375 -1.247 445 HB VAL 15 HB VAL 15 6.759 7.771 -2.786 446 HG11 VAL 15 1HG1 VAL 15 5.736 6.798 -0.732 447 HG12 VAL 15 2HG1 VAL 15 6.034 8.332 0.087 448 HG13 VAL 15 3HG1 VAL 15 7.389 7.371 -0.506 449 HG21 VAL 15 1HG2 VAL 15 4.830 9.202 -3.362 450 HG22 VAL 15 2HG2 VAL 15 4.360 9.210 -1.662 451 HG23 VAL 15 3HG2 VAL 15 4.354 7.699 -2.571 452 H ARG 16 H ARG 16 8.213 10.375 0.183 453 HA ARG 16 HA ARG 16 10.860 9.504 -0.750 454 HB2 ARG 16 2HB ARG 16 9.920 11.587 1.155 455 HB3 ARG 16 1HB ARG 16 11.476 10.834 1.464 456 HG2 ARG 16 2HG ARG 16 12.317 11.549 -0.653 457 HG3 ARG 16 1HG ARG 16 10.726 12.138 -1.138 458 HD2 ARG 16 2HD ARG 16 12.443 13.848 -0.304 459 HD3 ARG 16 1HD ARG 16 10.805 13.933 0.341 460 HE ARG 16 HE ARG 16 12.198 12.341 2.101 461 HH11 ARG 16 1HH1 ARG 16 12.571 15.601 0.857 462 HH12 ARG 16 2HH1 ARG 16 13.236 16.207 2.347 463 HH21 ARG 16 1HH2 ARG 16 13.076 13.143 4.029 464 HH22 ARG 16 2HH2 ARG 16 13.523 14.829 4.151 465 H GLN 17 H GLN 17 11.916 7.915 0.173 466 HA GLN 17 HA GLN 17 10.856 6.766 2.672 467 HB2 GLN 17 2HB GLN 17 10.846 5.467 0.332 468 HB3 GLN 17 1HB GLN 17 12.505 5.128 0.798 469 HG2 GLN 17 2HG GLN 17 10.180 4.564 2.607 470 HG3 GLN 17 1HG GLN 17 10.752 3.407 1.409 471 HE21 GLN 17 1HE2 GLN 17 13.540 4.119 1.720 472 HE22 GLN 17 2HE2 GLN 17 14.041 3.458 3.236 473 H LYS 18 H LYS 18 12.180 7.565 4.194 474 HA LYS 18 HA LYS 18 14.025 8.225 5.323 475 HB2 LYS 18 2HB LYS 18 14.605 5.601 4.138 476 HB3 LYS 18 1HB LYS 18 15.978 6.449 4.839 477 HG2 LYS 18 2HG LYS 18 13.404 5.787 6.263 478 HG3 LYS 18 1HG LYS 18 14.917 4.895 6.414 479 HD2 LYS 18 2HD LYS 18 15.278 6.241 8.180 480 HD3 LYS 18 1HD LYS 18 15.734 7.435 6.963 481 HE2 LYS 18 2HE LYS 18 13.527 8.382 6.986 482 HE3 LYS 18 1HE LYS 18 12.940 7.100 8.041 483 HZ1 LYS 18 1HZ LYS 18 13.358 9.150 9.251 484 HZ2 LYS 18 2HZ LYS 18 14.985 9.132 8.776 485 HZ3 LYS 18 3HZ LYS 18 14.374 7.912 9.797 486 H LYS 19 H LYS 19 14.023 10.067 3.684 487 HA LYS 19 HA LYS 19 15.196 11.666 2.618 488 HB2 LYS 19 2HB LYS 19 17.312 9.845 3.592 489 HB3 LYS 19 1HB LYS 19 17.764 11.220 2.590 490 HG2 LYS 19 2HG LYS 19 16.043 11.623 4.991 491 HG3 LYS 19 1HG LYS 19 17.774 11.371 5.199 492 HD2 LYS 19 2HD LYS 19 18.121 13.259 3.552 493 HD3 LYS 19 1HD LYS 19 16.390 13.585 3.694 494 HE2 LYS 19 2HE LYS 19 17.662 15.005 5.196 495 HE3 LYS 19 1HE LYS 19 16.644 13.886 6.102 496 HZ1 LYS 19 1HZ LYS 19 18.896 14.089 7.011 497 HZ2 LYS 19 2HZ LYS 19 19.537 13.493 5.562 498 HZ3 LYS 19 3HZ LYS 19 18.542 12.504 6.532 499 H GLN 20 H GLN 20 14.301 9.094 1.191 500 HA GLN 20 HA GLN 20 15.947 9.507 -1.218 501 HB2 GLN 20 2HB GLN 20 14.481 6.990 -0.403 502 HB3 GLN 20 1HB GLN 20 15.428 7.200 -1.870 503 HG2 GLN 20 2HG GLN 20 17.443 7.243 -0.710 504 HG3 GLN 20 1HG GLN 20 16.657 7.587 0.829 505 HE21 GLN 20 1HE2 GLN 20 17.516 5.897 1.933 506 HE22 GLN 20 2HE2 GLN 20 17.139 4.244 1.600 507 H ASP 21 H ASP 21 14.894 10.538 -2.753 508 HA ASP 21 HA ASP 21 12.035 10.867 -2.655 509 HB2 ASP 21 2HB ASP 21 13.494 12.737 -3.271 510 HB3 ASP 21 1HB ASP 21 14.074 11.839 -4.669 511 H GLY 22 H GLY 22 10.541 9.769 -3.765 512 HA2 GLY 22 2HA GLY 22 11.091 8.546 -6.295 513 HA3 GLY 22 1HA GLY 22 10.973 7.368 -4.997 514 H ALA 23 H ALA 23 9.152 6.431 -5.908 515 HA ALA 23 HA ALA 23 6.669 7.880 -5.356 516 HB1 ALA 23 1HB ALA 23 7.090 8.175 -7.747 517 HB2 ALA 23 2HB ALA 23 5.680 7.153 -7.463 518 HB3 ALA 23 3HB ALA 23 7.214 6.426 -7.939 519 H LEU 24 H LEU 24 4.939 6.561 -4.812 520 HA LEU 24 HA LEU 24 5.720 3.821 -4.087 521 HB2 LEU 24 2HB LEU 24 5.012 5.406 -2.277 522 HB3 LEU 24 1HB LEU 24 3.420 5.446 -3.013 523 HG LEU 24 HG LEU 24 3.471 2.878 -2.732 524 HD11 LEU 24 1HD1 LEU 24 4.787 2.129 -0.799 525 HD12 LEU 24 2HD1 LEU 24 5.590 3.699 -0.763 526 HD13 LEU 24 3HD1 LEU 24 5.793 2.636 -2.154 527 HD21 LEU 24 1HD2 LEU 24 2.542 3.076 -0.487 528 HD22 LEU 24 2HD2 LEU 24 1.976 4.388 -1.522 529 HD23 LEU 24 3HD2 LEU 24 3.243 4.686 -0.330 530 H TYR 25 H TYR 25 4.693 2.129 -4.937 531 HA TYR 25 HA TYR 25 2.248 2.648 -6.495 532 HB2 TYR 25 2HB TYR 25 4.436 0.721 -7.293 533 HB3 TYR 25 1HB TYR 25 2.982 1.102 -8.207 534 HD1 TYR 25 1HD TYR 25 6.394 2.012 -7.534 535 HD2 TYR 25 2HD TYR 25 2.726 3.438 -9.151 536 HE1 TYR 25 1HE TYR 25 7.613 3.791 -8.714 537 HE2 TYR 25 2HE TYR 25 3.934 5.221 -10.335 538 HH TYR 25 HH TYR 25 7.402 5.288 -10.515 539 H LEU 26 H LEU 26 0.613 1.626 -5.537 540 HA LEU 26 HA LEU 26 1.051 -0.694 -3.880 541 HB2 LEU 26 2HB LEU 26 -1.494 0.644 -4.803 542 HB3 LEU 26 1HB LEU 26 -1.455 -0.748 -3.740 543 HG LEU 26 HG LEU 26 -0.742 2.086 -3.173 544 HD11 LEU 26 1HD1 LEU 26 -2.928 1.302 -2.533 545 HD12 LEU 26 2HD1 LEU 26 -1.959 1.560 -1.082 546 HD13 LEU 26 3HD1 LEU 26 -2.226 -0.075 -1.686 547 HD21 LEU 26 1HD2 LEU 26 0.360 -0.269 -1.663 548 HD22 LEU 26 2HD2 LEU 26 0.450 1.417 -1.155 549 HD23 LEU 26 3HD2 LEU 26 1.290 0.889 -2.612 550 H MET 27 H MET 27 0.869 -2.787 -4.510 551 HA MET 27 HA MET 27 0.038 -3.194 -7.302 552 HB2 MET 27 2HB MET 27 1.831 -5.144 -5.964 553 HB3 MET 27 1HB MET 27 1.748 -4.623 -7.643 554 HG2 MET 27 2HG MET 27 2.655 -2.386 -6.789 555 HG3 MET 27 1HG MET 27 3.093 -3.284 -5.339 556 HE1 MET 27 1HE MET 27 3.306 -3.584 -9.277 557 HE2 MET 27 2HE MET 27 5.052 -3.377 -9.424 558 HE3 MET 27 3HE MET 27 4.072 -2.107 -8.692 559 H ALA 28 H ALA 28 -0.570 -5.511 -7.715 560 HA ALA 28 HA ALA 28 -2.974 -6.122 -6.649 561 HB1 ALA 28 1HB ALA 28 -2.730 -8.328 -7.624 562 HB2 ALA 28 2HB ALA 28 -0.982 -8.105 -7.721 563 HB3 ALA 28 3HB ALA 28 -2.057 -7.092 -8.687 564 H GLU 29 H GLU 29 0.068 -7.740 -5.598 565 HA GLU 29 HA GLU 29 -1.415 -8.472 -3.146 566 HB2 GLU 29 2HB GLU 29 0.754 -10.102 -4.474 567 HB3 GLU 29 1HB GLU 29 -0.140 -10.540 -3.027 568 HG2 GLU 29 2HG GLU 29 -2.187 -10.219 -4.713 569 HG3 GLU 29 1HG GLU 29 -0.933 -10.677 -5.864 570 H ARG 30 H ARG 30 0.640 -6.251 -3.969 571 HA ARG 30 HA ARG 30 2.017 -6.349 -1.440 572 HB2 ARG 30 2HB ARG 30 4.269 -6.431 -2.237 573 HB3 ARG 30 1HB ARG 30 3.415 -7.827 -2.875 574 HG2 ARG 30 2HG ARG 30 3.074 -6.385 -4.987 575 HG3 ARG 30 1HG ARG 30 4.364 -5.380 -4.318 576 HD2 ARG 30 2HD ARG 30 5.355 -7.925 -4.030 577 HD3 ARG 30 1HD ARG 30 4.490 -8.015 -5.562 578 HE ARG 30 HE ARG 30 6.647 -6.090 -4.972 579 HH11 ARG 30 1HH1 ARG 30 4.800 -8.074 -7.198 580 HH12 ARG 30 2HH1 ARG 30 5.821 -7.697 -8.558 581 HH21 ARG 30 1HH2 ARG 30 7.976 -5.598 -6.757 582 HH22 ARG 30 2HH2 ARG 30 7.626 -6.288 -8.311 583 H ILE 31 H ILE 31 3.636 -4.530 -1.267 584 HA ILE 31 HA ILE 31 2.732 -2.212 -2.822 585 HB ILE 31 HB ILE 31 1.781 -1.805 -0.708 586 HG12 ILE 31 2HG1 ILE 31 4.492 -0.460 -0.621 587 HG13 ILE 31 1HG1 ILE 31 3.106 0.105 -1.549 588 HG21 ILE 31 1HG2 ILE 31 4.361 -2.682 0.573 589 HG22 ILE 31 2HG2 ILE 31 2.874 -3.627 0.488 590 HG23 ILE 31 3HG2 ILE 31 2.914 -2.129 1.418 591 HD11 ILE 31 1HD1 ILE 31 1.860 0.379 0.570 592 HD12 ILE 31 2HD1 ILE 31 3.296 1.396 0.457 593 HD13 ILE 31 3HD1 ILE 31 3.325 -0.064 1.445 594 H ALA 32 H ALA 32 4.350 -1.228 -3.880 595 HA ALA 32 HA ALA 32 7.081 -1.706 -2.901 596 HB1 ALA 32 1HB ALA 32 7.865 -1.940 -5.172 597 HB2 ALA 32 2HB ALA 32 6.234 -1.671 -5.788 598 HB3 ALA 32 3HB ALA 32 6.593 -3.117 -4.846 599 H TRP 33 H TRP 33 8.641 -0.163 -3.452 600 HA TRP 33 HA TRP 33 7.639 2.460 -4.297 601 HB2 TRP 33 2HB TRP 33 7.725 2.537 -1.863 602 HB3 TRP 33 1HB TRP 33 9.358 1.890 -1.867 603 HD1 TRP 33 HD TRP 33 7.416 5.119 -2.435 604 HE1 TRP 33 1HE TRP 33 9.077 7.090 -2.509 605 HE3 TRP 33 3HE TRP 33 11.801 2.491 -2.435 606 HZ2 TRP 33 2HZ TRP 33 11.861 7.470 -2.558 607 HZ3 TRP 33 3HZ TRP 33 13.919 3.738 -2.495 608 HH2 TRP 33 HH TRP 33 13.947 6.177 -2.556 609 H ALA 34 H ALA 34 9.030 3.568 -5.591 610 HA ALA 34 HA ALA 34 11.759 2.555 -5.923 611 HB1 ALA 34 1HB ALA 34 9.847 2.973 -8.222 612 HB2 ALA 34 2HB ALA 34 10.387 1.410 -7.610 613 HB3 ALA 34 3HB ALA 34 11.545 2.516 -8.348 614 HA PRO 35 HA PRO 35 12.741 6.879 -5.906 615 HB2 PRO 35 2HB PRO 35 14.951 6.750 -7.593 616 HB3 PRO 35 1HB PRO 35 14.983 6.473 -5.849 617 HG2 PRO 35 2HG PRO 35 14.914 4.497 -8.084 618 HG3 PRO 35 1HG PRO 35 15.775 4.416 -6.536 619 HD2 PRO 35 2HD PRO 35 13.518 3.026 -6.975 620 HD3 PRO 35 1HD PRO 35 13.891 3.719 -5.383 621 H GLU 36 H GLU 36 12.260 8.629 -7.164 622 HA GLU 36 HA GLU 36 10.615 8.310 -9.372 623 HB2 GLU 36 2HB GLU 36 10.833 10.322 -7.823 624 HB3 GLU 36 1HB GLU 36 12.175 10.826 -8.841 625 HG2 GLU 36 2HG GLU 36 9.941 11.856 -9.361 626 HG3 GLU 36 1HG GLU 36 10.783 11.108 -10.717 627 H GLY 37 H GLY 37 10.838 8.268 -11.490 628 HA2 GLY 37 2HA GLY 37 11.832 8.414 -13.575 629 HA3 GLY 37 1HA GLY 37 13.274 9.061 -12.813 630 H LYS 38 H LYS 38 12.614 6.316 -11.130 631 HA LYS 38 HA LYS 38 14.301 4.712 -12.940 632 HB2 LYS 38 2HB LYS 38 14.257 4.871 -9.936 633 HB3 LYS 38 1HB LYS 38 14.947 3.486 -10.773 634 HG2 LYS 38 2HG LYS 38 16.855 4.620 -10.802 635 HG3 LYS 38 1HG LYS 38 16.115 5.642 -12.035 636 HD2 LYS 38 2HD LYS 38 15.122 6.768 -9.783 637 HD3 LYS 38 1HD LYS 38 16.688 6.201 -9.202 638 HE2 LYS 38 2HE LYS 38 17.059 8.392 -9.980 639 HE3 LYS 38 1HE LYS 38 17.692 7.331 -11.238 640 HZ1 LYS 38 1HZ LYS 38 16.373 9.160 -12.144 641 HZ2 LYS 38 2HZ LYS 38 15.017 8.628 -11.277 642 HZ3 LYS 38 3HZ LYS 38 15.675 7.659 -12.504 643 H ASP 39 H ASP 39 13.855 2.512 -13.185 644 HA ASP 39 HA ASP 39 11.108 1.769 -12.463 645 HB2 ASP 39 2HB ASP 39 11.036 0.415 -14.369 646 HB3 ASP 39 1HB ASP 39 11.997 1.786 -14.909 647 H ARG 40 H ARG 40 13.700 1.604 -10.882 648 HA ARG 40 HA ARG 40 13.741 -1.287 -10.348 649 HB2 ARG 40 2HB ARG 40 15.719 0.553 -9.085 650 HB3 ARG 40 1HB ARG 40 15.924 -1.104 -9.629 651 HG2 ARG 40 2HG ARG 40 15.467 0.887 -11.749 652 HG3 ARG 40 1HG ARG 40 16.987 1.031 -10.866 653 HD2 ARG 40 2HD ARG 40 17.700 -0.462 -12.403 654 HD3 ARG 40 1HD ARG 40 16.956 -1.622 -11.305 655 HE ARG 40 HE ARG 40 15.261 -0.518 -13.413 656 HH11 ARG 40 1HH1 ARG 40 17.264 -3.187 -12.321 657 HH12 ARG 40 2HH1 ARG 40 16.540 -4.329 -13.402 658 HH21 ARG 40 1HH2 ARG 40 14.303 -2.004 -14.805 659 HH22 ARG 40 2HH2 ARG 40 14.846 -3.662 -14.814 660 H PHE 41 H PHE 41 12.413 -1.832 -8.752 661 HA PHE 41 HA PHE 41 11.643 0.070 -6.718 662 HB2 PHE 41 2HB PHE 41 10.925 -2.864 -6.945 663 HB3 PHE 41 1HB PHE 41 10.131 -1.667 -5.931 664 HD1 PHE 41 1HD PHE 41 8.656 0.009 -6.911 665 HD2 PHE 41 2HD PHE 41 10.477 -3.005 -9.299 666 HE1 PHE 41 1HE PHE 41 7.064 0.488 -8.722 667 HE2 PHE 41 2HE PHE 41 8.889 -2.530 -11.117 668 HZ PHE 41 HZ PHE 41 7.180 -0.782 -10.830 669 H THR 42 H THR 42 12.756 0.353 -4.904 670 HA THR 42 HA THR 42 14.735 -1.631 -4.114 671 HB THR 42 HB THR 42 15.075 0.297 -2.293 672 HG1 THR 42 1HG THR 42 14.370 2.242 -2.991 673 HG21 THR 42 1HG2 THR 42 16.749 1.284 -3.769 674 HG22 THR 42 2HG2 THR 42 15.979 0.536 -5.168 675 HG23 THR 42 3HG2 THR 42 16.742 -0.472 -3.938 676 H ILE 43 H ILE 43 11.644 -0.422 -3.188 677 HA ILE 43 HA ILE 43 11.714 -2.073 -0.746 678 HB ILE 43 HB ILE 43 9.933 0.308 -1.293 679 HG12 ILE 43 2HG1 ILE 43 12.299 0.959 -0.955 680 HG13 ILE 43 1HG1 ILE 43 11.260 1.520 0.350 681 HG21 ILE 43 1HG2 ILE 43 8.838 -1.263 0.144 682 HG22 ILE 43 2HG2 ILE 43 9.383 0.101 1.121 683 HG23 ILE 43 3HG2 ILE 43 10.279 -1.417 1.151 684 HD11 ILE 43 1HD1 ILE 43 13.355 0.689 1.221 685 HD12 ILE 43 2HD1 ILE 43 13.089 -0.867 0.435 686 HD13 ILE 43 3HD1 ILE 43 12.024 -0.345 1.740 687 H SER 44 H SER 44 10.413 -3.808 -0.783 688 HA SER 44 HA SER 44 7.920 -3.727 -2.276 689 HB2 SER 44 2HB SER 44 9.710 -4.596 -3.833 690 HB3 SER 44 1HB SER 44 9.923 -5.951 -2.728 691 HG SER 44 HG SER 44 8.053 -6.778 -3.340 692 H HIS 45 H HIS 45 6.607 -4.089 -0.576 693 HA HIS 45 HA HIS 45 7.204 -6.422 1.133 694 HB2 HIS 45 2HB HIS 45 5.761 -3.856 1.801 695 HB3 HIS 45 1HB HIS 45 5.721 -5.281 2.832 696 HD1 HIS 45 1HD HIS 45 8.183 -6.042 3.767 697 HD2 HIS 45 2HD HIS 45 7.826 -2.204 2.234 698 HE1 HIS 45 1HE HIS 45 10.163 -4.745 4.641 699 H MET 46 H MET 46 5.830 -8.049 1.064 700 HA MET 46 HA MET 46 3.481 -7.848 -0.591 701 HB2 MET 46 2HB MET 46 4.156 -10.184 1.202 702 HB3 MET 46 1HB MET 46 3.234 -10.193 -0.292 703 HG2 MET 46 2HG MET 46 6.189 -9.664 -0.090 704 HG3 MET 46 1HG MET 46 5.460 -11.211 -0.512 705 HE1 MET 46 1HE MET 46 4.101 -11.653 -2.759 706 HE2 MET 46 2HE MET 46 3.730 -10.390 -3.932 707 HE3 MET 46 3HE MET 46 3.007 -10.340 -2.324 708 H TYR 47 H TYR 47 1.355 -7.930 0.106 709 HA TYR 47 HA TYR 47 0.716 -6.686 2.531 710 HB2 TYR 47 2HB TYR 47 -1.041 -8.435 0.793 711 HB3 TYR 47 1HB TYR 47 -1.624 -7.389 2.081 712 HD1 TYR 47 1HD TYR 47 -2.141 -7.477 -1.055 713 HD2 TYR 47 2HD TYR 47 0.174 -5.010 1.522 714 HE1 TYR 47 1HE TYR 47 -2.330 -5.629 -2.663 715 HE2 TYR 47 2HE TYR 47 -0.009 -3.153 -0.080 716 HH TYR 47 HH TYR 47 -1.372 -3.615 -3.261 717 H ALA 48 H ALA 48 1.213 -10.004 1.732 718 HA ALA 48 HA ALA 48 -0.047 -11.156 4.011 719 HB1 ALA 48 1HB ALA 48 2.026 -12.358 2.188 720 HB2 ALA 48 2HB ALA 48 0.291 -12.336 1.873 721 HB3 ALA 48 3HB ALA 48 0.922 -13.225 3.258 722 H ASP 49 H ASP 49 2.832 -9.439 3.706 723 HA ASP 49 HA ASP 49 4.011 -10.823 6.025 724 HB2 ASP 49 2HB ASP 49 5.210 -9.457 3.673 725 HB3 ASP 49 1HB ASP 49 6.053 -9.295 5.210 726 H ILE 50 H ILE 50 2.120 -8.280 5.390 727 HA ILE 50 HA ILE 50 3.470 -6.480 7.290 728 HB ILE 50 HB ILE 50 1.138 -5.887 5.457 729 HG12 ILE 50 2HG1 ILE 50 3.996 -4.961 5.156 730 HG13 ILE 50 1HG1 ILE 50 3.377 -6.400 4.352 731 HG21 ILE 50 1HG2 ILE 50 1.229 -4.504 7.486 732 HG22 ILE 50 2HG2 ILE 50 1.541 -3.565 6.025 733 HG23 ILE 50 3HG2 ILE 50 2.879 -4.033 7.076 734 HD11 ILE 50 1HD1 ILE 50 3.381 -4.471 2.875 735 HD12 ILE 50 2HD1 ILE 50 2.331 -3.602 3.995 736 HD13 ILE 50 3HD1 ILE 50 1.741 -5.048 3.172 737 H LYS 51 H LYS 51 2.659 -6.254 9.308 738 HA LYS 51 HA LYS 51 0.417 -7.822 10.163 739 HB2 LYS 51 2HB LYS 51 2.214 -7.531 11.727 740 HB3 LYS 51 1HB LYS 51 2.146 -5.781 11.575 741 HG2 LYS 51 2HG LYS 51 -0.108 -5.830 12.621 742 HG3 LYS 51 1HG LYS 51 0.089 -7.564 12.872 743 HD2 LYS 51 2HD LYS 51 0.868 -6.895 14.887 744 HD3 LYS 51 1HD LYS 51 2.369 -6.682 13.988 745 HE2 LYS 51 2HE LYS 51 2.061 -4.700 15.249 746 HE3 LYS 51 1HE LYS 51 1.656 -4.295 13.583 747 HZ1 LYS 51 1HZ LYS 51 0.007 -3.334 14.992 748 HZ2 LYS 51 2HZ LYS 51 -0.238 -4.796 15.815 749 HZ3 LYS 51 3HZ LYS 51 -0.715 -4.648 14.201 750 H CYS 52 H CYS 52 1.082 -4.384 9.826 751 HA CYS 52 HA CYS 52 -1.593 -3.732 9.111 752 HB2 CYS 52 2HB CYS 52 -2.042 -2.231 11.051 753 HB3 CYS 52 1HB CYS 52 -2.013 -3.933 11.500 754 HG CYS 52 HG CYS 52 -0.762 -2.047 13.385 755 H GLN 53 H GLN 53 -1.681 -1.074 9.420 756 HA GLN 53 HA GLN 53 0.946 -0.156 8.482 757 HB2 GLN 53 2HB GLN 53 -0.530 1.372 6.985 758 HB3 GLN 53 1HB GLN 53 -0.330 -0.302 6.510 759 HG2 GLN 53 2HG GLN 53 -2.463 -0.874 7.090 760 HG3 GLN 53 1HG GLN 53 -2.615 0.438 8.253 761 HE21 GLN 53 1HE2 GLN 53 -4.520 -0.231 6.356 762 HE22 GLN 53 2HE2 GLN 53 -4.676 1.099 5.253 763 H LYS 54 H LYS 54 1.097 2.262 8.758 764 HA LYS 54 HA LYS 54 -0.732 3.390 10.763 765 HB2 LYS 54 2HB LYS 54 2.197 3.926 11.085 766 HB3 LYS 54 1HB LYS 54 0.923 3.965 12.283 767 HG2 LYS 54 2HG LYS 54 1.279 1.289 11.350 768 HG3 LYS 54 1HG LYS 54 2.829 1.967 11.860 769 HD2 LYS 54 2HD LYS 54 0.528 2.529 13.605 770 HD3 LYS 54 1HD LYS 54 1.056 0.849 13.545 771 HE2 LYS 54 2HE LYS 54 3.353 1.613 14.069 772 HE3 LYS 54 1HE LYS 54 2.723 3.251 14.250 773 HZ1 LYS 54 1HZ LYS 54 1.697 2.741 16.191 774 HZ2 LYS 54 2HZ LYS 54 2.958 1.621 16.290 775 HZ3 LYS 54 3HZ LYS 54 1.417 1.122 15.777 776 H ILE 55 H ILE 55 -0.413 5.749 10.858 777 HA ILE 55 HA ILE 55 0.908 6.801 8.422 778 HB ILE 55 HB ILE 55 -1.153 8.400 8.329 779 HG12 ILE 55 2HG1 ILE 55 -2.230 6.076 9.903 780 HG13 ILE 55 1HG1 ILE 55 -2.077 7.736 10.442 781 HG21 ILE 55 1HG2 ILE 55 -2.353 6.914 6.828 782 HG22 ILE 55 2HG2 ILE 55 -1.541 5.513 7.528 783 HG23 ILE 55 3HG2 ILE 55 -0.617 6.697 6.602 784 HD11 ILE 55 1HD1 ILE 55 -3.943 6.699 8.345 785 HD12 ILE 55 2HD1 ILE 55 -3.757 8.395 8.798 786 HD13 ILE 55 3HD1 ILE 55 -4.350 7.225 9.978 787 H SER 56 H SER 56 2.114 8.672 8.878 788 HA SER 56 HA SER 56 2.009 9.660 11.556 789 HB2 SER 56 2HB SER 56 3.599 11.337 10.905 790 HB3 SER 56 1HB SER 56 4.058 9.863 10.061 791 HG SER 56 HG SER 56 3.539 12.228 9.032 792 HA PRO 57 HA PRO 57 -2.027 11.277 10.971 793 HB2 PRO 57 2HB PRO 57 -2.027 12.685 13.343 794 HB3 PRO 57 1HB PRO 57 -2.398 10.966 13.170 795 HG2 PRO 57 2HG PRO 57 0.173 12.279 13.955 796 HG3 PRO 57 1HG PRO 57 -0.613 10.845 14.647 797 HD2 PRO 57 2HD PRO 57 1.428 10.595 12.975 798 HD3 PRO 57 1HD PRO 57 0.045 9.485 12.891 799 H GLU 58 H GLU 58 -3.144 13.307 10.936 800 HA GLU 58 HA GLU 58 -1.816 15.407 9.665 801 HB2 GLU 58 2HB GLU 58 -4.506 15.146 10.988 802 HB3 GLU 58 1HB GLU 58 -3.969 16.697 10.358 803 HG2 GLU 58 2HG GLU 58 -5.152 15.878 8.581 804 HG3 GLU 58 1HG GLU 58 -3.523 15.348 8.178 805 H GLY 59 H GLY 59 -1.059 17.366 10.420 806 HA2 GLY 59 2HA GLY 59 -0.868 18.984 12.253 807 HA3 GLY 59 1HA GLY 59 -0.838 17.609 13.356 808 H LYS 60 H LYS 60 0.841 15.981 11.658 809 HA LYS 60 HA LYS 60 3.408 16.876 12.480 810 HB2 LYS 60 2HB LYS 60 2.377 14.640 10.786 811 HB3 LYS 60 1HB LYS 60 4.063 15.082 10.598 812 HG2 LYS 60 2HG LYS 60 4.124 14.812 13.208 813 HG3 LYS 60 1HG LYS 60 2.676 13.835 12.930 814 HD2 LYS 60 2HD LYS 60 3.811 12.257 11.699 815 HD3 LYS 60 1HD LYS 60 5.096 13.375 11.246 816 HE2 LYS 60 2HE LYS 60 4.701 11.861 13.791 817 HE3 LYS 60 1HE LYS 60 6.122 11.942 12.755 818 HZ1 LYS 60 1HZ LYS 60 5.267 14.428 14.000 819 HZ2 LYS 60 2HZ LYS 60 6.834 13.830 13.713 820 HZ3 LYS 60 3HZ LYS 60 5.921 13.251 15.019 821 H ALA 61 H ALA 61 5.164 17.566 11.067 822 HA ALA 61 HA ALA 61 4.292 19.460 9.114 823 HB1 ALA 61 1HB ALA 61 6.227 19.915 10.525 824 HB2 ALA 61 2HB ALA 61 6.678 19.949 8.819 825 HB3 ALA 61 3HB ALA 61 7.084 18.548 9.811 826 H LYS 62 H LYS 62 4.518 16.234 8.913 827 HA LYS 62 HA LYS 62 4.531 16.267 6.051 828 HB2 LYS 62 2HB LYS 62 6.294 14.308 6.126 829 HB3 LYS 62 1HB LYS 62 6.805 15.985 6.016 830 HG2 LYS 62 2HG LYS 62 6.882 15.827 8.624 831 HG3 LYS 62 1HG LYS 62 6.985 14.094 8.310 832 HD2 LYS 62 2HD LYS 62 8.852 16.239 7.298 833 HD3 LYS 62 1HD LYS 62 9.218 14.983 8.484 834 HE2 LYS 62 2HE LYS 62 8.966 13.267 6.811 835 HE3 LYS 62 1HE LYS 62 8.428 14.453 5.624 836 HZ1 LYS 62 1HZ LYS 62 10.746 13.819 5.312 837 HZ2 LYS 62 2HZ LYS 62 11.123 14.377 6.868 838 HZ3 LYS 62 3HZ LYS 62 10.613 15.472 5.681 839 H ILE 63 H ILE 63 2.956 14.991 5.465 840 HA ILE 63 HA ILE 63 1.788 13.084 7.294 841 HB ILE 63 HB ILE 63 1.030 13.808 4.454 842 HG12 ILE 63 2HG1 ILE 63 -0.878 14.758 6.288 843 HG13 ILE 63 1HG1 ILE 63 0.689 15.183 6.970 844 HG21 ILE 63 1HG2 ILE 63 -1.140 12.814 4.981 845 HG22 ILE 63 2HG2 ILE 63 -0.528 12.320 6.559 846 HG23 ILE 63 3HG2 ILE 63 0.162 11.629 5.090 847 HD11 ILE 63 1HD1 ILE 63 -0.194 16.973 5.593 848 HD12 ILE 63 2HD1 ILE 63 -0.289 15.881 4.212 849 HD13 ILE 63 3HD1 ILE 63 1.282 16.312 4.888 850 H GLN 64 H GLN 64 2.418 10.972 7.397 851 HA GLN 64 HA GLN 64 3.545 9.803 4.911 852 HB2 GLN 64 2HB GLN 64 4.784 9.402 7.630 853 HB3 GLN 64 1HB GLN 64 5.401 8.836 6.088 854 HG2 GLN 64 2HG GLN 64 5.957 11.051 5.414 855 HG3 GLN 64 1HG GLN 64 5.122 11.741 6.804 856 HE21 GLN 64 1HE2 GLN 64 7.042 8.858 7.071 857 HE22 GLN 64 2HE2 GLN 64 8.318 9.556 8.004 858 H LEU 65 H LEU 65 3.917 7.430 5.099 859 HA LEU 65 HA LEU 65 1.840 6.127 6.740 860 HB2 LEU 65 2HB LEU 65 1.434 6.116 4.233 861 HB3 LEU 65 1HB LEU 65 2.874 5.125 4.083 862 HG LEU 65 HG LEU 65 1.555 3.659 5.896 863 HD11 LEU 65 1HD1 LEU 65 -0.804 3.558 5.381 864 HD12 LEU 65 2HD1 LEU 65 -0.633 4.910 4.260 865 HD13 LEU 65 3HD1 LEU 65 -0.360 5.155 5.986 866 HD21 LEU 65 1HD2 LEU 65 2.433 2.873 3.759 867 HD22 LEU 65 2HD2 LEU 65 1.017 3.537 2.942 868 HD23 LEU 65 3HD2 LEU 65 0.831 2.223 4.102 869 H GLN 66 H GLN 66 2.433 4.218 7.760 870 HA GLN 66 HA GLN 66 5.261 3.427 7.550 871 HB2 GLN 66 2HB GLN 66 4.738 4.749 9.603 872 HB3 GLN 66 1HB GLN 66 3.597 3.501 10.068 873 HG2 GLN 66 2HG GLN 66 5.350 1.886 10.286 874 HG3 GLN 66 1HG GLN 66 6.533 3.021 9.638 875 HE21 GLN 66 1HE2 GLN 66 7.282 4.682 10.914 876 HE22 GLN 66 2HE2 GLN 66 7.045 4.720 12.629 877 H LEU 67 H LEU 67 5.484 1.348 7.002 878 HA LEU 67 HA LEU 67 3.179 -0.429 7.277 879 HB2 LEU 67 2HB LEU 67 5.776 -0.649 5.782 880 HB3 LEU 67 1HB LEU 67 4.685 -2.007 5.963 881 HG LEU 67 HG LEU 67 4.186 0.564 4.484 882 HD11 LEU 67 1HD1 LEU 67 4.239 -2.332 3.649 883 HD12 LEU 67 2HD1 LEU 67 5.481 -1.128 3.310 884 HD13 LEU 67 3HD1 LEU 67 3.877 -0.964 2.597 885 HD21 LEU 67 1HD2 LEU 67 2.164 -0.018 5.721 886 HD22 LEU 67 2HD2 LEU 67 2.240 -1.664 5.091 887 HD23 LEU 67 3HD2 LEU 67 1.950 -0.312 3.996 888 H VAL 68 H VAL 68 3.057 -1.396 9.227 889 HA VAL 68 HA VAL 68 5.526 -2.206 10.554 890 HB VAL 68 HB VAL 68 2.655 -2.220 11.503 891 HG11 VAL 68 1HG1 VAL 68 3.804 -4.196 12.385 892 HG12 VAL 68 2HG1 VAL 68 3.505 -3.013 13.657 893 HG13 VAL 68 3HG1 VAL 68 5.120 -3.175 12.967 894 HG21 VAL 68 1HG2 VAL 68 3.463 -0.591 13.110 895 HG22 VAL 68 2HG2 VAL 68 3.811 -0.056 11.465 896 HG23 VAL 68 3HG2 VAL 68 5.096 -0.738 12.463 897 H LEU 69 H LEU 69 6.349 -4.061 9.990 898 HA LEU 69 HA LEU 69 4.758 -6.057 8.696 899 HB2 LEU 69 2HB LEU 69 7.651 -6.147 9.511 900 HB3 LEU 69 1HB LEU 69 6.838 -7.308 8.475 901 HG LEU 69 HG LEU 69 7.837 -4.597 7.866 902 HD11 LEU 69 1HD1 LEU 69 7.536 -7.150 6.319 903 HD12 LEU 69 2HD1 LEU 69 9.004 -6.535 7.079 904 HD13 LEU 69 3HD1 LEU 69 8.295 -5.680 5.708 905 HD21 LEU 69 1HD2 LEU 69 5.475 -4.234 7.513 906 HD22 LEU 69 2HD2 LEU 69 5.390 -5.680 6.506 907 HD23 LEU 69 3HD2 LEU 69 6.342 -4.292 5.979 908 H HIS 70 H HIS 70 5.530 -8.456 9.472 909 HA HIS 70 HA HIS 70 4.074 -8.821 11.891 910 HB2 HIS 70 2HB HIS 70 5.570 -10.762 10.140 911 HB3 HIS 70 1HB HIS 70 4.653 -11.247 11.562 912 HD1 HIS 70 1HD HIS 70 2.110 -9.536 11.164 913 HD2 HIS 70 2HD HIS 70 4.005 -11.662 8.146 914 HE1 HIS 70 1HE HIS 70 0.379 -9.898 9.360 915 H ALA 71 H ALA 71 7.493 -8.488 11.295 916 HA ALA 71 HA ALA 71 8.062 -9.695 13.913 917 HB1 ALA 71 1HB ALA 71 9.413 -10.492 12.043 918 HB2 ALA 71 2HB ALA 71 10.404 -9.672 13.251 919 HB3 ALA 71 3HB ALA 71 9.981 -8.848 11.749 920 H GLY 72 H GLY 72 6.993 -6.867 13.099 921 HA2 GLY 72 2HA GLY 72 7.010 -4.931 14.430 922 HA3 GLY 72 1HA GLY 72 8.499 -5.492 15.183 923 H ASP 73 H ASP 73 8.301 -5.634 11.794 924 HA ASP 73 HA ASP 73 10.452 -3.738 11.482 925 HB2 ASP 73 2HB ASP 73 8.971 -4.960 9.179 926 HB3 ASP 73 1HB ASP 73 10.676 -4.587 9.314 927 H THR 74 H THR 74 10.273 -1.824 10.143 928 HA THR 74 HA THR 74 7.539 -1.021 9.501 929 HB THR 74 HB THR 74 7.969 1.249 10.543 930 HG1 THR 74 1HG THR 74 10.313 0.744 10.789 931 HG21 THR 74 1HG2 THR 74 7.382 0.560 12.811 932 HG22 THR 74 2HG2 THR 74 7.869 -1.094 12.441 933 HG23 THR 74 3HG2 THR 74 6.488 -0.376 11.613 934 H THR 75 H THR 75 7.408 0.016 7.647 935 HA THR 75 HA THR 75 9.846 1.203 6.497 936 HB THR 75 HB THR 75 7.518 0.470 4.774 937 HG1 THR 75 1HG THR 75 8.958 -1.659 4.706 938 HG21 THR 75 1HG2 THR 75 9.300 -0.025 3.169 939 HG22 THR 75 2HG2 THR 75 10.513 0.287 4.410 940 HG23 THR 75 3HG2 THR 75 9.486 1.599 3.832 941 H ASN 76 H ASN 76 9.787 3.374 6.277 942 HA ASN 76 HA ASN 76 7.209 4.709 6.646 943 HB2 ASN 76 2HB ASN 76 10.021 5.461 7.194 944 HB3 ASN 76 1HB ASN 76 8.922 6.758 6.734 945 HD21 ASN 76 1HD2 ASN 76 10.055 6.827 9.162 946 HD22 ASN 76 2HD2 ASN 76 8.863 6.506 10.371 947 H PHE 77 H PHE 77 6.167 5.578 5.057 948 HA PHE 77 HA PHE 77 7.645 6.373 2.633 949 HB2 PHE 77 2HB PHE 77 4.793 5.385 2.879 950 HB3 PHE 77 1HB PHE 77 5.543 5.947 1.388 951 HD1 PHE 77 1HD PHE 77 4.688 3.125 3.198 952 HD2 PHE 77 2HD PHE 77 7.880 4.729 0.887 953 HE1 PHE 77 1HE PHE 77 5.515 0.851 2.769 954 HE2 PHE 77 2HE PHE 77 8.710 2.454 0.450 955 HZ PHE 77 HZ PHE 77 7.527 0.513 1.391 956 H HIS 78 H HIS 78 7.908 8.503 2.792 957 HA HIS 78 HA HIS 78 5.874 10.166 4.030 958 HB2 HIS 78 2HB HIS 78 8.099 10.734 4.639 959 HB3 HIS 78 1HB HIS 78 8.651 10.688 2.973 960 HD1 HIS 78 1HD HIS 78 9.594 13.093 3.076 961 HD2 HIS 78 2HD HIS 78 5.532 12.844 3.920 962 HE1 HIS 78 1HE HIS 78 8.701 15.456 2.984 963 H PHE 79 H PHE 79 4.287 11.075 2.938 964 HA PHE 79 HA PHE 79 4.297 11.080 0.051 965 HB2 PHE 79 2HB PHE 79 2.270 12.163 2.030 966 HB3 PHE 79 1HB PHE 79 2.026 12.050 0.292 967 HD1 PHE 79 1HD PHE 79 2.178 10.214 3.437 968 HD2 PHE 79 2HD PHE 79 1.665 9.899 -0.775 969 HE1 PHE 79 1HE PHE 79 1.287 7.939 3.720 970 HE2 PHE 79 2HE PHE 79 0.773 7.624 -0.498 971 HZ PHE 79 HZ PHE 79 0.577 6.643 1.750 972 H SER 80 H SER 80 6.157 12.450 -0.136 973 HA SER 80 HA SER 80 6.090 15.165 0.769 974 HB2 SER 80 2HB SER 80 8.107 15.160 -0.993 975 HB3 SER 80 1HB SER 80 8.267 14.487 0.628 976 HG SER 80 HG SER 80 7.312 12.835 -1.426 977 H ASN 81 H ASN 81 3.957 14.171 -1.114 978 HA ASN 81 HA ASN 81 4.415 15.883 -3.435 979 HB2 ASN 81 2HB ASN 81 3.368 13.483 -3.483 980 HB3 ASN 81 1HB ASN 81 1.899 14.308 -2.971 981 HD21 ASN 81 1HD2 ASN 81 1.112 13.444 -5.017 982 HD22 ASN 81 2HD2 ASN 81 1.383 14.370 -6.461 983 H GLU 82 H GLU 82 4.277 17.904 -2.586 984 HA GLU 82 HA GLU 82 2.584 18.874 -0.650 985 HB2 GLU 82 2HB GLU 82 3.075 21.088 -1.512 986 HB3 GLU 82 1HB GLU 82 4.515 20.084 -1.541 987 HG2 GLU 82 2HG GLU 82 2.784 20.522 -3.959 988 HG3 GLU 82 1HG GLU 82 4.128 21.578 -3.537 989 H SER 83 H SER 83 1.753 18.116 -3.924 990 HA SER 83 HA SER 83 -0.573 19.775 -4.016 991 HB2 SER 83 2HB SER 83 -1.017 18.106 -6.032 992 HB3 SER 83 1HB SER 83 0.195 19.383 -6.140 993 HG SER 83 HG SER 83 0.529 16.618 -5.837 994 H THR 84 H THR 84 -0.082 16.244 -3.600 995 HA THR 84 HA THR 84 -2.810 16.140 -2.497 996 HB THR 84 HB THR 84 -2.698 13.721 -3.636 997 HG1 THR 84 1HG THR 84 -0.817 13.841 -4.735 998 HG21 THR 84 1HG2 THR 84 -4.490 15.349 -3.959 999 HG22 THR 84 2HG2 THR 84 -4.003 14.652 -5.505 1000 HG23 THR 84 3HG2 THR 84 -3.468 16.274 -5.060 1001 H ALA 85 H ALA 85 -0.253 16.150 -1.053 1002 HA ALA 85 HA ALA 85 0.731 13.717 -0.256 1003 HB1 ALA 85 1HB ALA 85 0.254 16.002 1.642 1004 HB2 ALA 85 2HB ALA 85 1.550 15.975 0.447 1005 HB3 ALA 85 3HB ALA 85 1.509 14.767 1.731 1006 H VAL 86 H VAL 86 -1.706 15.492 1.622 1007 HA VAL 86 HA VAL 86 -2.417 13.388 3.312 1008 HB VAL 86 HB VAL 86 -3.995 15.800 2.418 1009 HG11 VAL 86 1HG1 VAL 86 -5.444 15.443 4.337 1010 HG12 VAL 86 2HG1 VAL 86 -4.544 13.989 4.769 1011 HG13 VAL 86 3HG1 VAL 86 -5.489 14.031 3.281 1012 HG21 VAL 86 1HG2 VAL 86 -2.410 15.283 4.915 1013 HG22 VAL 86 2HG2 VAL 86 -3.357 16.732 4.577 1014 HG23 VAL 86 3HG2 VAL 86 -1.951 16.345 3.584 1015 H LYS 87 H LYS 87 -3.694 14.377 0.196 1016 HA LYS 87 HA LYS 87 -5.988 12.751 0.138 1017 HB2 LYS 87 2HB LYS 87 -4.331 13.875 -2.122 1018 HB3 LYS 87 1HB LYS 87 -5.884 13.084 -2.340 1019 HG2 LYS 87 2HG LYS 87 -6.673 15.181 -2.252 1020 HG3 LYS 87 1HG LYS 87 -6.548 14.950 -0.508 1021 HD2 LYS 87 2HD LYS 87 -4.595 16.205 -0.356 1022 HD3 LYS 87 1HD LYS 87 -4.212 15.996 -2.066 1023 HE2 LYS 87 2HE LYS 87 -6.197 17.410 -2.608 1024 HE3 LYS 87 1HE LYS 87 -6.392 17.713 -0.883 1025 HZ1 LYS 87 1HZ LYS 87 -5.177 19.495 -2.019 1026 HZ2 LYS 87 2HZ LYS 87 -3.966 18.400 -2.469 1027 HZ3 LYS 87 3HZ LYS 87 -4.228 18.753 -0.833 1028 H GLU 88 H GLU 88 -2.768 12.223 -1.322 1029 HA GLU 88 HA GLU 88 -3.363 9.617 -2.256 1030 HB2 GLU 88 2HB GLU 88 -0.714 10.960 -1.688 1031 HB3 GLU 88 1HB GLU 88 -0.882 9.406 -2.494 1032 HG2 GLU 88 2HG GLU 88 -1.960 10.381 -4.355 1033 HG3 GLU 88 1HG GLU 88 -2.188 11.909 -3.509 1034 H ARG 89 H ARG 89 -2.200 10.910 0.754 1035 HA ARG 89 HA ARG 89 -1.199 8.625 1.988 1036 HB2 ARG 89 2HB ARG 89 -1.097 10.936 2.924 1037 HB3 ARG 89 1HB ARG 89 -2.813 10.840 3.280 1038 HG2 ARG 89 2HG ARG 89 -0.987 8.773 4.402 1039 HG3 ARG 89 1HG ARG 89 -1.015 10.378 5.125 1040 HD2 ARG 89 2HD ARG 89 -3.224 8.355 4.940 1041 HD3 ARG 89 1HD ARG 89 -2.552 9.123 6.373 1042 HE ARG 89 HE ARG 89 -4.424 10.352 4.459 1043 HH11 ARG 89 1HH1 ARG 89 -2.688 10.525 7.504 1044 HH12 ARG 89 2HH1 ARG 89 -3.743 11.736 8.179 1045 HH21 ARG 89 1HH2 ARG 89 -5.821 11.891 5.347 1046 HH22 ARG 89 2HH2 ARG 89 -5.529 12.510 6.964 1047 H ASP 90 H ASP 90 -4.481 9.946 2.024 1048 HA ASP 90 HA ASP 90 -5.647 7.823 3.488 1049 HB2 ASP 90 2HB ASP 90 -6.740 10.028 1.764 1050 HB3 ASP 90 1HB ASP 90 -7.805 8.780 2.407 1051 H ALA 91 H ALA 91 -5.132 8.339 0.030 1052 HA ALA 91 HA ALA 91 -6.827 6.295 -0.893 1053 HB1 ALA 91 1HB ALA 91 -4.299 7.351 -2.161 1054 HB2 ALA 91 2HB ALA 91 -5.912 8.037 -2.359 1055 HB3 ALA 91 3HB ALA 91 -5.559 6.421 -2.972 1056 H VAL 92 H VAL 92 -3.383 6.296 -0.022 1057 HA VAL 92 HA VAL 92 -2.996 3.525 -0.647 1058 HB VAL 92 HB VAL 92 -1.344 5.276 1.191 1059 HG11 VAL 92 1HG1 VAL 92 -0.588 2.773 -0.311 1060 HG12 VAL 92 2HG1 VAL 92 -0.931 2.863 1.417 1061 HG13 VAL 92 3HG1 VAL 92 0.459 3.718 0.748 1062 HG21 VAL 92 1HG2 VAL 92 -1.113 4.826 -1.776 1063 HG22 VAL 92 2HG2 VAL 92 0.119 5.604 -0.781 1064 HG23 VAL 92 3HG2 VAL 92 -1.474 6.344 -0.952 1065 H LYS 93 H LYS 93 -3.749 5.414 2.162 1066 HA LYS 93 HA LYS 93 -3.429 3.473 4.154 1067 HB2 LYS 93 2HB LYS 93 -3.508 5.587 5.001 1068 HB3 LYS 93 1HB LYS 93 -4.702 6.126 3.841 1069 HG2 LYS 93 2HG LYS 93 -6.435 4.919 5.120 1070 HG3 LYS 93 1HG LYS 93 -5.208 4.522 6.329 1071 HD2 LYS 93 2HD LYS 93 -4.984 6.713 7.016 1072 HD3 LYS 93 1HD LYS 93 -5.588 7.361 5.490 1073 HE2 LYS 93 2HE LYS 93 -7.395 5.742 7.209 1074 HE3 LYS 93 1HE LYS 93 -7.058 7.416 7.648 1075 HZ1 LYS 93 1HZ LYS 93 -9.019 7.338 6.298 1076 HZ2 LYS 93 2HZ LYS 93 -8.236 6.454 5.085 1077 HZ3 LYS 93 3HZ LYS 93 -7.788 8.068 5.394 1078 H ASP 94 H ASP 94 -6.383 4.620 2.518 1079 HA ASP 94 HA ASP 94 -8.055 2.709 3.777 1080 HB2 ASP 94 2HB ASP 94 -8.356 4.734 1.641 1081 HB3 ASP 94 1HB ASP 94 -9.524 3.418 1.656 1082 H LEU 95 H LEU 95 -6.275 2.704 0.769 1083 HA LEU 95 HA LEU 95 -7.577 0.354 -0.253 1084 HB2 LEU 95 2HB LEU 95 -6.236 2.181 -1.549 1085 HB3 LEU 95 1HB LEU 95 -4.834 1.223 -1.108 1086 HG LEU 95 HG LEU 95 -5.777 -0.719 -2.268 1087 HD11 LEU 95 1HD1 LEU 95 -7.778 -0.463 -3.664 1088 HD12 LEU 95 2HD1 LEU 95 -8.023 1.154 -3.001 1089 HD13 LEU 95 3HD1 LEU 95 -8.139 -0.258 -1.949 1090 HD21 LEU 95 1HD2 LEU 95 -5.713 1.781 -3.951 1091 HD22 LEU 95 2HD2 LEU 95 -5.586 0.130 -4.557 1092 HD23 LEU 95 3HD2 LEU 95 -4.327 0.783 -3.510 1093 H LEU 96 H LEU 96 -4.837 1.031 1.803 1094 HA LEU 96 HA LEU 96 -3.738 -1.571 1.672 1095 HB2 LEU 96 2HB LEU 96 -3.393 0.773 3.446 1096 HB3 LEU 96 1HB LEU 96 -2.898 -0.790 4.075 1097 HG LEU 96 HG LEU 96 -1.892 0.517 1.548 1098 HD11 LEU 96 1HD1 LEU 96 0.241 0.609 2.747 1099 HD12 LEU 96 2HD1 LEU 96 -0.548 -0.041 4.185 1100 HD13 LEU 96 3HD1 LEU 96 -1.014 1.543 3.564 1101 HD21 LEU 96 1HD2 LEU 96 -0.325 -1.360 1.425 1102 HD22 LEU 96 2HD2 LEU 96 -2.000 -1.892 1.274 1103 HD23 LEU 96 3HD2 LEU 96 -1.136 -2.118 2.796 1104 H GLN 97 H GLN 97 -5.767 -0.027 4.268 1105 HA GLN 97 HA GLN 97 -6.282 -2.336 5.689 1106 HB2 GLN 97 2HB GLN 97 -8.643 -1.116 6.006 1107 HB3 GLN 97 1HB GLN 97 -7.171 -0.550 6.787 1108 HG2 GLN 97 2HG GLN 97 -6.982 0.828 4.547 1109 HG3 GLN 97 1HG GLN 97 -8.729 0.598 4.561 1110 HE21 GLN 97 1HE2 GLN 97 -7.064 0.705 7.546 1111 HE22 GLN 97 2HE2 GLN 97 -7.544 2.303 8.001 1112 H GLN 98 H GLN 98 -7.441 -1.443 2.577 1113 HA GLN 98 HA GLN 98 -9.584 -3.353 2.495 1114 HB2 GLN 98 2HB GLN 98 -8.359 -1.385 0.649 1115 HB3 GLN 98 1HB GLN 98 -9.185 -2.732 -0.100 1116 HG2 GLN 98 2HG GLN 98 -10.337 -0.394 0.705 1117 HG3 GLN 98 1HG GLN 98 -11.196 -1.900 0.384 1118 HE21 GLN 98 1HE2 GLN 98 -9.825 0.146 2.845 1119 HE22 GLN 98 2HE2 GLN 98 -10.722 -0.520 4.166 1120 H LEU 99 H LEU 99 -6.332 -3.182 1.026 1121 HA LEU 99 HA LEU 99 -6.631 -5.852 -0.056 1122 HB2 LEU 99 2HB LEU 99 -4.349 -3.905 -0.209 1123 HB3 LEU 99 1HB LEU 99 -4.422 -5.440 -1.057 1124 HG LEU 99 HG LEU 99 -6.540 -3.356 -1.429 1125 HD11 LEU 99 1HD1 LEU 99 -5.302 -2.632 -3.447 1126 HD12 LEU 99 2HD1 LEU 99 -3.934 -3.616 -2.923 1127 HD13 LEU 99 3HD1 LEU 99 -4.459 -2.246 -1.945 1128 HD21 LEU 99 1HD2 LEU 99 -5.565 -5.648 -3.120 1129 HD22 LEU 99 2HD2 LEU 99 -6.823 -4.503 -3.582 1130 HD23 LEU 99 3HD2 LEU 99 -7.071 -5.580 -2.208 1131 H LEU 100 H LEU 100 -4.701 -4.296 2.460 1132 HA LEU 100 HA LEU 100 -2.739 -6.116 2.951 1133 HB2 LEU 100 2HB LEU 100 -4.219 -4.230 4.701 1134 HB3 LEU 100 1HB LEU 100 -3.171 -5.407 5.471 1135 HG LEU 100 HG LEU 100 -2.273 -3.461 3.344 1136 HD11 LEU 100 1HD1 LEU 100 -1.145 -2.255 5.154 1137 HD12 LEU 100 2HD1 LEU 100 -1.874 -3.337 6.338 1138 HD13 LEU 100 3HD1 LEU 100 -2.893 -2.261 5.384 1139 HD21 LEU 100 1HD2 LEU 100 -0.029 -4.147 4.040 1140 HD22 LEU 100 2HD2 LEU 100 -0.964 -5.501 3.406 1141 HD23 LEU 100 3HD2 LEU 100 -0.738 -5.323 5.146 1142 HA PRO 101 HA PRO 101 -5.349 -8.857 5.867 1143 HB2 PRO 101 2HB PRO 101 -8.035 -8.586 5.967 1144 HB3 PRO 101 1HB PRO 101 -6.946 -7.646 6.994 1145 HG2 PRO 101 2HG PRO 101 -8.329 -6.848 4.465 1146 HG3 PRO 101 1HG PRO 101 -8.102 -5.920 5.959 1147 HD2 PRO 101 2HD PRO 101 -6.564 -5.580 3.735 1148 HD3 PRO 101 1HD PRO 101 -5.979 -5.274 5.381 1149 H LYS 102 H LYS 102 -6.895 -7.944 2.846 1150 HA LYS 102 HA LYS 102 -8.213 -10.366 2.294 1151 HB2 LYS 102 2HB LYS 102 -8.209 -7.948 1.136 1152 HB3 LYS 102 1HB LYS 102 -7.128 -8.782 0.028 1153 HG2 LYS 102 2HG LYS 102 -8.836 -10.472 -0.380 1154 HG3 LYS 102 1HG LYS 102 -9.918 -9.659 0.750 1155 HD2 LYS 102 2HD LYS 102 -8.870 -8.587 -1.867 1156 HD3 LYS 102 1HD LYS 102 -10.531 -9.044 -1.492 1157 HE2 LYS 102 2HE LYS 102 -8.960 -6.706 -0.435 1158 HE3 LYS 102 1HE LYS 102 -10.437 -6.678 -1.394 1159 HZ1 LYS 102 1HZ LYS 102 -10.103 -7.385 1.460 1160 HZ2 LYS 102 2HZ LYS 102 -11.466 -7.887 0.597 1161 HZ3 LYS 102 3HZ LYS 102 -11.140 -6.237 0.770 1162 H PHE 103 H PHE 103 -4.910 -9.357 1.861 1163 HA PHE 103 HA PHE 103 -4.342 -11.892 0.486 1164 HB2 PHE 103 2HB PHE 103 -2.748 -9.325 0.544 1165 HB3 PHE 103 1HB PHE 103 -2.234 -10.808 -0.252 1166 HD1 PHE 103 1HD PHE 103 -3.601 -11.699 -2.152 1167 HD2 PHE 103 2HD PHE 103 -4.203 -7.832 -0.496 1168 HE1 PHE 103 1HE PHE 103 -4.819 -11.022 -4.183 1169 HE2 PHE 103 2HE PHE 103 -5.420 -7.146 -2.518 1170 HZ PHE 103 HZ PHE 103 -5.724 -8.741 -4.364 1171 H LYS 104 H LYS 104 -4.575 -11.222 3.487 1172 HA LYS 104 HA LYS 104 -1.890 -11.543 4.454 1173 HB2 LYS 104 2HB LYS 104 -4.063 -10.571 5.631 1174 HB3 LYS 104 1HB LYS 104 -4.254 -12.243 6.139 1175 HG2 LYS 104 2HG LYS 104 -3.094 -11.291 7.895 1176 HG3 LYS 104 1HG LYS 104 -1.813 -12.046 6.944 1177 HD2 LYS 104 2HD LYS 104 -1.014 -9.895 7.494 1178 HD3 LYS 104 1HD LYS 104 -1.531 -9.792 5.809 1179 HE2 LYS 104 2HE LYS 104 -3.727 -8.902 6.648 1180 HE3 LYS 104 1HE LYS 104 -2.996 -8.804 8.249 1181 HZ1 LYS 104 1HZ LYS 104 -1.294 -7.331 7.299 1182 HZ2 LYS 104 2HZ LYS 104 -2.862 -6.682 7.162 1183 HZ3 LYS 104 3HZ LYS 104 -2.102 -7.374 5.812 1184 H ARG 105 H ARG 105 -0.846 -13.350 4.028 1185 HA ARG 105 HA ARG 105 -1.931 -15.876 4.929 1186 HB2 ARG 105 2HB ARG 105 -1.228 -16.981 2.740 1187 HB3 ARG 105 1HB ARG 105 -2.712 -16.040 2.702 1188 HG2 ARG 105 2HG ARG 105 -1.547 -14.191 1.655 1189 HG3 ARG 105 1HG ARG 105 -0.022 -15.071 1.758 1190 HD2 ARG 105 2HD ARG 105 -0.478 -15.853 -0.277 1191 HD3 ARG 105 1HD ARG 105 -1.718 -16.844 0.490 1192 HE ARG 105 HE ARG 105 -3.332 -15.145 -0.088 1193 HH11 ARG 105 1HH1 ARG 105 -0.192 -14.830 -1.596 1194 HH12 ARG 105 2HH1 ARG 105 -0.773 -13.868 -2.930 1195 HH21 ARG 105 1HH2 ARG 105 -4.106 -13.893 -1.858 1196 HH22 ARG 105 2HH2 ARG 105 -2.991 -13.363 -3.092 1197 H LYS 106 H LYS 106 -0.301 -16.011 6.458 1198 HA LYS 106 HA LYS 106 2.424 -15.527 5.650 1199 HB2 LYS 106 2HB LYS 106 1.286 -15.131 8.005 1200 HB3 LYS 106 1HB LYS 106 1.798 -16.794 8.274 1201 HG2 LYS 106 2HG LYS 106 3.433 -15.111 9.065 1202 HG3 LYS 106 1HG LYS 106 4.091 -16.220 7.860 1203 HD2 LYS 106 2HD LYS 106 3.496 -14.441 6.134 1204 HD3 LYS 106 1HD LYS 106 3.257 -13.352 7.500 1205 HE2 LYS 106 2HE LYS 106 5.439 -12.966 7.586 1206 HE3 LYS 106 1HE LYS 106 5.743 -14.683 7.849 1207 HZ1 LYS 106 1HZ LYS 106 6.567 -13.265 5.700 1208 HZ2 LYS 106 2HZ LYS 106 5.166 -14.008 5.111 1209 HZ3 LYS 106 3HZ LYS 106 6.415 -14.960 5.751 1210 H ALA 107 H ALA 107 2.655 -17.065 4.040 1211 HA ALA 107 HA ALA 107 3.158 -19.789 5.048 1212 HB1 ALA 107 1HB ALA 107 2.481 -20.665 2.855 1213 HB2 ALA 107 2HB ALA 107 2.059 -19.033 2.336 1214 HB3 ALA 107 3HB ALA 107 1.156 -19.804 3.639 1215 H ASN 108 H ASN 108 4.798 -17.403 4.781 1216 HA ASN 108 HA ASN 108 7.057 -18.543 3.422 1217 HB2 ASN 108 2HB ASN 108 7.458 -16.630 1.951 1218 HB3 ASN 108 1HB ASN 108 5.895 -17.350 1.573 1219 HD21 ASN 108 1HD2 ASN 108 7.539 -14.597 2.888 1220 HD22 ASN 108 2HD2 ASN 108 6.164 -13.536 2.946 Start of MODEL 17 1 H ARG 390 2HT ARG 390 17.504 22.668 1.354 2 HA ARG 390 HA ARG 390 15.610 21.947 -0.801 3 HB2 ARG 390 2HB ARG 390 15.640 20.738 1.524 4 HB3 ARG 390 1HB ARG 390 14.930 22.237 2.107 5 HG2 ARG 390 2HG ARG 390 13.196 20.630 1.621 6 HG3 ARG 390 1HG ARG 390 13.096 21.983 0.493 7 HD2 ARG 390 2HD ARG 390 12.775 19.896 -0.694 8 HD3 ARG 390 1HD ARG 390 14.295 20.639 -1.190 9 HE ARG 390 HE ARG 390 14.070 18.342 0.668 10 HH11 ARG 390 1HH1 ARG 390 15.764 20.115 -1.836 11 HH12 ARG 390 2HH1 ARG 390 17.132 19.055 -1.855 12 HH21 ARG 390 1HH2 ARG 390 15.848 16.910 0.626 13 HH22 ARG 390 2HH2 ARG 390 17.182 17.220 -0.457 14 H ARG 391 H ARG 391 15.879 24.070 2.076 15 HA ARG 391 HA ARG 391 15.603 26.441 0.572 16 HB2 ARG 391 2HB ARG 391 13.155 25.158 0.999 17 HB3 ARG 391 1HB ARG 391 13.205 26.458 2.183 18 HG2 ARG 391 2HG ARG 391 13.417 26.681 -0.811 19 HG3 ARG 391 1HG ARG 391 12.158 27.326 0.241 20 HD2 ARG 391 2HD ARG 391 13.419 29.213 -0.198 21 HD3 ARG 391 1HD ARG 391 14.119 28.660 1.322 22 HE ARG 391 HE ARG 391 15.350 27.982 -1.271 23 HH11 ARG 391 1HH1 ARG 391 15.561 29.391 1.923 24 HH12 ARG 391 2HH1 ARG 391 17.291 29.534 1.895 25 HH21 ARG 391 1HH2 ARG 391 17.640 28.182 -1.325 26 HH22 ARG 391 2HH2 ARG 391 18.469 28.858 0.037 27 H ARG 392 H ARG 392 17.412 25.773 2.403 28 HA ARG 392 HA ARG 392 16.724 27.512 4.689 29 HB2 ARG 392 2HB ARG 392 18.569 25.103 4.680 30 HB3 ARG 392 1HB ARG 392 18.335 26.189 6.043 31 HG2 ARG 392 2HG ARG 392 16.140 25.449 6.403 32 HG3 ARG 392 1HG ARG 392 16.049 24.681 4.817 33 HD2 ARG 392 2HD ARG 392 17.941 23.792 6.987 34 HD3 ARG 392 1HD ARG 392 16.330 23.113 6.767 35 HE ARG 392 HE ARG 392 17.840 23.028 4.343 36 HH11 ARG 392 1HH1 ARG 392 17.429 21.399 7.425 37 HH12 ARG 392 2HH1 ARG 392 17.991 19.868 6.835 38 HH21 ARG 392 1HH2 ARG 392 18.602 21.023 3.569 39 HH22 ARG 392 2HH2 ARG 392 18.678 19.659 4.653 40 H THR 393 H THR 393 19.896 26.279 4.434 41 HA THR 393 HA THR 393 20.841 28.776 3.187 42 HB THR 393 HB THR 393 22.994 27.834 4.609 43 HG1 THR 393 1HG THR 393 22.299 27.037 6.528 44 HG21 THR 393 1HG2 THR 393 22.254 30.153 4.536 45 HG22 THR 393 2HG2 THR 393 22.499 29.644 6.207 46 HG23 THR 393 3HG2 THR 393 20.865 29.761 5.552 47 H GLU 394 H GLU 394 20.077 26.165 2.078 48 HA GLU 394 HA GLU 394 22.629 25.354 0.865 49 HB2 GLU 394 2HB GLU 394 20.857 23.209 0.598 50 HB3 GLU 394 1HB GLU 394 22.236 23.303 1.682 51 HG2 GLU 394 2HG GLU 394 20.400 22.647 3.000 52 HG3 GLU 394 1HG GLU 394 20.698 24.339 3.382 53 H ALA 395 H ALA 395 21.397 23.574 -0.967 54 HA ALA 395 HA ALA 395 19.921 25.436 -2.705 55 HB1 ALA 395 1HB ALA 395 22.209 25.127 -3.507 56 HB2 ALA 395 2HB ALA 395 21.047 24.414 -4.626 57 HB3 ALA 395 3HB ALA 395 21.972 23.380 -3.536 58 H LEU 396 H LEU 396 20.034 22.910 -4.568 59 HA LEU 396 HA LEU 396 17.539 21.792 -3.536 60 HB2 LEU 396 2HB LEU 396 17.634 22.693 -5.852 61 HB3 LEU 396 1HB LEU 396 18.810 21.459 -6.253 62 HG LEU 396 HG LEU 396 17.113 19.719 -5.759 63 HD11 LEU 396 1HD1 LEU 396 14.767 20.383 -5.529 64 HD12 LEU 396 2HD1 LEU 396 15.256 22.077 -5.457 65 HD13 LEU 396 3HD1 LEU 396 15.745 20.964 -4.179 66 HD21 LEU 396 1HD2 LEU 396 16.290 21.789 -7.791 67 HD22 LEU 396 2HD2 LEU 396 15.762 20.108 -7.764 68 HD23 LEU 396 3HD2 LEU 396 17.460 20.493 -8.042 69 H GLY 397 H GLY 397 20.802 20.880 -4.442 70 HA2 GLY 397 2HA GLY 397 20.296 18.052 -4.037 71 HA3 GLY 397 1HA GLY 397 21.835 18.789 -4.467 72 H ASP 398 H ASP 398 19.606 18.160 -1.837 73 HA ASP 398 HA ASP 398 21.769 17.803 0.022 74 HB2 ASP 398 2HB ASP 398 21.190 19.532 1.573 75 HB3 ASP 398 1HB ASP 398 21.354 20.307 -0.000 76 H ALA 399 H ALA 399 20.505 17.777 2.366 77 HA ALA 399 HA ALA 399 18.134 16.071 2.001 78 HB1 ALA 399 1HB ALA 399 20.117 14.696 2.505 79 HB2 ALA 399 2HB ALA 399 18.921 14.631 3.800 80 HB3 ALA 399 3HB ALA 399 20.369 15.622 3.984 81 H GLU 400 H GLU 400 16.415 16.740 3.158 82 HA GLU 400 HA GLU 400 16.584 19.072 4.741 83 HB2 GLU 400 2HB GLU 400 14.148 18.360 5.387 84 HB3 GLU 400 1HB GLU 400 14.513 18.932 3.770 85 HG2 GLU 400 2HG GLU 400 14.540 16.008 4.388 86 HG3 GLU 400 1HG GLU 400 13.023 16.849 4.089 87 H GLU 401 H GLU 401 14.981 16.210 6.061 88 HA GLU 401 HA GLU 401 16.723 16.426 8.424 89 HB2 GLU 401 2HB GLU 401 14.478 15.312 9.455 90 HB3 GLU 401 1HB GLU 401 14.846 17.029 9.513 91 HG2 GLU 401 2HG GLU 401 12.605 16.811 8.793 92 HG3 GLU 401 1HG GLU 401 13.557 17.286 7.384 93 H ASP 402 H ASP 402 14.840 13.993 9.182 94 HA ASP 402 HA ASP 402 16.245 12.014 7.537 95 HB2 ASP 402 2HB ASP 402 17.466 12.316 9.687 96 HB3 ASP 402 1HB ASP 402 16.009 11.830 10.547 97 H GLU 403 H GLU 403 13.413 13.108 7.996 98 HA GLU 403 HA GLU 403 11.282 12.343 7.807 99 HB2 GLU 403 2HB GLU 403 12.892 10.127 6.807 100 HB3 GLU 403 1HB GLU 403 11.393 9.575 7.537 101 HG2 GLU 403 2HG GLU 403 10.930 9.867 5.258 102 HG3 GLU 403 1HG GLU 403 10.207 11.251 6.072 103 H ASP 404 H ASP 404 10.144 12.483 9.650 104 HA ASP 404 HA ASP 404 10.999 11.286 12.064 105 HB2 ASP 404 2HB ASP 404 8.554 12.017 12.716 106 HB3 ASP 404 1HB ASP 404 9.812 13.218 12.457 107 H ASP 405 H ASP 405 11.021 9.184 12.236 108 HA ASP 405 HA ASP 405 9.049 7.489 11.013 109 HB2 ASP 405 2HB ASP 405 11.254 6.778 12.966 110 HB3 ASP 405 1HB ASP 405 10.327 5.643 11.995 111 H GLU 406 H GLU 406 8.164 9.421 13.105 112 HA GLU 406 HA GLU 406 6.936 7.438 14.873 113 HB2 GLU 406 2HB GLU 406 7.009 9.427 16.606 114 HB3 GLU 406 1HB GLU 406 8.340 8.293 16.448 115 HG2 GLU 406 2HG GLU 406 9.413 10.319 16.500 116 HG3 GLU 406 1HG GLU 406 9.285 10.008 14.772 117 H ASP 407 H ASP 407 5.257 8.523 16.271 118 HA ASP 407 HA ASP 407 3.321 9.523 16.570 119 HB2 ASP 407 2HB ASP 407 4.546 11.558 15.638 120 HB3 ASP 407 1HB ASP 407 3.604 11.250 14.182 121 H PHE 408 H PHE 408 3.968 7.519 14.215 122 HA PHE 408 HA PHE 408 1.753 7.868 12.464 123 HB2 PHE 408 2HB PHE 408 3.543 5.479 12.923 124 HB3 PHE 408 1HB PHE 408 2.284 5.532 11.705 125 HD1 PHE 408 1HD PHE 408 5.316 7.362 12.820 126 HD2 PHE 408 2HD PHE 408 2.769 6.291 9.597 127 HE1 PHE 408 1HE PHE 408 6.867 8.427 11.246 128 HE2 PHE 408 2HE PHE 408 4.315 7.357 8.015 129 HZ PHE 408 HZ PHE 408 6.360 8.434 8.844 130 H VAL 409 H VAL 409 -0.213 7.365 12.653 131 HA VAL 409 HA VAL 409 -1.152 5.969 15.000 132 HB VAL 409 HB VAL 409 -3.430 6.660 13.963 133 HG11 VAL 409 1HG1 VAL 409 -3.100 8.908 14.791 134 HG12 VAL 409 2HG1 VAL 409 -1.354 8.655 14.718 135 HG13 VAL 409 3HG1 VAL 409 -2.339 7.706 15.834 136 HG21 VAL 409 1HG2 VAL 409 -2.654 7.129 11.720 137 HG22 VAL 409 2HG2 VAL 409 -1.602 8.390 12.358 138 HG23 VAL 409 3HG2 VAL 409 -3.354 8.553 12.489 139 H GLU 410 H GLU 410 -1.566 3.921 14.998 140 HA GLU 410 HA GLU 410 -1.001 2.312 12.829 141 HB2 GLU 410 2HB GLU 410 -0.947 1.465 15.113 142 HB3 GLU 410 1HB GLU 410 -2.697 1.629 15.234 143 HG2 GLU 410 2HG GLU 410 -3.038 -0.055 13.575 144 HG3 GLU 410 1HG GLU 410 -1.313 -0.120 13.221 145 H VAL 411 H VAL 411 -1.983 1.850 11.116 146 HA VAL 411 HA VAL 411 -4.784 2.538 10.780 147 HB VAL 411 HB VAL 411 -2.916 1.620 8.586 148 HG11 VAL 411 1HG1 VAL 411 -5.348 1.690 8.176 149 HG12 VAL 411 2HG1 VAL 411 -4.472 2.875 7.207 150 HG13 VAL 411 3HG1 VAL 411 -5.361 3.390 8.642 151 HG21 VAL 411 1HG2 VAL 411 -1.832 3.431 9.713 152 HG22 VAL 411 2HG2 VAL 411 -3.299 4.404 9.592 153 HG23 VAL 411 3HG2 VAL 411 -2.434 3.924 8.130 154 HA PRO 412 HA PRO 412 -5.555 -1.871 11.161 155 HB2 PRO 412 2HB PRO 412 -8.155 -1.666 11.634 156 HB3 PRO 412 1HB PRO 412 -7.000 -1.059 12.831 157 HG2 PRO 412 2HG PRO 412 -8.498 0.473 10.716 158 HG3 PRO 412 1HG PRO 412 -8.344 0.840 12.446 159 HD2 PRO 412 2HD PRO 412 -6.783 1.988 10.538 160 HD3 PRO 412 1HD PRO 412 -6.228 1.702 12.200 161 H GLU 413 H GLU 413 -7.149 -3.354 10.101 162 HA GLU 413 HA GLU 413 -7.390 -2.707 7.287 163 HB2 GLU 413 2HB GLU 413 -8.431 -5.228 8.547 164 HB3 GLU 413 1HB GLU 413 -7.783 -4.989 6.932 165 HG2 GLU 413 2HG GLU 413 -6.035 -6.085 7.868 166 HG3 GLU 413 1HG GLU 413 -5.582 -4.433 8.286 167 H LYS 414 H LYS 414 -9.464 -2.972 6.133 168 HA LYS 414 HA LYS 414 -11.712 -2.183 7.864 169 HB2 LYS 414 2HB LYS 414 -10.676 -1.052 5.390 170 HB3 LYS 414 1HB LYS 414 -12.414 -1.329 5.354 171 HG2 LYS 414 2HG LYS 414 -12.799 0.399 6.683 172 HG3 LYS 414 1HG LYS 414 -11.590 -0.139 7.848 173 HD2 LYS 414 2HD LYS 414 -10.609 1.806 7.214 174 HD3 LYS 414 1HD LYS 414 -9.949 0.750 5.965 175 HE2 LYS 414 2HE LYS 414 -11.214 1.659 4.324 176 HE3 LYS 414 1HE LYS 414 -12.560 2.021 5.405 177 HZ1 LYS 414 1HZ LYS 414 -11.133 3.947 4.453 178 HZ2 LYS 414 2HZ LYS 414 -10.025 3.507 5.658 179 HZ3 LYS 414 3HZ LYS 414 -11.590 3.985 6.084 180 H GLU 415 H GLU 415 -10.910 -3.960 4.918 181 HA GLU 415 HA GLU 415 -11.895 -5.701 3.868 182 HB2 GLU 415 2HB GLU 415 -13.113 -5.967 6.596 183 HB3 GLU 415 1HB GLU 415 -13.717 -6.962 5.280 184 HG2 GLU 415 2HG GLU 415 -12.135 -8.407 5.843 185 HG3 GLU 415 1HG GLU 415 -11.001 -7.285 5.093 186 H GLY 416 H GLY 416 -14.652 -4.569 5.793 187 HA2 GLY 416 2HA GLY 416 -16.282 -4.490 3.379 188 HA3 GLY 416 1HA GLY 416 -16.855 -4.323 5.030 189 H TYR 417 H TYR 417 -14.873 -2.630 2.632 190 HA TYR 417 HA TYR 417 -16.334 -0.169 3.192 191 HB2 TYR 417 2HB TYR 417 -14.601 0.418 4.573 192 HB3 TYR 417 1HB TYR 417 -13.461 -0.655 3.776 193 HD1 TYR 417 1HD TYR 417 -15.081 2.668 3.594 194 HD2 TYR 417 2HD TYR 417 -12.018 0.139 2.069 195 HE1 TYR 417 1HE TYR 417 -14.041 4.601 2.482 196 HE2 TYR 417 2HE TYR 417 -10.976 2.059 0.951 197 HH TYR 417 HH TYR 417 -11.441 5.087 1.697 198 H GLU 418 H GLU 418 -16.549 1.139 1.400 199 HA GLU 418 HA GLU 418 -15.842 -0.047 -1.143 200 HB2 GLU 418 2HB GLU 418 -17.062 2.679 -0.842 201 HB3 GLU 418 1HB GLU 418 -17.315 1.490 -2.110 202 HG2 GLU 418 2HG GLU 418 -19.278 1.234 -1.035 203 HG3 GLU 418 1HG GLU 418 -18.322 0.115 -0.064 204 HA PRO 419 HA PRO 419 -12.177 2.597 -1.191 205 HB2 PRO 419 2HB PRO 419 -10.594 0.977 -2.572 206 HB3 PRO 419 1HB PRO 419 -11.050 0.579 -0.909 207 HG2 PRO 419 2HG PRO 419 -12.086 -0.534 -3.478 208 HG3 PRO 419 1HG PRO 419 -11.777 -1.359 -1.941 209 HD2 PRO 419 2HD PRO 419 -14.266 -0.428 -2.849 210 HD3 PRO 419 1HD PRO 419 -13.877 -0.921 -1.191 211 H HIS 420 H HIS 420 -10.605 3.078 -3.149 212 HA HIS 420 HA HIS 420 -12.090 3.282 -5.653 213 HB2 HIS 420 2HB HIS 420 -11.437 5.622 -5.959 214 HB3 HIS 420 1HB HIS 420 -12.500 5.422 -4.572 215 HD1 HIS 420 1HD HIS 420 -11.336 5.705 -2.165 216 HD2 HIS 420 2HD HIS 420 -8.974 6.663 -5.457 217 HE1 HIS 420 1HE HIS 420 -9.352 6.987 -1.266 218 H ILE 421 H ILE 421 -10.432 4.693 -7.119 219 HA ILE 421 HA ILE 421 -7.777 3.634 -6.878 220 HB ILE 421 HB ILE 421 -8.076 1.864 -8.170 221 HG12 ILE 421 2HG1 ILE 421 -8.565 4.027 -10.181 222 HG13 ILE 421 1HG1 ILE 421 -7.157 2.990 -9.989 223 HG21 ILE 421 1HG2 ILE 421 -10.194 1.281 -9.245 224 HG22 ILE 421 2HG2 ILE 421 -10.799 2.907 -8.930 225 HG23 ILE 421 3HG2 ILE 421 -10.431 1.828 -7.585 226 HD11 ILE 421 1HD1 ILE 421 -8.416 2.451 -11.999 227 HD12 ILE 421 2HD1 ILE 421 -9.847 2.132 -11.019 228 HD13 ILE 421 3HD1 ILE 421 -8.422 1.106 -10.858 229 HA PRO 422 HA PRO 422 -7.953 6.859 -10.456 230 HB2 PRO 422 2HB PRO 422 -10.180 8.351 -10.763 231 HB3 PRO 422 1HB PRO 422 -9.959 6.789 -11.560 232 HG2 PRO 422 2HG PRO 422 -11.489 7.451 -9.075 233 HG3 PRO 422 1HG PRO 422 -11.943 6.387 -10.420 234 HD2 PRO 422 2HD PRO 422 -10.941 5.461 -8.062 235 HD3 PRO 422 1HD PRO 422 -10.703 4.628 -9.609 236 H ASP 423 H ASP 423 -7.114 7.263 -7.872 237 HA ASP 423 HA ASP 423 -7.597 10.156 -7.568 238 HB2 ASP 423 2HB ASP 423 -8.289 8.473 -5.645 239 HB3 ASP 423 1HB ASP 423 -6.572 8.562 -5.258 240 H HIS 424 H HIS 424 -5.402 7.674 -8.204 241 HA HIS 424 HA HIS 424 -2.995 8.812 -7.288 242 HB2 HIS 424 2HB HIS 424 -1.941 7.356 -9.110 243 HB3 HIS 424 1HB HIS 424 -2.876 6.529 -7.874 244 HD1 HIS 424 1HD HIS 424 -4.311 4.726 -8.848 245 HD2 HIS 424 2HD HIS 424 -3.761 7.887 -11.491 246 HE1 HIS 424 1HE HIS 424 -5.522 4.098 -10.970 247 H LEU 425 H LEU 425 -5.000 9.415 -10.006 248 HA LEU 425 HA LEU 425 -3.249 11.613 -10.842 249 HB2 LEU 425 2HB LEU 425 -4.717 9.671 -12.639 250 HB3 LEU 425 1HB LEU 425 -4.035 11.186 -13.197 251 HG LEU 425 HG LEU 425 -2.406 8.971 -11.953 252 HD11 LEU 425 1HD1 LEU 425 -2.819 9.651 -14.862 253 HD12 LEU 425 2HD1 LEU 425 -3.398 8.204 -14.037 254 HD13 LEU 425 3HD1 LEU 425 -1.666 8.474 -14.232 255 HD21 LEU 425 1HD2 LEU 425 -0.512 10.197 -12.897 256 HD22 LEU 425 2HD2 LEU 425 -1.414 11.192 -11.754 257 HD23 LEU 425 3HD2 LEU 425 -1.610 11.443 -13.489 258 H ARG 426 H ARG 426 -4.553 12.924 -9.564 259 HA ARG 426 HA ARG 426 -7.331 13.004 -9.532 260 HB2 ARG 426 2HB ARG 426 -5.225 15.043 -8.899 261 HB3 ARG 426 1HB ARG 426 -6.934 15.444 -8.793 262 HG2 ARG 426 2HG ARG 426 -5.408 13.401 -7.206 263 HG3 ARG 426 1HG ARG 426 -6.246 14.838 -6.621 264 HD2 ARG 426 2HD ARG 426 -7.469 12.322 -7.741 265 HD3 ARG 426 1HD ARG 426 -7.588 12.932 -6.091 266 HE ARG 426 HE ARG 426 -8.638 14.893 -7.794 267 HH11 ARG 426 1HH1 ARG 426 -9.396 11.654 -6.635 268 HH12 ARG 426 2HH1 ARG 426 -11.084 11.791 -7.010 269 HH21 ARG 426 1HH2 ARG 426 -10.859 15.079 -8.253 270 HH22 ARG 426 2HH2 ARG 426 -11.921 13.738 -7.917 271 HA PRO 427 HA PRO 427 -7.970 15.005 -13.480 272 HB2 PRO 427 2HB PRO 427 -10.401 13.929 -13.914 273 HB3 PRO 427 1HB PRO 427 -8.916 12.996 -14.118 274 HG2 PRO 427 2HG PRO 427 -10.967 12.807 -12.020 275 HG3 PRO 427 1HG PRO 427 -9.767 11.611 -12.531 276 HD2 PRO 427 2HD PRO 427 -9.663 13.413 -10.278 277 HD3 PRO 427 1HD PRO 427 -8.499 12.156 -10.740 278 H GLU 428 H GLU 428 -8.067 16.855 -11.724 279 HA GLU 428 HA GLU 428 -10.707 17.726 -10.985 280 HB2 GLU 428 2HB GLU 428 -7.944 18.490 -10.374 281 HB3 GLU 428 1HB GLU 428 -9.024 19.866 -10.545 282 HG2 GLU 428 2HG GLU 428 -8.797 19.044 -8.223 283 HG3 GLU 428 1HG GLU 428 -10.455 19.050 -8.819 284 H TYR 429 H TYR 429 -11.217 17.552 -13.384 285 HA TYR 429 HA TYR 429 -10.751 20.171 -14.626 286 HB2 TYR 429 2HB TYR 429 -9.653 18.190 -15.783 287 HB3 TYR 429 1HB TYR 429 -11.276 17.607 -16.139 288 HD1 TYR 429 1HD TYR 429 -8.903 20.382 -16.738 289 HD2 TYR 429 2HD TYR 429 -12.525 18.505 -17.945 290 HE1 TYR 429 1HE TYR 429 -8.952 21.787 -18.755 291 HE2 TYR 429 2HE TYR 429 -12.582 19.902 -19.967 292 HH TYR 429 HH TYR 429 -11.497 22.385 -20.499 293 H GLY 430 H GLY 430 -12.563 21.151 -15.630 294 HA2 GLY 430 2HA GLY 430 -14.849 21.040 -16.394 295 HA3 GLY 430 1HA GLY 430 -15.131 19.749 -15.231 296 H LEU 431 H LEU 431 -13.309 22.593 -14.452 297 HA LEU 431 HA LEU 431 -15.449 23.414 -12.598 298 HB2 LEU 431 2HB LEU 431 -12.501 24.070 -12.478 299 HB3 LEU 431 1HB LEU 431 -13.705 24.471 -11.269 300 HG LEU 431 HG LEU 431 -12.892 21.655 -11.996 301 HD11 LEU 431 1HD1 LEU 431 -11.708 21.644 -9.859 302 HD12 LEU 431 2HD1 LEU 431 -12.097 23.349 -9.632 303 HD13 LEU 431 3HD1 LEU 431 -11.043 22.854 -10.956 304 HD21 LEU 431 1HD2 LEU 431 -14.101 21.046 -9.961 305 HD22 LEU 431 2HD2 LEU 431 -15.166 21.829 -11.129 306 HD23 LEU 431 3HD2 LEU 431 -14.574 22.730 -9.733 307 H GLU 432 H GLU 432 -14.094 24.091 -15.487 308 HA GLU 432 HA GLU 432 -13.944 26.935 -15.427 309 HB2 GLU 432 2HB GLU 432 -14.343 25.224 -17.880 310 HB3 GLU 432 1HB GLU 432 -13.577 26.802 -17.779 311 HG2 GLU 432 2HG GLU 432 -11.737 25.473 -17.957 312 HG3 GLU 432 1HG GLU 432 -11.901 25.531 -16.203 313 H ALA 433 H ALA 433 -15.863 27.737 -14.624 314 HA ALA 433 HA ALA 433 -18.309 27.168 -16.147 315 HB1 ALA 433 1HB ALA 433 -17.989 28.489 -13.451 316 HB2 ALA 433 2HB ALA 433 -18.452 26.810 -13.730 317 HB3 ALA 433 3HB ALA 433 -19.519 28.117 -14.247 318 H ALA 434 H ALA 434 -15.847 29.317 -16.099 319 HA ALA 434 HA ALA 434 -17.188 31.236 -17.708 320 HB1 ALA 434 1HB ALA 434 -16.363 32.059 -14.921 321 HB2 ALA 434 2HB ALA 434 -17.981 32.130 -15.618 322 HB3 ALA 434 3HB ALA 434 -16.712 33.192 -16.226 323 H MET 1 2HT MET 1 -2.438 -9.481 -9.313 324 HA MET 1 HA MET 1 -0.561 -10.550 -8.332 325 HB2 MET 1 2HB MET 1 -1.871 -12.261 -7.084 326 HB3 MET 1 1HB MET 1 -2.160 -13.106 -8.598 327 HG2 MET 1 2HG MET 1 0.187 -13.563 -8.851 328 HG3 MET 1 1HG MET 1 0.565 -12.590 -7.430 329 HE1 MET 1 1HE MET 1 -0.882 -14.707 -4.511 330 HE2 MET 1 2HE MET 1 -1.577 -13.310 -5.334 331 HE3 MET 1 3HE MET 1 0.144 -13.340 -4.946 332 H ALA 2 H ALA 2 1.031 -10.838 -9.790 333 HA ALA 2 HA ALA 2 0.265 -11.959 -12.407 334 HB1 ALA 2 1HB ALA 2 2.072 -9.582 -11.988 335 HB2 ALA 2 2HB ALA 2 0.408 -9.517 -12.567 336 HB3 ALA 2 3HB ALA 2 1.647 -10.314 -13.536 337 H THR 3 H THR 3 3.446 -10.697 -11.542 338 HA THR 3 HA THR 3 4.502 -13.304 -10.916 339 HB THR 3 HB THR 3 5.462 -12.012 -13.478 340 HG1 THR 3 1HG THR 3 3.394 -13.749 -12.995 341 HG21 THR 3 1HG2 THR 3 6.690 -14.117 -13.769 342 HG22 THR 3 2HG2 THR 3 6.105 -14.669 -12.200 343 HG23 THR 3 3HG2 THR 3 7.179 -13.274 -12.300 344 H SER 4 H SER 4 6.558 -11.104 -12.635 345 HA SER 4 HA SER 4 8.358 -10.791 -10.504 346 HB2 SER 4 2HB SER 4 8.597 -8.660 -12.425 347 HB3 SER 4 1HB SER 4 9.636 -10.071 -12.205 348 HG SER 4 HG SER 4 8.731 -10.099 -14.278 349 H SER 5 H SER 5 5.632 -8.982 -11.591 350 HA SER 5 HA SER 5 5.682 -7.385 -9.184 351 HB2 SER 5 2HB SER 5 5.473 -6.145 -11.945 352 HB3 SER 5 1HB SER 5 5.308 -5.284 -10.413 353 HG SER 5 HG SER 5 7.580 -6.576 -10.270 354 H GLU 6 H GLU 6 3.518 -6.220 -8.975 355 HA GLU 6 HA GLU 6 1.445 -7.983 -10.082 356 HB2 GLU 6 2HB GLU 6 1.934 -6.909 -7.453 357 HB3 GLU 6 1HB GLU 6 0.347 -6.413 -8.025 358 HG2 GLU 6 2HG GLU 6 -0.012 -8.410 -6.881 359 HG3 GLU 6 1HG GLU 6 -0.047 -8.847 -8.589 360 H GLU 7 H GLU 7 -0.744 -6.872 -10.199 361 HA GLU 7 HA GLU 7 -0.652 -4.835 -12.130 362 HB2 GLU 7 2HB GLU 7 -3.026 -5.453 -10.366 363 HB3 GLU 7 1HB GLU 7 -3.041 -4.825 -12.008 364 HG2 GLU 7 2HG GLU 7 -3.569 -6.975 -12.459 365 HG3 GLU 7 1HG GLU 7 -1.814 -7.128 -12.494 366 H VAL 8 H VAL 8 -0.484 -2.688 -11.935 367 HA VAL 8 HA VAL 8 -0.200 -1.533 -9.308 368 HB VAL 8 HB VAL 8 -0.122 -0.106 -11.969 369 HG11 VAL 8 1HG1 VAL 8 1.054 0.625 -9.290 370 HG12 VAL 8 2HG1 VAL 8 -0.402 1.329 -9.996 371 HG13 VAL 8 3HG1 VAL 8 1.163 1.572 -10.773 372 HG21 VAL 8 1HG2 VAL 8 1.502 -1.929 -11.958 373 HG22 VAL 8 2HG2 VAL 8 2.154 -1.348 -10.425 374 HG23 VAL 8 3HG2 VAL 8 2.308 -0.362 -11.880 375 H LEU 9 H LEU 9 -1.887 -0.858 -8.192 376 HA LEU 9 HA LEU 9 -4.313 -0.015 -9.617 377 HB2 LEU 9 2HB LEU 9 -4.204 -0.404 -6.657 378 HB3 LEU 9 1HB LEU 9 -5.553 -0.620 -7.754 379 HG LEU 9 HG LEU 9 -3.184 -2.481 -7.697 380 HD11 LEU 9 1HD1 LEU 9 -4.563 -3.984 -6.358 381 HD12 LEU 9 2HD1 LEU 9 -5.818 -2.750 -6.257 382 HD13 LEU 9 3HD1 LEU 9 -4.248 -2.475 -5.503 383 HD21 LEU 9 1HD2 LEU 9 -5.981 -2.799 -8.781 384 HD22 LEU 9 2HD2 LEU 9 -4.698 -4.009 -8.835 385 HD23 LEU 9 3HD2 LEU 9 -4.532 -2.506 -9.743 386 H LEU 10 H LEU 10 -1.820 1.070 -7.428 387 HA LEU 10 HA LEU 10 -2.993 3.771 -7.547 388 HB2 LEU 10 2HB LEU 10 -3.338 2.427 -5.353 389 HB3 LEU 10 1HB LEU 10 -1.649 2.806 -5.056 390 HG LEU 10 HG LEU 10 -2.200 5.216 -5.264 391 HD11 LEU 10 1HD1 LEU 10 -5.037 4.214 -5.406 392 HD12 LEU 10 2HD1 LEU 10 -4.163 5.081 -6.670 393 HD13 LEU 10 3HD1 LEU 10 -4.562 5.894 -5.155 394 HD21 LEU 10 1HD2 LEU 10 -3.320 5.394 -3.106 395 HD22 LEU 10 2HD2 LEU 10 -2.106 4.114 -3.083 396 HD23 LEU 10 3HD2 LEU 10 -3.817 3.706 -3.218 397 H ILE 11 H ILE 11 -1.587 5.420 -7.806 398 HA ILE 11 HA ILE 11 1.287 4.802 -7.784 399 HB ILE 11 HB ILE 11 -0.143 6.460 -9.871 400 HG12 ILE 11 2HG1 ILE 11 1.282 3.804 -10.157 401 HG13 ILE 11 1HG1 ILE 11 -0.467 4.006 -10.118 402 HG21 ILE 11 1HG2 ILE 11 2.041 6.628 -10.955 403 HG22 ILE 11 2HG2 ILE 11 2.776 5.742 -9.620 404 HG23 ILE 11 3HG2 ILE 11 2.073 7.334 -9.339 405 HD11 ILE 11 1HD1 ILE 11 -0.401 5.276 -12.165 406 HD12 ILE 11 2HD1 ILE 11 0.421 3.732 -12.389 407 HD13 ILE 11 3HD1 ILE 11 1.362 5.208 -12.180 408 H VAL 12 H VAL 12 2.047 5.952 -6.137 409 HA VAL 12 HA VAL 12 1.073 8.693 -5.703 410 HB VAL 12 HB VAL 12 2.816 7.014 -3.889 411 HG11 VAL 12 1HG1 VAL 12 1.215 9.492 -3.280 412 HG12 VAL 12 2HG1 VAL 12 2.946 9.480 -3.619 413 HG13 VAL 12 3HG1 VAL 12 2.321 8.641 -2.199 414 HG21 VAL 12 1HG2 VAL 12 -0.158 7.489 -3.760 415 HG22 VAL 12 2HG2 VAL 12 0.805 6.626 -2.561 416 HG23 VAL 12 3HG2 VAL 12 0.628 5.971 -4.188 417 H LYS 13 H LYS 13 2.528 10.432 -5.695 418 HA LYS 13 HA LYS 13 5.155 9.800 -6.893 419 HB2 LYS 13 2HB LYS 13 3.253 12.079 -7.381 420 HB3 LYS 13 1HB LYS 13 4.958 12.217 -7.785 421 HG2 LYS 13 2HG LYS 13 3.851 11.593 -9.769 422 HG3 LYS 13 1HG LYS 13 4.677 10.146 -9.193 423 HD2 LYS 13 2HD LYS 13 2.467 9.542 -9.933 424 HD3 LYS 13 1HD LYS 13 2.541 9.391 -8.177 425 HE2 LYS 13 2HE LYS 13 1.708 11.978 -8.511 426 HE3 LYS 13 1HE LYS 13 0.915 11.153 -9.852 427 HZ1 LYS 13 1HZ LYS 13 0.308 9.453 -7.980 428 HZ2 LYS 13 2HZ LYS 13 -0.609 10.857 -8.197 429 HZ3 LYS 13 3HZ LYS 13 0.547 10.786 -6.955 430 H LYS 14 H LYS 14 6.892 11.289 -6.452 431 HA LYS 14 HA LYS 14 8.347 12.146 -4.951 432 HB2 LYS 14 2HB LYS 14 6.009 13.920 -5.104 433 HB3 LYS 14 1HB LYS 14 7.166 14.278 -3.824 434 HG2 LYS 14 2HG LYS 14 8.798 14.885 -5.293 435 HG3 LYS 14 1HG LYS 14 8.228 13.787 -6.550 436 HD2 LYS 14 2HD LYS 14 7.696 15.859 -7.430 437 HD3 LYS 14 1HD LYS 14 6.183 15.384 -6.659 438 HE2 LYS 14 2HE LYS 14 8.179 16.962 -5.103 439 HE3 LYS 14 1HE LYS 14 7.182 17.784 -6.304 440 HZ1 LYS 14 1HZ LYS 14 5.951 17.978 -4.380 441 HZ2 LYS 14 2HZ LYS 14 6.353 16.426 -3.825 442 HZ3 LYS 14 3HZ LYS 14 5.252 16.608 -5.104 443 H VAL 15 H VAL 15 7.931 10.080 -3.732 444 HA VAL 15 HA VAL 15 6.985 10.668 -1.002 445 HB VAL 15 HB VAL 15 7.187 7.995 -2.406 446 HG11 VAL 15 1HG1 VAL 15 6.231 8.651 0.379 447 HG12 VAL 15 2HG1 VAL 15 7.701 7.771 -0.039 448 HG13 VAL 15 3HG1 VAL 15 6.123 7.071 -0.397 449 HG21 VAL 15 1HG2 VAL 15 4.747 7.969 -2.218 450 HG22 VAL 15 2HG2 VAL 15 5.315 9.331 -3.185 451 HG23 VAL 15 3HG2 VAL 15 4.789 9.589 -1.521 452 H ARG 16 H ARG 16 8.563 10.923 0.398 453 HA ARG 16 HA ARG 16 11.260 10.031 -0.240 454 HB2 ARG 16 2HB ARG 16 10.026 11.881 1.771 455 HB3 ARG 16 1HB ARG 16 11.608 11.202 2.114 456 HG2 ARG 16 2HG ARG 16 12.626 12.363 0.423 457 HG3 ARG 16 1HG ARG 16 11.134 12.524 -0.510 458 HD2 ARG 16 2HD ARG 16 10.281 14.159 1.051 459 HD3 ARG 16 1HD ARG 16 11.666 13.921 2.114 460 HE ARG 16 HE ARG 16 12.699 15.533 0.889 461 HH11 ARG 16 1HH1 ARG 16 10.386 13.948 -1.207 462 HH12 ARG 16 2HH1 ARG 16 11.002 14.676 -2.662 463 HH21 ARG 16 1HH2 ARG 16 13.437 16.579 -1.009 464 HH22 ARG 16 2HH2 ARG 16 12.704 16.207 -2.536 465 H GLN 17 H GLN 17 12.014 8.158 0.450 466 HA GLN 17 HA GLN 17 10.845 6.956 2.875 467 HB2 GLN 17 2HB GLN 17 10.823 5.684 0.638 468 HB3 GLN 17 1HB GLN 17 12.565 5.551 0.821 469 HG2 GLN 17 2HG GLN 17 10.880 4.666 3.089 470 HG3 GLN 17 1HG GLN 17 10.892 3.667 1.639 471 HE21 GLN 17 1HE2 GLN 17 13.642 4.346 0.970 472 HE22 GLN 17 2HE2 GLN 17 14.635 3.485 2.087 473 H LYS 18 H LYS 18 12.029 7.708 4.522 474 HA LYS 18 HA LYS 18 13.784 8.564 5.695 475 HB2 LYS 18 2HB LYS 18 14.329 5.745 5.003 476 HB3 LYS 18 1HB LYS 18 15.601 6.637 5.837 477 HG2 LYS 18 2HG LYS 18 13.442 7.307 7.327 478 HG3 LYS 18 1HG LYS 18 12.991 5.684 6.807 479 HD2 LYS 18 2HD LYS 18 14.130 5.301 8.795 480 HD3 LYS 18 1HD LYS 18 15.370 5.028 7.571 481 HE2 LYS 18 2HE LYS 18 16.352 6.340 9.297 482 HE3 LYS 18 1HE LYS 18 16.104 7.397 7.910 483 HZ1 LYS 18 1HZ LYS 18 14.253 8.402 8.953 484 HZ2 LYS 18 2HZ LYS 18 15.481 8.356 10.113 485 HZ3 LYS 18 3HZ LYS 18 14.196 7.240 10.189 486 H LYS 19 H LYS 19 14.119 10.139 3.927 487 HA LYS 19 HA LYS 19 15.462 11.501 2.792 488 HB2 LYS 19 2HB LYS 19 17.303 9.852 4.327 489 HB3 LYS 19 1HB LYS 19 18.034 10.734 2.985 490 HG2 LYS 19 2HG LYS 19 16.475 11.858 5.305 491 HG3 LYS 19 1HG LYS 19 18.190 12.089 4.946 492 HD2 LYS 19 2HD LYS 19 17.769 13.735 3.488 493 HD3 LYS 19 1HD LYS 19 16.463 12.830 2.723 494 HE2 LYS 19 2HE LYS 19 16.353 14.641 5.113 495 HE3 LYS 19 1HE LYS 19 15.446 14.750 3.606 496 HZ1 LYS 19 1HZ LYS 19 14.038 13.959 5.384 497 HZ2 LYS 19 2HZ LYS 19 15.099 12.678 5.705 498 HZ3 LYS 19 3HZ LYS 19 14.247 12.717 4.246 499 H GLN 20 H GLN 20 14.245 9.487 1.329 500 HA GLN 20 HA GLN 20 16.017 9.499 -0.992 501 HB2 GLN 20 2HB GLN 20 14.693 7.051 0.182 502 HB3 GLN 20 1HB GLN 20 15.154 7.133 -1.512 503 HG2 GLN 20 2HG GLN 20 17.372 6.981 -1.062 504 HG3 GLN 20 1HG GLN 20 17.226 7.798 0.493 505 HE21 GLN 20 1HE2 GLN 20 16.738 6.618 2.318 506 HE22 GLN 20 2HE2 GLN 20 16.799 4.892 2.351 507 H ASP 21 H ASP 21 14.880 10.537 -2.535 508 HA ASP 21 HA ASP 21 12.009 10.761 -2.307 509 HB2 ASP 21 2HB ASP 21 13.819 12.509 -3.216 510 HB3 ASP 21 1HB ASP 21 13.413 11.736 -4.746 511 H GLY 22 H GLY 22 10.477 9.874 -3.667 512 HA2 GLY 22 2HA GLY 22 11.134 8.459 -6.032 513 HA3 GLY 22 1HA GLY 22 10.969 7.339 -4.690 514 H ALA 23 H ALA 23 9.262 6.453 -5.996 515 HA ALA 23 HA ALA 23 6.719 7.865 -5.547 516 HB1 ALA 23 1HB ALA 23 7.537 6.321 -8.008 517 HB2 ALA 23 2HB ALA 23 7.224 8.054 -7.899 518 HB3 ALA 23 3HB ALA 23 5.904 6.904 -7.683 519 H LEU 24 H LEU 24 5.003 6.579 -4.928 520 HA LEU 24 HA LEU 24 5.730 3.838 -4.131 521 HB2 LEU 24 2HB LEU 24 5.098 5.526 -2.361 522 HB3 LEU 24 1HB LEU 24 3.479 5.512 -3.037 523 HG LEU 24 HG LEU 24 3.530 2.983 -2.634 524 HD11 LEU 24 1HD1 LEU 24 5.902 2.740 -2.254 525 HD12 LEU 24 2HD1 LEU 24 4.999 2.251 -0.821 526 HD13 LEU 24 3HD1 LEU 24 5.810 3.816 -0.860 527 HD21 LEU 24 1HD2 LEU 24 2.829 3.264 -0.303 528 HD22 LEU 24 2HD2 LEU 24 2.157 4.524 -1.338 529 HD23 LEU 24 3HD2 LEU 24 3.532 4.881 -0.291 530 H TYR 25 H TYR 25 4.751 2.194 -5.094 531 HA TYR 25 HA TYR 25 2.297 2.756 -6.632 532 HB2 TYR 25 2HB TYR 25 4.613 0.924 -7.251 533 HB3 TYR 25 1HB TYR 25 3.056 0.765 -8.050 534 HD1 TYR 25 1HD TYR 25 2.927 1.697 -10.139 535 HD2 TYR 25 2HD TYR 25 5.476 3.523 -7.265 536 HE1 TYR 25 1HE TYR 25 3.617 3.358 -11.814 537 HE2 TYR 25 2HE TYR 25 6.169 5.191 -8.932 538 HH TYR 25 HH TYR 25 6.210 5.610 -11.213 539 H LEU 26 H LEU 26 0.565 1.830 -5.765 540 HA LEU 26 HA LEU 26 0.863 -0.457 -3.997 541 HB2 LEU 26 2HB LEU 26 -1.558 1.146 -4.803 542 HB3 LEU 26 1HB LEU 26 -1.628 -0.252 -3.750 543 HG LEU 26 HG LEU 26 -0.655 2.487 -3.200 544 HD11 LEU 26 1HD1 LEU 26 -1.727 2.013 -1.034 545 HD12 LEU 26 2HD1 LEU 26 -2.100 0.386 -1.601 546 HD13 LEU 26 3HD1 LEU 26 -2.822 1.783 -2.397 547 HD21 LEU 26 1HD2 LEU 26 0.436 0.071 -1.790 548 HD22 LEU 26 2HD2 LEU 26 0.688 1.754 -1.323 549 HD23 LEU 26 3HD2 LEU 26 1.346 1.150 -2.845 550 H MET 27 H MET 27 0.537 -2.501 -4.603 551 HA MET 27 HA MET 27 -0.717 -2.915 -7.228 552 HB2 MET 27 2HB MET 27 1.198 -4.912 -6.147 553 HB3 MET 27 1HB MET 27 0.842 -4.466 -7.810 554 HG2 MET 27 2HG MET 27 2.027 -2.306 -7.391 555 HG3 MET 27 1HG MET 27 2.542 -2.972 -5.841 556 HE1 MET 27 1HE MET 27 4.015 -1.937 -8.740 557 HE2 MET 27 2HE MET 27 2.935 -2.975 -9.673 558 HE3 MET 27 3HE MET 27 4.673 -3.281 -9.676 559 H ALA 28 H ALA 28 -1.690 -5.022 -7.513 560 HA ALA 28 HA ALA 28 -3.776 -5.512 -5.870 561 HB1 ALA 28 1HB ALA 28 -3.461 -6.388 -8.158 562 HB2 ALA 28 2HB ALA 28 -4.113 -7.572 -7.023 563 HB3 ALA 28 3HB ALA 28 -2.414 -7.643 -7.493 564 H GLU 29 H GLU 29 -0.651 -7.285 -5.643 565 HA GLU 29 HA GLU 29 -1.649 -8.345 -3.076 566 HB2 GLU 29 2HB GLU 29 0.576 -9.710 -4.500 567 HB3 GLU 29 1HB GLU 29 -0.659 -10.385 -3.453 568 HG2 GLU 29 2HG GLU 29 -1.058 -9.474 -6.292 569 HG3 GLU 29 1HG GLU 29 -0.875 -11.141 -5.760 570 H ARG 30 H ARG 30 0.399 -6.014 -4.139 571 HA ARG 30 HA ARG 30 2.004 -6.215 -1.752 572 HB2 ARG 30 2HB ARG 30 4.160 -6.405 -2.750 573 HB3 ARG 30 1HB ARG 30 3.176 -7.720 -3.373 574 HG2 ARG 30 2HG ARG 30 2.802 -6.425 -5.441 575 HG3 ARG 30 1HG ARG 30 3.866 -5.163 -4.813 576 HD2 ARG 30 2HD ARG 30 5.397 -6.326 -6.022 577 HD3 ARG 30 1HD ARG 30 5.501 -7.239 -4.519 578 HE ARG 30 HE ARG 30 3.536 -8.500 -5.967 579 HH11 ARG 30 1HH1 ARG 30 6.925 -7.753 -6.453 580 HH12 ARG 30 2HH1 ARG 30 7.189 -9.070 -7.547 581 HH21 ARG 30 1HH2 ARG 30 3.865 -10.227 -7.382 582 HH22 ARG 30 2HH2 ARG 30 5.439 -10.501 -8.073 583 H ILE 31 H ILE 31 3.618 -4.455 -1.588 584 HA ILE 31 HA ILE 31 2.760 -2.044 -3.042 585 HB ILE 31 HB ILE 31 1.890 -1.741 -0.854 586 HG12 ILE 31 2HG1 ILE 31 4.589 -0.374 -0.850 587 HG13 ILE 31 1HG1 ILE 31 3.187 0.185 -1.755 588 HG21 ILE 31 1HG2 ILE 31 4.552 -2.619 0.249 589 HG22 ILE 31 2HG2 ILE 31 3.070 -3.575 0.238 590 HG23 ILE 31 3HG2 ILE 31 3.159 -2.095 1.194 591 HD11 ILE 31 1HD1 ILE 31 3.306 -0.085 1.240 592 HD12 ILE 31 2HD1 ILE 31 1.978 0.587 0.292 593 HD13 ILE 31 3HD1 ILE 31 3.534 1.416 0.341 594 H ALA 32 H ALA 32 4.410 -0.919 -3.977 595 HA ALA 32 HA ALA 32 7.134 -1.578 -3.100 596 HB1 ALA 32 1HB ALA 32 6.231 -1.484 -5.970 597 HB2 ALA 32 2HB ALA 32 6.639 -2.937 -5.057 598 HB3 ALA 32 3HB ALA 32 7.884 -1.739 -5.408 599 H TRP 33 H TRP 33 8.716 -0.045 -3.539 600 HA TRP 33 HA TRP 33 7.773 2.619 -4.334 601 HB2 TRP 33 2HB TRP 33 7.810 2.601 -1.895 602 HB3 TRP 33 1HB TRP 33 9.436 1.951 -1.894 603 HD1 TRP 33 HD TRP 33 7.524 5.213 -2.347 604 HE1 TRP 33 1HE TRP 33 9.205 7.170 -2.314 605 HE3 TRP 33 3HE TRP 33 11.887 2.545 -2.436 606 HZ2 TRP 33 2HZ TRP 33 11.994 7.524 -2.328 607 HZ3 TRP 33 3HZ TRP 33 14.018 3.774 -2.423 608 HH2 TRP 33 HH TRP 33 14.066 6.212 -2.372 609 H ALA 34 H ALA 34 9.160 3.718 -5.602 610 HA ALA 34 HA ALA 34 11.906 2.716 -5.926 611 HB1 ALA 34 1HB ALA 34 11.709 2.949 -8.365 612 HB2 ALA 34 2HB ALA 34 9.999 3.340 -8.185 613 HB3 ALA 34 3HB ALA 34 10.590 1.739 -7.739 614 HA PRO 35 HA PRO 35 12.850 7.042 -5.436 615 HB2 PRO 35 2HB PRO 35 15.094 6.476 -7.313 616 HB3 PRO 35 1HB PRO 35 15.131 7.174 -5.690 617 HG2 PRO 35 2HG PRO 35 15.942 4.669 -6.121 618 HG3 PRO 35 1HG PRO 35 15.048 5.105 -4.652 619 HD2 PRO 35 2HD PRO 35 14.094 3.689 -7.105 620 HD3 PRO 35 1HD PRO 35 13.668 3.411 -5.403 621 H GLU 36 H GLU 36 12.619 8.955 -6.625 622 HA GLU 36 HA GLU 36 11.076 8.801 -8.968 623 HB2 GLU 36 2HB GLU 36 12.441 11.070 -7.558 624 HB3 GLU 36 1HB GLU 36 11.614 11.324 -9.092 625 HG2 GLU 36 2HG GLU 36 10.300 10.063 -6.711 626 HG3 GLU 36 1HG GLU 36 10.281 11.798 -7.016 627 H GLY 37 H GLY 37 11.549 8.752 -11.027 628 HA2 GLY 37 2HA GLY 37 12.789 9.102 -12.976 629 HA3 GLY 37 1HA GLY 37 14.153 9.607 -11.988 630 H LYS 38 H LYS 38 13.130 6.873 -10.545 631 HA LYS 38 HA LYS 38 15.131 5.305 -12.009 632 HB2 LYS 38 2HB LYS 38 15.318 5.560 -9.520 633 HB3 LYS 38 1HB LYS 38 13.839 4.620 -9.368 634 HG2 LYS 38 2HG LYS 38 15.969 3.341 -9.038 635 HG3 LYS 38 1HG LYS 38 14.873 2.679 -10.252 636 HD2 LYS 38 2HD LYS 38 16.229 3.935 -11.979 637 HD3 LYS 38 1HD LYS 38 17.404 4.248 -10.700 638 HE2 LYS 38 2HE LYS 38 18.034 2.036 -10.553 639 HE3 LYS 38 1HE LYS 38 16.499 1.449 -11.192 640 HZ1 LYS 38 1HZ LYS 38 18.530 2.890 -12.809 641 HZ2 LYS 38 2HZ LYS 38 17.119 2.143 -13.381 642 HZ3 LYS 38 3HZ LYS 38 18.383 1.207 -12.751 643 H ASP 39 H ASP 39 14.718 3.506 -13.074 644 HA ASP 39 HA ASP 39 11.966 2.851 -13.697 645 HB2 ASP 39 2HB ASP 39 12.937 1.527 -15.494 646 HB3 ASP 39 1HB ASP 39 13.700 3.116 -15.460 647 H ARG 40 H ARG 40 13.609 1.965 -11.129 648 HA ARG 40 HA ARG 40 12.512 -0.735 -11.163 649 HB2 ARG 40 2HB ARG 40 15.144 -0.455 -11.737 650 HB3 ARG 40 1HB ARG 40 15.215 -0.577 -9.984 651 HG2 ARG 40 2HG ARG 40 15.500 -2.749 -11.037 652 HG3 ARG 40 1HG ARG 40 14.028 -2.699 -10.066 653 HD2 ARG 40 2HD ARG 40 13.735 -3.829 -12.258 654 HD3 ARG 40 1HD ARG 40 12.671 -2.442 -12.030 655 HE ARG 40 HE ARG 40 14.077 -1.189 -13.537 656 HH11 ARG 40 1HH1 ARG 40 14.628 -4.646 -13.459 657 HH12 ARG 40 2HH1 ARG 40 15.404 -4.686 -15.005 658 HH21 ARG 40 1HH2 ARG 40 15.107 -1.215 -15.554 659 HH22 ARG 40 2HH2 ARG 40 15.674 -2.728 -16.210 660 H PHE 41 H PHE 41 11.672 -1.342 -9.271 661 HA PHE 41 HA PHE 41 11.525 0.572 -7.139 662 HB2 PHE 41 2HB PHE 41 10.458 -2.260 -7.268 663 HB3 PHE 41 1HB PHE 41 10.019 -1.045 -6.075 664 HD1 PHE 41 1HD PHE 41 8.609 0.851 -6.695 665 HD2 PHE 41 2HD PHE 41 9.531 -2.234 -9.475 666 HE1 PHE 41 1HE PHE 41 6.763 1.603 -8.137 667 HE2 PHE 41 2HE PHE 41 7.689 -1.486 -10.924 668 HZ PHE 41 HZ PHE 41 6.303 0.436 -10.252 669 H THR 42 H THR 42 12.698 0.621 -5.318 670 HA THR 42 HA THR 42 14.697 -1.469 -4.913 671 HB THR 42 HB THR 42 15.333 0.280 -3.013 672 HG1 THR 42 1HG THR 42 14.353 2.145 -3.219 673 HG21 THR 42 1HG2 THR 42 15.868 0.842 -5.933 674 HG22 THR 42 2HG2 THR 42 16.710 -0.378 -4.976 675 HG23 THR 42 3HG2 THR 42 16.865 1.328 -4.561 676 H ILE 43 H ILE 43 11.776 -0.211 -3.592 677 HA ILE 43 HA ILE 43 12.024 -1.968 -1.236 678 HB ILE 43 HB ILE 43 10.240 0.437 -1.640 679 HG12 ILE 43 2HG1 ILE 43 12.630 0.990 -1.263 680 HG13 ILE 43 1HG1 ILE 43 11.588 1.544 0.043 681 HG21 ILE 43 1HG2 ILE 43 9.696 0.130 0.776 682 HG22 ILE 43 2HG2 ILE 43 10.512 -1.432 0.702 683 HG23 ILE 43 3HG2 ILE 43 9.078 -1.139 -0.281 684 HD11 ILE 43 1HD1 ILE 43 13.581 0.639 0.982 685 HD12 ILE 43 2HD1 ILE 43 13.399 -0.852 0.057 686 HD13 ILE 43 3HD1 ILE 43 12.251 -0.463 1.338 687 H SER 44 H SER 44 10.877 -3.798 -1.414 688 HA SER 44 HA SER 44 8.275 -3.682 -2.753 689 HB2 SER 44 2HB SER 44 10.303 -4.712 -4.106 690 HB3 SER 44 1HB SER 44 9.987 -6.113 -3.086 691 HG SER 44 HG SER 44 8.104 -4.802 -4.761 692 H HIS 45 H HIS 45 6.824 -4.183 -1.258 693 HA HIS 45 HA HIS 45 7.437 -6.361 0.632 694 HB2 HIS 45 2HB HIS 45 6.144 -3.697 1.175 695 HB3 HIS 45 1HB HIS 45 5.878 -5.082 2.225 696 HD1 HIS 45 1HD HIS 45 8.357 -6.158 3.095 697 HD2 HIS 45 2HD HIS 45 8.136 -2.160 2.005 698 HE1 HIS 45 1HE HIS 45 10.309 -5.009 4.214 699 H MET 46 H MET 46 6.003 -7.937 0.694 700 HA MET 46 HA MET 46 3.556 -7.623 -0.863 701 HB2 MET 46 2HB MET 46 4.391 -10.077 0.695 702 HB3 MET 46 1HB MET 46 3.310 -9.989 -0.686 703 HG2 MET 46 2HG MET 46 6.242 -9.367 -0.861 704 HG3 MET 46 1HG MET 46 5.583 -10.983 -1.102 705 HE1 MET 46 1HE MET 46 3.366 -10.513 -4.289 706 HE2 MET 46 2HE MET 46 2.846 -10.417 -2.606 707 HE3 MET 46 3HE MET 46 3.993 -11.660 -3.105 708 H TYR 47 H TYR 47 1.476 -7.811 0.133 709 HA TYR 47 HA TYR 47 1.355 -6.760 2.763 710 HB2 TYR 47 2HB TYR 47 -0.917 -8.180 1.361 711 HB3 TYR 47 1HB TYR 47 -1.029 -7.003 2.661 712 HD1 TYR 47 1HD TYR 47 0.676 -4.834 1.867 713 HD2 TYR 47 2HD TYR 47 -1.870 -7.233 -0.552 714 HE1 TYR 47 1HE TYR 47 0.505 -2.999 0.241 715 HE2 TYR 47 2HE TYR 47 -2.046 -5.401 -2.185 716 HH TYR 47 HH TYR 47 -1.302 -3.394 -2.783 717 H ALA 48 H ALA 48 1.904 -9.846 1.595 718 HA ALA 48 HA ALA 48 0.826 -11.377 3.748 719 HB1 ALA 48 1HB ALA 48 1.224 -12.360 1.540 720 HB2 ALA 48 2HB ALA 48 2.106 -13.224 2.798 721 HB3 ALA 48 3HB ALA 48 2.957 -12.102 1.738 722 H ASP 49 H ASP 49 3.528 -9.353 3.405 723 HA ASP 49 HA ASP 49 4.951 -10.667 5.620 724 HB2 ASP 49 2HB ASP 49 6.116 -8.302 4.221 725 HB3 ASP 49 1HB ASP 49 6.924 -9.711 4.891 726 H ILE 50 H ILE 50 2.764 -8.243 5.004 727 HA ILE 50 HA ILE 50 3.768 -6.426 7.061 728 HB ILE 50 HB ILE 50 1.306 -6.143 5.327 729 HG12 ILE 50 2HG1 ILE 50 4.006 -4.821 4.993 730 HG13 ILE 50 1HG1 ILE 50 3.478 -6.222 4.065 731 HG21 ILE 50 1HG2 ILE 50 1.176 -4.841 7.368 732 HG22 ILE 50 2HG2 ILE 50 1.430 -3.775 5.984 733 HG23 ILE 50 3HG2 ILE 50 2.774 -4.160 7.060 734 HD11 ILE 50 1HD1 ILE 50 3.191 -4.188 2.790 735 HD12 ILE 50 2HD1 ILE 50 2.189 -3.502 4.069 736 HD13 ILE 50 3HD1 ILE 50 1.623 -4.903 3.160 737 H LYS 51 H LYS 51 2.801 -6.146 9.016 738 HA LYS 51 HA LYS 51 0.731 -8.086 9.760 739 HB2 LYS 51 2HB LYS 51 2.805 -8.092 11.068 740 HB3 LYS 51 1HB LYS 51 2.573 -6.398 11.465 741 HG2 LYS 51 2HG LYS 51 0.767 -6.862 12.879 742 HG3 LYS 51 1HG LYS 51 0.556 -8.484 12.218 743 HD2 LYS 51 2HD LYS 51 1.609 -8.451 14.472 744 HD3 LYS 51 1HD LYS 51 2.599 -9.230 13.238 745 HE2 LYS 51 2HE LYS 51 3.934 -7.780 14.696 746 HE3 LYS 51 1HE LYS 51 3.952 -7.222 13.025 747 HZ1 LYS 51 1HZ LYS 51 3.314 -5.744 15.253 748 HZ2 LYS 51 2HZ LYS 51 1.824 -6.020 14.493 749 HZ3 LYS 51 3HZ LYS 51 3.091 -5.288 13.636 750 H CYS 52 H CYS 52 1.494 -4.651 9.868 751 HA CYS 52 HA CYS 52 -1.260 -3.905 9.700 752 HB2 CYS 52 2HB CYS 52 -0.941 -2.390 11.836 753 HB3 CYS 52 1HB CYS 52 -1.525 -4.042 11.994 754 HG CYS 52 HG CYS 52 0.194 -4.573 13.830 755 H GLN 53 H GLN 53 -1.406 -1.370 9.722 756 HA GLN 53 HA GLN 53 1.170 -0.353 8.740 757 HB2 GLN 53 2HB GLN 53 -0.336 1.039 7.177 758 HB3 GLN 53 1HB GLN 53 -0.147 -0.655 6.797 759 HG2 GLN 53 2HG GLN 53 -2.284 -1.170 7.377 760 HG3 GLN 53 1HG GLN 53 -2.420 0.177 8.505 761 HE21 GLN 53 1HE2 GLN 53 -4.342 -0.499 6.591 762 HE22 GLN 53 2HE2 GLN 53 -4.453 0.809 5.463 763 H LYS 54 H LYS 54 1.214 2.096 8.943 764 HA LYS 54 HA LYS 54 -0.633 3.190 10.946 765 HB2 LYS 54 2HB LYS 54 2.335 3.632 11.298 766 HB3 LYS 54 1HB LYS 54 1.042 3.887 12.453 767 HG2 LYS 54 2HG LYS 54 1.025 1.146 11.913 768 HG3 LYS 54 1HG LYS 54 2.724 1.597 12.067 769 HD2 LYS 54 2HD LYS 54 2.141 2.756 14.200 770 HD3 LYS 54 1HD LYS 54 0.516 2.087 14.059 771 HE2 LYS 54 2HE LYS 54 3.079 0.519 14.267 772 HE3 LYS 54 1HE LYS 54 1.885 0.736 15.543 773 HZ1 LYS 54 1HZ LYS 54 0.484 -0.758 14.624 774 HZ2 LYS 54 2HZ LYS 54 1.915 -1.370 13.953 775 HZ3 LYS 54 3HZ LYS 54 0.917 -0.366 13.032 776 H ILE 55 H ILE 55 -0.424 5.553 11.026 777 HA ILE 55 HA ILE 55 0.946 6.659 8.624 778 HB ILE 55 HB ILE 55 -1.159 8.185 8.485 779 HG12 ILE 55 2HG1 ILE 55 -2.182 5.840 10.063 780 HG13 ILE 55 1HG1 ILE 55 -2.110 7.513 10.579 781 HG21 ILE 55 1HG2 ILE 55 -0.580 6.556 6.748 782 HG22 ILE 55 2HG2 ILE 55 -2.322 6.588 7.023 783 HG23 ILE 55 3HG2 ILE 55 -1.348 5.278 7.690 784 HD11 ILE 55 1HD1 ILE 55 -4.352 6.819 10.046 785 HD12 ILE 55 2HD1 ILE 55 -3.852 6.433 8.398 786 HD13 ILE 55 3HD1 ILE 55 -3.800 8.102 8.970 787 H SER 56 H SER 56 2.048 8.632 9.038 788 HA SER 56 HA SER 56 1.798 9.698 11.688 789 HB2 SER 56 2HB SER 56 3.136 11.648 10.838 790 HB3 SER 56 1HB SER 56 3.926 10.096 10.574 791 HG SER 56 HG SER 56 3.355 11.943 8.797 792 HA PRO 57 HA PRO 57 -2.256 11.079 11.043 793 HB2 PRO 57 2HB PRO 57 -1.675 12.877 13.314 794 HB3 PRO 57 1HB PRO 57 -2.893 11.609 13.147 795 HG2 PRO 57 2HG PRO 57 -0.727 11.285 14.676 796 HG3 PRO 57 1HG PRO 57 -1.431 9.944 13.752 797 HD2 PRO 57 2HD PRO 57 0.980 11.596 13.161 798 HD3 PRO 57 1HD PRO 57 0.722 9.856 12.940 799 H GLU 58 H GLU 58 -3.514 13.044 10.852 800 HA GLU 58 HA GLU 58 -2.288 15.059 9.295 801 HB2 GLU 58 2HB GLU 58 -4.695 16.120 10.307 802 HB3 GLU 58 1HB GLU 58 -4.449 15.365 8.743 803 HG2 GLU 58 2HG GLU 58 -5.243 13.892 11.249 804 HG3 GLU 58 1HG GLU 58 -6.366 14.450 10.012 805 H GLY 59 H GLY 59 -1.432 16.987 9.926 806 HA2 GLY 59 2HA GLY 59 -1.339 18.797 11.586 807 HA3 GLY 59 1HA GLY 59 -1.474 17.553 12.826 808 H LYS 60 H LYS 60 0.341 15.688 11.447 809 HA LYS 60 HA LYS 60 2.834 16.608 12.449 810 HB2 LYS 60 2HB LYS 60 2.010 14.313 10.676 811 HB3 LYS 60 1HB LYS 60 3.709 14.734 10.771 812 HG2 LYS 60 2HG LYS 60 2.058 14.094 13.205 813 HG3 LYS 60 1HG LYS 60 2.909 12.864 12.275 814 HD2 LYS 60 2HD LYS 60 4.687 15.039 12.891 815 HD3 LYS 60 1HD LYS 60 3.911 14.463 14.363 816 HE2 LYS 60 2HE LYS 60 4.892 12.363 14.221 817 HE3 LYS 60 1HE LYS 60 5.114 12.460 12.474 818 HZ1 LYS 60 1HZ LYS 60 6.567 14.438 13.974 819 HZ2 LYS 60 2HZ LYS 60 7.077 13.437 12.710 820 HZ3 LYS 60 3HZ LYS 60 7.034 12.845 14.303 821 H ALA 61 H ALA 61 4.639 17.446 11.213 822 HA ALA 61 HA ALA 61 3.874 19.227 9.147 823 HB1 ALA 61 1HB ALA 61 6.252 19.769 8.977 824 HB2 ALA 61 2HB ALA 61 6.647 18.368 9.972 825 HB3 ALA 61 3HB ALA 61 5.730 19.709 10.660 826 H LYS 62 H LYS 62 4.166 16.006 8.962 827 HA LYS 62 HA LYS 62 4.389 16.061 6.094 828 HB2 LYS 62 2HB LYS 62 6.029 13.931 6.566 829 HB3 LYS 62 1HB LYS 62 6.575 15.533 6.091 830 HG2 LYS 62 2HG LYS 62 6.234 15.482 8.918 831 HG3 LYS 62 1HG LYS 62 7.206 14.093 8.426 832 HD2 LYS 62 2HD LYS 62 7.741 16.939 7.584 833 HD3 LYS 62 1HD LYS 62 8.549 16.122 8.924 834 HE2 LYS 62 2HE LYS 62 8.615 15.306 6.022 835 HE3 LYS 62 1HE LYS 62 9.933 16.041 6.935 836 HZ1 LYS 62 1HZ LYS 62 10.566 13.982 7.385 837 HZ2 LYS 62 2HZ LYS 62 9.114 13.307 6.817 838 HZ3 LYS 62 3HZ LYS 62 9.219 13.865 8.416 839 H ILE 63 H ILE 63 2.663 14.999 5.513 840 HA ILE 63 HA ILE 63 1.385 13.043 7.164 841 HB ILE 63 HB ILE 63 0.837 13.782 4.281 842 HG12 ILE 63 2HG1 ILE 63 -1.115 14.825 6.066 843 HG13 ILE 63 1HG1 ILE 63 0.467 15.271 6.696 844 HG21 ILE 63 1HG2 ILE 63 -0.767 12.274 6.325 845 HG22 ILE 63 2HG2 ILE 63 -0.224 11.721 4.740 846 HG23 ILE 63 3HG2 ILE 63 -1.470 12.963 4.862 847 HD11 ILE 63 1HD1 ILE 63 -0.417 16.996 5.244 848 HD12 ILE 63 2HD1 ILE 63 -0.563 15.834 3.926 849 HD13 ILE 63 3HD1 ILE 63 1.031 16.276 4.541 850 H GLN 64 H GLN 64 2.140 10.974 7.357 851 HA GLN 64 HA GLN 64 3.320 9.795 4.908 852 HB2 GLN 64 2HB GLN 64 4.602 9.622 7.636 853 HB3 GLN 64 1HB GLN 64 5.227 8.950 6.139 854 HG2 GLN 64 2HG GLN 64 5.941 10.975 5.361 855 HG3 GLN 64 1HG GLN 64 4.731 11.876 6.271 856 HE21 GLN 64 1HE2 GLN 64 5.245 10.711 8.799 857 HE22 GLN 64 2HE2 GLN 64 6.785 11.285 9.344 858 H LEU 65 H LEU 65 3.802 7.458 5.146 859 HA LEU 65 HA LEU 65 1.829 6.081 6.849 860 HB2 LEU 65 2HB LEU 65 1.292 6.058 4.394 861 HB3 LEU 65 1HB LEU 65 2.789 5.191 4.126 862 HG LEU 65 HG LEU 65 1.701 3.571 5.961 863 HD11 LEU 65 1HD1 LEU 65 -0.315 4.842 6.253 864 HD12 LEU 65 2HD1 LEU 65 -0.685 3.294 5.493 865 HD13 LEU 65 3HD1 LEU 65 -0.649 4.767 4.523 866 HD21 LEU 65 1HD2 LEU 65 1.034 3.514 3.035 867 HD22 LEU 65 2HD2 LEU 65 0.953 2.150 4.150 868 HD23 LEU 65 3HD2 LEU 65 2.508 2.894 3.778 869 H GLN 66 H GLN 66 2.508 4.168 7.806 870 HA GLN 66 HA GLN 66 5.344 3.440 7.507 871 HB2 GLN 66 2HB GLN 66 4.930 4.689 9.588 872 HB3 GLN 66 1HB GLN 66 3.700 3.525 10.041 873 HG2 GLN 66 2HG GLN 66 5.323 1.783 10.255 874 HG3 GLN 66 1HG GLN 66 6.593 2.826 9.614 875 HE21 GLN 66 1HE2 GLN 66 7.507 4.370 10.908 876 HE22 GLN 66 2HE2 GLN 66 7.251 4.434 12.621 877 H LEU 67 H LEU 67 5.567 1.380 6.885 878 HA LEU 67 HA LEU 67 3.315 -0.452 7.230 879 HB2 LEU 67 2HB LEU 67 5.845 -0.589 5.606 880 HB3 LEU 67 1HB LEU 67 4.782 -1.969 5.803 881 HG LEU 67 HG LEU 67 4.146 0.641 4.442 882 HD11 LEU 67 1HD1 LEU 67 4.222 -2.198 3.433 883 HD12 LEU 67 2HD1 LEU 67 5.489 -0.997 3.185 884 HD13 LEU 67 3HD1 LEU 67 3.891 -0.750 2.481 885 HD21 LEU 67 1HD2 LEU 67 1.933 -0.268 4.013 886 HD22 LEU 67 2HD2 LEU 67 2.212 -0.137 5.750 887 HD23 LEU 67 3HD2 LEU 67 2.320 -1.708 4.956 888 H VAL 68 H VAL 68 3.297 -1.513 9.126 889 HA VAL 68 HA VAL 68 5.852 -2.255 10.335 890 HB VAL 68 HB VAL 68 3.040 -2.284 11.439 891 HG11 VAL 68 1HG1 VAL 68 4.024 -3.099 13.548 892 HG12 VAL 68 2HG1 VAL 68 5.566 -3.327 12.725 893 HG13 VAL 68 3HG1 VAL 68 4.164 -4.285 12.251 894 HG21 VAL 68 1HG2 VAL 68 3.987 -0.714 13.056 895 HG22 VAL 68 2HG2 VAL 68 4.180 -0.129 11.403 896 HG23 VAL 68 3HG2 VAL 68 5.554 -0.835 12.256 897 H LEU 69 H LEU 69 6.676 -4.090 9.747 898 HA LEU 69 HA LEU 69 5.082 -6.114 8.508 899 HB2 LEU 69 2HB LEU 69 7.994 -6.174 9.246 900 HB3 LEU 69 1HB LEU 69 7.167 -7.321 8.207 901 HG LEU 69 HG LEU 69 8.123 -4.587 7.627 902 HD11 LEU 69 1HD1 LEU 69 8.587 -5.605 5.459 903 HD12 LEU 69 2HD1 LEU 69 7.805 -7.090 6.003 904 HD13 LEU 69 3HD1 LEU 69 9.280 -6.531 6.790 905 HD21 LEU 69 1HD2 LEU 69 5.744 -4.257 7.331 906 HD22 LEU 69 2HD2 LEU 69 5.668 -5.678 6.288 907 HD23 LEU 69 3HD2 LEU 69 6.586 -4.259 5.782 908 H HIS 70 H HIS 70 6.106 -8.492 9.310 909 HA HIS 70 HA HIS 70 4.604 -8.951 11.682 910 HB2 HIS 70 2HB HIS 70 6.360 -10.789 10.063 911 HB3 HIS 70 1HB HIS 70 5.368 -11.314 11.420 912 HD1 HIS 70 1HD HIS 70 2.712 -9.981 10.876 913 HD2 HIS 70 2HD HIS 70 5.069 -11.620 7.879 914 HE1 HIS 70 1HE HIS 70 1.172 -10.417 8.924 915 H ALA 71 H ALA 71 8.090 -8.680 11.107 916 HA ALA 71 HA ALA 71 8.628 -9.654 13.806 917 HB1 ALA 71 1HB ALA 71 10.969 -9.531 13.207 918 HB2 ALA 71 2HB ALA 71 10.563 -8.713 11.697 919 HB3 ALA 71 3HB ALA 71 10.065 -10.385 11.955 920 H GLY 72 H GLY 72 7.449 -6.890 12.842 921 HA2 GLY 72 2HA GLY 72 7.304 -4.944 14.168 922 HA3 GLY 72 1HA GLY 72 8.820 -5.392 14.944 923 H ASP 73 H ASP 73 8.771 -5.707 11.595 924 HA ASP 73 HA ASP 73 10.794 -3.730 11.201 925 HB2 ASP 73 2HB ASP 73 9.264 -4.949 8.932 926 HB3 ASP 73 1HB ASP 73 10.977 -4.594 9.042 927 H THR 74 H THR 74 10.559 -1.817 9.864 928 HA THR 74 HA THR 74 7.789 -1.034 9.346 929 HB THR 74 HB THR 74 8.262 1.243 10.336 930 HG1 THR 74 1HG THR 74 10.577 0.948 10.439 931 HG21 THR 74 1HG2 THR 74 6.872 -0.353 11.538 932 HG22 THR 74 2HG2 THR 74 7.871 0.567 12.663 933 HG23 THR 74 3HG2 THR 74 8.309 -1.091 12.248 934 H THR 75 H THR 75 7.549 -0.035 7.495 935 HA THR 75 HA THR 75 9.905 1.163 6.200 936 HB THR 75 HB THR 75 7.511 0.349 4.608 937 HG1 THR 75 1HG THR 75 9.091 -1.726 4.537 938 HG21 THR 75 1HG2 THR 75 10.490 0.294 4.114 939 HG22 THR 75 2HG2 THR 75 9.356 1.507 3.521 940 HG23 THR 75 3HG2 THR 75 9.254 -0.156 2.939 941 H ASN 76 H ASN 76 9.787 3.311 6.414 942 HA ASN 76 HA ASN 76 7.209 4.632 6.631 943 HB2 ASN 76 2HB ASN 76 10.014 5.368 7.240 944 HB3 ASN 76 1HB ASN 76 8.926 6.676 6.797 945 HD21 ASN 76 1HD2 ASN 76 9.034 7.556 8.829 946 HD22 ASN 76 2HD2 ASN 76 8.231 6.854 10.182 947 H PHE 77 H PHE 77 6.270 5.846 5.176 948 HA PHE 77 HA PHE 77 7.780 6.597 2.761 949 HB2 PHE 77 2HB PHE 77 4.902 5.662 2.910 950 HB3 PHE 77 1HB PHE 77 5.698 6.264 1.459 951 HD1 PHE 77 1HD PHE 77 8.032 5.007 0.981 952 HD2 PHE 77 2HD PHE 77 4.720 3.394 3.112 953 HE1 PHE 77 1HE PHE 77 8.818 2.733 0.473 954 HE2 PHE 77 2HE PHE 77 5.501 1.117 2.606 955 HZ PHE 77 HZ PHE 77 7.552 0.784 1.285 956 H HIS 78 H HIS 78 8.088 8.714 3.026 957 HA HIS 78 HA HIS 78 6.045 10.398 4.236 958 HB2 HIS 78 2HB HIS 78 8.268 10.892 4.934 959 HB3 HIS 78 1HB HIS 78 8.881 10.854 3.289 960 HD1 HIS 78 1HD HIS 78 9.941 13.237 3.858 961 HD2 HIS 78 2HD HIS 78 5.780 13.097 3.773 962 HE1 HIS 78 1HE HIS 78 9.145 15.629 3.644 963 H PHE 79 H PHE 79 4.450 11.154 3.025 964 HA PHE 79 HA PHE 79 4.656 11.224 0.159 965 HB2 PHE 79 2HB PHE 79 2.462 12.164 2.021 966 HB3 PHE 79 1HB PHE 79 2.331 12.096 0.267 967 HD1 PHE 79 1HD PHE 79 1.882 10.063 -0.852 968 HD2 PHE 79 2HD PHE 79 2.684 10.062 3.324 969 HE1 PHE 79 1HE PHE 79 1.123 7.728 -0.712 970 HE2 PHE 79 2HE PHE 79 1.927 7.726 3.473 971 HZ PHE 79 HZ PHE 79 1.139 6.558 1.454 972 H SER 80 H SER 80 6.473 12.680 0.079 973 HA SER 80 HA SER 80 6.179 15.405 0.930 974 HB2 SER 80 2HB SER 80 8.330 15.503 -0.661 975 HB3 SER 80 1HB SER 80 8.400 14.861 0.980 976 HG SER 80 HG SER 80 7.837 13.217 -1.262 977 H ASN 81 H ASN 81 4.115 14.551 -0.834 978 HA ASN 81 HA ASN 81 4.689 16.133 -3.240 979 HB2 ASN 81 2HB ASN 81 3.778 13.655 -3.293 980 HB3 ASN 81 1HB ASN 81 2.233 14.440 -2.979 981 HD21 ASN 81 1HD2 ASN 81 1.452 13.796 -4.996 982 HD22 ASN 81 2HD2 ASN 81 1.959 14.598 -6.449 983 H GLU 82 H GLU 82 4.370 18.139 -2.391 984 HA GLU 82 HA GLU 82 2.462 19.029 -0.626 985 HB2 GLU 82 2HB GLU 82 2.896 21.255 -1.462 986 HB3 GLU 82 1HB GLU 82 4.397 20.345 -1.415 987 HG2 GLU 82 2HG GLU 82 2.742 20.949 -3.860 988 HG3 GLU 82 1HG GLU 82 4.282 21.685 -3.423 989 H SER 83 H SER 83 2.007 18.178 -3.939 990 HA SER 83 HA SER 83 -0.358 19.676 -4.396 991 HB2 SER 83 2HB SER 83 -0.365 17.491 -6.137 992 HB3 SER 83 1HB SER 83 0.295 19.097 -6.457 993 HG SER 83 HG SER 83 2.312 18.393 -5.755 994 H THR 84 H THR 84 0.096 16.147 -3.828 995 HA THR 84 HA THR 84 -2.638 16.126 -2.729 996 HB THR 84 HB THR 84 -2.589 13.680 -3.810 997 HG1 THR 84 1HG THR 84 -0.615 13.837 -4.847 998 HG21 THR 84 1HG2 THR 84 -4.328 15.365 -4.162 999 HG22 THR 84 2HG2 THR 84 -3.886 14.588 -5.682 1000 HG23 THR 84 3HG2 THR 84 -3.289 16.205 -5.312 1001 H ALA 85 H ALA 85 -0.152 16.151 -1.244 1002 HA ALA 85 HA ALA 85 0.832 13.723 -0.396 1003 HB1 ALA 85 1HB ALA 85 1.723 15.926 0.280 1004 HB2 ALA 85 2HB ALA 85 1.538 14.805 1.630 1005 HB3 ALA 85 3HB ALA 85 0.364 16.099 1.392 1006 H VAL 86 H VAL 86 -1.930 15.472 0.992 1007 HA VAL 86 HA VAL 86 -2.446 13.524 2.992 1008 HB VAL 86 HB VAL 86 -4.130 15.749 1.856 1009 HG11 VAL 86 1HG1 VAL 86 -4.738 13.953 4.201 1010 HG12 VAL 86 2HG1 VAL 86 -5.645 14.050 2.692 1011 HG13 VAL 86 3HG1 VAL 86 -5.622 15.425 3.797 1012 HG21 VAL 86 1HG2 VAL 86 -2.218 16.509 3.093 1013 HG22 VAL 86 2HG2 VAL 86 -2.642 15.463 4.447 1014 HG23 VAL 86 3HG2 VAL 86 -3.687 16.817 4.019 1015 H LYS 87 H LYS 87 -3.762 14.137 -0.220 1016 HA LYS 87 HA LYS 87 -5.831 12.216 -0.097 1017 HB2 LYS 87 2HB LYS 87 -4.437 13.517 -2.429 1018 HB3 LYS 87 1HB LYS 87 -5.809 12.432 -2.606 1019 HG2 LYS 87 2HG LYS 87 -7.186 13.940 -1.277 1020 HG3 LYS 87 1HG LYS 87 -5.808 15.027 -1.081 1021 HD2 LYS 87 2HD LYS 87 -6.724 16.042 -2.875 1022 HD3 LYS 87 1HD LYS 87 -5.823 14.803 -3.748 1023 HE2 LYS 87 2HE LYS 87 -8.757 14.910 -3.117 1024 HE3 LYS 87 1HE LYS 87 -7.971 14.723 -4.682 1025 HZ1 LYS 87 1HZ LYS 87 -8.819 12.618 -4.134 1026 HZ2 LYS 87 2HZ LYS 87 -8.263 12.699 -2.542 1027 HZ3 LYS 87 3HZ LYS 87 -7.163 12.501 -3.810 1028 H GLU 88 H GLU 88 -2.608 12.088 -1.631 1029 HA GLU 88 HA GLU 88 -2.865 9.436 -2.536 1030 HB2 GLU 88 2HB GLU 88 -0.409 11.090 -1.928 1031 HB3 GLU 88 1HB GLU 88 -0.363 9.516 -2.715 1032 HG2 GLU 88 2HG GLU 88 -1.640 10.350 -4.572 1033 HG3 GLU 88 1HG GLU 88 -1.872 11.898 -3.765 1034 H ARG 89 H ARG 89 -1.766 10.794 0.521 1035 HA ARG 89 HA ARG 89 -0.702 8.423 1.616 1036 HB2 ARG 89 2HB ARG 89 -0.276 10.575 2.670 1037 HB3 ARG 89 1HB ARG 89 -1.989 10.793 2.989 1038 HG2 ARG 89 2HG ARG 89 -0.768 8.354 4.117 1039 HG3 ARG 89 1HG ARG 89 -0.232 9.887 4.808 1040 HD2 ARG 89 2HD ARG 89 -2.979 10.165 4.640 1041 HD3 ARG 89 1HD ARG 89 -2.760 8.482 5.114 1042 HE ARG 89 HE ARG 89 -1.170 9.656 6.860 1043 HH11 ARG 89 1HH1 ARG 89 -4.390 10.644 5.819 1044 HH12 ARG 89 2HH1 ARG 89 -4.763 11.421 7.344 1045 HH21 ARG 89 1HH2 ARG 89 -1.699 10.666 8.850 1046 HH22 ARG 89 2HH2 ARG 89 -3.274 11.387 9.056 1047 H ASP 90 H ASP 90 -3.907 9.891 1.820 1048 HA ASP 90 HA ASP 90 -5.038 7.805 3.362 1049 HB2 ASP 90 2HB ASP 90 -6.074 10.188 1.931 1050 HB3 ASP 90 1HB ASP 90 -7.225 8.900 2.291 1051 H ALA 91 H ALA 91 -4.802 8.395 -0.101 1052 HA ALA 91 HA ALA 91 -6.565 6.405 -0.961 1053 HB1 ALA 91 1HB ALA 91 -4.023 7.340 -2.297 1054 HB2 ALA 91 2HB ALA 91 -5.609 8.093 -2.463 1055 HB3 ALA 91 3HB ALA 91 -5.338 6.460 -3.075 1056 H VAL 92 H VAL 92 -3.135 6.308 -0.125 1057 HA VAL 92 HA VAL 92 -2.800 3.523 -0.676 1058 HB VAL 92 HB VAL 92 -1.136 5.450 0.961 1059 HG11 VAL 92 1HG1 VAL 92 -0.484 2.622 0.142 1060 HG12 VAL 92 2HG1 VAL 92 -0.764 3.194 1.786 1061 HG13 VAL 92 3HG1 VAL 92 0.642 3.759 0.884 1062 HG21 VAL 92 1HG2 VAL 92 0.377 5.416 -0.929 1063 HG22 VAL 92 2HG2 VAL 92 -1.236 5.906 -1.449 1064 HG23 VAL 92 3HG2 VAL 92 -0.665 4.268 -1.770 1065 H LYS 93 H LYS 93 -3.405 5.447 2.204 1066 HA LYS 93 HA LYS 93 -3.143 3.436 4.136 1067 HB2 LYS 93 2HB LYS 93 -3.154 5.842 4.630 1068 HB3 LYS 93 1HB LYS 93 -4.844 5.937 4.160 1069 HG2 LYS 93 2HG LYS 93 -4.441 3.928 6.186 1070 HG3 LYS 93 1HG LYS 93 -3.827 5.501 6.702 1071 HD2 LYS 93 2HD LYS 93 -6.584 5.030 5.574 1072 HD3 LYS 93 1HD LYS 93 -6.209 5.114 7.296 1073 HE2 LYS 93 2HE LYS 93 -5.843 7.357 7.252 1074 HE3 LYS 93 1HE LYS 93 -5.293 7.346 5.576 1075 HZ1 LYS 93 1HZ LYS 93 -8.041 7.426 6.619 1076 HZ2 LYS 93 2HZ LYS 93 -7.762 6.757 5.090 1077 HZ3 LYS 93 3HZ LYS 93 -7.335 8.375 5.406 1078 H ASP 94 H ASP 94 -6.056 4.749 2.591 1079 HA ASP 94 HA ASP 94 -7.856 2.956 3.832 1080 HB2 ASP 94 2HB ASP 94 -7.976 4.955 1.645 1081 HB3 ASP 94 1HB ASP 94 -9.240 3.734 1.675 1082 H LEU 95 H LEU 95 -6.099 2.857 0.804 1083 HA LEU 95 HA LEU 95 -7.491 0.545 -0.181 1084 HB2 LEU 95 2HB LEU 95 -6.212 2.259 -1.591 1085 HB3 LEU 95 1HB LEU 95 -4.748 1.459 -1.054 1086 HG LEU 95 HG LEU 95 -5.520 -0.641 -2.088 1087 HD11 LEU 95 1HD1 LEU 95 -7.924 -0.278 -1.911 1088 HD12 LEU 95 2HD1 LEU 95 -7.457 -0.624 -3.576 1089 HD13 LEU 95 3HD1 LEU 95 -7.821 1.031 -3.088 1090 HD21 LEU 95 1HD2 LEU 95 -5.519 1.731 -3.951 1091 HD22 LEU 95 2HD2 LEU 95 -5.241 0.052 -4.416 1092 HD23 LEU 95 3HD2 LEU 95 -4.096 0.875 -3.356 1093 H LEU 96 H LEU 96 -4.746 1.154 1.877 1094 HA LEU 96 HA LEU 96 -3.711 -1.479 1.751 1095 HB2 LEU 96 2HB LEU 96 -3.330 0.841 3.549 1096 HB3 LEU 96 1HB LEU 96 -2.897 -0.741 4.175 1097 HG LEU 96 HG LEU 96 -1.808 0.524 1.661 1098 HD11 LEU 96 1HD1 LEU 96 0.289 0.631 2.892 1099 HD12 LEU 96 2HD1 LEU 96 -0.508 -0.028 4.321 1100 HD13 LEU 96 3HD1 LEU 96 -0.971 1.559 3.704 1101 HD21 LEU 96 1HD2 LEU 96 -1.974 -1.898 1.456 1102 HD22 LEU 96 2HD2 LEU 96 -1.117 -2.093 2.984 1103 HD23 LEU 96 3HD2 LEU 96 -0.291 -1.387 1.595 1104 H GLN 97 H GLN 97 -5.790 0.134 4.255 1105 HA GLN 97 HA GLN 97 -6.429 -2.200 5.611 1106 HB2 GLN 97 2HB GLN 97 -8.711 -0.861 5.935 1107 HB3 GLN 97 1HB GLN 97 -7.224 -0.405 6.754 1108 HG2 GLN 97 2HG GLN 97 -6.904 1.033 4.573 1109 HG3 GLN 97 1HG GLN 97 -8.659 0.906 4.531 1110 HE21 GLN 97 1HE2 GLN 97 -7.081 0.830 7.563 1111 HE22 GLN 97 2HE2 GLN 97 -7.481 2.439 8.051 1112 H GLN 98 H GLN 98 -7.294 -1.298 2.445 1113 HA GLN 98 HA GLN 98 -9.536 -3.129 2.267 1114 HB2 GLN 98 2HB GLN 98 -8.300 -1.090 0.516 1115 HB3 GLN 98 1HB GLN 98 -9.105 -2.427 -0.289 1116 HG2 GLN 98 2HG GLN 98 -10.334 -0.616 1.770 1117 HG3 GLN 98 1HG GLN 98 -10.599 -0.538 0.026 1118 HE21 GLN 98 1HE2 GLN 98 -11.259 -2.239 2.944 1119 HE22 GLN 98 2HE2 GLN 98 -12.497 -3.269 2.315 1120 H LEU 99 H LEU 99 -6.195 -2.977 1.054 1121 HA LEU 99 HA LEU 99 -6.482 -5.552 -0.249 1122 HB2 LEU 99 2HB LEU 99 -4.322 -3.497 -0.098 1123 HB3 LEU 99 1HB LEU 99 -3.948 -5.120 -0.652 1124 HG LEU 99 HG LEU 99 -6.098 -3.416 -1.892 1125 HD11 LEU 99 1HD1 LEU 99 -4.506 -2.947 -3.679 1126 HD12 LEU 99 2HD1 LEU 99 -3.243 -3.787 -2.780 1127 HD13 LEU 99 3HD1 LEU 99 -3.942 -2.302 -2.138 1128 HD21 LEU 99 1HD2 LEU 99 -5.912 -4.994 -3.731 1129 HD22 LEU 99 2HD2 LEU 99 -6.307 -5.829 -2.228 1130 HD23 LEU 99 3HD2 LEU 99 -4.661 -5.881 -2.860 1131 H LEU 100 H LEU 100 -4.958 -4.257 2.632 1132 HA LEU 100 HA LEU 100 -3.256 -6.345 3.271 1133 HB2 LEU 100 2HB LEU 100 -4.684 -4.308 4.935 1134 HB3 LEU 100 1HB LEU 100 -3.770 -5.585 5.719 1135 HG LEU 100 HG LEU 100 -2.566 -3.742 3.652 1136 HD11 LEU 100 1HD1 LEU 100 -2.422 -3.461 6.660 1137 HD12 LEU 100 2HD1 LEU 100 -3.294 -2.386 5.567 1138 HD13 LEU 100 3HD1 LEU 100 -1.537 -2.493 5.481 1139 HD21 LEU 100 1HD2 LEU 100 -0.457 -4.533 4.549 1140 HD22 LEU 100 2HD2 LEU 100 -1.442 -5.887 3.993 1141 HD23 LEU 100 3HD2 LEU 100 -1.312 -5.538 5.718 1142 HA PRO 101 HA PRO 101 -7.115 -8.325 5.757 1143 HB2 PRO 101 2HB PRO 101 -9.283 -8.198 3.969 1144 HB3 PRO 101 1HB PRO 101 -9.135 -7.377 5.524 1145 HG2 PRO 101 2HG PRO 101 -8.632 -6.355 2.781 1146 HG3 PRO 101 1HG PRO 101 -9.254 -5.506 4.207 1147 HD2 PRO 101 2HD PRO 101 -6.753 -5.127 3.361 1148 HD3 PRO 101 1HD PRO 101 -7.134 -5.186 5.096 1149 H LYS 102 H LYS 102 -6.511 -8.354 2.275 1150 HA LYS 102 HA LYS 102 -7.459 -10.986 1.781 1151 HB2 LYS 102 2HB LYS 102 -5.321 -9.367 0.377 1152 HB3 LYS 102 1HB LYS 102 -5.938 -10.902 -0.212 1153 HG2 LYS 102 2HG LYS 102 -8.086 -9.981 -0.619 1154 HG3 LYS 102 1HG LYS 102 -7.679 -8.495 0.242 1155 HD2 LYS 102 2HD LYS 102 -7.625 -8.337 -2.275 1156 HD3 LYS 102 1HD LYS 102 -6.151 -7.826 -1.453 1157 HE2 LYS 102 2HE LYS 102 -5.288 -10.180 -1.850 1158 HE3 LYS 102 1HE LYS 102 -6.664 -10.399 -2.929 1159 HZ1 LYS 102 1HZ LYS 102 -5.855 -8.774 -4.386 1160 HZ2 LYS 102 2HZ LYS 102 -4.489 -9.687 -3.969 1161 HZ3 LYS 102 3HZ LYS 102 -4.743 -8.169 -3.263 1162 H PHE 103 H PHE 103 -4.733 -9.699 3.309 1163 HA PHE 103 HA PHE 103 -3.484 -12.344 3.605 1164 HB2 PHE 103 2HB PHE 103 -1.943 -9.729 3.538 1165 HB3 PHE 103 1HB PHE 103 -1.305 -11.369 3.425 1166 HD1 PHE 103 1HD PHE 103 -3.090 -8.698 1.648 1167 HD2 PHE 103 2HD PHE 103 -1.244 -12.517 1.317 1168 HE1 PHE 103 1HE PHE 103 -3.157 -8.505 -0.801 1169 HE2 PHE 103 2HE PHE 103 -1.309 -12.329 -1.139 1170 HZ PHE 103 HZ PHE 103 -2.263 -10.323 -2.196 1171 H LYS 104 H LYS 104 -5.449 -10.658 5.074 1172 HA LYS 104 HA LYS 104 -4.560 -9.309 7.283 1173 HB2 LYS 104 2HB LYS 104 -6.902 -9.525 6.476 1174 HB3 LYS 104 1HB LYS 104 -6.959 -11.133 7.177 1175 HG2 LYS 104 2HG LYS 104 -6.477 -10.071 9.400 1176 HG3 LYS 104 1HG LYS 104 -6.709 -8.505 8.616 1177 HD2 LYS 104 2HD LYS 104 -8.965 -9.349 7.863 1178 HD3 LYS 104 1HD LYS 104 -8.716 -10.732 8.928 1179 HE2 LYS 104 2HE LYS 104 -10.001 -9.205 10.173 1180 HE3 LYS 104 1HE LYS 104 -8.359 -9.048 10.792 1181 HZ1 LYS 104 1HZ LYS 104 -9.592 -6.921 10.354 1182 HZ2 LYS 104 2HZ LYS 104 -9.454 -7.249 8.700 1183 HZ3 LYS 104 3HZ LYS 104 -8.055 -7.036 9.652 1184 H ARG 105 H ARG 105 -3.107 -9.911 8.686 1185 HA ARG 105 HA ARG 105 -3.658 -12.148 10.449 1186 HB2 ARG 105 2HB ARG 105 -1.151 -11.924 8.793 1187 HB3 ARG 105 1HB ARG 105 -1.105 -12.678 10.379 1188 HG2 ARG 105 2HG ARG 105 -2.119 -14.552 9.660 1189 HG3 ARG 105 1HG ARG 105 -3.210 -13.675 8.582 1190 HD2 ARG 105 2HD ARG 105 -0.394 -14.580 8.095 1191 HD3 ARG 105 1HD ARG 105 -1.837 -14.853 7.112 1192 HE ARG 105 HE ARG 105 -1.760 -12.390 6.666 1193 HH11 ARG 105 1HH1 ARG 105 1.153 -14.225 7.322 1194 HH12 ARG 105 2HH1 ARG 105 2.206 -13.010 6.667 1195 HH21 ARG 105 1HH2 ARG 105 -0.384 -10.793 5.854 1196 HH22 ARG 105 2HH2 ARG 105 1.334 -11.058 5.851 1197 H LYS 106 H LYS 106 -4.055 -10.663 12.066 1198 HA LYS 106 HA LYS 106 -1.867 -8.797 12.663 1199 HB2 LYS 106 2HB LYS 106 -4.277 -7.973 12.119 1200 HB3 LYS 106 1HB LYS 106 -4.635 -8.476 13.765 1201 HG2 LYS 106 2HG LYS 106 -2.976 -6.955 14.637 1202 HG3 LYS 106 1HG LYS 106 -2.485 -6.511 13.001 1203 HD2 LYS 106 2HD LYS 106 -4.874 -5.754 12.636 1204 HD3 LYS 106 1HD LYS 106 -5.101 -5.938 14.376 1205 HE2 LYS 106 2HE LYS 106 -2.925 -4.239 13.178 1206 HE3 LYS 106 1HE LYS 106 -4.528 -3.612 13.553 1207 HZ1 LYS 106 1HZ LYS 106 -2.529 -4.715 15.458 1208 HZ2 LYS 106 2HZ LYS 106 -4.137 -4.392 15.874 1209 HZ3 LYS 106 3HZ LYS 106 -3.128 -3.126 15.382 1210 H ALA 107 H ALA 107 -0.623 -10.092 13.931 1211 HA ALA 107 HA ALA 107 -1.818 -11.173 16.375 1212 HB1 ALA 107 1HB ALA 107 0.302 -12.373 16.668 1213 HB2 ALA 107 2HB ALA 107 0.949 -11.582 15.230 1214 HB3 ALA 107 3HB ALA 107 -0.400 -12.708 15.086 1215 H ASN 108 H ASN 108 -1.026 -8.400 15.452 1216 HA ASN 108 HA ASN 108 -0.524 -7.162 17.861 1217 HB2 ASN 108 2HB ASN 108 1.709 -8.070 17.902 1218 HB3 ASN 108 1HB ASN 108 1.979 -7.629 16.220 1219 HD21 ASN 108 1HD2 ASN 108 0.666 -5.805 18.966 1220 HD22 ASN 108 2HD2 ASN 108 1.818 -4.520 18.875 Start of MODEL 18 1 H ARG 390 2HT ARG 390 23.309 1.998 9.382 2 HA ARG 390 HA ARG 390 24.723 3.811 8.852 3 HB2 ARG 390 2HB ARG 390 26.577 2.459 7.919 4 HB3 ARG 390 1HB ARG 390 25.602 2.110 6.498 5 HG2 ARG 390 2HG ARG 390 25.528 4.788 6.435 6 HG3 ARG 390 1HG ARG 390 27.083 4.554 7.234 7 HD2 ARG 390 2HD ARG 390 28.041 3.614 5.394 8 HD3 ARG 390 1HD ARG 390 26.527 2.901 4.837 9 HE ARG 390 HE ARG 390 25.979 5.414 4.360 10 HH11 ARG 390 1HH1 ARG 390 29.026 3.762 3.837 11 HH12 ARG 390 2HH1 ARG 390 29.505 4.792 2.531 12 HH21 ARG 390 1HH2 ARG 390 26.604 6.774 2.658 13 HH22 ARG 390 2HH2 ARG 390 28.118 6.509 1.850 14 H ARG 391 H ARG 391 24.037 5.471 7.385 15 HA ARG 391 HA ARG 391 21.563 4.769 5.983 16 HB2 ARG 391 2HB ARG 391 21.195 7.276 5.985 17 HB3 ARG 391 1HB ARG 391 21.181 6.503 7.562 18 HG2 ARG 391 2HG ARG 391 23.538 7.231 7.875 19 HG3 ARG 391 1HG ARG 391 23.416 8.118 6.354 20 HD2 ARG 391 2HD ARG 391 21.778 8.559 8.850 21 HD3 ARG 391 1HD ARG 391 23.021 9.627 8.197 22 HE ARG 391 HE ARG 391 21.416 9.676 6.159 23 HH11 ARG 391 1HH1 ARG 391 20.455 9.631 9.542 24 HH12 ARG 391 2HH1 ARG 391 18.953 10.441 9.247 25 HH21 ARG 391 1HH2 ARG 391 19.468 10.718 5.786 26 HH22 ARG 391 2HH2 ARG 391 18.383 11.086 7.114 27 H ARG 392 H ARG 392 21.756 7.320 4.423 28 HA ARG 392 HA ARG 392 23.091 6.217 2.145 29 HB2 ARG 392 2HB ARG 392 21.579 8.741 2.703 30 HB3 ARG 392 1HB ARG 392 22.533 8.609 1.235 31 HG2 ARG 392 2HG ARG 392 21.184 6.352 0.986 32 HG3 ARG 392 1HG ARG 392 20.034 7.216 2.010 33 HD2 ARG 392 2HD ARG 392 21.171 8.233 -0.595 34 HD3 ARG 392 1HD ARG 392 19.570 7.527 -0.391 35 HE ARG 392 HE ARG 392 18.896 9.452 0.802 36 HH11 ARG 392 1HH1 ARG 392 22.145 9.722 -0.482 37 HH12 ARG 392 2HH1 ARG 392 22.228 11.450 -0.269 38 HH21 ARG 392 1HH2 ARG 392 18.993 11.725 1.035 39 HH22 ARG 392 2HH2 ARG 392 20.444 12.575 0.593 40 H THR 393 H THR 393 23.836 9.071 1.349 41 HA THR 393 HA THR 393 26.353 9.341 2.830 42 HB THR 393 HB THR 393 26.345 9.827 -0.125 43 HG1 THR 393 1HG THR 393 26.247 7.763 -0.590 44 HG21 THR 393 1HG2 THR 393 28.698 9.174 0.096 45 HG22 THR 393 2HG2 THR 393 28.440 8.812 1.803 46 HG23 THR 393 3HG2 THR 393 28.290 10.470 1.220 47 H GLU 394 H GLU 394 24.173 10.799 3.403 48 HA GLU 394 HA GLU 394 23.792 13.154 1.910 49 HB2 GLU 394 2HB GLU 394 23.317 12.624 4.847 50 HB3 GLU 394 1HB GLU 394 22.684 13.997 3.950 51 HG2 GLU 394 2HG GLU 394 20.872 12.700 3.750 52 HG3 GLU 394 1HG GLU 394 21.777 11.981 2.420 53 H ALA 395 H ALA 395 25.687 14.139 1.393 54 HA ALA 395 HA ALA 395 26.856 15.808 3.440 55 HB1 ALA 395 1HB ALA 395 28.644 13.871 1.976 56 HB2 ALA 395 2HB ALA 395 28.134 13.699 3.657 57 HB3 ALA 395 3HB ALA 395 29.133 15.071 3.174 58 H LEU 396 H LEU 396 25.968 15.166 0.284 59 HA LEU 396 HA LEU 396 27.727 17.212 -0.868 60 HB2 LEU 396 2HB LEU 396 25.721 15.388 -2.206 61 HB3 LEU 396 1HB LEU 396 26.825 16.474 -3.027 62 HG LEU 396 HG LEU 396 27.708 14.147 -1.321 63 HD11 LEU 396 1HD1 LEU 396 26.482 13.341 -3.257 64 HD12 LEU 396 2HD1 LEU 396 28.207 13.022 -3.439 65 HD13 LEU 396 3HD1 LEU 396 27.460 14.356 -4.318 66 HD21 LEU 396 1HD2 LEU 396 29.867 14.514 -2.435 67 HD22 LEU 396 2HD2 LEU 396 29.365 15.913 -1.486 68 HD23 LEU 396 3HD2 LEU 396 29.198 15.933 -3.242 69 H GLY 397 H GLY 397 25.502 17.685 1.031 70 HA2 GLY 397 2HA GLY 397 24.182 19.627 1.233 71 HA3 GLY 397 1HA GLY 397 24.140 19.749 -0.523 72 H ASP 398 H ASP 398 23.654 16.625 0.105 73 HA ASP 398 HA ASP 398 20.785 16.812 -0.305 74 HB2 ASP 398 2HB ASP 398 20.953 14.397 -0.783 75 HB3 ASP 398 1HB ASP 398 22.094 15.327 -1.747 76 H ALA 399 H ALA 399 21.979 17.460 2.285 77 HA ALA 399 HA ALA 399 20.671 15.407 3.943 78 HB1 ALA 399 1HB ALA 399 23.015 17.139 4.720 79 HB2 ALA 399 2HB ALA 399 23.110 15.440 4.259 80 HB3 ALA 399 3HB ALA 399 22.241 15.910 5.721 81 H GLU 400 H GLU 400 18.692 16.640 3.672 82 HA GLU 400 HA GLU 400 18.686 19.053 5.344 83 HB2 GLU 400 2HB GLU 400 16.396 19.301 3.900 84 HB3 GLU 400 1HB GLU 400 17.928 20.049 3.474 85 HG2 GLU 400 2HG GLU 400 17.094 19.031 1.517 86 HG3 GLU 400 1HG GLU 400 18.420 18.018 2.086 87 H GLU 401 H GLU 401 15.562 18.516 4.686 88 HA GLU 401 HA GLU 401 14.909 17.715 7.301 89 HB2 GLU 401 2HB GLU 401 13.505 18.534 4.930 90 HB3 GLU 401 1HB GLU 401 12.699 17.145 5.647 91 HG2 GLU 401 2HG GLU 401 13.459 19.589 7.221 92 HG3 GLU 401 1HG GLU 401 11.903 19.404 6.413 93 H ASP 402 H ASP 402 14.170 15.804 8.152 94 HA ASP 402 HA ASP 402 14.670 13.412 6.490 95 HB2 ASP 402 2HB ASP 402 16.058 14.082 8.741 96 HB3 ASP 402 1HB ASP 402 14.777 13.085 9.423 97 H GLU 403 H GLU 403 13.239 11.712 6.645 98 HA GLU 403 HA GLU 403 10.538 12.307 7.039 99 HB2 GLU 403 2HB GLU 403 12.058 9.724 6.795 100 HB3 GLU 403 1HB GLU 403 10.320 9.734 7.047 101 HG2 GLU 403 2HG GLU 403 11.015 9.487 4.681 102 HG3 GLU 403 1HG GLU 403 9.947 10.855 4.986 103 H ASP 404 H ASP 404 9.255 12.339 8.788 104 HA ASP 404 HA ASP 404 10.278 11.964 11.402 105 HB2 ASP 404 2HB ASP 404 7.499 12.318 10.278 106 HB3 ASP 404 1HB ASP 404 7.744 11.982 11.987 107 H ASP 405 H ASP 405 10.589 10.077 12.437 108 HA ASP 405 HA ASP 405 9.415 7.678 11.239 109 HB2 ASP 405 2HB ASP 405 11.710 8.020 13.181 110 HB3 ASP 405 1HB ASP 405 11.087 6.455 12.671 111 H GLU 406 H GLU 406 8.557 9.774 13.566 112 HA GLU 406 HA GLU 406 7.283 7.627 15.111 113 HB2 GLU 406 2HB GLU 406 7.171 9.477 16.962 114 HB3 GLU 406 1HB GLU 406 8.621 8.509 16.765 115 HG2 GLU 406 2HG GLU 406 8.989 10.947 17.137 116 HG3 GLU 406 1HG GLU 406 9.773 10.276 15.713 117 H ASP 407 H ASP 407 5.409 8.733 16.453 118 HA ASP 407 HA ASP 407 3.329 9.453 16.383 119 HB2 ASP 407 2HB ASP 407 4.479 11.617 16.461 120 HB3 ASP 407 1HB ASP 407 4.380 11.689 14.706 121 H PHE 408 H PHE 408 3.187 7.427 15.004 122 HA PHE 408 HA PHE 408 1.715 8.160 12.564 123 HB2 PHE 408 2HB PHE 408 3.404 5.688 13.086 124 HB3 PHE 408 1HB PHE 408 2.210 5.768 11.814 125 HD1 PHE 408 1HD PHE 408 2.847 6.409 9.725 126 HD2 PHE 408 2HD PHE 408 5.231 7.571 13.044 127 HE1 PHE 408 1HE PHE 408 4.502 7.365 8.191 128 HE2 PHE 408 2HE PHE 408 6.888 8.533 11.513 129 HZ PHE 408 HZ PHE 408 6.515 8.440 9.089 130 H VAL 409 H VAL 409 -0.298 7.668 12.635 131 HA VAL 409 HA VAL 409 -1.315 6.309 14.967 132 HB VAL 409 HB VAL 409 -3.533 7.098 13.965 133 HG11 VAL 409 1HG1 VAL 409 -3.029 9.360 14.675 134 HG12 VAL 409 2HG1 VAL 409 -1.307 9.027 14.473 135 HG13 VAL 409 3HG1 VAL 409 -2.231 8.182 15.716 136 HG21 VAL 409 1HG2 VAL 409 -2.850 7.372 11.664 137 HG22 VAL 409 2HG2 VAL 409 -1.658 8.573 12.162 138 HG23 VAL 409 3HG2 VAL 409 -3.380 8.902 12.359 139 H GLU 410 H GLU 410 -1.746 4.278 14.995 140 HA GLU 410 HA GLU 410 -1.131 2.613 12.893 141 HB2 GLU 410 2HB GLU 410 -1.332 2.012 15.355 142 HB3 GLU 410 1HB GLU 410 -3.060 1.826 15.068 143 HG2 GLU 410 2HG GLU 410 -2.688 -0.240 14.374 144 HG3 GLU 410 1HG GLU 410 -1.762 0.412 13.024 145 H VAL 411 H VAL 411 -2.105 2.076 11.160 146 HA VAL 411 HA VAL 411 -4.872 2.837 10.715 147 HB VAL 411 HB VAL 411 -2.917 1.791 8.646 148 HG11 VAL 411 1HG1 VAL 411 -4.451 2.826 7.098 149 HG12 VAL 411 2HG1 VAL 411 -5.427 3.450 8.427 150 HG13 VAL 411 3HG1 VAL 411 -5.339 1.712 8.138 151 HG21 VAL 411 1HG2 VAL 411 -1.974 3.728 9.691 152 HG22 VAL 411 2HG2 VAL 411 -3.474 4.619 9.425 153 HG23 VAL 411 3HG2 VAL 411 -2.513 4.074 8.049 154 HA PRO 412 HA PRO 412 -5.810 -1.514 11.377 155 HB2 PRO 412 2HB PRO 412 -8.455 -1.174 11.603 156 HB3 PRO 412 1HB PRO 412 -7.364 -0.642 12.893 157 HG2 PRO 412 2HG PRO 412 -8.590 0.980 10.676 158 HG3 PRO 412 1HG PRO 412 -8.540 1.340 12.415 159 HD2 PRO 412 2HD PRO 412 -6.786 2.415 10.670 160 HD3 PRO 412 1HD PRO 412 -6.331 2.009 12.338 161 H GLU 413 H GLU 413 -7.452 -2.972 10.241 162 HA GLU 413 HA GLU 413 -7.464 -2.327 7.399 163 HB2 GLU 413 2HB GLU 413 -8.000 -4.940 8.827 164 HB3 GLU 413 1HB GLU 413 -7.918 -4.726 7.082 165 HG2 GLU 413 2HG GLU 413 -5.691 -4.785 7.064 166 HG3 GLU 413 1HG GLU 413 -5.558 -3.739 8.477 167 H LYS 414 H LYS 414 -9.455 -2.794 6.142 168 HA LYS 414 HA LYS 414 -11.782 -2.183 7.808 169 HB2 LYS 414 2HB LYS 414 -12.700 -1.533 5.385 170 HB3 LYS 414 1HB LYS 414 -11.893 -0.411 6.465 171 HG2 LYS 414 2HG LYS 414 -9.828 -1.568 5.079 172 HG3 LYS 414 1HG LYS 414 -11.104 -1.397 3.872 173 HD2 LYS 414 2HD LYS 414 -9.642 0.672 5.416 174 HD3 LYS 414 1HD LYS 414 -10.089 0.647 3.712 175 HE2 LYS 414 2HE LYS 414 -12.357 1.182 4.250 176 HE3 LYS 414 1HE LYS 414 -12.034 1.006 5.974 177 HZ1 LYS 414 1HZ LYS 414 -10.324 2.872 5.563 178 HZ2 LYS 414 2HZ LYS 414 -11.960 3.285 5.653 179 HZ3 LYS 414 3HZ LYS 414 -11.200 3.182 4.145 180 H GLU 415 H GLU 415 -10.807 -4.134 5.032 181 HA GLU 415 HA GLU 415 -11.578 -6.082 4.187 182 HB2 GLU 415 2HB GLU 415 -13.101 -6.278 6.791 183 HB3 GLU 415 1HB GLU 415 -12.959 -7.574 5.611 184 HG2 GLU 415 2HG GLU 415 -10.473 -7.447 5.919 185 HG3 GLU 415 1HG GLU 415 -10.771 -6.348 7.264 186 H GLY 416 H GLY 416 -14.487 -5.073 5.964 187 HA2 GLY 416 2HA GLY 416 -16.138 -5.510 3.636 188 HA3 GLY 416 1HA GLY 416 -16.679 -4.952 5.212 189 H TYR 417 H TYR 417 -14.597 -3.784 2.595 190 HA TYR 417 HA TYR 417 -16.220 -1.453 2.142 191 HB2 TYR 417 2HB TYR 417 -15.140 -0.472 3.970 192 HB3 TYR 417 1HB TYR 417 -13.649 -1.347 3.690 193 HD1 TYR 417 1HD TYR 417 -12.109 -0.555 1.853 194 HD2 TYR 417 2HD TYR 417 -15.451 1.722 3.165 195 HE1 TYR 417 1HE TYR 417 -11.082 1.464 0.915 196 HE2 TYR 417 2HE TYR 417 -14.437 3.751 2.219 197 HH TYR 417 HH TYR 417 -11.715 4.379 1.696 198 H GLU 418 H GLU 418 -15.278 -0.184 0.286 199 HA GLU 418 HA GLU 418 -13.046 -1.131 -1.168 200 HB2 GLU 418 2HB GLU 418 -14.968 -2.926 -1.481 201 HB3 GLU 418 1HB GLU 418 -15.600 -1.743 -2.617 202 HG2 GLU 418 2HG GLU 418 -14.324 -3.298 -3.860 203 HG3 GLU 418 1HG GLU 418 -13.390 -1.807 -3.786 204 HA PRO 419 HA PRO 419 -13.638 2.972 -2.758 205 HB2 PRO 419 2HB PRO 419 -12.196 2.761 -5.081 206 HB3 PRO 419 1HB PRO 419 -11.472 2.987 -3.485 207 HG2 PRO 419 2HG PRO 419 -11.835 0.470 -5.063 208 HG3 PRO 419 1HG PRO 419 -10.429 1.012 -4.124 209 HD2 PRO 419 2HD PRO 419 -12.141 -0.812 -3.158 210 HD3 PRO 419 1HD PRO 419 -11.387 0.402 -2.103 211 H HIS 420 H HIS 420 -14.803 0.193 -4.253 212 HA HIS 420 HA HIS 420 -16.181 -0.287 -5.992 213 HB2 HIS 420 2HB HIS 420 -18.325 1.085 -5.917 214 HB3 HIS 420 1HB HIS 420 -17.855 0.256 -4.444 215 HD1 HIS 420 1HD HIS 420 -16.876 1.848 -2.489 216 HD2 HIS 420 2HD HIS 420 -18.647 3.778 -5.718 217 HE1 HIS 420 1HE HIS 420 -17.376 4.205 -1.725 218 H ILE 421 H ILE 421 -17.832 2.284 -6.968 219 HA ILE 421 HA ILE 421 -15.847 3.168 -8.914 220 HB ILE 421 HB ILE 421 -17.536 1.196 -9.641 221 HG12 ILE 421 2HG1 ILE 421 -16.786 3.465 -11.484 222 HG13 ILE 421 1HG1 ILE 421 -15.652 2.245 -10.918 223 HG21 ILE 421 1HG2 ILE 421 -18.996 3.732 -10.361 224 HG22 ILE 421 2HG2 ILE 421 -19.560 2.476 -9.260 225 HG23 ILE 421 3HG2 ILE 421 -19.372 2.122 -10.977 226 HD11 ILE 421 1HD1 ILE 421 -18.048 1.850 -12.688 227 HD12 ILE 421 2HD1 ILE 421 -17.149 0.519 -11.958 228 HD13 ILE 421 3HD1 ILE 421 -16.348 1.609 -13.090 229 HA PRO 422 HA PRO 422 -17.489 7.203 -8.195 230 HB2 PRO 422 2HB PRO 422 -17.284 8.222 -10.747 231 HB3 PRO 422 1HB PRO 422 -15.941 8.101 -9.604 232 HG2 PRO 422 2HG PRO 422 -16.719 6.240 -11.818 233 HG3 PRO 422 1HG PRO 422 -15.108 6.848 -11.382 234 HD2 PRO 422 2HD PRO 422 -15.853 4.410 -10.662 235 HD3 PRO 422 1HD PRO 422 -14.954 5.440 -9.525 236 H ASP 423 H ASP 423 -18.937 8.869 -9.527 237 HA ASP 423 HA ASP 423 -21.553 7.796 -9.501 238 HB2 ASP 423 2HB ASP 423 -22.241 10.064 -10.216 239 HB3 ASP 423 1HB ASP 423 -21.128 10.099 -8.852 240 H HIS 424 H HIS 424 -19.344 8.644 -12.127 241 HA HIS 424 HA HIS 424 -21.093 7.166 -13.941 242 HB2 HIS 424 2HB HIS 424 -20.965 8.842 -15.686 243 HB3 HIS 424 1HB HIS 424 -21.637 9.569 -14.235 244 HD1 HIS 424 1HD HIS 424 -20.078 11.313 -12.956 245 HD2 HIS 424 2HD HIS 424 -18.640 9.945 -16.621 246 HE1 HIS 424 1HE HIS 424 -18.199 12.868 -13.622 247 H LEU 425 H LEU 425 -19.733 7.379 -16.267 248 HA LEU 425 HA LEU 425 -17.463 5.716 -15.774 249 HB2 LEU 425 2HB LEU 425 -18.463 6.943 -18.346 250 HB3 LEU 425 1HB LEU 425 -17.217 5.715 -18.232 251 HG LEU 425 HG LEU 425 -20.091 5.344 -17.377 252 HD11 LEU 425 1HD1 LEU 425 -20.271 3.914 -19.355 253 HD12 LEU 425 2HD1 LEU 425 -18.632 4.361 -19.826 254 HD13 LEU 425 3HD1 LEU 425 -19.904 5.582 -19.790 255 HD21 LEU 425 1HD2 LEU 425 -18.561 3.956 -16.100 256 HD22 LEU 425 2HD2 LEU 425 -17.798 3.394 -17.588 257 HD23 LEU 425 3HD2 LEU 425 -19.475 2.968 -17.242 258 H ARG 426 H ARG 426 -16.099 7.066 -14.562 259 HA ARG 426 HA ARG 426 -14.572 8.971 -16.196 260 HB2 ARG 426 2HB ARG 426 -14.234 10.288 -14.049 261 HB3 ARG 426 1HB ARG 426 -15.841 10.374 -14.759 262 HG2 ARG 426 2HG ARG 426 -16.460 8.491 -13.156 263 HG3 ARG 426 1HG ARG 426 -14.948 8.866 -12.330 264 HD2 ARG 426 2HD ARG 426 -17.109 10.887 -12.891 265 HD3 ARG 426 1HD ARG 426 -16.975 9.986 -11.383 266 HE ARG 426 HE ARG 426 -14.559 11.379 -12.110 267 HH11 ARG 426 1HH1 ARG 426 -17.685 11.662 -10.511 268 HH12 ARG 426 2HH1 ARG 426 -17.170 12.981 -9.504 269 HH21 ARG 426 1HH2 ARG 426 -13.889 13.083 -10.784 270 HH22 ARG 426 2HH2 ARG 426 -15.015 13.793 -9.660 271 HA PRO 427 HA PRO 427 -11.188 6.581 -14.675 272 HB2 PRO 427 2HB PRO 427 -9.119 8.103 -15.392 273 HB3 PRO 427 1HB PRO 427 -10.197 7.396 -16.601 274 HG2 PRO 427 2HG PRO 427 -10.069 10.194 -15.579 275 HG3 PRO 427 1HG PRO 427 -10.425 9.609 -17.213 276 HD2 PRO 427 2HD PRO 427 -12.308 10.404 -15.289 277 HD3 PRO 427 1HD PRO 427 -12.649 9.496 -16.773 278 H GLU 428 H GLU 428 -12.373 8.677 -12.766 279 HA GLU 428 HA GLU 428 -10.403 8.316 -10.721 280 HB2 GLU 428 2HB GLU 428 -10.523 10.921 -10.243 281 HB3 GLU 428 1HB GLU 428 -9.293 10.233 -11.287 282 HG2 GLU 428 2HG GLU 428 -10.091 12.156 -12.374 283 HG3 GLU 428 1HG GLU 428 -10.789 10.783 -13.231 284 H TYR 429 H TYR 429 -11.181 9.594 -8.652 285 HA TYR 429 HA TYR 429 -14.066 9.055 -8.484 286 HB2 TYR 429 2HB TYR 429 -12.301 7.926 -6.945 287 HB3 TYR 429 1HB TYR 429 -12.272 9.475 -6.108 288 HD1 TYR 429 1HD TYR 429 -14.735 6.941 -7.333 289 HD2 TYR 429 2HD TYR 429 -13.718 9.777 -4.329 290 HE1 TYR 429 1HE TYR 429 -16.717 6.271 -6.038 291 HE2 TYR 429 2HE TYR 429 -15.695 9.114 -3.026 292 HH TYR 429 HH TYR 429 -17.608 6.340 -3.857 293 H GLY 430 H GLY 430 -11.687 11.545 -8.279 294 HA2 GLY 430 2HA GLY 430 -12.897 13.764 -8.732 295 HA3 GLY 430 1HA GLY 430 -13.698 13.415 -7.209 296 H LEU 431 H LEU 431 -10.906 12.186 -6.474 297 HA LEU 431 HA LEU 431 -9.830 14.758 -5.519 298 HB2 LEU 431 2HB LEU 431 -9.457 11.966 -4.425 299 HB3 LEU 431 1HB LEU 431 -8.729 13.415 -3.757 300 HG LEU 431 HG LEU 431 -11.706 12.940 -3.925 301 HD11 LEU 431 1HD1 LEU 431 -9.812 12.601 -1.606 302 HD12 LEU 431 2HD1 LEU 431 -10.710 11.325 -2.427 303 HD13 LEU 431 3HD1 LEU 431 -11.571 12.553 -1.500 304 HD21 LEU 431 1HD2 LEU 431 -11.081 15.294 -3.895 305 HD22 LEU 431 2HD2 LEU 431 -10.077 15.022 -2.471 306 HD23 LEU 431 3HD2 LEU 431 -11.827 14.824 -2.367 307 H GLU 432 H GLU 432 -9.377 12.714 -7.936 308 HA GLU 432 HA GLU 432 -6.523 12.332 -7.774 309 HB2 GLU 432 2HB GLU 432 -8.601 11.653 -9.842 310 HB3 GLU 432 1HB GLU 432 -6.883 11.432 -10.144 311 HG2 GLU 432 2HG GLU 432 -8.033 9.375 -9.408 312 HG3 GLU 432 1HG GLU 432 -6.706 9.852 -8.352 313 H ALA 433 H ALA 433 -6.973 14.993 -7.591 314 HA ALA 433 HA ALA 433 -6.761 16.284 -10.152 315 HB1 ALA 433 1HB ALA 433 -7.735 17.405 -8.164 316 HB2 ALA 433 2HB ALA 433 -6.415 18.322 -8.891 317 HB3 ALA 433 3HB ALA 433 -6.139 17.398 -7.414 318 H ALA 434 H ALA 434 -4.713 14.675 -8.023 319 HA ALA 434 HA ALA 434 -2.427 14.967 -9.698 320 HB1 ALA 434 1HB ALA 434 -0.925 15.959 -8.088 321 HB2 ALA 434 2HB ALA 434 -2.212 16.051 -6.886 322 HB3 ALA 434 3HB ALA 434 -2.289 17.050 -8.337 323 H MET 1 2HT MET 1 1.291 -10.359 -9.363 324 HA MET 1 HA MET 1 0.409 -12.342 -10.359 325 HB2 MET 1 2HB MET 1 0.610 -11.511 -12.707 326 HB3 MET 1 1HB MET 1 2.345 -11.781 -12.615 327 HG2 MET 1 2HG MET 1 2.002 -14.148 -12.318 328 HG3 MET 1 1HG MET 1 0.255 -13.918 -12.274 329 HE1 MET 1 1HE MET 1 -0.513 -12.781 -15.939 330 HE2 MET 1 2HE MET 1 -0.139 -11.714 -14.585 331 HE3 MET 1 3HE MET 1 -1.180 -13.116 -14.340 332 H ALA 2 H ALA 2 3.784 -11.326 -10.850 333 HA ALA 2 HA ALA 2 4.628 -13.477 -9.012 334 HB1 ALA 2 1HB ALA 2 6.673 -13.750 -10.320 335 HB2 ALA 2 2HB ALA 2 6.129 -12.516 -11.457 336 HB3 ALA 2 3HB ALA 2 5.256 -14.044 -11.329 337 H THR 3 H THR 3 7.280 -11.745 -10.060 338 HA THR 3 HA THR 3 6.869 -9.389 -8.484 339 HB THR 3 HB THR 3 9.012 -11.269 -7.494 340 HG1 THR 3 1HG THR 3 6.372 -11.139 -6.901 341 HG21 THR 3 1HG2 THR 3 9.515 -8.861 -7.342 342 HG22 THR 3 2HG2 THR 3 9.282 -9.576 -5.747 343 HG23 THR 3 3HG2 THR 3 8.000 -8.608 -6.476 344 H SER 4 H SER 4 7.343 -8.356 -10.341 345 HA SER 4 HA SER 4 10.158 -7.808 -10.726 346 HB2 SER 4 2HB SER 4 8.432 -8.827 -13.007 347 HB3 SER 4 1HB SER 4 10.032 -8.113 -13.199 348 HG SER 4 HG SER 4 10.034 -10.114 -11.359 349 H SER 5 H SER 5 6.844 -7.388 -11.701 350 HA SER 5 HA SER 5 6.580 -4.675 -11.157 351 HB2 SER 5 2HB SER 5 7.392 -5.348 -13.972 352 HB3 SER 5 1HB SER 5 6.275 -4.016 -13.678 353 HG SER 5 HG SER 5 8.520 -4.032 -12.081 354 H GLU 6 H GLU 6 4.768 -5.769 -10.273 355 HA GLU 6 HA GLU 6 2.981 -7.175 -12.049 356 HB2 GLU 6 2HB GLU 6 2.526 -6.604 -9.135 357 HB3 GLU 6 1HB GLU 6 1.862 -7.911 -10.107 358 HG2 GLU 6 2HG GLU 6 4.632 -7.596 -9.022 359 HG3 GLU 6 1HG GLU 6 3.499 -8.929 -8.807 360 H GLU 7 H GLU 7 0.599 -6.835 -11.435 361 HA GLU 7 HA GLU 7 -0.333 -4.563 -12.665 362 HB2 GLU 7 2HB GLU 7 -1.809 -6.139 -10.549 363 HB3 GLU 7 1HB GLU 7 -2.521 -5.190 -11.845 364 HG2 GLU 7 2HG GLU 7 -2.721 -7.232 -12.786 365 HG3 GLU 7 1HG GLU 7 -1.088 -6.865 -13.331 366 H VAL 8 H VAL 8 0.113 -2.547 -12.050 367 HA VAL 8 HA VAL 8 0.273 -1.808 -9.263 368 HB VAL 8 HB VAL 8 0.341 0.062 -11.638 369 HG11 VAL 8 1HG1 VAL 8 1.526 0.309 -8.877 370 HG12 VAL 8 2HG1 VAL 8 0.028 1.071 -9.411 371 HG13 VAL 8 3HG1 VAL 8 1.563 1.528 -10.152 372 HG21 VAL 8 1HG2 VAL 8 2.016 -1.722 -11.923 373 HG22 VAL 8 2HG2 VAL 8 2.679 -1.332 -10.336 374 HG23 VAL 8 3HG2 VAL 8 2.757 -0.147 -11.641 375 H LEU 9 H LEU 9 -1.512 -1.437 -8.140 376 HA LEU 9 HA LEU 9 -3.972 -0.694 -9.509 377 HB2 LEU 9 2HB LEU 9 -3.584 -1.240 -6.571 378 HB3 LEU 9 1HB LEU 9 -5.094 -1.218 -7.458 379 HG LEU 9 HG LEU 9 -2.900 -3.272 -7.742 380 HD11 LEU 9 1HD1 LEU 9 -4.534 -4.798 -6.764 381 HD12 LEU 9 2HD1 LEU 9 -5.675 -3.465 -6.578 382 HD13 LEU 9 3HD1 LEU 9 -4.164 -3.469 -5.666 383 HD21 LEU 9 1HD2 LEU 9 -5.592 -3.122 -9.097 384 HD22 LEU 9 2HD2 LEU 9 -4.440 -4.450 -9.219 385 HD23 LEU 9 3HD2 LEU 9 -4.030 -2.867 -9.875 386 H LEU 10 H LEU 10 -1.598 0.653 -7.310 387 HA LEU 10 HA LEU 10 -3.018 3.233 -7.518 388 HB2 LEU 10 2HB LEU 10 -3.332 1.987 -5.295 389 HB3 LEU 10 1HB LEU 10 -1.655 2.395 -4.977 390 HG LEU 10 HG LEU 10 -2.300 4.818 -5.330 391 HD11 LEU 10 1HD1 LEU 10 -4.386 4.486 -6.524 392 HD12 LEU 10 2HD1 LEU 10 -4.657 5.394 -5.038 393 HD13 LEU 10 3HD1 LEU 10 -5.081 3.685 -5.115 394 HD21 LEU 10 1HD2 LEU 10 -3.612 3.326 -3.066 395 HD22 LEU 10 2HD2 LEU 10 -3.238 5.049 -3.087 396 HD23 LEU 10 3HD2 LEU 10 -1.934 3.863 -3.118 397 H ILE 11 H ILE 11 -1.761 4.913 -8.044 398 HA ILE 11 HA ILE 11 1.158 4.542 -7.884 399 HB ILE 11 HB ILE 11 -0.386 6.020 -10.026 400 HG12 ILE 11 2HG1 ILE 11 1.314 3.520 -10.189 401 HG13 ILE 11 1HG1 ILE 11 -0.445 3.551 -10.219 402 HG21 ILE 11 1HG2 ILE 11 1.723 7.139 -9.470 403 HG22 ILE 11 2HG2 ILE 11 1.775 6.420 -11.081 404 HG23 ILE 11 3HG2 ILE 11 2.593 5.627 -9.733 405 HD11 ILE 11 1HD1 ILE 11 0.523 3.284 -12.445 406 HD12 ILE 11 2HD1 ILE 11 1.351 4.829 -12.266 407 HD13 ILE 11 3HD1 ILE 11 -0.410 4.774 -12.308 408 H VAL 12 H VAL 12 1.899 5.777 -6.317 409 HA VAL 12 HA VAL 12 0.799 8.495 -5.967 410 HB VAL 12 HB VAL 12 2.246 6.739 -3.971 411 HG11 VAL 12 1HG1 VAL 12 1.074 9.499 -3.638 412 HG12 VAL 12 2HG1 VAL 12 2.791 9.091 -3.640 413 HG13 VAL 12 3HG1 VAL 12 1.747 8.503 -2.346 414 HG21 VAL 12 1HG2 VAL 12 0.094 6.742 -2.781 415 HG22 VAL 12 2HG2 VAL 12 -0.026 5.999 -4.376 416 HG23 VAL 12 3HG2 VAL 12 -0.629 7.636 -4.118 417 H LYS 13 H LYS 13 2.152 10.178 -6.309 418 HA LYS 13 HA LYS 13 4.913 9.525 -7.070 419 HB2 LYS 13 2HB LYS 13 3.702 12.223 -7.539 420 HB3 LYS 13 1HB LYS 13 4.931 11.378 -8.469 421 HG2 LYS 13 2HG LYS 13 3.165 11.213 -9.897 422 HG3 LYS 13 1HG LYS 13 2.937 9.729 -8.967 423 HD2 LYS 13 2HD LYS 13 1.542 11.396 -7.425 424 HD3 LYS 13 1HD LYS 13 1.360 12.240 -8.964 425 HE2 LYS 13 2HE LYS 13 0.227 10.467 -9.945 426 HE3 LYS 13 1HE LYS 13 0.851 9.298 -8.780 427 HZ1 LYS 13 1HZ LYS 13 -1.194 11.396 -8.284 428 HZ2 LYS 13 2HZ LYS 13 -0.509 10.428 -7.065 429 HZ3 LYS 13 3HZ LYS 13 -1.430 9.716 -8.294 430 H LYS 14 H LYS 14 6.563 11.183 -6.546 431 HA LYS 14 HA LYS 14 7.880 12.050 -4.934 432 HB2 LYS 14 2HB LYS 14 5.416 13.648 -5.048 433 HB3 LYS 14 1HB LYS 14 6.491 13.979 -3.692 434 HG2 LYS 14 2HG LYS 14 8.322 14.396 -5.258 435 HG3 LYS 14 1HG LYS 14 7.244 14.048 -6.612 436 HD2 LYS 14 2HD LYS 14 6.452 16.127 -6.590 437 HD3 LYS 14 1HD LYS 14 6.077 16.021 -4.869 438 HE2 LYS 14 2HE LYS 14 8.929 16.329 -5.531 439 HE3 LYS 14 1HE LYS 14 7.908 17.710 -5.932 440 HZ1 LYS 14 1HZ LYS 14 7.266 17.972 -3.714 441 HZ2 LYS 14 2HZ LYS 14 8.929 17.660 -3.629 442 HZ3 LYS 14 3HZ LYS 14 7.821 16.436 -3.265 443 H VAL 15 H VAL 15 7.868 10.025 -3.815 444 HA VAL 15 HA VAL 15 6.744 10.275 -1.102 445 HB VAL 15 HB VAL 15 7.132 7.691 -2.634 446 HG11 VAL 15 1HG1 VAL 15 5.960 8.216 0.095 447 HG12 VAL 15 2HG1 VAL 15 7.486 7.403 -0.253 448 HG13 VAL 15 3HG1 VAL 15 5.962 6.658 -0.733 449 HG21 VAL 15 1HG2 VAL 15 4.558 9.045 -1.845 450 HG22 VAL 15 2HG2 VAL 15 4.725 7.523 -2.718 451 HG23 VAL 15 3HG2 VAL 15 5.239 9.033 -3.471 452 H ARG 16 H ARG 16 8.305 10.394 0.365 453 HA ARG 16 HA ARG 16 11.027 9.673 -0.422 454 HB2 ARG 16 2HB ARG 16 9.829 11.514 1.590 455 HB3 ARG 16 1HB ARG 16 11.430 10.864 1.903 456 HG2 ARG 16 2HG ARG 16 12.219 11.772 -0.212 457 HG3 ARG 16 1HG ARG 16 10.608 12.419 -0.534 458 HD2 ARG 16 2HD ARG 16 10.748 13.885 1.343 459 HD3 ARG 16 1HD ARG 16 12.240 13.125 1.894 460 HE ARG 16 HE ARG 16 12.261 14.379 -0.748 461 HH11 ARG 16 1HH1 ARG 16 13.146 14.526 2.649 462 HH12 ARG 16 2HH1 ARG 16 14.320 15.790 2.412 463 HH21 ARG 16 1HH2 ARG 16 13.813 16.027 -1.036 464 HH22 ARG 16 2HH2 ARG 16 14.692 16.638 0.340 465 H GLN 17 H GLN 17 12.217 8.189 0.543 466 HA GLN 17 HA GLN 17 11.165 6.858 2.947 467 HB2 GLN 17 2HB GLN 17 11.118 5.636 0.562 468 HB3 GLN 17 1HB GLN 17 12.794 5.309 0.980 469 HG2 GLN 17 2HG GLN 17 10.466 4.621 2.754 470 HG3 GLN 17 1HG GLN 17 11.171 3.511 1.581 471 HE21 GLN 17 1HE2 GLN 17 13.240 2.697 1.945 472 HE22 GLN 17 2HE2 GLN 17 13.980 2.750 3.504 473 H LYS 18 H LYS 18 12.502 7.677 4.440 474 HA LYS 18 HA LYS 18 14.346 8.423 5.510 475 HB2 LYS 18 2HB LYS 18 14.895 5.719 4.500 476 HB3 LYS 18 1HB LYS 18 16.270 6.591 5.171 477 HG2 LYS 18 2HG LYS 18 13.676 5.914 6.551 478 HG3 LYS 18 1HG LYS 18 15.272 5.249 6.893 479 HD2 LYS 18 2HD LYS 18 15.294 6.810 8.525 480 HD3 LYS 18 1HD LYS 18 15.759 7.894 7.214 481 HE2 LYS 18 2HE LYS 18 13.519 8.660 6.948 482 HE3 LYS 18 1HE LYS 18 12.897 7.402 8.013 483 HZ1 LYS 18 1HZ LYS 18 13.013 9.585 9.089 484 HZ2 LYS 18 2HZ LYS 18 14.694 9.615 8.869 485 HZ3 LYS 18 3HZ LYS 18 13.980 8.439 9.877 486 H LYS 19 H LYS 19 14.410 10.192 3.847 487 HA LYS 19 HA LYS 19 15.636 11.725 2.749 488 HB2 LYS 19 2HB LYS 19 17.635 9.897 3.848 489 HB3 LYS 19 1HB LYS 19 18.208 10.967 2.573 490 HG2 LYS 19 2HG LYS 19 16.668 12.072 4.878 491 HG3 LYS 19 1HG LYS 19 18.372 11.665 5.078 492 HD2 LYS 19 2HD LYS 19 18.856 13.099 3.080 493 HD3 LYS 19 1HD LYS 19 17.171 13.618 3.121 494 HE2 LYS 19 2HE LYS 19 19.336 14.110 5.143 495 HE3 LYS 19 1HE LYS 19 18.346 15.285 4.280 496 HZ1 LYS 19 1HZ LYS 19 16.412 14.437 5.510 497 HZ2 LYS 19 2HZ LYS 19 17.585 15.126 6.516 498 HZ3 LYS 19 3HZ LYS 19 17.437 13.436 6.425 499 H GLN 20 H GLN 20 14.397 9.506 1.261 500 HA GLN 20 HA GLN 20 15.958 9.855 -1.205 501 HB2 GLN 20 2HB GLN 20 14.626 7.254 -0.421 502 HB3 GLN 20 1HB GLN 20 15.555 7.558 -1.881 503 HG2 GLN 20 2HG GLN 20 17.582 7.756 -0.626 504 HG3 GLN 20 1HG GLN 20 16.696 7.676 0.897 505 HE21 GLN 20 1HE2 GLN 20 15.706 5.702 1.486 506 HE22 GLN 20 2HE2 GLN 20 16.303 4.200 0.867 507 H ASP 21 H ASP 21 14.680 10.902 -2.612 508 HA ASP 21 HA ASP 21 11.799 10.834 -2.274 509 HB2 ASP 21 2HB ASP 21 13.693 12.658 -3.456 510 HB3 ASP 21 1HB ASP 21 12.439 12.261 -4.627 511 H GLY 22 H GLY 22 10.356 9.878 -3.628 512 HA2 GLY 22 2HA GLY 22 11.091 8.862 -6.194 513 HA3 GLY 22 1HA GLY 22 11.005 7.588 -4.989 514 H ALA 23 H ALA 23 9.287 6.584 -5.988 515 HA ALA 23 HA ALA 23 6.700 7.916 -5.563 516 HB1 ALA 23 1HB ALA 23 5.854 7.030 -7.675 517 HB2 ALA 23 2HB ALA 23 7.440 6.350 -8.037 518 HB3 ALA 23 3HB ALA 23 7.229 8.100 -7.948 519 H LEU 24 H LEU 24 5.039 6.551 -4.943 520 HA LEU 24 HA LEU 24 5.895 3.840 -4.170 521 HB2 LEU 24 2HB LEU 24 5.222 5.412 -2.343 522 HB3 LEU 24 1HB LEU 24 3.612 5.456 -3.041 523 HG LEU 24 HG LEU 24 3.699 2.871 -2.764 524 HD11 LEU 24 1HD1 LEU 24 6.084 2.808 -2.156 525 HD12 LEU 24 2HD1 LEU 24 5.037 2.076 -0.938 526 HD13 LEU 24 3HD1 LEU 24 5.702 3.690 -0.675 527 HD21 LEU 24 1HD2 LEU 24 3.426 4.696 -0.379 528 HD22 LEU 24 2HD2 LEU 24 2.751 3.073 -0.529 529 HD23 LEU 24 3HD2 LEU 24 2.171 4.368 -1.576 530 H TYR 25 H TYR 25 4.962 2.161 -5.107 531 HA TYR 25 HA TYR 25 2.499 2.641 -6.653 532 HB2 TYR 25 2HB TYR 25 4.727 0.689 -7.278 533 HB3 TYR 25 1HB TYR 25 3.261 0.915 -8.223 534 HD1 TYR 25 1HD TYR 25 6.497 2.397 -7.288 535 HD2 TYR 25 2HD TYR 25 3.033 2.775 -9.728 536 HE1 TYR 25 1HE TYR 25 7.644 4.098 -8.642 537 HE2 TYR 25 2HE TYR 25 4.169 4.480 -11.087 538 HH TYR 25 HH TYR 25 7.559 5.157 -10.729 539 H LEU 26 H LEU 26 0.825 1.701 -5.663 540 HA LEU 26 HA LEU 26 1.220 -0.618 -3.980 541 HB2 LEU 26 2HB LEU 26 -1.324 0.782 -4.812 542 HB3 LEU 26 1HB LEU 26 -1.249 -0.561 -3.690 543 HG LEU 26 HG LEU 26 -0.470 2.279 -3.294 544 HD11 LEU 26 1HD1 LEU 26 -1.607 1.931 -1.164 545 HD12 LEU 26 2HD1 LEU 26 -1.825 0.225 -1.556 546 HD13 LEU 26 3HD1 LEU 26 -2.636 1.461 -2.518 547 HD21 LEU 26 1HD2 LEU 26 0.830 1.690 -1.318 548 HD22 LEU 26 2HD2 LEU 26 1.581 1.096 -2.798 549 HD23 LEU 26 3HD2 LEU 26 0.702 -0.015 -1.748 550 H MET 27 H MET 27 1.166 -2.633 -4.714 551 HA MET 27 HA MET 27 0.149 -3.031 -7.444 552 HB2 MET 27 2HB MET 27 1.839 -5.082 -6.124 553 HB3 MET 27 1HB MET 27 1.769 -4.560 -7.803 554 HG2 MET 27 2HG MET 27 2.838 -2.393 -6.985 555 HG3 MET 27 1HG MET 27 3.219 -3.295 -5.519 556 HE1 MET 27 1HE MET 27 3.462 -3.513 -9.453 557 HE2 MET 27 2HE MET 27 5.222 -3.436 -9.542 558 HE3 MET 27 3HE MET 27 4.318 -2.141 -8.755 559 H ALA 28 H ALA 28 -0.721 -5.200 -7.861 560 HA ALA 28 HA ALA 28 -3.022 -5.721 -6.516 561 HB1 ALA 28 1HB ALA 28 -2.477 -6.589 -8.728 562 HB2 ALA 28 2HB ALA 28 -3.064 -7.865 -7.662 563 HB3 ALA 28 3HB ALA 28 -1.339 -7.725 -8.005 564 H GLU 29 H GLU 29 0.019 -7.568 -6.048 565 HA GLU 29 HA GLU 29 -1.186 -8.664 -3.592 566 HB2 GLU 29 2HB GLU 29 1.302 -9.816 -4.746 567 HB3 GLU 29 1HB GLU 29 -0.033 -10.618 -3.934 568 HG2 GLU 29 2HG GLU 29 -0.450 -11.364 -6.019 569 HG3 GLU 29 1HG GLU 29 -1.297 -9.821 -6.155 570 H ARG 30 H ARG 30 0.759 -6.115 -4.212 571 HA ARG 30 HA ARG 30 2.043 -6.290 -1.655 572 HB2 ARG 30 2HB ARG 30 4.324 -6.458 -2.283 573 HB3 ARG 30 1HB ARG 30 3.490 -7.763 -3.113 574 HG2 ARG 30 2HG ARG 30 3.364 -6.127 -5.103 575 HG3 ARG 30 1HG ARG 30 4.618 -5.230 -4.246 576 HD2 ARG 30 2HD ARG 30 5.499 -6.831 -5.928 577 HD3 ARG 30 1HD ARG 30 6.089 -7.121 -4.292 578 HE ARG 30 HE ARG 30 5.193 -9.201 -4.437 579 HH11 ARG 30 1HH1 ARG 30 3.329 -7.115 -6.542 580 HH12 ARG 30 2HH1 ARG 30 2.311 -8.396 -7.135 581 HH21 ARG 30 1HH2 ARG 30 3.876 -10.890 -5.233 582 HH22 ARG 30 2HH2 ARG 30 2.654 -10.548 -6.423 583 H ILE 31 H ILE 31 3.689 -4.487 -1.372 584 HA ILE 31 HA ILE 31 2.876 -2.121 -2.925 585 HB ILE 31 HB ILE 31 1.940 -1.728 -0.792 586 HG12 ILE 31 2HG1 ILE 31 4.687 -0.463 -0.675 587 HG13 ILE 31 1HG1 ILE 31 3.334 0.152 -1.618 588 HG21 ILE 31 1HG2 ILE 31 3.112 -2.098 1.324 589 HG22 ILE 31 2HG2 ILE 31 4.501 -2.727 0.436 590 HG23 ILE 31 3HG2 ILE 31 2.960 -3.585 0.386 591 HD11 ILE 31 1HD1 ILE 31 2.076 0.545 0.424 592 HD12 ILE 31 2HD1 ILE 31 3.628 1.381 0.465 593 HD13 ILE 31 3HD1 ILE 31 3.405 -0.111 1.380 594 H ALA 32 H ALA 32 4.533 -1.068 -3.886 595 HA ALA 32 HA ALA 32 7.238 -1.659 -2.908 596 HB1 ALA 32 1HB ALA 32 6.542 -1.535 -5.828 597 HB2 ALA 32 2HB ALA 32 6.618 -3.037 -4.907 598 HB3 ALA 32 3HB ALA 32 8.063 -2.043 -5.093 599 H TRP 33 H TRP 33 8.796 -0.105 -3.257 600 HA TRP 33 HA TRP 33 7.818 2.527 -4.138 601 HB2 TRP 33 2HB TRP 33 7.962 2.557 -1.707 602 HB3 TRP 33 1HB TRP 33 9.594 1.912 -1.765 603 HD1 TRP 33 HD TRP 33 7.640 5.150 -2.282 604 HE1 TRP 33 1HE TRP 33 9.302 7.119 -2.370 605 HE3 TRP 33 3HE TRP 33 12.025 2.519 -2.345 606 HZ2 TRP 33 2HZ TRP 33 12.088 7.499 -2.461 607 HZ3 TRP 33 3HZ TRP 33 14.144 3.764 -2.435 608 HH2 TRP 33 HH TRP 33 14.171 6.203 -2.493 609 H ALA 34 H ALA 34 9.134 3.627 -5.470 610 HA ALA 34 HA ALA 34 11.852 2.593 -5.928 611 HB1 ALA 34 1HB ALA 34 9.865 3.359 -8.072 612 HB2 ALA 34 2HB ALA 34 10.401 1.721 -7.697 613 HB3 ALA 34 3HB ALA 34 11.547 2.898 -8.342 614 HA PRO 35 HA PRO 35 12.983 6.864 -5.449 615 HB2 PRO 35 2HB PRO 35 15.056 6.363 -7.511 616 HB3 PRO 35 1HB PRO 35 15.238 6.926 -5.847 617 HG2 PRO 35 2HG PRO 35 15.931 4.440 -6.549 618 HG3 PRO 35 1HG PRO 35 15.191 4.784 -4.975 619 HD2 PRO 35 2HD PRO 35 13.960 3.606 -7.434 620 HD3 PRO 35 1HD PRO 35 13.701 3.181 -5.729 621 H GLU 36 H GLU 36 12.993 8.864 -6.652 622 HA GLU 36 HA GLU 36 11.047 8.977 -8.636 623 HB2 GLU 36 2HB GLU 36 12.873 10.877 -7.376 624 HB3 GLU 36 1HB GLU 36 12.407 11.313 -9.015 625 HG2 GLU 36 2HG GLU 36 10.553 10.731 -6.723 626 HG3 GLU 36 1HG GLU 36 10.903 12.312 -7.417 627 H GLY 37 H GLY 37 11.004 9.187 -10.769 628 HA2 GLY 37 2HA GLY 37 11.670 8.979 -12.953 629 HA3 GLY 37 1HA GLY 37 13.272 9.488 -12.439 630 H LYS 38 H LYS 38 12.185 6.801 -10.696 631 HA LYS 38 HA LYS 38 13.738 5.019 -12.471 632 HB2 LYS 38 2HB LYS 38 13.362 4.736 -9.484 633 HB3 LYS 38 1HB LYS 38 14.360 3.718 -10.513 634 HG2 LYS 38 2HG LYS 38 14.809 6.646 -9.964 635 HG3 LYS 38 1HG LYS 38 15.705 5.305 -9.248 636 HD2 LYS 38 2HD LYS 38 16.841 4.849 -11.189 637 HD3 LYS 38 1HD LYS 38 15.560 5.497 -12.216 638 HE2 LYS 38 2HE LYS 38 17.368 7.162 -10.468 639 HE3 LYS 38 1HE LYS 38 17.617 6.889 -12.193 640 HZ1 LYS 38 1HZ LYS 38 16.511 8.939 -12.004 641 HZ2 LYS 38 2HZ LYS 38 15.389 8.346 -10.881 642 HZ3 LYS 38 3HZ LYS 38 15.319 7.840 -12.498 643 H ASP 39 H ASP 39 12.935 3.013 -12.981 644 HA ASP 39 HA ASP 39 10.099 2.591 -12.349 645 HB2 ASP 39 2HB ASP 39 9.875 1.490 -14.386 646 HB3 ASP 39 1HB ASP 39 11.093 2.701 -14.776 647 H ARG 40 H ARG 40 13.029 1.669 -11.261 648 HA ARG 40 HA ARG 40 12.248 -1.111 -10.738 649 HB2 ARG 40 2HB ARG 40 14.947 0.242 -10.514 650 HB3 ARG 40 1HB ARG 40 14.633 -1.434 -10.092 651 HG2 ARG 40 2HG ARG 40 14.282 -0.245 -12.837 652 HG3 ARG 40 1HG ARG 40 15.677 -1.181 -12.301 653 HD2 ARG 40 2HD ARG 40 14.541 -2.920 -13.168 654 HD3 ARG 40 1HD ARG 40 13.657 -2.860 -11.645 655 HE ARG 40 HE ARG 40 12.646 -1.287 -13.905 656 HH11 ARG 40 1HH1 ARG 40 12.312 -4.083 -11.810 657 HH12 ARG 40 2HH1 ARG 40 10.662 -4.376 -12.250 658 HH21 ARG 40 1HH2 ARG 40 10.505 -1.652 -14.486 659 HH22 ARG 40 2HH2 ARG 40 9.611 -2.973 -13.770 660 H PHE 41 H PHE 41 11.343 -1.458 -8.877 661 HA PHE 41 HA PHE 41 11.392 0.446 -6.742 662 HB2 PHE 41 2HB PHE 41 10.323 -2.323 -6.390 663 HB3 PHE 41 1HB PHE 41 9.682 -0.792 -5.802 664 HD1 PHE 41 1HD PHE 41 9.526 -3.286 -8.363 665 HD2 PHE 41 2HD PHE 41 8.596 0.771 -7.471 666 HE1 PHE 41 1HE PHE 41 7.942 -3.240 -10.243 667 HE2 PHE 41 2HE PHE 41 7.008 0.822 -9.350 668 HZ PHE 41 HZ PHE 41 6.680 -1.183 -10.739 669 H THR 42 H THR 42 12.717 0.517 -5.065 670 HA THR 42 HA THR 42 14.664 -1.617 -4.694 671 HB THR 42 HB THR 42 15.381 0.162 -2.832 672 HG1 THR 42 1HG THR 42 14.853 2.260 -3.537 673 HG21 THR 42 1HG2 THR 42 15.870 0.460 -5.799 674 HG22 THR 42 2HG2 THR 42 16.793 -0.542 -4.679 675 HG23 THR 42 3HG2 THR 42 16.836 1.214 -4.530 676 H ILE 43 H ILE 43 11.811 -0.312 -3.289 677 HA ILE 43 HA ILE 43 12.112 -2.043 -0.920 678 HB ILE 43 HB ILE 43 10.317 0.365 -1.304 679 HG12 ILE 43 2HG1 ILE 43 12.767 0.846 -0.996 680 HG13 ILE 43 1HG1 ILE 43 11.727 1.524 0.251 681 HG21 ILE 43 1HG2 ILE 43 9.747 0.093 1.062 682 HG22 ILE 43 2HG2 ILE 43 10.704 -1.387 1.116 683 HG23 ILE 43 3HG2 ILE 43 9.263 -1.306 0.104 684 HD11 ILE 43 1HD1 ILE 43 13.371 -0.984 0.495 685 HD12 ILE 43 2HD1 ILE 43 12.330 -0.304 1.746 686 HD13 ILE 43 3HD1 ILE 43 13.750 0.588 1.200 687 H SER 44 H SER 44 10.900 -3.842 -0.965 688 HA SER 44 HA SER 44 8.319 -3.762 -2.349 689 HB2 SER 44 2HB SER 44 10.076 -4.769 -3.845 690 HB3 SER 44 1HB SER 44 10.286 -6.044 -2.648 691 HG SER 44 HG SER 44 8.786 -6.940 -3.851 692 H HIS 45 H HIS 45 6.804 -4.317 -0.961 693 HA HIS 45 HA HIS 45 7.355 -6.444 0.999 694 HB2 HIS 45 2HB HIS 45 6.006 -3.789 1.479 695 HB3 HIS 45 1HB HIS 45 5.785 -5.164 2.552 696 HD1 HIS 45 1HD HIS 45 8.268 -6.127 3.486 697 HD2 HIS 45 2HD HIS 45 7.976 -2.181 2.243 698 HE1 HIS 45 1HE HIS 45 10.190 -4.899 4.570 699 H MET 46 H MET 46 5.944 -8.053 0.900 700 HA MET 46 HA MET 46 3.627 -7.739 -0.812 701 HB2 MET 46 2HB MET 46 4.478 -10.148 0.820 702 HB3 MET 46 1HB MET 46 3.288 -10.129 -0.472 703 HG2 MET 46 2HG MET 46 5.889 -9.128 -1.307 704 HG3 MET 46 1HG MET 46 5.938 -10.789 -0.719 705 HE1 MET 46 1HE MET 46 3.492 -12.642 -3.088 706 HE2 MET 46 2HE MET 46 3.167 -11.994 -1.479 707 HE3 MET 46 3HE MET 46 4.701 -12.800 -1.813 708 H TYR 47 H TYR 47 1.489 -7.978 -0.084 709 HA TYR 47 HA TYR 47 0.919 -6.758 2.383 710 HB2 TYR 47 2HB TYR 47 -0.904 -8.412 0.621 711 HB3 TYR 47 1HB TYR 47 -1.438 -7.385 1.949 712 HD1 TYR 47 1HD TYR 47 0.233 -4.994 1.573 713 HD2 TYR 47 2HD TYR 47 -1.764 -7.414 -1.298 714 HE1 TYR 47 1HE TYR 47 0.131 -3.077 0.037 715 HE2 TYR 47 2HE TYR 47 -1.873 -5.503 -2.839 716 HH TYR 47 HH TYR 47 -1.206 -3.420 -3.231 717 H ALA 48 H ALA 48 1.508 -10.033 1.534 718 HA ALA 48 HA ALA 48 0.242 -11.208 3.821 719 HB1 ALA 48 1HB ALA 48 0.492 -12.436 1.720 720 HB2 ALA 48 2HB ALA 48 1.254 -13.285 3.067 721 HB3 ALA 48 3HB ALA 48 2.245 -12.396 1.908 722 H ASP 49 H ASP 49 3.029 -9.400 3.507 723 HA ASP 49 HA ASP 49 4.359 -10.821 5.718 724 HB2 ASP 49 2HB ASP 49 5.698 -8.530 4.354 725 HB3 ASP 49 1HB ASP 49 6.403 -9.983 5.037 726 H ILE 50 H ILE 50 2.349 -8.253 5.060 727 HA ILE 50 HA ILE 50 3.451 -6.532 7.159 728 HB ILE 50 HB ILE 50 1.110 -6.000 5.324 729 HG12 ILE 50 2HG1 ILE 50 3.922 -4.914 5.102 730 HG13 ILE 50 1HG1 ILE 50 3.359 -6.311 4.192 731 HG21 ILE 50 1HG2 ILE 50 2.713 -4.164 7.099 732 HG22 ILE 50 2HG2 ILE 50 1.060 -4.709 7.391 733 HG23 ILE 50 3HG2 ILE 50 1.418 -3.672 6.009 734 HD11 ILE 50 1HD1 ILE 50 2.218 -3.531 4.036 735 HD12 ILE 50 2HD1 ILE 50 1.665 -4.932 3.116 736 HD13 ILE 50 3HD1 ILE 50 3.288 -4.288 2.854 737 H LYS 51 H LYS 51 2.517 -6.303 9.105 738 HA LYS 51 HA LYS 51 0.317 -8.066 9.812 739 HB2 LYS 51 2HB LYS 51 2.387 -7.845 11.201 740 HB3 LYS 51 1HB LYS 51 1.917 -6.195 11.567 741 HG2 LYS 51 2HG LYS 51 0.028 -6.908 12.795 742 HG3 LYS 51 1HG LYS 51 0.187 -8.565 12.208 743 HD2 LYS 51 2HD LYS 51 0.998 -8.427 14.484 744 HD3 LYS 51 1HD LYS 51 2.345 -8.748 13.392 745 HE2 LYS 51 2HE LYS 51 1.955 -5.911 13.733 746 HE3 LYS 51 1HE LYS 51 2.143 -6.705 15.295 747 HZ1 LYS 51 1HZ LYS 51 4.300 -6.187 14.633 748 HZ2 LYS 51 2HZ LYS 51 4.040 -6.641 13.024 749 HZ3 LYS 51 3HZ LYS 51 4.157 -7.827 14.230 750 H CYS 52 H CYS 52 1.096 -4.625 10.059 751 HA CYS 52 HA CYS 52 -1.628 -3.845 9.566 752 HB2 CYS 52 2HB CYS 52 -1.565 -2.381 11.714 753 HB3 CYS 52 1HB CYS 52 -2.008 -4.077 11.870 754 HG CYS 52 HG CYS 52 0.221 -2.479 13.522 755 H GLN 53 H GLN 53 -1.579 -1.166 9.953 756 HA GLN 53 HA GLN 53 1.076 -0.312 9.062 757 HB2 GLN 53 2HB GLN 53 -0.146 1.067 7.300 758 HB3 GLN 53 1HB GLN 53 -0.107 -0.657 7.019 759 HG2 GLN 53 2HG GLN 53 -2.329 -0.923 7.450 760 HG3 GLN 53 1HG GLN 53 -2.416 0.508 8.472 761 HE21 GLN 53 1HE2 GLN 53 -4.205 -0.160 6.409 762 HE22 GLN 53 2HE2 GLN 53 -4.104 1.080 5.204 763 H LYS 54 H LYS 54 1.164 2.149 9.163 764 HA LYS 54 HA LYS 54 -0.793 3.357 11.004 765 HB2 LYS 54 2HB LYS 54 2.181 3.767 11.443 766 HB3 LYS 54 1HB LYS 54 0.849 4.258 12.464 767 HG2 LYS 54 2HG LYS 54 0.610 1.512 12.364 768 HG3 LYS 54 1HG LYS 54 2.351 1.800 12.457 769 HD2 LYS 54 2HD LYS 54 1.276 3.621 14.239 770 HD3 LYS 54 1HD LYS 54 0.294 2.173 14.470 771 HE2 LYS 54 2HE LYS 54 3.289 2.149 14.443 772 HE3 LYS 54 1HE LYS 54 2.336 2.367 15.910 773 HZ1 LYS 54 1HZ LYS 54 1.345 0.228 15.608 774 HZ2 LYS 54 2HZ LYS 54 3.029 0.043 15.516 775 HZ3 LYS 54 3HZ LYS 54 2.098 0.026 14.104 776 H ILE 55 H ILE 55 -0.435 5.752 11.029 777 HA ILE 55 HA ILE 55 0.952 6.717 8.589 778 HB ILE 55 HB ILE 55 -1.108 8.305 8.374 779 HG12 ILE 55 2HG1 ILE 55 -2.234 6.036 9.995 780 HG13 ILE 55 1HG1 ILE 55 -2.079 7.710 10.492 781 HG21 ILE 55 1HG2 ILE 55 -1.385 5.385 7.653 782 HG22 ILE 55 2HG2 ILE 55 -0.576 6.618 6.686 783 HG23 ILE 55 3HG2 ILE 55 -2.317 6.706 6.949 784 HD11 ILE 55 1HD1 ILE 55 -4.355 7.086 9.965 785 HD12 ILE 55 2HD1 ILE 55 -3.870 6.712 8.312 786 HD13 ILE 55 3HD1 ILE 55 -3.754 8.365 8.913 787 H SER 56 H SER 56 2.079 8.681 8.989 788 HA SER 56 HA SER 56 1.862 9.712 11.654 789 HB2 SER 56 2HB SER 56 3.305 11.602 10.829 790 HB3 SER 56 1HB SER 56 4.013 10.007 10.605 791 HG SER 56 HG SER 56 3.534 11.879 8.795 792 HA PRO 57 HA PRO 57 -2.156 11.292 10.943 793 HB2 PRO 57 2HB PRO 57 -2.144 12.810 13.263 794 HB3 PRO 57 1HB PRO 57 -2.562 11.097 13.150 795 HG2 PRO 57 2HG PRO 57 0.039 12.366 13.905 796 HG3 PRO 57 1HG PRO 57 -0.786 10.975 14.637 797 HD2 PRO 57 2HD PRO 57 1.251 10.605 13.001 798 HD3 PRO 57 1HD PRO 57 -0.176 9.551 12.910 799 H GLU 58 H GLU 58 -3.289 13.340 10.924 800 HA GLU 58 HA GLU 58 -1.985 15.395 9.530 801 HB2 GLU 58 2HB GLU 58 -4.353 16.330 10.932 802 HB3 GLU 58 1HB GLU 58 -4.079 16.162 9.207 803 HG2 GLU 58 2HG GLU 58 -4.943 13.942 11.049 804 HG3 GLU 58 1HG GLU 58 -6.011 14.872 10.003 805 H GLY 59 H GLY 59 -1.205 17.385 10.238 806 HA2 GLY 59 2HA GLY 59 -1.006 19.039 12.039 807 HA3 GLY 59 1HA GLY 59 -0.968 17.688 13.168 808 H LYS 60 H LYS 60 0.737 16.031 11.514 809 HA LYS 60 HA LYS 60 3.291 17.036 12.287 810 HB2 LYS 60 2HB LYS 60 2.316 14.656 10.766 811 HB3 LYS 60 1HB LYS 60 3.985 15.135 10.529 812 HG2 LYS 60 2HG LYS 60 4.115 15.031 13.132 813 HG3 LYS 60 1HG LYS 60 2.658 14.039 12.974 814 HD2 LYS 60 2HD LYS 60 3.748 12.389 11.778 815 HD3 LYS 60 1HD LYS 60 5.038 13.468 11.259 816 HE2 LYS 60 2HE LYS 60 4.630 12.277 13.987 817 HE3 LYS 60 1HE LYS 60 5.905 11.894 12.839 818 HZ1 LYS 60 1HZ LYS 60 6.753 13.302 14.549 819 HZ2 LYS 60 2HZ LYS 60 5.541 14.454 14.280 820 HZ3 LYS 60 3HZ LYS 60 6.721 14.179 13.091 821 H ALA 61 H ALA 61 5.009 17.678 10.820 822 HA ALA 61 HA ALA 61 4.046 19.359 8.705 823 HB1 ALA 61 1HB ALA 61 6.885 18.692 9.491 824 HB2 ALA 61 2HB ALA 61 5.933 20.040 10.114 825 HB3 ALA 61 3HB ALA 61 6.387 19.994 8.411 826 H LYS 62 H LYS 62 4.472 16.148 8.822 827 HA LYS 62 HA LYS 62 4.736 15.957 5.946 828 HB2 LYS 62 2HB LYS 62 6.353 13.945 6.386 829 HB3 LYS 62 1HB LYS 62 6.984 15.583 6.305 830 HG2 LYS 62 2HG LYS 62 6.179 14.758 8.990 831 HG3 LYS 62 1HG LYS 62 7.482 13.792 8.296 832 HD2 LYS 62 2HD LYS 62 7.637 16.758 8.078 833 HD3 LYS 62 1HD LYS 62 7.978 16.009 9.638 834 HE2 LYS 62 2HE LYS 62 9.398 14.446 7.876 835 HE3 LYS 62 1HE LYS 62 9.571 16.064 7.195 836 HZ1 LYS 62 1HZ LYS 62 10.548 16.857 9.158 837 HZ2 LYS 62 2HZ LYS 62 11.283 15.352 8.888 838 HZ3 LYS 62 3HZ LYS 62 10.069 15.493 10.063 839 H ILE 63 H ILE 63 2.908 14.984 5.471 840 HA ILE 63 HA ILE 63 1.591 13.088 7.176 841 HB ILE 63 HB ILE 63 1.040 13.682 4.257 842 HG12 ILE 63 2HG1 ILE 63 -0.753 15.019 6.057 843 HG13 ILE 63 1HG1 ILE 63 0.905 15.455 6.458 844 HG21 ILE 63 1HG2 ILE 63 -1.219 12.966 4.740 845 HG22 ILE 63 2HG2 ILE 63 -0.796 12.692 6.431 846 HG23 ILE 63 3HG2 ILE 63 -0.077 11.692 5.169 847 HD11 ILE 63 1HD1 ILE 63 -0.049 17.030 4.893 848 HD12 ILE 63 2HD1 ILE 63 -0.404 15.725 3.763 849 HD13 ILE 63 3HD1 ILE 63 1.270 16.138 4.135 850 H GLN 64 H GLN 64 2.349 11.003 7.392 851 HA GLN 64 HA GLN 64 3.449 9.775 4.928 852 HB2 GLN 64 2HB GLN 64 4.774 9.493 7.621 853 HB3 GLN 64 1HB GLN 64 5.370 8.923 6.072 854 HG2 GLN 64 2HG GLN 64 6.019 11.027 5.394 855 HG3 GLN 64 1HG GLN 64 4.907 11.839 6.495 856 HE21 GLN 64 1HE2 GLN 64 5.570 10.377 8.810 857 HE22 GLN 64 2HE2 GLN 64 7.172 10.814 9.294 858 H LEU 65 H LEU 65 3.893 7.424 5.194 859 HA LEU 65 HA LEU 65 1.831 6.134 6.864 860 HB2 LEU 65 2HB LEU 65 1.458 6.034 4.371 861 HB3 LEU 65 1HB LEU 65 2.944 5.107 4.252 862 HG LEU 65 HG LEU 65 1.679 3.612 6.071 863 HD11 LEU 65 1HD1 LEU 65 -0.668 3.406 5.551 864 HD12 LEU 65 2HD1 LEU 65 -0.547 4.729 4.390 865 HD13 LEU 65 3HD1 LEU 65 -0.300 5.039 6.109 866 HD21 LEU 65 1HD2 LEU 65 1.214 3.454 3.109 867 HD22 LEU 65 2HD2 LEU 65 1.010 2.140 4.267 868 HD23 LEU 65 3HD2 LEU 65 2.611 2.821 3.979 869 H GLN 66 H GLN 66 2.393 4.143 7.816 870 HA GLN 66 HA GLN 66 5.235 3.388 7.734 871 HB2 GLN 66 2HB GLN 66 4.652 4.705 9.771 872 HB3 GLN 66 1HB GLN 66 3.479 3.471 10.190 873 HG2 GLN 66 2HG GLN 66 5.178 1.840 10.510 874 HG3 GLN 66 1HG GLN 66 6.409 2.910 9.840 875 HE21 GLN 66 1HE2 GLN 66 7.255 4.527 11.081 876 HE22 GLN 66 2HE2 GLN 66 6.981 4.651 12.787 877 H LEU 67 H LEU 67 5.415 1.322 7.101 878 HA LEU 67 HA LEU 67 3.099 -0.440 7.355 879 HB2 LEU 67 2HB LEU 67 5.681 -0.616 5.829 880 HB3 LEU 67 1HB LEU 67 4.621 -2.000 6.006 881 HG LEU 67 HG LEU 67 4.012 0.595 4.610 882 HD11 LEU 67 1HD1 LEU 67 3.764 -0.863 2.662 883 HD12 LEU 67 2HD1 LEU 67 4.187 -2.260 3.653 884 HD13 LEU 67 3HD1 LEU 67 5.379 -0.993 3.361 885 HD21 LEU 67 1HD2 LEU 67 2.189 -1.750 5.147 886 HD22 LEU 67 2HD2 LEU 67 1.814 -0.367 4.117 887 HD23 LEU 67 3HD2 LEU 67 2.043 -0.140 5.852 888 H VAL 68 H VAL 68 2.951 -1.549 9.212 889 HA VAL 68 HA VAL 68 5.419 -2.374 10.545 890 HB VAL 68 HB VAL 68 2.551 -2.401 11.506 891 HG11 VAL 68 1HG1 VAL 68 5.030 -3.353 12.949 892 HG12 VAL 68 2HG1 VAL 68 3.731 -4.383 12.347 893 HG13 VAL 68 3HG1 VAL 68 3.410 -3.227 13.640 894 HG21 VAL 68 1HG2 VAL 68 3.668 -0.226 11.502 895 HG22 VAL 68 2HG2 VAL 68 4.997 -0.908 12.441 896 HG23 VAL 68 3HG2 VAL 68 3.383 -0.799 13.145 897 H LEU 69 H LEU 69 6.223 -4.161 9.791 898 HA LEU 69 HA LEU 69 4.665 -6.130 8.474 899 HB2 LEU 69 2HB LEU 69 7.519 -6.278 9.411 900 HB3 LEU 69 1HB LEU 69 6.741 -7.387 8.294 901 HG LEU 69 HG LEU 69 7.784 -4.660 7.839 902 HD11 LEU 69 1HD1 LEU 69 8.956 -6.615 7.042 903 HD12 LEU 69 2HD1 LEU 69 8.377 -5.644 5.689 904 HD13 LEU 69 3HD1 LEU 69 7.528 -7.122 6.142 905 HD21 LEU 69 1HD2 LEU 69 6.377 -4.277 5.898 906 HD22 LEU 69 2HD2 LEU 69 5.442 -4.272 7.393 907 HD23 LEU 69 3HD2 LEU 69 5.398 -5.680 6.330 908 H HIS 70 H HIS 70 5.170 -8.548 9.155 909 HA HIS 70 HA HIS 70 3.622 -9.043 11.413 910 HB2 HIS 70 2HB HIS 70 5.449 -10.812 9.824 911 HB3 HIS 70 1HB HIS 70 4.514 -11.420 11.190 912 HD1 HIS 70 1HD HIS 70 1.888 -9.745 10.550 913 HD2 HIS 70 2HD HIS 70 4.032 -12.050 7.855 914 HE1 HIS 70 1HE HIS 70 0.294 -10.308 8.676 915 H ALA 71 H ALA 71 7.179 -9.289 11.152 916 HA ALA 71 HA ALA 71 7.482 -10.198 13.836 917 HB1 ALA 71 1HB ALA 71 9.134 -10.642 12.069 918 HB2 ALA 71 2HB ALA 71 9.852 -9.893 13.495 919 HB3 ALA 71 3HB ALA 71 9.550 -8.927 12.051 920 H GLY 72 H GLY 72 7.085 -7.090 12.436 921 HA2 GLY 72 2HA GLY 72 6.387 -5.344 14.072 922 HA3 GLY 72 1HA GLY 72 7.783 -5.840 15.025 923 H ASP 73 H ASP 73 8.095 -5.910 11.676 924 HA ASP 73 HA ASP 73 10.204 -3.989 11.622 925 HB2 ASP 73 2HB ASP 73 8.881 -5.088 9.164 926 HB3 ASP 73 1HB ASP 73 10.582 -4.782 9.449 927 H THR 74 H THR 74 10.151 -2.022 10.273 928 HA THR 74 HA THR 74 7.446 -1.146 9.583 929 HB THR 74 HB THR 74 7.918 1.102 10.643 930 HG1 THR 74 1HG THR 74 10.244 0.603 10.886 931 HG21 THR 74 1HG2 THR 74 7.322 0.412 12.909 932 HG22 THR 74 2HG2 THR 74 7.778 -1.250 12.529 933 HG23 THR 74 3HG2 THR 74 6.409 -0.500 11.706 934 H THR 75 H THR 75 7.348 -0.103 7.745 935 HA THR 75 HA THR 75 9.809 1.050 6.606 936 HB THR 75 HB THR 75 7.493 0.324 4.865 937 HG1 THR 75 1HG THR 75 8.919 -1.812 4.811 938 HG21 THR 75 1HG2 THR 75 9.480 1.443 3.946 939 HG22 THR 75 2HG2 THR 75 9.283 -0.176 3.275 940 HG23 THR 75 3HG2 THR 75 10.490 0.119 4.526 941 H ASN 76 H ASN 76 9.748 3.214 6.662 942 HA ASN 76 HA ASN 76 7.202 4.594 6.901 943 HB2 ASN 76 2HB ASN 76 10.043 5.282 7.419 944 HB3 ASN 76 1HB ASN 76 8.968 6.602 6.975 945 HD21 ASN 76 1HD2 ASN 76 9.355 7.441 9.074 946 HD22 ASN 76 2HD2 ASN 76 8.489 6.820 10.430 947 H PHE 77 H PHE 77 6.242 5.739 5.380 948 HA PHE 77 HA PHE 77 7.740 6.370 2.923 949 HB2 PHE 77 2HB PHE 77 4.921 5.298 3.162 950 HB3 PHE 77 1HB PHE 77 5.576 5.998 1.683 951 HD1 PHE 77 1HD PHE 77 8.026 4.974 1.119 952 HD2 PHE 77 2HD PHE 77 4.899 3.011 3.235 953 HE1 PHE 77 1HE PHE 77 8.986 2.796 0.505 954 HE2 PHE 77 2HE PHE 77 5.853 0.829 2.622 955 HZ PHE 77 HZ PHE 77 7.899 0.718 1.257 956 H HIS 78 H HIS 78 8.022 8.476 3.046 957 HA HIS 78 HA HIS 78 6.013 10.231 4.205 958 HB2 HIS 78 2HB HIS 78 8.294 10.663 4.811 959 HB3 HIS 78 1HB HIS 78 8.808 10.647 3.134 960 HD1 HIS 78 1HD HIS 78 9.914 13.011 3.750 961 HD2 HIS 78 2HD HIS 78 5.750 12.888 3.746 962 HE1 HIS 78 1HE HIS 78 9.121 15.414 3.678 963 H PHE 79 H PHE 79 4.470 11.150 3.015 964 HA PHE 79 HA PHE 79 4.615 11.026 0.135 965 HB2 PHE 79 2HB PHE 79 2.506 12.148 1.998 966 HB3 PHE 79 1HB PHE 79 2.347 12.080 0.245 967 HD1 PHE 79 1HD PHE 79 2.444 10.111 3.335 968 HD2 PHE 79 2HD PHE 79 1.923 10.005 -0.885 969 HE1 PHE 79 1HE PHE 79 1.554 7.823 3.507 970 HE2 PHE 79 2HE PHE 79 1.031 7.719 -0.721 971 HZ PHE 79 HZ PHE 79 0.842 6.628 1.477 972 H SER 80 H SER 80 6.412 12.352 -0.238 973 HA SER 80 HA SER 80 6.469 15.083 0.633 974 HB2 SER 80 2HB SER 80 8.414 14.998 -1.209 975 HB3 SER 80 1HB SER 80 8.625 14.354 0.418 976 HG SER 80 HG SER 80 9.086 13.020 -1.670 977 H ASN 81 H ASN 81 4.309 13.977 -1.218 978 HA ASN 81 HA ASN 81 4.618 15.669 -3.566 979 HB2 ASN 81 2HB ASN 81 3.675 13.455 -3.920 980 HB3 ASN 81 1HB ASN 81 2.434 13.751 -2.710 981 HD21 ASN 81 1HD2 ASN 81 0.842 13.274 -4.233 982 HD22 ASN 81 2HD2 ASN 81 0.390 14.406 -5.458 983 H GLU 82 H GLU 82 4.521 17.730 -2.755 984 HA GLU 82 HA GLU 82 2.867 18.709 -0.755 985 HB2 GLU 82 2HB GLU 82 3.852 20.226 -3.179 986 HB3 GLU 82 1HB GLU 82 3.355 20.923 -1.645 987 HG2 GLU 82 2HG GLU 82 5.605 20.960 -1.363 988 HG3 GLU 82 1HG GLU 82 5.262 19.361 -0.709 989 H SER 83 H SER 83 2.111 18.088 -4.096 990 HA SER 83 HA SER 83 -0.159 19.713 -4.342 991 HB2 SER 83 2HB SER 83 -0.137 17.151 -5.820 992 HB3 SER 83 1HB SER 83 -0.339 18.799 -6.415 993 HG SER 83 HG SER 83 1.967 17.296 -6.068 994 H THR 84 H THR 84 -0.076 16.156 -3.794 995 HA THR 84 HA THR 84 -2.618 16.459 -2.341 996 HB THR 84 HB THR 84 -3.087 14.087 -3.425 997 HG1 THR 84 1HG THR 84 -2.319 14.163 -5.651 998 HG21 THR 84 1HG2 THR 84 -3.483 16.684 -4.918 999 HG22 THR 84 2HG2 THR 84 -4.520 16.073 -3.629 1000 HG23 THR 84 3HG2 THR 84 -4.403 15.198 -5.156 1001 H ALA 85 H ALA 85 -0.131 16.239 -1.071 1002 HA ALA 85 HA ALA 85 0.821 13.730 -0.427 1003 HB1 ALA 85 1HB ALA 85 1.693 14.701 1.615 1004 HB2 ALA 85 2HB ALA 85 0.599 16.072 1.457 1005 HB3 ALA 85 3HB ALA 85 1.884 15.828 0.274 1006 H VAL 86 H VAL 86 -1.915 15.426 0.982 1007 HA VAL 86 HA VAL 86 -2.340 13.480 3.049 1008 HB VAL 86 HB VAL 86 -4.111 15.692 2.006 1009 HG11 VAL 86 1HG1 VAL 86 -5.453 13.912 3.043 1010 HG12 VAL 86 2HG1 VAL 86 -5.461 15.385 4.015 1011 HG13 VAL 86 3HG1 VAL 86 -4.454 14.018 4.494 1012 HG21 VAL 86 1HG2 VAL 86 -2.096 16.510 3.053 1013 HG22 VAL 86 2HG2 VAL 86 -2.413 15.519 4.476 1014 HG23 VAL 86 3HG2 VAL 86 -3.498 16.847 4.067 1015 H LYS 87 H LYS 87 -3.879 14.292 -0.009 1016 HA LYS 87 HA LYS 87 -5.916 12.385 0.034 1017 HB2 LYS 87 2HB LYS 87 -6.172 14.103 -1.522 1018 HB3 LYS 87 1HB LYS 87 -4.541 13.918 -2.144 1019 HG2 LYS 87 2HG LYS 87 -6.279 11.587 -2.533 1020 HG3 LYS 87 1HG LYS 87 -6.773 13.048 -3.393 1021 HD2 LYS 87 2HD LYS 87 -4.543 13.235 -4.367 1022 HD3 LYS 87 1HD LYS 87 -4.030 11.792 -3.490 1023 HE2 LYS 87 2HE LYS 87 -5.691 10.463 -4.699 1024 HE3 LYS 87 1HE LYS 87 -6.228 11.903 -5.561 1025 HZ1 LYS 87 1HZ LYS 87 -3.547 10.627 -5.733 1026 HZ2 LYS 87 2HZ LYS 87 -3.965 12.091 -6.489 1027 HZ3 LYS 87 3HZ LYS 87 -4.742 10.652 -6.935 1028 H GLU 88 H GLU 88 -2.661 12.191 -1.454 1029 HA GLU 88 HA GLU 88 -3.003 9.556 -2.436 1030 HB2 GLU 88 2HB GLU 88 -0.402 10.907 -1.663 1031 HB3 GLU 88 1HB GLU 88 -0.576 9.508 -2.706 1032 HG2 GLU 88 2HG GLU 88 -2.077 11.888 -3.544 1033 HG3 GLU 88 1HG GLU 88 -0.323 12.048 -3.576 1034 H ARG 89 H ARG 89 -1.947 10.873 0.632 1035 HA ARG 89 HA ARG 89 -0.949 8.535 1.815 1036 HB2 ARG 89 2HB ARG 89 -0.727 10.838 2.763 1037 HB3 ARG 89 1HB ARG 89 -2.433 10.801 3.173 1038 HG2 ARG 89 2HG ARG 89 -0.658 8.649 4.213 1039 HG3 ARG 89 1HG ARG 89 -0.595 10.246 4.953 1040 HD2 ARG 89 2HD ARG 89 -2.863 8.292 4.848 1041 HD3 ARG 89 1HD ARG 89 -2.163 9.107 6.243 1042 HE ARG 89 HE ARG 89 -4.009 10.314 4.284 1043 HH11 ARG 89 1HH1 ARG 89 -2.355 10.455 7.376 1044 HH12 ARG 89 2HH1 ARG 89 -3.385 11.709 8.006 1045 HH21 ARG 89 1HH2 ARG 89 -5.349 11.946 5.109 1046 HH22 ARG 89 2HH2 ARG 89 -5.036 12.600 6.708 1047 H ASP 90 H ASP 90 -4.187 9.957 1.797 1048 HA ASP 90 HA ASP 90 -5.416 7.920 3.315 1049 HB2 ASP 90 2HB ASP 90 -6.432 10.094 1.529 1050 HB3 ASP 90 1HB ASP 90 -7.542 8.860 2.119 1051 H ALA 91 H ALA 91 -4.942 8.346 -0.162 1052 HA ALA 91 HA ALA 91 -6.579 6.255 -1.034 1053 HB1 ALA 91 1HB ALA 91 -4.023 7.281 -2.269 1054 HB2 ALA 91 2HB ALA 91 -5.642 7.917 -2.558 1055 HB3 ALA 91 3HB ALA 91 -5.230 6.284 -3.080 1056 H VAL 92 H VAL 92 -3.113 6.299 -0.257 1057 HA VAL 92 HA VAL 92 -2.698 3.520 -0.660 1058 HB VAL 92 HB VAL 92 -1.130 5.509 1.000 1059 HG11 VAL 92 1HG1 VAL 92 -0.658 3.268 1.784 1060 HG12 VAL 92 2HG1 VAL 92 0.719 3.886 0.872 1061 HG13 VAL 92 3HG1 VAL 92 -0.378 2.721 0.132 1062 HG21 VAL 92 1HG2 VAL 92 0.415 5.519 -0.897 1063 HG22 VAL 92 2HG2 VAL 92 -1.195 6.065 -1.363 1064 HG23 VAL 92 3HG2 VAL 92 -0.663 4.434 -1.776 1065 H LYS 93 H LYS 93 -3.565 5.477 2.113 1066 HA LYS 93 HA LYS 93 -3.229 3.554 4.131 1067 HB2 LYS 93 2HB LYS 93 -3.467 6.007 4.479 1068 HB3 LYS 93 1HB LYS 93 -5.164 5.874 4.047 1069 HG2 LYS 93 2HG LYS 93 -4.559 4.001 6.118 1070 HG3 LYS 93 1HG LYS 93 -3.995 5.609 6.579 1071 HD2 LYS 93 2HD LYS 93 -6.774 4.944 5.608 1072 HD3 LYS 93 1HD LYS 93 -6.313 5.193 7.293 1073 HE2 LYS 93 2HE LYS 93 -6.183 7.427 7.070 1074 HE3 LYS 93 1HE LYS 93 -5.556 7.333 5.425 1075 HZ1 LYS 93 1HZ LYS 93 -7.666 8.246 5.161 1076 HZ2 LYS 93 2HZ LYS 93 -8.365 7.237 6.329 1077 HZ3 LYS 93 3HZ LYS 93 -7.933 6.598 4.820 1078 H ASP 94 H ASP 94 -6.226 4.692 2.596 1079 HA ASP 94 HA ASP 94 -7.924 2.800 3.775 1080 HB2 ASP 94 2HB ASP 94 -8.112 4.737 1.545 1081 HB3 ASP 94 1HB ASP 94 -9.290 3.432 1.556 1082 H LEU 95 H LEU 95 -6.113 2.699 0.790 1083 HA LEU 95 HA LEU 95 -7.415 0.298 -0.133 1084 HB2 LEU 95 2HB LEU 95 -6.240 2.077 -1.577 1085 HB3 LEU 95 1HB LEU 95 -4.736 1.322 -1.081 1086 HG LEU 95 HG LEU 95 -5.455 -0.795 -2.095 1087 HD11 LEU 95 1HD1 LEU 95 -7.881 0.776 -2.954 1088 HD12 LEU 95 2HD1 LEU 95 -7.853 -0.584 -1.832 1089 HD13 LEU 95 3HD1 LEU 95 -7.451 -0.833 -3.531 1090 HD21 LEU 95 1HD2 LEU 95 -5.647 1.568 -3.958 1091 HD22 LEU 95 2HD2 LEU 95 -5.293 -0.094 -4.428 1092 HD23 LEU 95 3HD2 LEU 95 -4.158 0.796 -3.414 1093 H LEU 96 H LEU 96 -4.607 1.077 1.820 1094 HA LEU 96 HA LEU 96 -3.507 -1.537 1.719 1095 HB2 LEU 96 2HB LEU 96 -3.091 0.850 3.417 1096 HB3 LEU 96 1HB LEU 96 -2.598 -0.702 4.077 1097 HG LEU 96 HG LEU 96 -1.656 0.495 1.471 1098 HD11 LEU 96 1HD1 LEU 96 -0.199 0.025 4.062 1099 HD12 LEU 96 2HD1 LEU 96 -0.747 1.590 3.461 1100 HD13 LEU 96 3HD1 LEU 96 0.488 0.690 2.580 1101 HD21 LEU 96 1HD2 LEU 96 -1.791 -1.930 1.337 1102 HD22 LEU 96 2HD2 LEU 96 -0.872 -2.076 2.835 1103 HD23 LEU 96 3HD2 LEU 96 -0.110 -1.400 1.395 1104 H GLN 97 H GLN 97 -5.450 0.120 4.265 1105 HA GLN 97 HA GLN 97 -5.998 -2.107 5.794 1106 HB2 GLN 97 2HB GLN 97 -8.358 -0.864 6.054 1107 HB3 GLN 97 1HB GLN 97 -6.885 -0.304 6.841 1108 HG2 GLN 97 2HG GLN 97 -6.602 1.137 4.757 1109 HG3 GLN 97 1HG GLN 97 -8.286 0.742 4.435 1110 HE21 GLN 97 1HE2 GLN 97 -7.102 1.057 7.658 1111 HE22 GLN 97 2HE2 GLN 97 -7.891 2.556 8.009 1112 H GLN 98 H GLN 98 -7.145 -1.369 2.651 1113 HA GLN 98 HA GLN 98 -9.159 -3.404 2.610 1114 HB2 GLN 98 2HB GLN 98 -8.096 -1.410 0.721 1115 HB3 GLN 98 1HB GLN 98 -8.761 -2.866 -0.004 1116 HG2 GLN 98 2HG GLN 98 -10.123 -0.942 1.841 1117 HG3 GLN 98 1HG GLN 98 -10.520 -1.306 0.155 1118 HE21 GLN 98 1HE2 GLN 98 -11.874 -1.628 2.859 1119 HE22 GLN 98 2HE2 GLN 98 -12.509 -3.232 2.792 1120 H LEU 99 H LEU 99 -6.091 -3.083 0.812 1121 HA LEU 99 HA LEU 99 -6.211 -5.743 -0.162 1122 HB2 LEU 99 2HB LEU 99 -4.021 -3.693 -0.100 1123 HB3 LEU 99 1HB LEU 99 -3.826 -5.271 -0.842 1124 HG LEU 99 HG LEU 99 -6.060 -3.440 -1.659 1125 HD11 LEU 99 1HD1 LEU 99 -4.003 -2.167 -1.916 1126 HD12 LEU 99 2HD1 LEU 99 -4.640 -2.648 -3.490 1127 HD13 LEU 99 3HD1 LEU 99 -3.268 -3.509 -2.792 1128 HD21 LEU 99 1HD2 LEU 99 -5.977 -4.732 -3.709 1129 HD22 LEU 99 2HD2 LEU 99 -6.166 -5.802 -2.320 1130 HD23 LEU 99 3HD2 LEU 99 -4.594 -5.643 -3.103 1131 H LEU 100 H LEU 100 -4.642 -4.318 2.651 1132 HA LEU 100 HA LEU 100 -2.791 -6.294 3.202 1133 HB2 LEU 100 2HB LEU 100 -4.278 -4.394 4.973 1134 HB3 LEU 100 1HB LEU 100 -3.203 -5.595 5.669 1135 HG LEU 100 HG LEU 100 -2.376 -3.567 3.596 1136 HD11 LEU 100 1HD1 LEU 100 -1.166 -2.428 5.406 1137 HD12 LEU 100 2HD1 LEU 100 -1.872 -3.540 6.578 1138 HD13 LEU 100 3HD1 LEU 100 -2.906 -2.421 5.690 1139 HD21 LEU 100 1HD2 LEU 100 -0.098 -4.275 4.258 1140 HD22 LEU 100 2HD2 LEU 100 -1.043 -5.542 3.476 1141 HD23 LEU 100 3HD2 LEU 100 -0.825 -5.558 5.227 1142 HA PRO 101 HA PRO 101 -5.893 -8.889 5.705 1143 HB2 PRO 101 2HB PRO 101 -8.482 -8.247 5.897 1144 HB3 PRO 101 1HB PRO 101 -7.265 -7.452 6.907 1145 HG2 PRO 101 2HG PRO 101 -8.545 -6.482 4.375 1146 HG3 PRO 101 1HG PRO 101 -8.278 -5.606 5.894 1147 HD2 PRO 101 2HD PRO 101 -6.634 -5.379 3.731 1148 HD3 PRO 101 1HD PRO 101 -6.073 -5.176 5.403 1149 H LYS 102 H LYS 102 -6.623 -7.711 2.579 1150 HA LYS 102 HA LYS 102 -8.516 -9.754 1.868 1151 HB2 LYS 102 2HB LYS 102 -7.133 -7.546 0.444 1152 HB3 LYS 102 1HB LYS 102 -7.608 -8.925 -0.539 1153 HG2 LYS 102 2HG LYS 102 -9.914 -8.589 0.680 1154 HG3 LYS 102 1HG LYS 102 -9.300 -6.951 0.910 1155 HD2 LYS 102 2HD LYS 102 -9.132 -8.164 -1.807 1156 HD3 LYS 102 1HD LYS 102 -10.706 -7.618 -1.229 1157 HE2 LYS 102 2HE LYS 102 -8.432 -5.753 -0.890 1158 HE3 LYS 102 1HE LYS 102 -8.989 -6.034 -2.539 1159 HZ1 LYS 102 1HZ LYS 102 -11.269 -5.453 -1.755 1160 HZ2 LYS 102 2HZ LYS 102 -10.174 -4.172 -1.654 1161 HZ3 LYS 102 3HZ LYS 102 -10.607 -5.016 -0.256 1162 H PHE 103 H PHE 103 -5.141 -9.492 2.141 1163 HA PHE 103 HA PHE 103 -4.786 -12.079 0.783 1164 HB2 PHE 103 2HB PHE 103 -2.813 -9.811 1.145 1165 HB3 PHE 103 1HB PHE 103 -2.391 -11.392 0.494 1166 HD1 PHE 103 1HD PHE 103 -3.952 -8.196 -0.169 1167 HD2 PHE 103 2HD PHE 103 -3.328 -12.126 -1.674 1168 HE1 PHE 103 1HE PHE 103 -4.670 -7.449 -2.398 1169 HE2 PHE 103 2HE PHE 103 -4.040 -11.383 -3.910 1170 HZ PHE 103 HZ PHE 103 -4.711 -9.044 -4.274 1171 H LYS 104 H LYS 104 -4.030 -10.102 3.577 1172 HA LYS 104 HA LYS 104 -2.837 -12.374 4.977 1173 HB2 LYS 104 2HB LYS 104 -1.593 -10.442 5.443 1174 HB3 LYS 104 1HB LYS 104 -3.019 -9.416 5.476 1175 HG2 LYS 104 2HG LYS 104 -3.434 -11.149 7.578 1176 HG3 LYS 104 1HG LYS 104 -1.698 -10.834 7.632 1177 HD2 LYS 104 2HD LYS 104 -2.038 -8.494 7.822 1178 HD3 LYS 104 1HD LYS 104 -3.748 -8.641 7.410 1179 HE2 LYS 104 2HE LYS 104 -4.051 -9.975 9.506 1180 HE3 LYS 104 1HE LYS 104 -2.385 -9.582 9.929 1181 HZ1 LYS 104 1HZ LYS 104 -2.921 -7.286 10.050 1182 HZ2 LYS 104 2HZ LYS 104 -4.111 -8.104 10.939 1183 HZ3 LYS 104 3HZ LYS 104 -4.462 -7.527 9.381 1184 H ARG 105 H ARG 105 -4.147 -13.673 6.160 1185 HA ARG 105 HA ARG 105 -6.891 -13.086 6.490 1186 HB2 ARG 105 2HB ARG 105 -5.899 -15.397 6.430 1187 HB3 ARG 105 1HB ARG 105 -5.322 -15.127 8.069 1188 HG2 ARG 105 2HG ARG 105 -7.497 -16.411 7.799 1189 HG3 ARG 105 1HG ARG 105 -7.489 -15.076 8.952 1190 HD2 ARG 105 2HD ARG 105 -8.249 -14.274 6.245 1191 HD3 ARG 105 1HD ARG 105 -9.338 -15.466 6.954 1192 HE ARG 105 HE ARG 105 -9.247 -13.760 8.942 1193 HH11 ARG 105 1HH1 ARG 105 -9.389 -12.984 5.520 1194 HH12 ARG 105 2HH1 ARG 105 -10.246 -11.497 5.773 1195 HH21 ARG 105 1HH2 ARG 105 -10.358 -11.793 9.254 1196 HH22 ARG 105 2HH2 ARG 105 -10.804 -10.816 7.875 1197 H LYS 106 H LYS 106 -7.302 -11.271 7.529 1198 HA LYS 106 HA LYS 106 -6.026 -10.299 9.820 1199 HB2 LYS 106 2HB LYS 106 -7.268 -8.847 8.358 1200 HB3 LYS 106 1HB LYS 106 -8.750 -9.744 8.646 1201 HG2 LYS 106 2HG LYS 106 -8.913 -8.927 10.867 1202 HG3 LYS 106 1HG LYS 106 -7.283 -8.249 10.802 1203 HD2 LYS 106 2HD LYS 106 -7.920 -6.524 9.379 1204 HD3 LYS 106 1HD LYS 106 -9.374 -7.371 8.847 1205 HE2 LYS 106 2HE LYS 106 -8.932 -6.239 11.607 1206 HE3 LYS 106 1HE LYS 106 -9.859 -5.458 10.327 1207 HZ1 LYS 106 1HZ LYS 106 -10.510 -7.846 11.913 1208 HZ2 LYS 106 2HZ LYS 106 -11.141 -7.706 10.333 1209 HZ3 LYS 106 3HZ LYS 106 -11.489 -6.525 11.498 1210 H ALA 107 H ALA 107 -6.031 -11.105 11.768 1211 HA ALA 107 HA ALA 107 -8.415 -12.519 12.762 1212 HB1 ALA 107 1HB ALA 107 -6.900 -13.674 14.320 1213 HB2 ALA 107 2HB ALA 107 -5.530 -12.814 13.617 1214 HB3 ALA 107 3HB ALA 107 -6.445 -13.964 12.641 1215 H ASN 108 H ASN 108 -7.674 -9.678 12.620 1216 HA ASN 108 HA ASN 108 -8.046 -8.982 15.435 1217 HB2 ASN 108 2HB ASN 108 -6.569 -6.994 15.077 1218 HB3 ASN 108 1HB ASN 108 -5.706 -8.523 14.972 1219 HD21 ASN 108 1HD2 ASN 108 -7.009 -5.846 13.159 1220 HD22 ASN 108 2HD2 ASN 108 -6.051 -6.084 11.723 Start of MODEL 19 1 H ARG 390 2HT ARG 390 23.927 13.364 8.562 2 HA ARG 390 HA ARG 390 23.633 12.039 5.934 3 HB2 ARG 390 2HB ARG 390 26.066 11.647 6.067 4 HB3 ARG 390 1HB ARG 390 25.666 13.352 5.967 5 HG2 ARG 390 2HG ARG 390 25.852 12.596 8.715 6 HG3 ARG 390 1HG ARG 390 27.294 12.050 7.856 7 HD2 ARG 390 2HD ARG 390 27.899 14.191 8.462 8 HD3 ARG 390 1HD ARG 390 27.256 14.453 6.841 9 HE ARG 390 HE ARG 390 25.800 15.022 9.358 10 HH11 ARG 390 1HH1 ARG 390 26.411 15.666 5.957 11 HH12 ARG 390 2HH1 ARG 390 25.280 16.973 5.878 12 HH21 ARG 390 1HH2 ARG 390 24.352 16.735 9.263 13 HH22 ARG 390 2HH2 ARG 390 24.105 17.595 7.772 14 H ARG 391 H ARG 391 24.402 11.737 9.390 15 HA ARG 391 HA ARG 391 24.395 8.824 9.169 16 HB2 ARG 391 2HB ARG 391 26.041 10.016 10.630 17 HB3 ARG 391 1HB ARG 391 24.702 10.577 11.619 18 HG2 ARG 391 2HG ARG 391 24.250 7.908 11.626 19 HG3 ARG 391 1HG ARG 391 26.013 7.955 11.526 20 HD2 ARG 391 2HD ARG 391 25.192 7.897 13.852 21 HD3 ARG 391 1HD ARG 391 26.127 9.349 13.497 22 HE ARG 391 HE ARG 391 23.216 9.514 13.281 23 HH11 ARG 391 1HH1 ARG 391 26.122 10.272 15.080 24 HH12 ARG 391 2HH1 ARG 391 25.365 11.503 16.032 25 HH21 ARG 391 1HH2 ARG 391 22.209 11.129 14.542 26 HH22 ARG 391 2HH2 ARG 391 23.142 12.004 15.716 27 H ARG 392 H ARG 392 22.127 9.061 8.353 28 HA ARG 392 HA ARG 392 19.871 8.896 8.580 29 HB2 ARG 392 2HB ARG 392 21.025 7.441 10.786 30 HB3 ARG 392 1HB ARG 392 19.514 8.182 11.295 31 HG2 ARG 392 2HG ARG 392 18.988 7.068 8.788 32 HG3 ARG 392 1HG ARG 392 19.952 5.870 9.652 33 HD2 ARG 392 2HD ARG 392 17.692 5.398 10.172 34 HD3 ARG 392 1HD ARG 392 18.376 6.179 11.598 35 HE ARG 392 HE ARG 392 17.302 8.267 10.293 36 HH11 ARG 392 1HH1 ARG 392 15.949 5.122 11.093 37 HH12 ARG 392 2HH1 ARG 392 14.320 5.728 11.208 38 HH21 ARG 392 1HH2 ARG 392 15.194 9.034 10.456 39 HH22 ARG 392 2HH2 ARG 392 13.897 7.939 10.860 40 H THR 393 H THR 393 19.573 9.425 11.901 41 HA THR 393 HA THR 393 18.649 12.152 11.426 42 HB THR 393 HB THR 393 18.331 10.801 14.069 43 HG1 THR 393 1HG THR 393 16.967 10.078 11.662 44 HG21 THR 393 1HG2 THR 393 16.139 11.911 13.967 45 HG22 THR 393 2HG2 THR 393 16.510 12.485 12.342 46 HG23 THR 393 3HG2 THR 393 17.456 13.056 13.716 47 H GLU 394 H GLU 394 20.215 13.612 11.659 48 HA GLU 394 HA GLU 394 22.646 13.279 12.963 49 HB2 GLU 394 2HB GLU 394 21.192 15.861 12.383 50 HB3 GLU 394 1HB GLU 394 22.911 15.703 12.725 51 HG2 GLU 394 2HG GLU 394 21.623 14.277 10.426 52 HG3 GLU 394 1HG GLU 394 22.193 15.940 10.292 53 H ALA 395 H ALA 395 19.751 15.004 14.126 54 HA ALA 395 HA ALA 395 20.963 14.999 16.807 55 HB1 ALA 395 1HB ALA 395 19.473 16.845 17.357 56 HB2 ALA 395 2HB ALA 395 18.744 16.752 15.754 57 HB3 ALA 395 3HB ALA 395 20.433 17.226 15.929 58 H LEU 396 H LEU 396 17.600 15.280 15.780 59 HA LEU 396 HA LEU 396 16.793 12.696 16.588 60 HB2 LEU 396 2HB LEU 396 17.268 13.736 18.826 61 HB3 LEU 396 1HB LEU 396 16.026 14.924 18.480 62 HG LEU 396 HG LEU 396 14.356 13.089 18.341 63 HD11 LEU 396 1HD1 LEU 396 14.954 10.878 19.199 64 HD12 LEU 396 2HD1 LEU 396 16.643 11.378 19.306 65 HD13 LEU 396 3HD1 LEU 396 15.853 11.270 17.733 66 HD21 LEU 396 1HD2 LEU 396 15.914 13.237 20.920 67 HD22 LEU 396 2HD2 LEU 396 14.256 12.660 20.749 68 HD23 LEU 396 3HD2 LEU 396 14.642 14.346 20.406 69 H GLY 397 H GLY 397 15.805 16.080 16.403 70 HA2 GLY 397 2HA GLY 397 13.214 15.377 15.320 71 HA3 GLY 397 1HA GLY 397 13.818 17.001 15.620 72 H ASP 398 H ASP 398 14.146 14.225 13.481 73 HA ASP 398 HA ASP 398 14.436 14.019 11.247 74 HB2 ASP 398 2HB ASP 398 12.712 15.960 11.301 75 HB3 ASP 398 1HB ASP 398 14.079 16.986 10.885 76 H ALA 399 H ALA 399 15.652 15.263 9.339 77 HA ALA 399 HA ALA 399 18.152 16.509 10.059 78 HB1 ALA 399 1HB ALA 399 19.559 14.751 9.078 79 HB2 ALA 399 2HB ALA 399 18.138 13.727 8.874 80 HB3 ALA 399 3HB ALA 399 18.693 14.152 10.493 81 H GLU 400 H GLU 400 19.093 15.216 7.416 82 HA GLU 400 HA GLU 400 18.009 17.234 5.684 83 HB2 GLU 400 2HB GLU 400 19.651 14.846 4.828 84 HB3 GLU 400 1HB GLU 400 19.515 16.403 4.024 85 HG2 GLU 400 2HG GLU 400 21.421 16.925 5.020 86 HG3 GLU 400 1HG GLU 400 20.480 17.073 6.502 87 H GLU 401 H GLU 401 15.798 16.205 6.372 88 HA GLU 401 HA GLU 401 13.853 15.257 5.704 89 HB2 GLU 401 2HB GLU 401 14.337 16.078 3.456 90 HB3 GLU 401 1HB GLU 401 15.362 14.688 3.140 91 HG2 GLU 401 2HG GLU 401 13.195 14.474 2.061 92 HG3 GLU 401 1HG GLU 401 13.447 13.212 3.263 93 H ASP 402 H ASP 402 14.777 13.864 7.486 94 HA ASP 402 HA ASP 402 15.470 11.170 6.567 95 HB2 ASP 402 2HB ASP 402 16.730 12.515 8.424 96 HB3 ASP 402 1HB ASP 402 15.391 12.007 9.447 97 H GLU 403 H GLU 403 12.825 12.704 6.785 98 HA GLU 403 HA GLU 403 10.621 12.179 6.980 99 HB2 GLU 403 2HB GLU 403 11.681 9.422 7.577 100 HB3 GLU 403 1HB GLU 403 9.973 9.805 7.438 101 HG2 GLU 403 2HG GLU 403 10.286 10.449 5.122 102 HG3 GLU 403 1HG GLU 403 12.017 10.121 5.256 103 H ASP 404 H ASP 404 8.969 11.928 8.520 104 HA ASP 404 HA ASP 404 9.842 12.331 11.266 105 HB2 ASP 404 2HB ASP 404 7.225 12.570 9.786 106 HB3 ASP 404 1HB ASP 404 7.217 12.426 11.539 107 H ASP 405 H ASP 405 10.710 10.219 11.528 108 HA ASP 405 HA ASP 405 9.303 7.841 10.986 109 HB2 ASP 405 2HB ASP 405 11.781 8.553 12.450 110 HB3 ASP 405 1HB ASP 405 11.062 6.991 12.818 111 H GLU 406 H GLU 406 8.543 10.045 13.359 112 HA GLU 406 HA GLU 406 7.399 7.885 14.983 113 HB2 GLU 406 2HB GLU 406 7.254 9.804 16.771 114 HB3 GLU 406 1HB GLU 406 8.732 8.881 16.569 115 HG2 GLU 406 2HG GLU 406 9.073 11.310 16.845 116 HG3 GLU 406 1HG GLU 406 9.762 10.653 15.366 117 H ASP 407 H ASP 407 5.522 8.963 16.357 118 HA ASP 407 HA ASP 407 3.405 9.572 16.325 119 HB2 ASP 407 2HB ASP 407 4.473 11.785 16.315 120 HB3 ASP 407 1HB ASP 407 4.298 11.814 14.564 121 H PHE 408 H PHE 408 3.260 7.512 14.986 122 HA PHE 408 HA PHE 408 1.709 8.192 12.580 123 HB2 PHE 408 2HB PHE 408 3.373 5.709 13.119 124 HB3 PHE 408 1HB PHE 408 2.147 5.777 11.881 125 HD1 PHE 408 1HD PHE 408 2.630 6.578 9.775 126 HD2 PHE 408 2HD PHE 408 5.334 7.326 12.966 127 HE1 PHE 408 1HE PHE 408 4.259 7.465 8.173 128 HE2 PHE 408 2HE PHE 408 6.961 8.220 11.368 129 HZ PHE 408 HZ PHE 408 6.418 8.305 8.973 130 H VAL 409 H VAL 409 -0.306 7.731 12.720 131 HA VAL 409 HA VAL 409 -1.272 6.404 15.095 132 HB VAL 409 HB VAL 409 -3.512 7.228 14.147 133 HG11 VAL 409 1HG1 VAL 409 -2.203 8.269 15.898 134 HG12 VAL 409 2HG1 VAL 409 -2.943 9.487 14.856 135 HG13 VAL 409 3HG1 VAL 409 -1.232 9.087 14.676 136 HG21 VAL 409 1HG2 VAL 409 -3.343 9.075 12.578 137 HG22 VAL 409 2HG2 VAL 409 -2.868 7.544 11.841 138 HG23 VAL 409 3HG2 VAL 409 -1.636 8.703 12.339 139 H GLU 410 H GLU 410 -1.751 4.383 15.134 140 HA GLU 410 HA GLU 410 -1.212 2.697 13.035 141 HB2 GLU 410 2HB GLU 410 -1.409 2.122 15.505 142 HB3 GLU 410 1HB GLU 410 -3.140 1.960 15.225 143 HG2 GLU 410 2HG GLU 410 -2.791 -0.122 14.560 144 HG3 GLU 410 1HG GLU 410 -1.888 0.511 13.184 145 H VAL 411 H VAL 411 -2.214 2.145 11.322 146 HA VAL 411 HA VAL 411 -4.968 2.961 10.857 147 HB VAL 411 HB VAL 411 -3.039 1.820 8.808 148 HG11 VAL 411 1HG1 VAL 411 -5.484 3.577 8.593 149 HG12 VAL 411 2HG1 VAL 411 -5.390 1.872 8.156 150 HG13 VAL 411 3HG1 VAL 411 -4.464 3.068 7.248 151 HG21 VAL 411 1HG2 VAL 411 -3.414 4.663 9.601 152 HG22 VAL 411 2HG2 VAL 411 -2.513 4.079 8.200 153 HG23 VAL 411 3HG2 VAL 411 -1.973 3.673 9.831 154 HA PRO 412 HA PRO 412 -6.022 -1.303 11.802 155 HB2 PRO 412 2HB PRO 412 -8.701 -0.953 11.510 156 HB3 PRO 412 1HB PRO 412 -7.820 -0.446 12.956 157 HG2 PRO 412 2HG PRO 412 -8.686 1.187 10.598 158 HG3 PRO 412 1HG PRO 412 -8.795 1.575 12.326 159 HD2 PRO 412 2HD PRO 412 -6.844 2.572 10.759 160 HD3 PRO 412 1HD PRO 412 -6.563 2.160 12.464 161 H GLU 413 H GLU 413 -7.504 -2.920 10.685 162 HA GLU 413 HA GLU 413 -7.115 -2.676 7.795 163 HB2 GLU 413 2HB GLU 413 -7.714 -5.203 9.331 164 HB3 GLU 413 1HB GLU 413 -7.046 -5.053 7.710 165 HG2 GLU 413 2HG GLU 413 -5.065 -3.896 8.820 166 HG3 GLU 413 1HG GLU 413 -5.708 -4.522 10.338 167 H LYS 414 H LYS 414 -8.845 -3.519 6.394 168 HA LYS 414 HA LYS 414 -11.489 -3.197 7.658 169 HB2 LYS 414 2HB LYS 414 -10.458 -2.264 5.017 170 HB3 LYS 414 1HB LYS 414 -12.183 -2.430 5.332 171 HG2 LYS 414 2HG LYS 414 -12.217 -0.711 6.823 172 HG3 LYS 414 1HG LYS 414 -10.513 -0.902 7.247 173 HD2 LYS 414 2HD LYS 414 -9.790 0.306 5.469 174 HD3 LYS 414 1HD LYS 414 -11.176 -0.138 4.465 175 HE2 LYS 414 2HE LYS 414 -12.595 1.323 5.688 176 HE3 LYS 414 1HE LYS 414 -11.315 1.660 6.850 177 HZ1 LYS 414 1HZ LYS 414 -11.680 3.425 5.133 178 HZ2 LYS 414 2HZ LYS 414 -11.108 2.341 3.974 179 HZ3 LYS 414 3HZ LYS 414 -10.094 2.847 5.229 180 H GLU 415 H GLU 415 -9.803 -4.716 4.950 181 HA GLU 415 HA GLU 415 -10.143 -6.623 3.800 182 HB2 GLU 415 2HB GLU 415 -10.991 -7.254 6.423 183 HB3 GLU 415 1HB GLU 415 -12.177 -7.950 5.328 184 HG2 GLU 415 2HG GLU 415 -9.243 -8.374 4.918 185 HG3 GLU 415 1HG GLU 415 -10.171 -9.373 6.032 186 H GLY 416 H GLY 416 -13.252 -5.473 5.124 187 HA2 GLY 416 2HA GLY 416 -14.341 -5.710 2.392 188 HA3 GLY 416 1HA GLY 416 -15.242 -6.332 3.764 189 H TYR 417 H TYR 417 -14.076 -3.491 2.157 190 HA TYR 417 HA TYR 417 -16.282 -1.958 3.270 191 HB2 TYR 417 2HB TYR 417 -14.986 -0.849 4.736 192 HB3 TYR 417 1HB TYR 417 -13.541 -1.645 4.135 193 HD1 TYR 417 1HD TYR 417 -12.207 -0.582 2.339 194 HD2 TYR 417 2HD TYR 417 -15.512 1.407 4.133 195 HE1 TYR 417 1HE TYR 417 -11.404 1.550 1.430 196 HE2 TYR 417 2HE TYR 417 -14.718 3.549 3.226 197 HH TYR 417 HH TYR 417 -11.985 4.315 2.411 198 H GLU 418 H GLU 418 -14.545 -3.026 0.793 199 HA GLU 418 HA GLU 418 -13.678 -1.667 -1.122 200 HB2 GLU 418 2HB GLU 418 -15.999 -3.505 -1.182 201 HB3 GLU 418 1HB GLU 418 -15.635 -2.632 -2.664 202 HG2 GLU 418 2HG GLU 418 -14.485 -4.652 -2.864 203 HG3 GLU 418 1HG GLU 418 -13.256 -3.478 -2.409 204 HA PRO 419 HA PRO 419 -16.188 2.077 -1.312 205 HB2 PRO 419 2HB PRO 419 -14.193 3.770 -1.723 206 HB3 PRO 419 1HB PRO 419 -14.394 2.997 -0.143 207 HG2 PRO 419 2HG PRO 419 -12.499 2.315 -2.358 208 HG3 PRO 419 1HG PRO 419 -12.199 2.383 -0.611 209 HD2 PRO 419 2HD PRO 419 -12.739 0.071 -2.046 210 HD3 PRO 419 1HD PRO 419 -12.948 0.253 -0.295 211 H HIS 420 H HIS 420 -15.914 0.216 -3.570 212 HA HIS 420 HA HIS 420 -16.170 2.147 -5.702 213 HB2 HIS 420 2HB HIS 420 -13.669 1.023 -5.341 214 HB3 HIS 420 1HB HIS 420 -14.392 0.005 -6.584 215 HD1 HIS 420 1HD HIS 420 -13.896 3.741 -5.952 216 HD2 HIS 420 2HD HIS 420 -14.126 0.991 -9.061 217 HE1 HIS 420 1HE HIS 420 -13.418 5.028 -8.077 218 H ILE 421 H ILE 421 -16.657 0.992 -7.806 219 HA ILE 421 HA ILE 421 -17.869 -1.613 -7.554 220 HB ILE 421 HB ILE 421 -19.457 0.616 -7.009 221 HG12 ILE 421 2HG1 ILE 421 -20.922 -1.702 -8.035 222 HG13 ILE 421 1HG1 ILE 421 -19.641 -2.120 -6.902 223 HG21 ILE 421 1HG2 ILE 421 -19.528 1.287 -9.326 224 HG22 ILE 421 2HG2 ILE 421 -21.108 0.668 -8.840 225 HG23 ILE 421 3HG2 ILE 421 -20.029 -0.333 -9.812 226 HD11 ILE 421 1HD1 ILE 421 -21.792 -1.820 -5.791 227 HD12 ILE 421 2HD1 ILE 421 -21.861 -0.158 -6.377 228 HD13 ILE 421 3HD1 ILE 421 -20.602 -0.641 -5.240 229 HA PRO 422 HA PRO 422 -16.757 -2.290 -11.795 230 HB2 PRO 422 2HB PRO 422 -19.712 -2.386 -12.296 231 HB3 PRO 422 1HB PRO 422 -18.442 -3.464 -12.887 232 HG2 PRO 422 2HG PRO 422 -20.002 -4.140 -10.818 233 HG3 PRO 422 1HG PRO 422 -18.293 -4.604 -10.889 234 HD2 PRO 422 2HD PRO 422 -19.630 -2.639 -9.156 235 HD3 PRO 422 1HD PRO 422 -18.073 -3.460 -8.941 236 H ASP 423 H ASP 423 -16.126 -0.804 -13.227 237 HA ASP 423 HA ASP 423 -17.077 1.823 -13.262 238 HB2 ASP 423 2HB ASP 423 -14.823 1.273 -13.999 239 HB3 ASP 423 1HB ASP 423 -15.467 0.353 -15.358 240 H HIS 424 H HIS 424 -18.615 2.825 -14.299 241 HA HIS 424 HA HIS 424 -19.660 2.412 -16.791 242 HB2 HIS 424 2HB HIS 424 -21.665 1.155 -16.578 243 HB3 HIS 424 1HB HIS 424 -20.418 0.184 -15.813 244 HD1 HIS 424 1HD HIS 424 -20.433 0.357 -13.053 245 HD2 HIS 424 2HD HIS 424 -23.855 1.560 -15.084 246 HE1 HIS 424 1HE HIS 424 -22.310 0.339 -11.360 247 H LEU 425 H LEU 425 -20.101 3.396 -13.508 248 HA LEU 425 HA LEU 425 -22.229 5.255 -14.094 249 HB2 LEU 425 2HB LEU 425 -20.628 4.641 -11.624 250 HB3 LEU 425 1HB LEU 425 -21.764 5.973 -11.684 251 HG LEU 425 HG LEU 425 -22.491 3.082 -12.159 252 HD11 LEU 425 1HD1 LEU 425 -21.805 3.433 -9.854 253 HD12 LEU 425 2HD1 LEU 425 -23.551 3.204 -9.953 254 HD13 LEU 425 3HD1 LEU 425 -22.885 4.821 -9.729 255 HD21 LEU 425 1HD2 LEU 425 -23.951 4.663 -13.310 256 HD22 LEU 425 2HD2 LEU 425 -24.207 5.536 -11.799 257 HD23 LEU 425 3HD2 LEU 425 -24.790 3.881 -11.971 258 H ARG 426 H ARG 426 -20.369 5.983 -15.804 259 HA ARG 426 HA ARG 426 -19.176 8.393 -14.599 260 HB2 ARG 426 2HB ARG 426 -18.034 6.482 -16.607 261 HB3 ARG 426 1HB ARG 426 -17.537 8.168 -16.625 262 HG2 ARG 426 2HG ARG 426 -16.936 7.907 -14.197 263 HG3 ARG 426 1HG ARG 426 -17.201 6.174 -14.401 264 HD2 ARG 426 2HD ARG 426 -15.291 7.794 -16.076 265 HD3 ARG 426 1HD ARG 426 -14.818 6.909 -14.626 266 HE ARG 426 HE ARG 426 -15.588 4.861 -15.802 267 HH11 ARG 426 1HH1 ARG 426 -14.702 7.722 -17.640 268 HH12 ARG 426 2HH1 ARG 426 -14.330 6.824 -19.086 269 HH21 ARG 426 1HH2 ARG 426 -15.060 3.679 -17.670 270 HH22 ARG 426 2HH2 ARG 426 -14.521 4.524 -19.097 271 HA PRO 427 HA PRO 427 -22.080 10.006 -17.672 272 HB2 PRO 427 2HB PRO 427 -22.549 12.337 -16.423 273 HB3 PRO 427 1HB PRO 427 -23.279 10.823 -15.875 274 HG2 PRO 427 2HG PRO 427 -20.916 12.294 -14.783 275 HG3 PRO 427 1HG PRO 427 -22.226 11.475 -13.914 276 HD2 PRO 427 2HD PRO 427 -19.739 10.386 -14.345 277 HD3 PRO 427 1HD PRO 427 -21.210 9.436 -14.067 278 H GLU 428 H GLU 428 -19.353 10.026 -18.274 279 HA GLU 428 HA GLU 428 -18.813 12.817 -18.999 280 HB2 GLU 428 2HB GLU 428 -16.482 11.920 -19.499 281 HB3 GLU 428 1HB GLU 428 -16.959 11.931 -17.805 282 HG2 GLU 428 2HG GLU 428 -17.438 9.579 -17.870 283 HG3 GLU 428 1HG GLU 428 -17.142 9.530 -19.606 284 H TYR 429 H TYR 429 -20.435 10.482 -20.192 285 HA TYR 429 HA TYR 429 -19.610 10.948 -22.969 286 HB2 TYR 429 2HB TYR 429 -20.623 8.284 -21.942 287 HB3 TYR 429 1HB TYR 429 -20.049 8.645 -23.566 288 HD1 TYR 429 1HD TYR 429 -17.545 9.688 -23.547 289 HD2 TYR 429 2HD TYR 429 -19.185 7.106 -20.589 290 HE1 TYR 429 1HE TYR 429 -15.274 9.027 -22.873 291 HE2 TYR 429 2HE TYR 429 -16.919 6.438 -19.908 292 HH TYR 429 HH TYR 429 -14.242 8.131 -20.610 293 H GLY 430 H GLY 430 -21.433 10.388 -24.502 294 HA2 GLY 430 2HA GLY 430 -23.913 9.982 -24.531 295 HA3 GLY 430 1HA GLY 430 -23.999 11.181 -23.246 296 H LEU 431 H LEU 431 -21.661 11.730 -25.670 297 HA LEU 431 HA LEU 431 -23.423 13.719 -26.957 298 HB2 LEU 431 2HB LEU 431 -20.443 13.910 -26.488 299 HB3 LEU 431 1HB LEU 431 -21.431 15.112 -27.295 300 HG LEU 431 HG LEU 431 -21.740 14.316 -24.398 301 HD11 LEU 431 1HD1 LEU 431 -20.432 16.754 -25.596 302 HD12 LEU 431 2HD1 LEU 431 -19.597 15.421 -24.800 303 HD13 LEU 431 3HD1 LEU 431 -20.693 16.450 -23.878 304 HD21 LEU 431 1HD2 LEU 431 -23.121 16.345 -24.268 305 HD22 LEU 431 2HD2 LEU 431 -23.800 15.149 -25.372 306 HD23 LEU 431 3HD2 LEU 431 -22.954 16.557 -26.011 307 H GLU 432 H GLU 432 -21.478 10.999 -27.288 308 HA GLU 432 HA GLU 432 -20.599 11.341 -29.980 309 HB2 GLU 432 2HB GLU 432 -21.009 8.664 -28.676 310 HB3 GLU 432 1HB GLU 432 -19.785 9.141 -29.843 311 HG2 GLU 432 2HG GLU 432 -18.531 9.028 -27.942 312 HG3 GLU 432 1HG GLU 432 -19.002 10.727 -27.908 313 H ALA 433 H ALA 433 -23.552 10.383 -28.518 314 HA ALA 433 HA ALA 433 -24.724 9.929 -31.148 315 HB1 ALA 433 1HB ALA 433 -25.881 7.908 -30.429 316 HB2 ALA 433 2HB ALA 433 -25.076 7.987 -28.862 317 HB3 ALA 433 3HB ALA 433 -24.134 7.691 -30.324 318 H ALA 434 H ALA 434 -26.931 10.398 -31.246 319 HA ALA 434 HA ALA 434 -28.397 11.144 -28.886 320 HB1 ALA 434 1HB ALA 434 -28.781 13.451 -29.511 321 HB2 ALA 434 2HB ALA 434 -27.774 13.265 -30.947 322 HB3 ALA 434 3HB ALA 434 -27.047 13.178 -29.342 323 H MET 1 2HT MET 1 9.194 -8.711 -19.950 324 HA MET 1 HA MET 1 11.419 -7.799 -20.507 325 HB2 MET 1 2HB MET 1 9.164 -5.867 -19.897 326 HB3 MET 1 1HB MET 1 10.575 -5.452 -20.860 327 HG2 MET 1 2HG MET 1 8.802 -5.954 -22.353 328 HG3 MET 1 1HG MET 1 9.955 -7.284 -22.429 329 HE1 MET 1 1HE MET 1 6.831 -6.194 -20.229 330 HE2 MET 1 2HE MET 1 5.673 -7.399 -20.790 331 HE3 MET 1 3HE MET 1 6.339 -6.224 -21.922 332 H ALA 2 H ALA 2 12.033 -5.107 -19.874 333 HA ALA 2 HA ALA 2 13.705 -5.422 -17.641 334 HB1 ALA 2 1HB ALA 2 12.715 -2.839 -18.856 335 HB2 ALA 2 2HB ALA 2 14.101 -3.766 -19.427 336 HB3 ALA 2 3HB ALA 2 14.132 -3.033 -17.825 337 H THR 3 H THR 3 10.950 -3.184 -17.915 338 HA THR 3 HA THR 3 10.552 -3.295 -15.046 339 HB THR 3 HB THR 3 8.665 -1.841 -16.839 340 HG1 THR 3 1HG THR 3 11.279 -0.832 -16.251 341 HG21 THR 3 1HG2 THR 3 10.036 -1.171 -14.230 342 HG22 THR 3 2HG2 THR 3 8.378 -1.739 -14.425 343 HG23 THR 3 3HG2 THR 3 8.845 -0.155 -15.043 344 H SER 4 H SER 4 9.563 -5.130 -14.412 345 HA SER 4 HA SER 4 6.911 -5.663 -15.472 346 HB2 SER 4 2HB SER 4 9.058 -7.804 -15.375 347 HB3 SER 4 1HB SER 4 7.365 -8.059 -15.804 348 HG SER 4 HG SER 4 8.266 -6.083 -17.313 349 H SER 5 H SER 5 5.621 -5.786 -13.798 350 HA SER 5 HA SER 5 6.331 -7.334 -11.464 351 HB2 SER 5 2HB SER 5 5.608 -4.399 -11.212 352 HB3 SER 5 1HB SER 5 5.883 -5.519 -9.878 353 HG SER 5 HG SER 5 8.004 -5.678 -11.417 354 H GLU 6 H GLU 6 4.219 -6.521 -9.826 355 HA GLU 6 HA GLU 6 2.014 -7.789 -11.123 356 HB2 GLU 6 2HB GLU 6 2.177 -6.346 -8.471 357 HB3 GLU 6 1HB GLU 6 0.812 -7.312 -9.007 358 HG2 GLU 6 2HG GLU 6 1.992 -9.306 -8.821 359 HG3 GLU 6 1HG GLU 6 3.555 -8.488 -8.815 360 H GLU 7 H GLU 7 -0.187 -6.809 -11.121 361 HA GLU 7 HA GLU 7 -0.268 -4.495 -12.693 362 HB2 GLU 7 2HB GLU 7 -2.549 -5.496 -10.987 363 HB3 GLU 7 1HB GLU 7 -2.651 -4.597 -12.494 364 HG2 GLU 7 2HG GLU 7 -3.100 -6.663 -13.293 365 HG3 GLU 7 1HG GLU 7 -1.341 -6.716 -13.404 366 H VAL 8 H VAL 8 -0.219 -2.396 -12.219 367 HA VAL 8 HA VAL 8 0.066 -1.583 -9.465 368 HB VAL 8 HB VAL 8 -0.026 0.222 -11.885 369 HG11 VAL 8 1HG1 VAL 8 1.299 1.721 -10.483 370 HG12 VAL 8 2HG1 VAL 8 1.236 0.549 -9.165 371 HG13 VAL 8 3HG1 VAL 8 -0.244 1.331 -9.723 372 HG21 VAL 8 1HG2 VAL 8 2.424 0.066 -11.936 373 HG22 VAL 8 2HG2 VAL 8 1.663 -1.490 -12.269 374 HG23 VAL 8 3HG2 VAL 8 2.365 -1.173 -10.683 375 H LEU 9 H LEU 9 -1.776 -1.530 -8.346 376 HA LEU 9 HA LEU 9 -4.276 -0.721 -9.556 377 HB2 LEU 9 2HB LEU 9 -3.715 -1.360 -6.662 378 HB3 LEU 9 1HB LEU 9 -5.283 -1.303 -7.444 379 HG LEU 9 HG LEU 9 -3.115 -3.329 -8.013 380 HD11 LEU 9 1HD1 LEU 9 -4.656 -4.914 -6.940 381 HD12 LEU 9 2HD1 LEU 9 -5.716 -3.570 -6.510 382 HD13 LEU 9 3HD1 LEU 9 -4.093 -3.668 -5.826 383 HD21 LEU 9 1HD2 LEU 9 -4.908 -4.476 -9.288 384 HD22 LEU 9 2HD2 LEU 9 -4.417 -2.938 -9.996 385 HD23 LEU 9 3HD2 LEU 9 -5.920 -3.048 -9.080 386 H LEU 10 H LEU 10 -1.898 0.598 -7.323 387 HA LEU 10 HA LEU 10 -3.370 3.158 -7.437 388 HB2 LEU 10 2HB LEU 10 -3.590 1.883 -5.240 389 HB3 LEU 10 1HB LEU 10 -1.893 2.250 -4.981 390 HG LEU 10 HG LEU 10 -2.505 4.693 -5.243 391 HD11 LEU 10 1HD1 LEU 10 -4.806 5.338 -4.860 392 HD12 LEU 10 2HD1 LEU 10 -5.300 3.646 -4.846 393 HD13 LEU 10 3HD1 LEU 10 -4.681 4.372 -6.330 394 HD21 LEU 10 1HD2 LEU 10 -3.735 3.173 -2.950 395 HD22 LEU 10 2HD2 LEU 10 -3.291 4.880 -2.946 396 HD23 LEU 10 3HD2 LEU 10 -2.041 3.644 -3.084 397 H ILE 11 H ILE 11 -2.188 4.854 -8.014 398 HA ILE 11 HA ILE 11 0.737 4.521 -8.086 399 HB ILE 11 HB ILE 11 -1.074 6.069 -9.941 400 HG12 ILE 11 2HG1 ILE 11 0.805 3.733 -10.335 401 HG13 ILE 11 1HG1 ILE 11 -0.951 3.707 -10.448 402 HG21 ILE 11 1HG2 ILE 11 1.944 6.034 -9.891 403 HG22 ILE 11 2HG2 ILE 11 0.919 7.402 -9.459 404 HG23 ILE 11 3HG2 ILE 11 0.937 6.804 -11.117 405 HD11 ILE 11 1HD1 ILE 11 0.065 3.652 -12.641 406 HD12 ILE 11 2HD1 ILE 11 0.925 5.154 -12.300 407 HD13 ILE 11 3HD1 ILE 11 -0.835 5.152 -12.414 408 H VAL 12 H VAL 12 1.753 5.689 -6.641 409 HA VAL 12 HA VAL 12 0.606 8.263 -5.777 410 HB VAL 12 HB VAL 12 2.716 6.724 -4.276 411 HG11 VAL 12 1HG1 VAL 12 2.353 9.051 -3.645 412 HG12 VAL 12 2HG1 VAL 12 1.850 7.954 -2.359 413 HG13 VAL 12 3HG1 VAL 12 0.639 8.719 -3.389 414 HG21 VAL 12 1HG2 VAL 12 0.921 5.749 -2.896 415 HG22 VAL 12 2HG2 VAL 12 0.881 5.175 -4.564 416 HG23 VAL 12 3HG2 VAL 12 -0.272 6.396 -4.024 417 H LYS 13 H LYS 13 1.934 10.092 -5.734 418 HA LYS 13 HA LYS 13 4.520 9.756 -7.129 419 HB2 LYS 13 2HB LYS 13 2.371 11.820 -7.433 420 HB3 LYS 13 1HB LYS 13 4.039 12.217 -7.833 421 HG2 LYS 13 2HG LYS 13 2.515 9.902 -9.009 422 HG3 LYS 13 1HG LYS 13 2.691 11.483 -9.775 423 HD2 LYS 13 2HD LYS 13 4.881 11.144 -10.290 424 HD3 LYS 13 1HD LYS 13 5.171 10.138 -8.871 425 HE2 LYS 13 2HE LYS 13 3.623 9.278 -11.310 426 HE3 LYS 13 1HE LYS 13 5.314 8.891 -11.004 427 HZ1 LYS 13 1HZ LYS 13 4.432 7.056 -10.095 428 HZ2 LYS 13 2HZ LYS 13 2.918 7.766 -9.828 429 HZ3 LYS 13 3HZ LYS 13 4.180 8.047 -8.739 430 H LYS 14 H LYS 14 6.100 11.412 -6.744 431 HA LYS 14 HA LYS 14 7.619 12.273 -5.312 432 HB2 LYS 14 2HB LYS 14 5.163 13.885 -5.182 433 HB3 LYS 14 1HB LYS 14 6.397 14.252 -3.980 434 HG2 LYS 14 2HG LYS 14 8.005 14.348 -5.986 435 HG3 LYS 14 1HG LYS 14 6.541 14.452 -6.966 436 HD2 LYS 14 2HD LYS 14 7.284 16.680 -6.536 437 HD3 LYS 14 1HD LYS 14 5.842 16.400 -5.556 438 HE2 LYS 14 2HE LYS 14 7.295 15.901 -3.624 439 HE3 LYS 14 1HE LYS 14 8.705 16.281 -4.612 440 HZ1 LYS 14 1HZ LYS 14 7.856 18.115 -3.135 441 HZ2 LYS 14 2HZ LYS 14 6.507 18.221 -4.143 442 HZ3 LYS 14 3HZ LYS 14 8.052 18.524 -4.762 443 H VAL 15 H VAL 15 7.404 10.103 -4.162 444 HA VAL 15 HA VAL 15 6.668 10.580 -1.344 445 HB VAL 15 HB VAL 15 6.774 7.952 -2.848 446 HG11 VAL 15 1HG1 VAL 15 6.141 8.488 0.054 447 HG12 VAL 15 2HG1 VAL 15 7.562 7.648 -0.568 448 HG13 VAL 15 3HG1 VAL 15 5.960 6.935 -0.762 449 HG21 VAL 15 1HG2 VAL 15 4.796 9.233 -3.374 450 HG22 VAL 15 2HG2 VAL 15 4.471 9.488 -1.659 451 HG23 VAL 15 3HG2 VAL 15 4.363 7.867 -2.346 452 H ARG 16 H ARG 16 8.329 10.609 0.042 453 HA ARG 16 HA ARG 16 10.928 9.742 -0.994 454 HB2 ARG 16 2HB ARG 16 10.222 11.683 1.201 455 HB3 ARG 16 1HB ARG 16 11.865 11.149 0.862 456 HG2 ARG 16 2HG ARG 16 11.276 11.921 -1.572 457 HG3 ARG 16 1HG ARG 16 10.073 12.902 -0.735 458 HD2 ARG 16 2HD ARG 16 12.877 12.916 0.257 459 HD3 ARG 16 1HD ARG 16 12.497 13.810 -1.213 460 HE ARG 16 HE ARG 16 11.607 14.409 1.491 461 HH11 ARG 16 1HH1 ARG 16 11.266 15.077 -1.944 462 HH12 ARG 16 2HH1 ARG 16 10.611 16.665 -1.672 463 HH21 ARG 16 1HH2 ARG 16 10.757 16.453 1.849 464 HH22 ARG 16 2HH2 ARG 16 10.305 17.453 0.495 465 H GLN 17 H GLN 17 12.047 8.195 -0.139 466 HA GLN 17 HA GLN 17 11.157 6.998 2.396 467 HB2 GLN 17 2HB GLN 17 10.860 5.780 0.018 468 HB3 GLN 17 1HB GLN 17 12.520 5.316 0.352 469 HG2 GLN 17 2HG GLN 17 10.153 4.781 2.134 470 HG3 GLN 17 1HG GLN 17 10.929 3.614 1.066 471 HE21 GLN 17 1HE2 GLN 17 11.102 5.325 4.045 472 HE22 GLN 17 2HE2 GLN 17 12.479 4.497 4.683 473 H LYS 18 H LYS 18 12.647 7.512 3.838 474 HA LYS 18 HA LYS 18 14.596 8.040 4.828 475 HB2 LYS 18 2HB LYS 18 14.987 5.494 3.403 476 HB3 LYS 18 1HB LYS 18 16.406 6.217 4.159 477 HG2 LYS 18 2HG LYS 18 13.830 5.371 5.469 478 HG3 LYS 18 1HG LYS 18 15.443 4.704 5.723 479 HD2 LYS 18 2HD LYS 18 16.093 6.428 7.069 480 HD3 LYS 18 1HD LYS 18 15.063 7.601 6.246 481 HE2 LYS 18 2HE LYS 18 13.628 5.471 7.675 482 HE3 LYS 18 1HE LYS 18 14.561 6.555 8.703 483 HZ1 LYS 18 1HZ LYS 18 12.291 7.339 8.403 484 HZ2 LYS 18 2HZ LYS 18 12.511 7.402 6.716 485 HZ3 LYS 18 3HZ LYS 18 13.399 8.432 7.730 486 H LYS 19 H LYS 19 14.595 9.995 3.402 487 HA LYS 19 HA LYS 19 15.736 11.638 2.394 488 HB2 LYS 19 2HB LYS 19 17.864 9.682 3.037 489 HB3 LYS 19 1HB LYS 19 18.279 11.166 2.180 490 HG2 LYS 19 2HG LYS 19 16.900 12.224 4.185 491 HG3 LYS 19 1HG LYS 19 17.389 10.730 4.980 492 HD2 LYS 19 2HD LYS 19 19.762 11.301 4.274 493 HD3 LYS 19 1HD LYS 19 19.140 12.899 3.849 494 HE2 LYS 19 2HE LYS 19 20.012 13.035 6.057 495 HE3 LYS 19 1HE LYS 19 18.253 13.086 6.171 496 HZ1 LYS 19 1HZ LYS 19 18.180 10.867 6.920 497 HZ2 LYS 19 2HZ LYS 19 19.424 11.601 7.806 498 HZ3 LYS 19 3HZ LYS 19 19.797 10.586 6.507 499 H GLN 20 H GLN 20 14.619 9.312 0.768 500 HA GLN 20 HA GLN 20 16.032 10.026 -1.715 501 HB2 GLN 20 2HB GLN 20 14.996 7.298 -0.920 502 HB3 GLN 20 1HB GLN 20 15.527 7.715 -2.543 503 HG2 GLN 20 2HG GLN 20 17.737 7.798 -1.951 504 HG3 GLN 20 1HG GLN 20 17.382 8.159 -0.261 505 HE21 GLN 20 1HE2 GLN 20 16.884 6.496 1.141 506 HE22 GLN 20 2HE2 GLN 20 17.181 4.837 0.752 507 H ASP 21 H ASP 21 14.706 10.890 -3.198 508 HA ASP 21 HA ASP 21 11.844 10.890 -2.702 509 HB2 ASP 21 2HB ASP 21 13.482 12.829 -3.645 510 HB3 ASP 21 1HB ASP 21 12.905 12.156 -5.166 511 H GLY 22 H GLY 22 10.283 10.223 -4.295 512 HA2 GLY 22 2HA GLY 22 10.922 8.990 -6.718 513 HA3 GLY 22 1HA GLY 22 10.917 7.740 -5.485 514 H ALA 23 H ALA 23 9.186 6.691 -6.409 515 HA ALA 23 HA ALA 23 6.587 7.955 -5.866 516 HB1 ALA 23 1HB ALA 23 6.941 8.239 -8.241 517 HB2 ALA 23 2HB ALA 23 5.672 7.046 -7.959 518 HB3 ALA 23 3HB ALA 23 7.291 6.518 -8.417 519 H LEU 24 H LEU 24 4.971 6.621 -5.224 520 HA LEU 24 HA LEU 24 5.817 3.894 -4.508 521 HB2 LEU 24 2HB LEU 24 5.235 5.408 -2.632 522 HB3 LEU 24 1HB LEU 24 3.624 5.583 -3.304 523 HG LEU 24 HG LEU 24 3.579 2.970 -3.105 524 HD11 LEU 24 1HD1 LEU 24 5.914 2.737 -2.438 525 HD12 LEU 24 2HD1 LEU 24 4.819 2.133 -1.194 526 HD13 LEU 24 3HD1 LEU 24 5.599 3.702 -0.996 527 HD21 LEU 24 1HD2 LEU 24 2.532 3.179 -0.941 528 HD22 LEU 24 2HD2 LEU 24 2.117 4.581 -1.928 529 HD23 LEU 24 3HD2 LEU 24 3.340 4.722 -0.663 530 H TYR 25 H TYR 25 4.608 2.173 -5.118 531 HA TYR 25 HA TYR 25 2.129 2.712 -6.602 532 HB2 TYR 25 2HB TYR 25 4.348 0.877 -7.529 533 HB3 TYR 25 1HB TYR 25 2.785 1.063 -8.315 534 HD1 TYR 25 1HD TYR 25 2.205 3.239 -9.378 535 HD2 TYR 25 2HD TYR 25 6.114 2.418 -7.917 536 HE1 TYR 25 1HE TYR 25 3.088 5.101 -10.712 537 HE2 TYR 25 2HE TYR 25 7.008 4.282 -9.250 538 HH TYR 25 HH TYR 25 6.376 5.573 -11.276 539 H LEU 26 H LEU 26 0.501 1.581 -5.821 540 HA LEU 26 HA LEU 26 0.999 -0.743 -4.147 541 HB2 LEU 26 2HB LEU 26 -1.563 0.662 -4.908 542 HB3 LEU 26 1HB LEU 26 -1.496 -0.761 -3.887 543 HG LEU 26 HG LEU 26 -0.747 2.047 -3.276 544 HD11 LEU 26 1HD1 LEU 26 -2.082 -0.166 -1.727 545 HD12 LEU 26 2HD1 LEU 26 -2.883 1.183 -2.532 546 HD13 LEU 26 3HD1 LEU 26 -1.833 1.481 -1.147 547 HD21 LEU 26 1HD2 LEU 26 0.504 1.216 -1.277 548 HD22 LEU 26 2HD2 LEU 26 1.332 1.019 -2.821 549 HD23 LEU 26 3HD2 LEU 26 0.554 -0.366 -2.056 550 H MET 27 H MET 27 0.849 -2.789 -4.893 551 HA MET 27 HA MET 27 -0.204 -3.102 -7.621 552 HB2 MET 27 2HB MET 27 1.674 -5.101 -6.480 553 HB3 MET 27 1HB MET 27 1.464 -4.548 -8.137 554 HG2 MET 27 2HG MET 27 2.458 -2.341 -7.339 555 HG3 MET 27 1HG MET 27 2.972 -3.240 -5.913 556 HE1 MET 27 1HE MET 27 3.295 -2.698 -9.702 557 HE2 MET 27 2HE MET 27 5.044 -2.898 -9.818 558 HE3 MET 27 3HE MET 27 4.363 -1.702 -8.714 559 H ALA 28 H ALA 28 -0.684 -5.532 -8.022 560 HA ALA 28 HA ALA 28 -3.075 -6.163 -6.936 561 HB1 ALA 28 1HB ALA 28 -2.760 -8.428 -7.779 562 HB2 ALA 28 2HB ALA 28 -1.027 -8.131 -7.932 563 HB3 ALA 28 3HB ALA 28 -2.169 -7.222 -8.922 564 H GLU 29 H GLU 29 0.007 -7.655 -5.803 565 HA GLU 29 HA GLU 29 -1.427 -8.160 -3.273 566 HB2 GLU 29 2HB GLU 29 0.357 -10.041 -4.809 567 HB3 GLU 29 1HB GLU 29 0.064 -10.232 -3.089 568 HG2 GLU 29 2HG GLU 29 -2.469 -10.034 -4.029 569 HG3 GLU 29 1HG GLU 29 -1.657 -10.849 -5.367 570 H ARG 30 H ARG 30 0.611 -6.066 -4.267 571 HA ARG 30 HA ARG 30 2.221 -6.209 -1.864 572 HB2 ARG 30 2HB ARG 30 4.328 -6.498 -2.773 573 HB3 ARG 30 1HB ARG 30 3.360 -7.602 -3.734 574 HG2 ARG 30 2HG ARG 30 3.186 -5.719 -5.445 575 HG3 ARG 30 1HG ARG 30 4.465 -4.922 -4.528 576 HD2 ARG 30 2HD ARG 30 4.574 -7.562 -5.966 577 HD3 ARG 30 1HD ARG 30 5.522 -6.111 -6.286 578 HE ARG 30 HE ARG 30 6.782 -6.552 -4.296 579 HH11 ARG 30 1HH1 ARG 30 4.594 -9.120 -5.283 580 HH12 ARG 30 2HH1 ARG 30 5.415 -10.337 -4.345 581 HH21 ARG 30 1HH2 ARG 30 7.868 -8.161 -3.083 582 HH22 ARG 30 2HH2 ARG 30 7.283 -9.793 -3.099 583 H ILE 31 H ILE 31 3.621 -4.374 -1.558 584 HA ILE 31 HA ILE 31 2.759 -1.983 -3.051 585 HB ILE 31 HB ILE 31 1.810 -1.653 -0.916 586 HG12 ILE 31 2HG1 ILE 31 4.547 -0.376 -0.726 587 HG13 ILE 31 1HG1 ILE 31 3.211 0.250 -1.686 588 HG21 ILE 31 1HG2 ILE 31 2.809 -3.523 0.242 589 HG22 ILE 31 2HG2 ILE 31 2.992 -2.054 1.202 590 HG23 ILE 31 3HG2 ILE 31 4.364 -2.693 0.296 591 HD11 ILE 31 1HD1 ILE 31 1.894 0.481 0.401 592 HD12 ILE 31 2HD1 ILE 31 3.349 1.479 0.359 593 HD13 ILE 31 3HD1 ILE 31 3.325 -0.009 1.309 594 H ALA 32 H ALA 32 4.406 -0.993 -4.064 595 HA ALA 32 HA ALA 32 7.109 -1.488 -3.028 596 HB1 ALA 32 1HB ALA 32 6.354 -1.574 -5.939 597 HB2 ALA 32 2HB ALA 32 6.655 -2.984 -4.923 598 HB3 ALA 32 3HB ALA 32 7.957 -1.841 -5.254 599 H TRP 33 H TRP 33 8.657 0.053 -3.475 600 HA TRP 33 HA TRP 33 7.662 2.640 -4.456 601 HB2 TRP 33 2HB TRP 33 7.789 2.747 -2.013 602 HB3 TRP 33 1HB TRP 33 9.444 2.149 -2.054 603 HD1 TRP 33 HD TRP 33 7.392 5.289 -2.915 604 HE1 TRP 33 1HE TRP 33 9.000 7.306 -3.006 605 HE3 TRP 33 3HE TRP 33 11.829 2.819 -2.347 606 HZ2 TRP 33 2HZ TRP 33 11.766 7.775 -2.862 607 HZ3 TRP 33 3HZ TRP 33 13.910 4.129 -2.327 608 HH2 TRP 33 HH TRP 33 13.875 6.556 -2.588 609 H ALA 34 H ALA 34 8.953 3.622 -5.892 610 HA ALA 34 HA ALA 34 11.665 2.542 -6.284 611 HB1 ALA 34 1HB ALA 34 10.123 1.722 -8.032 612 HB2 ALA 34 2HB ALA 34 11.402 2.748 -8.682 613 HB3 ALA 34 3HB ALA 34 9.773 3.392 -8.475 614 HA PRO 35 HA PRO 35 12.945 6.744 -5.755 615 HB2 PRO 35 2HB PRO 35 15.217 5.996 -7.496 616 HB3 PRO 35 1HB PRO 35 15.223 6.622 -5.844 617 HG2 PRO 35 2HG PRO 35 15.804 4.064 -6.356 618 HG3 PRO 35 1HG PRO 35 14.894 4.534 -4.907 619 HD2 PRO 35 2HD PRO 35 13.903 3.345 -7.467 620 HD3 PRO 35 1HD PRO 35 13.395 3.012 -5.798 621 H GLU 36 H GLU 36 13.354 8.651 -6.963 622 HA GLU 36 HA GLU 36 11.679 9.027 -9.136 623 HB2 GLU 36 2HB GLU 36 13.324 11.130 -9.420 624 HB3 GLU 36 1HB GLU 36 12.061 11.030 -8.206 625 HG2 GLU 36 2HG GLU 36 14.171 11.859 -7.292 626 HG3 GLU 36 1HG GLU 36 13.657 10.357 -6.533 627 H GLY 37 H GLY 37 11.811 8.875 -11.253 628 HA2 GLY 37 2HA GLY 37 12.626 8.581 -13.372 629 HA3 GLY 37 1HA GLY 37 14.180 9.134 -12.777 630 H LYS 38 H LYS 38 13.277 6.558 -10.890 631 HA LYS 38 HA LYS 38 14.805 4.724 -12.619 632 HB2 LYS 38 2HB LYS 38 14.618 4.771 -9.599 633 HB3 LYS 38 1HB LYS 38 15.557 3.624 -10.548 634 HG2 LYS 38 2HG LYS 38 17.100 5.242 -11.208 635 HG3 LYS 38 1HG LYS 38 16.017 6.573 -10.801 636 HD2 LYS 38 2HD LYS 38 16.228 5.771 -8.384 637 HD3 LYS 38 1HD LYS 38 17.590 4.802 -8.952 638 HE2 LYS 38 2HE LYS 38 18.432 6.878 -8.080 639 HE3 LYS 38 1HE LYS 38 18.634 6.875 -9.830 640 HZ1 LYS 38 1HZ LYS 38 16.423 8.132 -9.852 641 HZ2 LYS 38 2HZ LYS 38 17.792 8.978 -9.340 642 HZ3 LYS 38 3HZ LYS 38 16.685 8.401 -8.200 643 H ASP 39 H ASP 39 13.981 2.771 -13.109 644 HA ASP 39 HA ASP 39 11.226 2.253 -12.287 645 HB2 ASP 39 2HB ASP 39 10.988 0.982 -14.230 646 HB3 ASP 39 1HB ASP 39 12.109 2.240 -14.737 647 H ARG 40 H ARG 40 13.847 1.713 -10.781 648 HA ARG 40 HA ARG 40 13.491 -1.167 -10.321 649 HB2 ARG 40 2HB ARG 40 15.776 0.616 -9.448 650 HB3 ARG 40 1HB ARG 40 15.698 -1.132 -9.290 651 HG2 ARG 40 2HG ARG 40 15.638 0.273 -11.946 652 HG3 ARG 40 1HG ARG 40 17.128 -0.249 -11.160 653 HD2 ARG 40 2HD ARG 40 16.815 -2.177 -12.250 654 HD3 ARG 40 1HD ARG 40 15.587 -2.502 -11.029 655 HE ARG 40 HE ARG 40 14.614 -1.008 -13.304 656 HH11 ARG 40 1HH1 ARG 40 15.213 -4.214 -11.999 657 HH12 ARG 40 2HH1 ARG 40 14.066 -4.989 -13.037 658 HH21 ARG 40 1HH2 ARG 40 13.103 -2.018 -14.661 659 HH22 ARG 40 2HH2 ARG 40 12.869 -3.747 -14.563 660 H PHE 41 H PHE 41 12.153 -1.577 -8.704 661 HA PHE 41 HA PHE 41 11.593 0.341 -6.650 662 HB2 PHE 41 2HB PHE 41 10.748 -2.561 -6.842 663 HB3 PHE 41 1HB PHE 41 10.054 -1.346 -5.775 664 HD1 PHE 41 1HD PHE 41 8.600 0.396 -6.652 665 HD2 PHE 41 2HD PHE 41 10.197 -2.632 -9.182 666 HE1 PHE 41 1HE PHE 41 6.950 0.975 -8.380 667 HE2 PHE 41 2HE PHE 41 8.549 -2.055 -10.917 668 HZ PHE 41 HZ PHE 41 6.922 -0.248 -10.515 669 H THR 42 H THR 42 12.750 0.623 -4.871 670 HA THR 42 HA THR 42 14.722 -1.355 -4.086 671 HB THR 42 HB THR 42 15.010 0.533 -2.216 672 HG1 THR 42 1HG THR 42 14.240 2.473 -2.847 673 HG21 THR 42 1HG2 THR 42 16.618 1.651 -3.724 674 HG22 THR 42 2HG2 THR 42 15.912 0.785 -5.089 675 HG23 THR 42 3HG2 THR 42 16.734 -0.106 -3.808 676 H ILE 43 H ILE 43 11.629 -0.155 -3.109 677 HA ILE 43 HA ILE 43 11.679 -1.907 -0.736 678 HB ILE 43 HB ILE 43 9.868 0.467 -1.237 679 HG12 ILE 43 2HG1 ILE 43 12.225 1.136 -0.854 680 HG13 ILE 43 1HG1 ILE 43 11.160 1.653 0.448 681 HG21 ILE 43 1HG2 ILE 43 10.252 -1.220 1.231 682 HG22 ILE 43 2HG2 ILE 43 8.863 -1.276 0.148 683 HG23 ILE 43 3HG2 ILE 43 9.191 0.180 1.086 684 HD11 ILE 43 1HD1 ILE 43 11.935 -0.205 1.821 685 HD12 ILE 43 2HD1 ILE 43 13.275 0.817 1.301 686 HD13 ILE 43 3HD1 ILE 43 12.991 -0.734 0.511 687 H SER 44 H SER 44 10.433 -3.687 -0.911 688 HA SER 44 HA SER 44 7.954 -3.551 -2.429 689 HB2 SER 44 2HB SER 44 9.911 -4.327 -3.913 690 HB3 SER 44 1HB SER 44 9.892 -5.799 -2.944 691 HG SER 44 HG SER 44 8.200 -4.980 -4.928 692 H HIS 45 H HIS 45 6.627 -4.006 -0.772 693 HA HIS 45 HA HIS 45 7.146 -6.471 0.775 694 HB2 HIS 45 2HB HIS 45 5.762 -3.924 1.636 695 HB3 HIS 45 1HB HIS 45 5.714 -5.419 2.560 696 HD1 HIS 45 1HD HIS 45 8.141 -6.247 3.479 697 HD2 HIS 45 2HD HIS 45 7.859 -2.327 2.146 698 HE1 HIS 45 1HE HIS 45 10.109 -5.015 4.474 699 H MET 46 H MET 46 5.553 -7.966 0.886 700 HA MET 46 HA MET 46 3.259 -7.479 -0.843 701 HB2 MET 46 2HB MET 46 4.148 -9.975 0.629 702 HB3 MET 46 1HB MET 46 2.742 -9.884 -0.424 703 HG2 MET 46 2HG MET 46 4.351 -9.138 -2.241 704 HG3 MET 46 1HG MET 46 5.638 -9.660 -1.159 705 HE1 MET 46 1HE MET 46 2.410 -12.490 -2.866 706 HE2 MET 46 2HE MET 46 2.481 -10.761 -3.207 707 HE3 MET 46 3HE MET 46 2.077 -11.323 -1.585 708 H TYR 47 H TYR 47 1.136 -7.596 -0.091 709 HA TYR 47 HA TYR 47 0.648 -6.390 2.389 710 HB2 TYR 47 2HB TYR 47 -1.297 -8.031 0.752 711 HB3 TYR 47 1HB TYR 47 -1.719 -6.867 2.001 712 HD1 TYR 47 1HD TYR 47 -0.172 -4.528 1.452 713 HD2 TYR 47 2HD TYR 47 -1.932 -7.239 -1.306 714 HE1 TYR 47 1HE TYR 47 -0.244 -2.748 -0.245 715 HE2 TYR 47 2HE TYR 47 -2.010 -5.472 -3.006 716 HH TYR 47 HH TYR 47 -1.476 -3.396 -3.519 717 H ALA 48 H ALA 48 1.004 -9.700 1.493 718 HA ALA 48 HA ALA 48 -0.223 -10.834 3.807 719 HB1 ALA 48 1HB ALA 48 1.726 -12.135 1.916 720 HB2 ALA 48 2HB ALA 48 -0.008 -11.995 1.623 721 HB3 ALA 48 3HB ALA 48 0.582 -12.935 2.994 722 H ASP 49 H ASP 49 2.761 -9.269 3.352 723 HA ASP 49 HA ASP 49 4.025 -10.769 5.543 724 HB2 ASP 49 2HB ASP 49 5.444 -8.500 4.228 725 HB3 ASP 49 1HB ASP 49 6.091 -10.008 4.849 726 H ILE 50 H ILE 50 2.171 -8.046 5.004 727 HA ILE 50 HA ILE 50 3.416 -6.464 7.125 728 HB ILE 50 HB ILE 50 1.027 -5.789 5.399 729 HG12 ILE 50 2HG1 ILE 50 3.855 -4.763 5.122 730 HG13 ILE 50 1HG1 ILE 50 3.252 -6.139 4.207 731 HG21 ILE 50 1HG2 ILE 50 1.003 -4.528 7.438 732 HG22 ILE 50 2HG2 ILE 50 1.538 -3.467 6.135 733 HG23 ILE 50 3HG2 ILE 50 2.713 -4.134 7.268 734 HD11 ILE 50 1HD1 ILE 50 1.533 -4.703 3.215 735 HD12 ILE 50 2HD1 ILE 50 3.165 -4.130 2.878 736 HD13 ILE 50 3HD1 ILE 50 2.187 -3.328 4.107 737 H LYS 51 H LYS 51 2.536 -6.208 9.118 738 HA LYS 51 HA LYS 51 0.367 -7.971 9.882 739 HB2 LYS 51 2HB LYS 51 2.443 -7.694 11.253 740 HB3 LYS 51 1HB LYS 51 1.952 -6.041 11.587 741 HG2 LYS 51 2HG LYS 51 0.138 -6.721 12.893 742 HG3 LYS 51 1HG LYS 51 0.187 -8.368 12.260 743 HD2 LYS 51 2HD LYS 51 1.073 -8.389 14.490 744 HD3 LYS 51 1HD LYS 51 2.402 -8.659 13.362 745 HE2 LYS 51 2HE LYS 51 2.048 -5.843 13.880 746 HE3 LYS 51 1HE LYS 51 2.254 -6.735 15.386 747 HZ1 LYS 51 1HZ LYS 51 4.244 -7.797 14.265 748 HZ2 LYS 51 2HZ LYS 51 4.401 -6.166 14.689 749 HZ3 LYS 51 3HZ LYS 51 4.108 -6.593 13.078 750 H CYS 52 H CYS 52 1.083 -4.530 10.370 751 HA CYS 52 HA CYS 52 -1.674 -3.820 9.792 752 HB2 CYS 52 2HB CYS 52 -1.592 -2.319 11.915 753 HB3 CYS 52 1HB CYS 52 -1.993 -4.023 12.104 754 HG CYS 52 HG CYS 52 0.225 -2.358 13.694 755 H GLN 53 H GLN 53 -1.704 -1.143 10.135 756 HA GLN 53 HA GLN 53 0.886 -0.231 9.107 757 HB2 GLN 53 2HB GLN 53 -0.574 1.173 7.489 758 HB3 GLN 53 1HB GLN 53 -0.362 -0.525 7.128 759 HG2 GLN 53 2HG GLN 53 -2.508 -1.070 7.847 760 HG3 GLN 53 1HG GLN 53 -2.706 0.458 8.698 761 HE21 GLN 53 1HE2 GLN 53 -1.535 1.919 6.392 762 HE22 GLN 53 2HE2 GLN 53 -2.801 1.982 5.222 763 H LYS 54 H LYS 54 0.988 2.202 9.253 764 HA LYS 54 HA LYS 54 -0.897 3.423 11.155 765 HB2 LYS 54 2HB LYS 54 2.095 3.784 11.520 766 HB3 LYS 54 1HB LYS 54 0.799 4.311 12.567 767 HG2 LYS 54 2HG LYS 54 0.494 1.572 12.492 768 HG3 LYS 54 1HG LYS 54 2.244 1.818 12.540 769 HD2 LYS 54 2HD LYS 54 1.247 3.671 14.341 770 HD3 LYS 54 1HD LYS 54 0.253 2.237 14.606 771 HE2 LYS 54 2HE LYS 54 3.239 2.133 14.467 772 HE3 LYS 54 1HE LYS 54 2.369 2.439 15.968 773 HZ1 LYS 54 1HZ LYS 54 2.917 0.093 15.707 774 HZ2 LYS 54 2HZ LYS 54 2.045 0.034 14.259 775 HZ3 LYS 54 3HZ LYS 54 1.236 0.326 15.717 776 H ILE 55 H ILE 55 -0.551 5.812 11.151 777 HA ILE 55 HA ILE 55 0.773 6.735 8.664 778 HB ILE 55 HB ILE 55 -1.264 8.360 8.515 779 HG12 ILE 55 2HG1 ILE 55 -2.389 6.113 10.168 780 HG13 ILE 55 1HG1 ILE 55 -2.169 7.778 10.670 781 HG21 ILE 55 1HG2 ILE 55 -2.547 6.773 7.141 782 HG22 ILE 55 2HG2 ILE 55 -1.602 5.444 7.811 783 HG23 ILE 55 3HG2 ILE 55 -0.818 6.667 6.814 784 HD11 ILE 55 1HD1 ILE 55 -3.858 8.493 9.117 785 HD12 ILE 55 2HD1 ILE 55 -4.476 7.256 10.213 786 HD13 ILE 55 3HD1 ILE 55 -4.059 6.834 8.552 787 H SER 56 H SER 56 1.893 8.690 8.936 788 HA SER 56 HA SER 56 1.877 9.796 11.575 789 HB2 SER 56 2HB SER 56 3.560 11.262 10.878 790 HB3 SER 56 1HB SER 56 3.809 9.905 9.783 791 HG SER 56 HG SER 56 3.521 12.333 9.070 792 HA PRO 57 HA PRO 57 -2.194 11.361 11.026 793 HB2 PRO 57 2HB PRO 57 -2.087 12.924 13.312 794 HB3 PRO 57 1HB PRO 57 -2.525 11.215 13.243 795 HG2 PRO 57 2HG PRO 57 0.097 12.471 13.917 796 HG3 PRO 57 1HG PRO 57 -0.705 11.073 14.658 797 HD2 PRO 57 2HD PRO 57 1.302 10.755 12.955 798 HD3 PRO 57 1HD PRO 57 -0.092 9.656 12.943 799 H GLU 58 H GLU 58 -3.324 13.406 11.028 800 HA GLU 58 HA GLU 58 -2.007 15.416 9.541 801 HB2 GLU 58 2HB GLU 58 -4.344 16.559 10.616 802 HB3 GLU 58 1HB GLU 58 -4.143 15.859 9.019 803 HG2 GLU 58 2HG GLU 58 -5.002 14.322 11.464 804 HG3 GLU 58 1HG GLU 58 -6.100 14.996 10.263 805 H GLY 59 H GLY 59 -1.315 17.446 10.174 806 HA2 GLY 59 2HA GLY 59 -1.161 19.164 11.916 807 HA3 GLY 59 1HA GLY 59 -1.101 17.853 13.093 808 H LYS 60 H LYS 60 0.616 16.173 11.484 809 HA LYS 60 HA LYS 60 3.164 17.143 12.264 810 HB2 LYS 60 2HB LYS 60 2.168 14.837 10.647 811 HB3 LYS 60 1HB LYS 60 3.849 15.297 10.447 812 HG2 LYS 60 2HG LYS 60 3.972 15.089 13.029 813 HG3 LYS 60 1HG LYS 60 2.472 14.167 12.853 814 HD2 LYS 60 2HD LYS 60 3.482 12.468 11.708 815 HD3 LYS 60 1HD LYS 60 4.740 13.510 11.048 816 HE2 LYS 60 2HE LYS 60 4.546 12.421 13.843 817 HE3 LYS 60 1HE LYS 60 5.712 11.969 12.608 818 HZ1 LYS 60 1HZ LYS 60 5.516 14.567 14.009 819 HZ2 LYS 60 2HZ LYS 60 6.541 14.287 12.689 820 HZ3 LYS 60 3HZ LYS 60 6.757 13.422 14.138 821 H ALA 61 H ALA 61 4.907 17.809 10.844 822 HA ALA 61 HA ALA 61 4.013 19.583 8.784 823 HB1 ALA 61 1HB ALA 61 6.830 18.773 9.509 824 HB2 ALA 61 2HB ALA 61 5.938 20.118 10.220 825 HB3 ALA 61 3HB ALA 61 6.366 20.149 8.509 826 H LYS 62 H LYS 62 4.796 16.317 8.909 827 HA LYS 62 HA LYS 62 4.836 16.166 5.989 828 HB2 LYS 62 2HB LYS 62 6.758 14.783 7.868 829 HB3 LYS 62 1HB LYS 62 6.556 14.337 6.179 830 HG2 LYS 62 2HG LYS 62 7.841 16.014 5.477 831 HG3 LYS 62 1HG LYS 62 7.029 17.182 6.520 832 HD2 LYS 62 2HD LYS 62 9.261 17.145 7.256 833 HD3 LYS 62 1HD LYS 62 8.374 16.171 8.430 834 HE2 LYS 62 2HE LYS 62 9.049 14.156 7.040 835 HE3 LYS 62 1HE LYS 62 10.168 15.236 6.206 836 HZ1 LYS 62 1HZ LYS 62 11.292 15.683 8.258 837 HZ2 LYS 62 2HZ LYS 62 11.180 14.007 8.069 838 HZ3 LYS 62 3HZ LYS 62 10.139 14.803 9.146 839 H ILE 63 H ILE 63 3.071 15.076 5.481 840 HA ILE 63 HA ILE 63 1.800 13.215 7.275 841 HB ILE 63 HB ILE 63 1.152 13.887 4.399 842 HG12 ILE 63 2HG1 ILE 63 -0.661 14.943 6.391 843 HG13 ILE 63 1HG1 ILE 63 0.983 15.504 6.683 844 HG21 ILE 63 1HG2 ILE 63 0.171 11.775 5.096 845 HG22 ILE 63 2HG2 ILE 63 -1.074 13.010 4.907 846 HG23 ILE 63 3HG2 ILE 63 -0.523 12.553 6.519 847 HD11 ILE 63 1HD1 ILE 63 -0.536 15.772 4.101 848 HD12 ILE 63 2HD1 ILE 63 1.100 16.354 4.405 849 HD13 ILE 63 3HD1 ILE 63 -0.262 17.052 5.282 850 H GLN 64 H GLN 64 2.310 11.059 7.423 851 HA GLN 64 HA GLN 64 3.410 9.819 4.966 852 HB2 GLN 64 2HB GLN 64 4.692 9.435 7.668 853 HB3 GLN 64 1HB GLN 64 5.273 8.854 6.115 854 HG2 GLN 64 2HG GLN 64 5.553 11.246 5.429 855 HG3 GLN 64 1HG GLN 64 5.189 11.694 7.096 856 HE21 GLN 64 1HE2 GLN 64 6.961 8.819 6.236 857 HE22 GLN 64 2HE2 GLN 64 8.489 9.339 6.840 858 H LEU 65 H LEU 65 3.722 7.450 5.185 859 HA LEU 65 HA LEU 65 1.658 6.220 6.893 860 HB2 LEU 65 2HB LEU 65 1.116 6.201 4.452 861 HB3 LEU 65 1HB LEU 65 2.575 5.275 4.173 862 HG LEU 65 HG LEU 65 1.434 3.686 6.000 863 HD11 LEU 65 1HD1 LEU 65 -0.527 4.998 6.347 864 HD12 LEU 65 2HD1 LEU 65 -0.973 3.511 5.509 865 HD13 LEU 65 3HD1 LEU 65 -0.867 5.030 4.618 866 HD21 LEU 65 1HD2 LEU 65 0.549 2.349 4.151 867 HD22 LEU 65 2HD2 LEU 65 2.181 2.946 3.844 868 HD23 LEU 65 3HD2 LEU 65 0.797 3.716 3.067 869 H GLN 66 H GLN 66 2.224 4.295 7.907 870 HA GLN 66 HA GLN 66 5.028 3.439 7.639 871 HB2 GLN 66 2HB GLN 66 4.594 4.718 9.714 872 HB3 GLN 66 1HB GLN 66 3.366 3.546 10.160 873 HG2 GLN 66 2HG GLN 66 4.982 1.821 10.407 874 HG3 GLN 66 1HG GLN 66 6.249 2.829 9.708 875 HE21 GLN 66 1HE2 GLN 66 7.195 4.417 10.933 876 HE22 GLN 66 2HE2 GLN 66 6.989 4.523 12.649 877 H LEU 67 H LEU 67 5.287 1.343 7.202 878 HA LEU 67 HA LEU 67 2.957 -0.427 7.414 879 HB2 LEU 67 2HB LEU 67 5.540 -0.635 5.877 880 HB3 LEU 67 1HB LEU 67 4.407 -1.964 6.013 881 HG LEU 67 HG LEU 67 3.932 0.693 4.680 882 HD11 LEU 67 1HD1 LEU 67 4.032 -2.134 3.633 883 HD12 LEU 67 2HD1 LEU 67 5.264 -0.894 3.395 884 HD13 LEU 67 3HD1 LEU 67 3.662 -0.696 2.682 885 HD21 LEU 67 1HD2 LEU 67 1.920 -0.029 5.870 886 HD22 LEU 67 2HD2 LEU 67 2.019 -1.607 5.088 887 HD23 LEU 67 3HD2 LEU 67 1.714 -0.161 4.124 888 H VAL 68 H VAL 68 2.869 -1.531 9.293 889 HA VAL 68 HA VAL 68 5.384 -2.318 10.562 890 HB VAL 68 HB VAL 68 2.542 -2.418 11.594 891 HG11 VAL 68 1HG1 VAL 68 3.764 -4.353 12.432 892 HG12 VAL 68 2HG1 VAL 68 3.521 -3.175 13.723 893 HG13 VAL 68 3HG1 VAL 68 5.094 -3.312 12.937 894 HG21 VAL 68 1HG2 VAL 68 3.384 -0.794 13.221 895 HG22 VAL 68 2HG2 VAL 68 3.560 -0.207 11.566 896 HG23 VAL 68 3HG2 VAL 68 4.962 -0.834 12.436 897 H LEU 69 H LEU 69 6.198 -4.106 9.792 898 HA LEU 69 HA LEU 69 4.643 -6.091 8.498 899 HB2 LEU 69 2HB LEU 69 7.501 -6.222 9.422 900 HB3 LEU 69 1HB LEU 69 6.724 -7.348 8.320 901 HG LEU 69 HG LEU 69 7.756 -4.623 7.830 902 HD11 LEU 69 1HD1 LEU 69 8.401 -5.610 5.730 903 HD12 LEU 69 2HD1 LEU 69 7.471 -7.060 6.103 904 HD13 LEU 69 3HD1 LEU 69 8.887 -6.648 7.070 905 HD21 LEU 69 1HD2 LEU 69 5.359 -5.665 6.351 906 HD22 LEU 69 2HD2 LEU 69 6.337 -4.272 5.887 907 HD23 LEU 69 3HD2 LEU 69 5.412 -4.239 7.387 908 H HIS 70 H HIS 70 5.159 -8.510 9.189 909 HA HIS 70 HA HIS 70 3.623 -8.977 11.467 910 HB2 HIS 70 2HB HIS 70 5.393 -10.776 9.846 911 HB3 HIS 70 1HB HIS 70 4.475 -11.370 11.228 912 HD1 HIS 70 1HD HIS 70 1.858 -9.685 10.664 913 HD2 HIS 70 2HD HIS 70 3.925 -11.961 7.882 914 HE1 HIS 70 1HE HIS 70 0.228 -10.174 8.801 915 H ALA 71 H ALA 71 7.175 -9.255 11.153 916 HA ALA 71 HA ALA 71 7.512 -10.177 13.828 917 HB1 ALA 71 1HB ALA 71 9.147 -10.637 12.068 918 HB2 ALA 71 2HB ALA 71 9.887 -9.836 13.454 919 HB3 ALA 71 3HB ALA 71 9.539 -8.920 11.986 920 H GLY 72 H GLY 72 7.105 -7.065 12.447 921 HA2 GLY 72 2HA GLY 72 6.433 -5.321 14.096 922 HA3 GLY 72 1HA GLY 72 7.840 -5.824 15.032 923 H ASP 73 H ASP 73 8.085 -5.871 11.673 924 HA ASP 73 HA ASP 73 10.203 -3.948 11.602 925 HB2 ASP 73 2HB ASP 73 8.870 -5.046 9.149 926 HB3 ASP 73 1HB ASP 73 10.574 -4.750 9.433 927 H THR 74 H THR 74 10.115 -1.994 10.226 928 HA THR 74 HA THR 74 7.389 -1.151 9.587 929 HB THR 74 HB THR 74 7.939 1.134 10.600 930 HG1 THR 74 1HG THR 74 10.231 0.487 10.915 931 HG21 THR 74 1HG2 THR 74 7.616 -1.209 12.474 932 HG22 THR 74 2HG2 THR 74 6.316 -0.378 11.620 933 HG23 THR 74 3HG2 THR 74 7.246 0.473 12.854 934 H THR 75 H THR 75 7.235 -0.141 7.740 935 HA THR 75 HA THR 75 9.658 0.993 6.507 936 HB THR 75 HB THR 75 7.259 0.273 4.873 937 HG1 THR 75 1HG THR 75 8.789 -1.838 4.783 938 HG21 THR 75 1HG2 THR 75 10.230 0.067 4.368 939 HG22 THR 75 2HG2 THR 75 9.205 1.414 3.875 940 HG23 THR 75 3HG2 THR 75 8.949 -0.188 3.183 941 H ASN 76 H ASN 76 9.638 3.148 6.372 942 HA ASN 76 HA ASN 76 7.104 4.562 6.723 943 HB2 ASN 76 2HB ASN 76 9.952 5.204 7.268 944 HB3 ASN 76 1HB ASN 76 8.900 6.546 6.829 945 HD21 ASN 76 1HD2 ASN 76 9.302 7.346 8.951 946 HD22 ASN 76 2HD2 ASN 76 8.400 6.730 10.288 947 H PHE 77 H PHE 77 6.245 5.903 5.272 948 HA PHE 77 HA PHE 77 7.744 6.474 2.810 949 HB2 PHE 77 2HB PHE 77 4.887 5.501 3.023 950 HB3 PHE 77 1HB PHE 77 5.570 6.204 1.560 951 HD1 PHE 77 1HD PHE 77 7.891 5.083 0.854 952 HD2 PHE 77 2HD PHE 77 4.842 3.226 3.166 953 HE1 PHE 77 1HE PHE 77 8.742 2.875 0.192 954 HE2 PHE 77 2HE PHE 77 5.688 1.012 2.508 955 HZ PHE 77 HZ PHE 77 7.638 0.834 1.020 956 H HIS 78 H HIS 78 8.044 8.602 2.867 957 HA HIS 78 HA HIS 78 6.078 10.353 4.095 958 HB2 HIS 78 2HB HIS 78 8.408 10.815 4.555 959 HB3 HIS 78 1HB HIS 78 8.785 10.877 2.840 960 HD1 HIS 78 1HD HIS 78 9.773 13.322 3.424 961 HD2 HIS 78 2HD HIS 78 5.656 12.885 3.782 962 HE1 HIS 78 1HE HIS 78 8.806 15.652 3.405 963 H PHE 79 H PHE 79 4.439 11.170 2.999 964 HA PHE 79 HA PHE 79 4.430 11.146 0.102 965 HB2 PHE 79 2HB PHE 79 2.357 12.048 2.122 966 HB3 PHE 79 1HB PHE 79 2.107 12.046 0.380 967 HD1 PHE 79 1HD PHE 79 2.514 9.950 3.363 968 HD2 PHE 79 2HD PHE 79 1.712 10.010 -0.814 969 HE1 PHE 79 1HE PHE 79 1.752 7.614 3.482 970 HE2 PHE 79 2HE PHE 79 0.948 7.673 -0.704 971 HZ PHE 79 HZ PHE 79 0.962 6.477 1.446 972 H SER 80 H SER 80 6.214 12.596 -0.080 973 HA SER 80 HA SER 80 6.070 15.288 0.859 974 HB2 SER 80 2HB SER 80 8.065 15.351 -0.926 975 HB3 SER 80 1HB SER 80 8.251 14.658 0.687 976 HG SER 80 HG SER 80 7.429 13.138 -1.566 977 H ASN 81 H ASN 81 4.012 14.194 -1.183 978 HA ASN 81 HA ASN 81 4.468 16.051 -3.381 979 HB2 ASN 81 2HB ASN 81 3.598 13.706 -3.762 980 HB3 ASN 81 1HB ASN 81 2.097 14.219 -2.996 981 HD21 ASN 81 1HD2 ASN 81 1.229 13.565 -5.090 982 HD22 ASN 81 2HD2 ASN 81 1.209 14.741 -6.368 983 H GLU 82 H GLU 82 4.066 18.077 -2.821 984 HA GLU 82 HA GLU 82 2.320 18.958 -0.825 985 HB2 GLU 82 2HB GLU 82 3.289 20.493 -3.241 986 HB3 GLU 82 1HB GLU 82 2.676 21.187 -1.748 987 HG2 GLU 82 2HG GLU 82 4.938 21.396 -1.451 988 HG3 GLU 82 1HG GLU 82 4.627 19.860 -0.646 989 H SER 83 H SER 83 1.630 17.979 -4.045 990 HA SER 83 HA SER 83 -0.778 19.529 -4.302 991 HB2 SER 83 2HB SER 83 0.124 17.170 -5.961 992 HB3 SER 83 1HB SER 83 -1.066 18.394 -6.410 993 HG SER 83 HG SER 83 1.357 19.436 -5.668 994 H THR 84 H THR 84 -0.097 16.048 -3.779 995 HA THR 84 HA THR 84 -2.836 15.820 -2.723 996 HB THR 84 HB THR 84 -2.551 13.376 -3.782 997 HG1 THR 84 1HG THR 84 -0.661 13.563 -4.849 998 HG21 THR 84 1HG2 THR 84 -3.853 14.150 -5.712 999 HG22 THR 84 2HG2 THR 84 -3.422 15.818 -5.332 1000 HG23 THR 84 3HG2 THR 84 -4.424 14.889 -4.216 1001 H ALA 85 H ALA 85 -0.407 16.072 -1.145 1002 HA ALA 85 HA ALA 85 0.755 13.719 -0.291 1003 HB1 ALA 85 1HB ALA 85 1.308 14.844 1.772 1004 HB2 ALA 85 2HB ALA 85 0.064 16.058 1.476 1005 HB3 ALA 85 3HB ALA 85 1.473 15.964 0.420 1006 H VAL 86 H VAL 86 -1.788 15.346 1.569 1007 HA VAL 86 HA VAL 86 -2.417 13.209 3.235 1008 HB VAL 86 HB VAL 86 -4.140 15.504 2.299 1009 HG11 VAL 86 1HG1 VAL 86 -5.595 13.784 3.152 1010 HG12 VAL 86 2HG1 VAL 86 -5.476 15.073 4.352 1011 HG13 VAL 86 3HG1 VAL 86 -4.574 13.573 4.574 1012 HG21 VAL 86 1HG2 VAL 86 -2.156 16.234 3.453 1013 HG22 VAL 86 2HG2 VAL 86 -2.498 15.135 4.790 1014 HG23 VAL 86 3HG2 VAL 86 -3.575 16.495 4.469 1015 H LYS 87 H LYS 87 -3.780 14.162 0.141 1016 HA LYS 87 HA LYS 87 -5.946 12.390 0.062 1017 HB2 LYS 87 2HB LYS 87 -4.403 13.531 -2.273 1018 HB3 LYS 87 1HB LYS 87 -6.047 12.906 -2.312 1019 HG2 LYS 87 2HG LYS 87 -6.915 14.728 -1.185 1020 HG3 LYS 87 1HG LYS 87 -5.362 15.153 -0.467 1021 HD2 LYS 87 2HD LYS 87 -4.598 15.676 -2.845 1022 HD3 LYS 87 1HD LYS 87 -6.303 15.595 -3.288 1023 HE2 LYS 87 2HE LYS 87 -6.851 17.418 -1.879 1024 HE3 LYS 87 1HE LYS 87 -5.283 17.361 -1.077 1025 HZ1 LYS 87 1HZ LYS 87 -4.235 18.053 -3.154 1026 HZ2 LYS 87 2HZ LYS 87 -5.393 19.185 -2.652 1027 HZ3 LYS 87 3HZ LYS 87 -5.751 18.118 -3.913 1028 H GLU 88 H GLU 88 -2.672 12.045 -1.346 1029 HA GLU 88 HA GLU 88 -3.172 9.424 -2.342 1030 HB2 GLU 88 2HB GLU 88 -0.586 10.894 -1.801 1031 HB3 GLU 88 1HB GLU 88 -0.676 9.324 -2.588 1032 HG2 GLU 88 2HG GLU 88 -1.904 10.252 -4.425 1033 HG3 GLU 88 1HG GLU 88 -2.026 11.809 -3.610 1034 H ARG 89 H ARG 89 -1.870 10.733 0.637 1035 HA ARG 89 HA ARG 89 -0.824 8.410 1.775 1036 HB2 ARG 89 2HB ARG 89 -0.458 10.588 2.785 1037 HB3 ARG 89 1HB ARG 89 -2.178 10.777 3.090 1038 HG2 ARG 89 2HG ARG 89 -1.001 8.379 4.293 1039 HG3 ARG 89 1HG ARG 89 -0.350 9.902 4.904 1040 HD2 ARG 89 2HD ARG 89 -3.115 10.281 4.762 1041 HD3 ARG 89 1HD ARG 89 -2.904 8.655 5.410 1042 HE ARG 89 HE ARG 89 -1.215 10.019 6.937 1043 HH11 ARG 89 1HH1 ARG 89 -4.520 10.799 5.987 1044 HH12 ARG 89 2HH1 ARG 89 -4.829 11.723 7.440 1045 HH21 ARG 89 1HH2 ARG 89 -1.666 11.209 8.837 1046 HH22 ARG 89 2HH2 ARG 89 -3.253 11.900 9.064 1047 H ASP 90 H ASP 90 -4.070 9.791 2.038 1048 HA ASP 90 HA ASP 90 -5.141 7.662 3.579 1049 HB2 ASP 90 2HB ASP 90 -6.222 10.045 2.176 1050 HB3 ASP 90 1HB ASP 90 -7.354 8.743 2.544 1051 H ALA 91 H ALA 91 -4.826 8.205 0.114 1052 HA ALA 91 HA ALA 91 -6.658 6.253 -0.750 1053 HB1 ALA 91 1HB ALA 91 -5.710 7.957 -2.242 1054 HB2 ALA 91 2HB ALA 91 -5.471 6.329 -2.878 1055 HB3 ALA 91 3HB ALA 91 -4.131 7.183 -2.114 1056 H VAL 92 H VAL 92 -3.196 6.113 -0.007 1057 HA VAL 92 HA VAL 92 -2.930 3.321 -0.609 1058 HB VAL 92 HB VAL 92 -1.147 5.025 1.152 1059 HG11 VAL 92 1HG1 VAL 92 0.591 3.405 0.594 1060 HG12 VAL 92 2HG1 VAL 92 -0.570 2.479 -0.357 1061 HG13 VAL 92 3HG1 VAL 92 -0.778 2.624 1.388 1062 HG21 VAL 92 1HG2 VAL 92 -1.015 4.563 -1.822 1063 HG22 VAL 92 2HG2 VAL 92 0.249 5.330 -0.860 1064 HG23 VAL 92 3HG2 VAL 92 -1.336 6.090 -1.002 1065 H LYS 93 H LYS 93 -3.632 5.271 2.159 1066 HA LYS 93 HA LYS 93 -3.285 3.355 4.187 1067 HB2 LYS 93 2HB LYS 93 -3.298 5.475 5.016 1068 HB3 LYS 93 1HB LYS 93 -4.498 6.033 3.870 1069 HG2 LYS 93 2HG LYS 93 -6.244 4.903 5.191 1070 HG3 LYS 93 1HG LYS 93 -5.012 4.452 6.374 1071 HD2 LYS 93 2HD LYS 93 -4.702 6.621 7.080 1072 HD3 LYS 93 1HD LYS 93 -5.279 7.308 5.561 1073 HE2 LYS 93 2HE LYS 93 -7.125 5.791 7.353 1074 HE3 LYS 93 1HE LYS 93 -6.752 7.481 7.677 1075 HZ1 LYS 93 1HZ LYS 93 -8.756 7.285 6.368 1076 HZ2 LYS 93 2HZ LYS 93 -7.950 6.409 5.167 1077 HZ3 LYS 93 3HZ LYS 93 -7.552 8.042 5.452 1078 H ASP 94 H ASP 94 -6.254 4.562 2.632 1079 HA ASP 94 HA ASP 94 -7.977 2.746 3.937 1080 HB2 ASP 94 2HB ASP 94 -8.200 4.672 1.697 1081 HB3 ASP 94 1HB ASP 94 -9.418 3.406 1.778 1082 H LEU 95 H LEU 95 -6.183 2.547 0.953 1083 HA LEU 95 HA LEU 95 -7.561 0.195 0.023 1084 HB2 LEU 95 2HB LEU 95 -6.258 1.965 -1.368 1085 HB3 LEU 95 1HB LEU 95 -4.836 1.042 -0.918 1086 HG LEU 95 HG LEU 95 -5.778 -0.955 -1.986 1087 HD11 LEU 95 1HD1 LEU 95 -8.155 -0.394 -1.622 1088 HD12 LEU 95 2HD1 LEU 95 -7.804 -0.850 -3.289 1089 HD13 LEU 95 3HD1 LEU 95 -8.026 0.848 -2.869 1090 HD21 LEU 95 1HD2 LEU 95 -5.597 -0.200 -4.302 1091 HD22 LEU 95 2HD2 LEU 95 -4.355 0.536 -3.289 1092 HD23 LEU 95 3HD2 LEU 95 -5.768 1.475 -3.774 1093 H LEU 96 H LEU 96 -4.747 0.889 1.986 1094 HA LEU 96 HA LEU 96 -3.652 -1.715 1.874 1095 HB2 LEU 96 2HB LEU 96 -3.294 0.647 3.628 1096 HB3 LEU 96 1HB LEU 96 -2.776 -0.908 4.256 1097 HG LEU 96 HG LEU 96 -1.835 0.322 1.665 1098 HD11 LEU 96 1HD1 LEU 96 -0.411 -0.009 4.294 1099 HD12 LEU 96 2HD1 LEU 96 -1.021 1.512 3.641 1100 HD13 LEU 96 3HD1 LEU 96 0.275 0.652 2.809 1101 HD21 LEU 96 1HD2 LEU 96 -1.768 -2.046 1.472 1102 HD22 LEU 96 2HD2 LEU 96 -1.090 -2.221 3.091 1103 HD23 LEU 96 3HD2 LEU 96 -0.124 -1.498 1.802 1104 H GLN 97 H GLN 97 -5.478 -0.167 4.587 1105 HA GLN 97 HA GLN 97 -6.077 -2.391 6.038 1106 HB2 GLN 97 2HB GLN 97 -8.459 -1.185 6.274 1107 HB3 GLN 97 1HB GLN 97 -6.999 -0.562 7.040 1108 HG2 GLN 97 2HG GLN 97 -6.768 0.746 4.806 1109 HG3 GLN 97 1HG GLN 97 -8.494 0.417 4.676 1110 HE21 GLN 97 1HE2 GLN 97 -6.999 0.782 7.759 1111 HE22 GLN 97 2HE2 GLN 97 -7.663 2.338 8.122 1112 H GLN 98 H GLN 98 -7.544 -1.411 3.034 1113 HA GLN 98 HA GLN 98 -9.565 -3.352 2.892 1114 HB2 GLN 98 2HB GLN 98 -8.187 -1.509 1.044 1115 HB3 GLN 98 1HB GLN 98 -9.030 -2.861 0.305 1116 HG2 GLN 98 2HG GLN 98 -10.497 -1.370 2.370 1117 HG3 GLN 98 1HG GLN 98 -10.188 -0.532 0.844 1118 HE21 GLN 98 1HE2 GLN 98 -11.582 -3.384 2.292 1119 HE22 GLN 98 2HE2 GLN 98 -12.651 -3.769 0.981 1120 H LEU 99 H LEU 99 -6.337 -3.339 1.376 1121 HA LEU 99 HA LEU 99 -6.746 -6.028 0.402 1122 HB2 LEU 99 2HB LEU 99 -4.439 -4.139 0.103 1123 HB3 LEU 99 1HB LEU 99 -4.601 -5.679 -0.730 1124 HG LEU 99 HG LEU 99 -6.608 -3.461 -0.975 1125 HD11 LEU 99 1HD1 LEU 99 -4.185 -4.047 -2.665 1126 HD12 LEU 99 2HD1 LEU 99 -4.575 -2.550 -1.816 1127 HD13 LEU 99 3HD1 LEU 99 -5.536 -3.049 -3.208 1128 HD21 LEU 99 1HD2 LEU 99 -7.465 -5.637 -1.555 1129 HD22 LEU 99 2HD2 LEU 99 -6.092 -5.920 -2.625 1130 HD23 LEU 99 3HD2 LEU 99 -7.266 -4.662 -3.011 1131 H LEU 100 H LEU 100 -4.858 -4.511 2.939 1132 HA LEU 100 HA LEU 100 -2.825 -6.291 3.331 1133 HB2 LEU 100 2HB LEU 100 -4.341 -4.561 5.236 1134 HB3 LEU 100 1HB LEU 100 -3.114 -5.658 5.846 1135 HG LEU 100 HG LEU 100 -2.625 -3.551 3.744 1136 HD11 LEU 100 1HD1 LEU 100 -1.420 -2.309 5.473 1137 HD12 LEU 100 2HD1 LEU 100 -1.886 -3.509 6.678 1138 HD13 LEU 100 3HD1 LEU 100 -3.118 -2.504 5.913 1139 HD21 LEU 100 1HD2 LEU 100 -1.150 -5.461 3.560 1140 HD22 LEU 100 2HD2 LEU 100 -0.738 -5.328 5.270 1141 HD23 LEU 100 3HD2 LEU 100 -0.270 -4.050 4.147 1142 HA PRO 101 HA PRO 101 -5.215 -9.244 6.164 1143 HB2 PRO 101 2HB PRO 101 -7.807 -8.894 6.766 1144 HB3 PRO 101 1HB PRO 101 -6.524 -8.037 7.631 1145 HG2 PRO 101 2HG PRO 101 -8.309 -7.063 5.439 1146 HG3 PRO 101 1HG PRO 101 -7.791 -6.230 6.914 1147 HD2 PRO 101 2HD PRO 101 -6.660 -5.830 4.447 1148 HD3 PRO 101 1HD PRO 101 -5.815 -5.557 5.983 1149 H LYS 102 H LYS 102 -6.726 -8.045 3.326 1150 HA LYS 102 HA LYS 102 -8.424 -10.281 2.814 1151 HB2 LYS 102 2HB LYS 102 -8.732 -7.996 1.821 1152 HB3 LYS 102 1HB LYS 102 -7.320 -8.297 0.818 1153 HG2 LYS 102 2HG LYS 102 -8.530 -10.324 -0.069 1154 HG3 LYS 102 1HG LYS 102 -9.966 -9.720 0.755 1155 HD2 LYS 102 2HD LYS 102 -8.390 -8.255 -1.359 1156 HD3 LYS 102 1HD LYS 102 -9.944 -9.056 -1.596 1157 HE2 LYS 102 2HE LYS 102 -9.437 -6.755 0.285 1158 HE3 LYS 102 1HE LYS 102 -10.150 -6.615 -1.321 1159 HZ1 LYS 102 1HZ LYS 102 -12.108 -6.917 -0.331 1160 HZ2 LYS 102 2HZ LYS 102 -11.388 -7.352 1.145 1161 HZ3 LYS 102 3HZ LYS 102 -11.649 -8.525 -0.042 1162 H PHE 103 H PHE 103 -5.192 -9.302 1.778 1163 HA PHE 103 HA PHE 103 -4.904 -11.646 0.143 1164 HB2 PHE 103 2HB PHE 103 -3.093 -9.352 0.805 1165 HB3 PHE 103 1HB PHE 103 -2.519 -10.757 -0.101 1166 HD1 PHE 103 1HD PHE 103 -4.340 -11.526 -1.953 1167 HD2 PHE 103 2HD PHE 103 -3.756 -7.580 -0.493 1168 HE1 PHE 103 1HE PHE 103 -5.372 -10.627 -3.993 1169 HE2 PHE 103 2HE PHE 103 -4.782 -6.671 -2.532 1170 HZ PHE 103 HZ PHE 103 -5.578 -8.200 -4.289 1171 H LYS 104 H LYS 104 -4.282 -10.857 3.430 1172 HA LYS 104 HA LYS 104 -2.329 -12.892 3.882 1173 HB2 LYS 104 2HB LYS 104 -4.371 -11.680 5.776 1174 HB3 LYS 104 1HB LYS 104 -3.068 -12.750 6.268 1175 HG2 LYS 104 2HG LYS 104 -1.424 -11.111 5.571 1176 HG3 LYS 104 1HG LYS 104 -2.709 -10.045 4.995 1177 HD2 LYS 104 2HD LYS 104 -3.569 -10.408 7.490 1178 HD3 LYS 104 1HD LYS 104 -1.847 -10.671 7.764 1179 HE2 LYS 104 2HE LYS 104 -1.301 -8.511 6.951 1180 HE3 LYS 104 1HE LYS 104 -2.928 -8.265 6.320 1181 HZ1 LYS 104 1HZ LYS 104 -3.020 -8.814 9.100 1182 HZ2 LYS 104 2HZ LYS 104 -3.577 -7.449 8.262 1183 HZ3 LYS 104 3HZ LYS 104 -1.975 -7.516 8.799 1184 H ARG 105 H ARG 105 -2.768 -14.956 3.365 1185 HA ARG 105 HA ARG 105 -5.241 -15.958 2.662 1186 HB2 ARG 105 2HB ARG 105 -2.635 -17.195 3.377 1187 HB3 ARG 105 1HB ARG 105 -4.041 -18.248 3.302 1188 HG2 ARG 105 2HG ARG 105 -2.853 -18.239 1.182 1189 HG3 ARG 105 1HG ARG 105 -4.460 -17.540 0.997 1190 HD2 ARG 105 2HD ARG 105 -3.460 -15.284 1.126 1191 HD3 ARG 105 1HD ARG 105 -1.863 -16.018 1.236 1192 HE ARG 105 HE ARG 105 -2.966 -17.037 -1.064 1193 HH11 ARG 105 1HH1 ARG 105 -2.304 -13.815 0.141 1194 HH12 ARG 105 2HH1 ARG 105 -1.984 -13.145 -1.441 1195 HH21 ARG 105 1HH2 ARG 105 -2.572 -16.124 -3.159 1196 HH22 ARG 105 2HH2 ARG 105 -2.160 -14.434 -3.294 1197 H LYS 106 H LYS 106 -6.818 -15.549 3.961 1198 HA LYS 106 HA LYS 106 -7.875 -15.230 6.021 1199 HB2 LYS 106 2HB LYS 106 -8.382 -17.630 4.518 1200 HB3 LYS 106 1HB LYS 106 -8.858 -17.809 6.202 1201 HG2 LYS 106 2HG LYS 106 -10.495 -16.802 4.375 1202 HG3 LYS 106 1HG LYS 106 -10.513 -16.255 6.051 1203 HD2 LYS 106 2HD LYS 106 -8.629 -14.828 4.283 1204 HD3 LYS 106 1HD LYS 106 -10.335 -14.602 3.899 1205 HE2 LYS 106 2HE LYS 106 -10.801 -13.710 6.037 1206 HE3 LYS 106 1HE LYS 106 -9.264 -14.267 6.691 1207 HZ1 LYS 106 1HZ LYS 106 -8.337 -12.663 4.843 1208 HZ2 LYS 106 2HZ LYS 106 -8.791 -12.080 6.363 1209 HZ3 LYS 106 3HZ LYS 106 -9.846 -11.910 5.035 1210 H ALA 107 H ALA 107 -5.840 -14.989 7.224 1211 HA ALA 107 HA ALA 107 -6.005 -16.682 9.588 1212 HB1 ALA 107 1HB ALA 107 -3.528 -16.752 9.769 1213 HB2 ALA 107 2HB ALA 107 -3.413 -16.035 8.162 1214 HB3 ALA 107 3HB ALA 107 -4.122 -17.636 8.364 1215 H ASN 108 H ASN 108 -6.703 -14.046 8.438 1216 HA ASN 108 HA ASN 108 -6.317 -12.374 10.669 1217 HB2 ASN 108 2HB ASN 108 -4.034 -12.306 9.460 1218 HB3 ASN 108 1HB ASN 108 -4.874 -11.463 8.170 1219 HD21 ASN 108 1HD2 ASN 108 -6.601 -9.923 9.919 1220 HD22 ASN 108 2HD2 ASN 108 -5.573 -8.720 10.643 Start of MODEL 20 1 H ARG 390 2HT ARG 390 19.066 4.277 4.969 2 HA ARG 390 HA ARG 390 20.211 2.330 3.044 3 HB2 ARG 390 2HB ARG 390 21.482 4.752 4.335 4 HB3 ARG 390 1HB ARG 390 22.243 3.659 3.191 5 HG2 ARG 390 2HG ARG 390 21.123 4.544 1.391 6 HG3 ARG 390 1HG ARG 390 19.779 5.128 2.379 7 HD2 ARG 390 2HD ARG 390 21.267 6.814 3.375 8 HD3 ARG 390 1HD ARG 390 22.578 6.251 2.344 9 HE ARG 390 HE ARG 390 21.638 7.367 0.567 10 HH11 ARG 390 1HH1 ARG 390 19.342 7.285 3.218 11 HH12 ARG 390 2HH1 ARG 390 18.311 8.499 2.518 12 HH21 ARG 390 1HH2 ARG 390 20.298 8.998 -0.324 13 HH22 ARG 390 2HH2 ARG 390 18.859 9.486 0.517 14 H ARG 391 H ARG 391 19.555 3.143 6.310 15 HA ARG 391 HA ARG 391 20.061 2.119 8.281 16 HB2 ARG 391 2HB ARG 391 19.944 0.006 6.766 17 HB3 ARG 391 1HB ARG 391 21.701 0.049 6.830 18 HG2 ARG 391 2HG ARG 391 20.988 0.278 9.474 19 HG3 ARG 391 1HG ARG 391 19.777 -0.829 8.827 20 HD2 ARG 391 2HD ARG 391 21.693 -2.070 9.649 21 HD3 ARG 391 1HD ARG 391 21.573 -2.226 7.897 22 HE ARG 391 HE ARG 391 23.269 -0.066 8.527 23 HH11 ARG 391 1HH1 ARG 391 23.198 -3.566 8.647 24 HH12 ARG 391 2HH1 ARG 391 24.915 -3.738 8.504 25 HH21 ARG 391 1HH2 ARG 391 25.533 -0.283 8.337 26 HH22 ARG 391 2HH2 ARG 391 26.250 -1.859 8.326 27 H ARG 392 H ARG 392 21.457 4.207 7.331 28 HA ARG 392 HA ARG 392 23.850 4.221 8.859 29 HB2 ARG 392 2HB ARG 392 24.532 3.046 6.672 30 HB3 ARG 392 1HB ARG 392 24.193 4.567 5.863 31 HG2 ARG 392 2HG ARG 392 25.879 5.410 7.795 32 HG3 ARG 392 1HG ARG 392 26.482 3.773 7.527 33 HD2 ARG 392 2HD ARG 392 27.646 5.326 6.076 34 HD3 ARG 392 1HD ARG 392 26.634 4.250 5.114 35 HE ARG 392 HE ARG 392 25.283 6.679 5.771 36 HH11 ARG 392 1HH1 ARG 392 27.651 5.313 3.588 37 HH12 ARG 392 2HH1 ARG 392 27.343 6.460 2.329 38 HH21 ARG 392 1HH2 ARG 392 24.856 8.190 4.117 39 HH22 ARG 392 2HH2 ARG 392 25.750 8.107 2.630 40 H THR 393 H THR 393 24.995 6.542 7.739 41 HA THR 393 HA THR 393 23.198 8.562 8.444 42 HB THR 393 HB THR 393 25.114 9.546 6.538 43 HG1 THR 393 1HG THR 393 26.883 8.646 8.146 44 HG21 THR 393 1HG2 THR 393 25.001 9.673 9.556 45 HG22 THR 393 2HG2 THR 393 24.270 10.822 8.436 46 HG23 THR 393 3HG2 THR 393 26.025 10.678 8.531 47 H GLU 394 H GLU 394 21.273 8.597 7.407 48 HA GLU 394 HA GLU 394 20.875 7.996 4.690 49 HB2 GLU 394 2HB GLU 394 19.087 9.568 6.549 50 HB3 GLU 394 1HB GLU 394 18.601 8.816 5.036 51 HG2 GLU 394 2HG GLU 394 19.582 7.374 7.492 52 HG3 GLU 394 1HG GLU 394 17.908 7.486 6.955 53 H ALA 395 H ALA 395 22.061 9.141 3.310 54 HA ALA 395 HA ALA 395 21.157 11.653 2.429 55 HB1 ALA 395 1HB ALA 395 23.854 11.703 3.793 56 HB2 ALA 395 2HB ALA 395 22.389 12.475 4.401 57 HB3 ALA 395 3HB ALA 395 23.116 13.027 2.892 58 H LEU 396 H LEU 396 22.037 12.166 0.418 59 HA LEU 396 HA LEU 396 24.207 10.496 -0.610 60 HB2 LEU 396 2HB LEU 396 21.405 10.584 -1.665 61 HB3 LEU 396 1HB LEU 396 22.736 10.361 -2.783 62 HG LEU 396 HG LEU 396 22.075 8.553 -0.453 63 HD11 LEU 396 1HD1 LEU 396 21.751 8.159 -3.425 64 HD12 LEU 396 2HD1 LEU 396 20.452 8.373 -2.251 65 HD13 LEU 396 3HD1 LEU 396 21.470 6.934 -2.187 66 HD21 LEU 396 1HD2 LEU 396 24.166 8.276 -2.611 67 HD22 LEU 396 2HD2 LEU 396 23.796 7.086 -1.362 68 HD23 LEU 396 3HD2 LEU 396 24.478 8.650 -0.916 69 H GLY 397 H GLY 397 21.903 12.511 -2.339 70 HA2 GLY 397 2HA GLY 397 24.066 14.474 -2.808 71 HA3 GLY 397 1HA GLY 397 22.883 14.027 -4.037 72 H ASP 398 H ASP 398 21.053 13.832 -1.558 73 HA ASP 398 HA ASP 398 20.296 16.667 -1.478 74 HB2 ASP 398 2HB ASP 398 17.976 15.827 -1.102 75 HB3 ASP 398 1HB ASP 398 18.632 15.358 -2.665 76 H ALA 399 H ALA 399 19.682 17.524 0.519 77 HA ALA 399 HA ALA 399 19.670 15.861 2.875 78 HB1 ALA 399 1HB ALA 399 21.507 16.967 4.006 79 HB2 ALA 399 2HB ALA 399 21.813 17.966 2.586 80 HB3 ALA 399 3HB ALA 399 22.079 16.223 2.512 81 H GLU 400 H GLU 400 17.503 16.789 2.736 82 HA GLU 400 HA GLU 400 17.438 19.484 3.904 83 HB2 GLU 400 2HB GLU 400 14.983 19.321 2.831 84 HB3 GLU 400 1HB GLU 400 16.363 19.987 1.973 85 HG2 GLU 400 2HG GLU 400 15.125 18.487 0.543 86 HG3 GLU 400 1HG GLU 400 16.723 17.824 0.882 87 H GLU 401 H GLU 401 14.349 18.595 3.843 88 HA GLU 401 HA GLU 401 14.167 18.119 6.619 89 HB2 GLU 401 2HB GLU 401 12.399 18.698 4.495 90 HB3 GLU 401 1HB GLU 401 11.828 17.198 5.216 91 HG2 GLU 401 2HG GLU 401 12.476 19.602 6.883 92 HG3 GLU 401 1HG GLU 401 10.899 19.388 6.125 93 H ASP 402 H ASP 402 13.603 16.220 7.751 94 HA ASP 402 HA ASP 402 14.231 13.759 6.247 95 HB2 ASP 402 2HB ASP 402 15.759 14.696 8.240 96 HB3 ASP 402 1HB ASP 402 14.594 13.777 9.192 97 H GLU 403 H GLU 403 12.925 12.056 6.420 98 HA GLU 403 HA GLU 403 10.249 12.324 7.053 99 HB2 GLU 403 2HB GLU 403 12.014 9.879 6.935 100 HB3 GLU 403 1HB GLU 403 10.278 9.780 7.170 101 HG2 GLU 403 2HG GLU 403 10.796 9.391 4.866 102 HG3 GLU 403 1HG GLU 403 9.943 10.923 5.020 103 H ASP 404 H ASP 404 9.301 12.716 8.971 104 HA ASP 404 HA ASP 404 10.668 12.101 11.417 105 HB2 ASP 404 2HB ASP 404 8.323 12.896 12.357 106 HB3 ASP 404 1HB ASP 404 9.489 14.054 11.745 107 H ASP 405 H ASP 405 10.894 10.015 11.597 108 HA ASP 405 HA ASP 405 8.982 8.063 10.879 109 HB2 ASP 405 2HB ASP 405 11.396 7.737 12.664 110 HB3 ASP 405 1HB ASP 405 10.538 6.457 11.815 111 H GLU 406 H GLU 406 8.354 10.098 13.183 112 HA GLU 406 HA GLU 406 7.355 8.017 14.993 113 HB2 GLU 406 2HB GLU 406 8.062 9.128 16.823 114 HB3 GLU 406 1HB GLU 406 9.165 9.911 15.708 115 HG2 GLU 406 2HG GLU 406 6.475 11.066 16.320 116 HG3 GLU 406 1HG GLU 406 7.868 11.360 17.358 117 H ASP 407 H ASP 407 5.391 8.687 16.199 118 HA ASP 407 HA ASP 407 3.265 9.287 16.274 119 HB2 ASP 407 2HB ASP 407 4.265 11.561 16.407 120 HB3 ASP 407 1HB ASP 407 3.987 11.713 14.674 121 H PHE 408 H PHE 408 3.199 7.353 14.786 122 HA PHE 408 HA PHE 408 1.650 8.147 12.412 123 HB2 PHE 408 2HB PHE 408 3.369 5.674 12.844 124 HB3 PHE 408 1HB PHE 408 2.184 5.805 11.564 125 HD1 PHE 408 1HD PHE 408 5.049 7.794 12.904 126 HD2 PHE 408 2HD PHE 408 2.967 6.321 9.505 127 HE1 PHE 408 1HE PHE 408 6.730 8.818 11.432 128 HE2 PHE 408 2HE PHE 408 4.640 7.344 8.029 129 HZ PHE 408 HZ PHE 408 6.519 8.599 8.992 130 H VAL 409 H VAL 409 -0.357 7.624 12.501 131 HA VAL 409 HA VAL 409 -1.307 6.235 14.837 132 HB VAL 409 HB VAL 409 -3.556 6.988 13.887 133 HG11 VAL 409 1HG1 VAL 409 -1.383 8.988 14.330 134 HG12 VAL 409 2HG1 VAL 409 -2.168 8.059 15.609 135 HG13 VAL 409 3HG1 VAL 409 -3.101 9.216 14.652 136 HG21 VAL 409 1HG2 VAL 409 -2.936 7.298 11.574 137 HG22 VAL 409 2HG2 VAL 409 -1.731 8.493 12.053 138 HG23 VAL 409 3HG2 VAL 409 -3.448 8.822 12.296 139 H GLU 410 H GLU 410 -1.722 4.212 14.891 140 HA GLU 410 HA GLU 410 -1.123 2.530 12.800 141 HB2 GLU 410 2HB GLU 410 -1.296 1.976 15.285 142 HB3 GLU 410 1HB GLU 410 -3.014 1.727 14.994 143 HG2 GLU 410 2HG GLU 410 -2.549 -0.345 14.367 144 HG3 GLU 410 1HG GLU 410 -1.699 0.322 12.973 145 H VAL 411 H VAL 411 -2.118 1.904 11.118 146 HA VAL 411 HA VAL 411 -4.897 2.640 10.675 147 HB VAL 411 HB VAL 411 -2.960 1.593 8.591 148 HG11 VAL 411 1HG1 VAL 411 -5.379 1.619 8.073 149 HG12 VAL 411 2HG1 VAL 411 -4.463 2.747 7.073 150 HG13 VAL 411 3HG1 VAL 411 -5.417 3.344 8.432 151 HG21 VAL 411 1HG2 VAL 411 -2.532 3.899 8.020 152 HG22 VAL 411 2HG2 VAL 411 -1.923 3.460 9.617 153 HG23 VAL 411 3HG2 VAL 411 -3.403 4.409 9.465 154 HA PRO 412 HA PRO 412 -5.750 -1.736 11.247 155 HB2 PRO 412 2HB PRO 412 -8.345 -1.470 11.692 156 HB3 PRO 412 1HB PRO 412 -7.194 -0.797 12.859 157 HG2 PRO 412 2HG PRO 412 -8.665 0.608 10.641 158 HG3 PRO 412 1HG PRO 412 -8.512 1.088 12.342 159 HD2 PRO 412 2HD PRO 412 -6.933 2.075 10.348 160 HD3 PRO 412 1HD PRO 412 -6.403 1.936 12.038 161 H GLU 413 H GLU 413 -7.379 -3.244 10.227 162 HA GLU 413 HA GLU 413 -7.560 -2.722 7.382 163 HB2 GLU 413 2HB GLU 413 -8.469 -5.133 8.972 164 HB3 GLU 413 1HB GLU 413 -8.331 -5.037 7.223 165 HG2 GLU 413 2HG GLU 413 -5.986 -5.000 7.303 166 HG3 GLU 413 1HG GLU 413 -5.971 -4.655 9.035 167 H LYS 414 H LYS 414 -9.635 -2.953 6.220 168 HA LYS 414 HA LYS 414 -11.894 -2.207 7.948 169 HB2 LYS 414 2HB LYS 414 -10.945 -1.071 5.406 170 HB3 LYS 414 1HB LYS 414 -12.689 -1.196 5.611 171 HG2 LYS 414 2HG LYS 414 -12.745 0.486 7.069 172 HG3 LYS 414 1HG LYS 414 -11.346 -0.124 7.957 173 HD2 LYS 414 2HD LYS 414 -10.740 1.993 7.047 174 HD3 LYS 414 1HD LYS 414 -9.907 0.751 6.109 175 HE2 LYS 414 2HE LYS 414 -11.912 0.879 4.528 176 HE3 LYS 414 1HE LYS 414 -12.286 2.400 5.338 177 HZ1 LYS 414 1HZ LYS 414 -10.079 1.730 3.550 178 HZ2 LYS 414 2HZ LYS 414 -9.747 2.817 4.807 179 HZ3 LYS 414 3HZ LYS 414 -10.960 3.177 3.681 180 H GLU 415 H GLU 415 -10.940 -4.019 5.098 181 HA GLU 415 HA GLU 415 -11.859 -5.774 4.011 182 HB2 GLU 415 2HB GLU 415 -12.842 -6.031 6.748 183 HB3 GLU 415 1HB GLU 415 -13.928 -6.759 5.575 184 HG2 GLU 415 2HG GLU 415 -12.644 -8.551 5.570 185 HG3 GLU 415 1HG GLU 415 -11.354 -7.588 4.854 186 H GLY 416 H GLY 416 -14.820 -4.864 5.708 187 HA2 GLY 416 2HA GLY 416 -16.245 -4.818 3.172 188 HA3 GLY 416 1HA GLY 416 -16.961 -4.733 4.774 189 H TYR 417 H TYR 417 -14.829 -2.840 2.669 190 HA TYR 417 HA TYR 417 -16.441 -0.476 3.318 191 HB2 TYR 417 2HB TYR 417 -14.593 -0.054 4.663 192 HB3 TYR 417 1HB TYR 417 -13.479 -0.841 3.557 193 HD1 TYR 417 1HD TYR 417 -12.613 0.359 1.605 194 HD2 TYR 417 2HD TYR 417 -15.167 2.278 4.413 195 HE1 TYR 417 1HE TYR 417 -11.903 2.536 0.739 196 HE2 TYR 417 2HE TYR 417 -14.468 4.469 3.548 197 HH TYR 417 HH TYR 417 -12.031 5.206 2.162 198 H GLU 418 H GLU 418 -16.891 0.815 1.640 199 HA GLU 418 HA GLU 418 -15.564 0.272 -0.926 200 HB2 GLU 418 2HB GLU 418 -18.158 -0.400 -0.381 201 HB3 GLU 418 1HB GLU 418 -18.355 1.220 -1.034 202 HG2 GLU 418 2HG GLU 418 -16.547 -0.365 -2.637 203 HG3 GLU 418 1HG GLU 418 -18.121 -1.136 -2.462 204 HA PRO 419 HA PRO 419 -14.845 4.666 -0.661 205 HB2 PRO 419 2HB PRO 419 -13.968 4.527 -3.442 206 HB3 PRO 419 1HB PRO 419 -13.011 4.829 -1.989 207 HG2 PRO 419 2HG PRO 419 -12.792 2.546 -3.426 208 HG3 PRO 419 1HG PRO 419 -12.547 2.599 -1.670 209 HD2 PRO 419 2HD PRO 419 -14.963 1.723 -3.220 210 HD3 PRO 419 1HD PRO 419 -14.204 0.971 -1.799 211 H HIS 420 H HIS 420 -17.462 4.218 -0.972 212 HA HIS 420 HA HIS 420 -18.242 5.870 -3.288 213 HB2 HIS 420 2HB HIS 420 -19.196 3.291 -2.490 214 HB3 HIS 420 1HB HIS 420 -20.497 4.465 -2.313 215 HD1 HIS 420 1HD HIS 420 -18.361 2.797 -4.916 216 HD2 HIS 420 2HD HIS 420 -21.479 5.555 -4.642 217 HE1 HIS 420 1HE HIS 420 -19.187 3.183 -7.283 218 H ILE 421 H ILE 421 -20.703 6.471 -2.749 219 HA ILE 421 HA ILE 421 -20.723 7.684 -0.116 220 HB ILE 421 HB ILE 421 -20.266 9.664 -1.012 221 HG12 ILE 421 2HG1 ILE 421 -22.216 10.782 -2.253 222 HG13 ILE 421 1HG1 ILE 421 -23.081 9.275 -1.964 223 HG21 ILE 421 1HG2 ILE 421 -20.277 10.190 -3.392 224 HG22 ILE 421 2HG2 ILE 421 -21.079 8.657 -3.731 225 HG23 ILE 421 3HG2 ILE 421 -19.444 8.669 -3.068 226 HD11 ILE 421 1HD1 ILE 421 -22.860 9.546 0.408 227 HD12 ILE 421 2HD1 ILE 421 -23.546 11.018 -0.282 228 HD13 ILE 421 3HD1 ILE 421 -21.846 10.971 0.189 229 HA PRO 422 HA PRO 422 -25.267 7.153 -1.473 230 HB2 PRO 422 2HB PRO 422 -25.909 5.886 -3.730 231 HB3 PRO 422 1HB PRO 422 -25.478 7.603 -3.723 232 HG2 PRO 422 2HG PRO 422 -23.772 5.229 -4.365 233 HG3 PRO 422 1HG PRO 422 -23.950 6.748 -5.265 234 HD2 PRO 422 2HD PRO 422 -21.878 6.289 -3.561 235 HD3 PRO 422 1HD PRO 422 -22.556 7.908 -3.822 236 H ASP 423 H ASP 423 -22.917 4.696 -1.792 237 HA ASP 423 HA ASP 423 -22.750 2.581 -1.017 238 HB2 ASP 423 2HB ASP 423 -23.498 3.181 1.093 239 HB3 ASP 423 1HB ASP 423 -25.104 3.606 0.522 240 H HIS 424 H HIS 424 -26.274 2.496 -1.043 241 HA HIS 424 HA HIS 424 -26.290 0.104 -2.626 242 HB2 HIS 424 2HB HIS 424 -28.819 0.394 -2.382 243 HB3 HIS 424 1HB HIS 424 -27.908 0.213 -0.884 244 HD1 HIS 424 1HD HIS 424 -27.348 2.581 0.370 245 HD2 HIS 424 2HD HIS 424 -30.377 2.608 -2.488 246 HE1 HIS 424 1HE HIS 424 -28.507 4.825 0.567 247 H LEU 425 H LEU 425 -27.212 3.469 -3.124 248 HA LEU 425 HA LEU 425 -28.201 2.945 -5.794 249 HB2 LEU 425 2HB LEU 425 -28.604 4.938 -3.880 250 HB3 LEU 425 1HB LEU 425 -27.729 5.737 -5.172 251 HG LEU 425 HG LEU 425 -29.448 4.998 -6.781 252 HD11 LEU 425 1HD1 LEU 425 -30.821 3.915 -4.325 253 HD12 LEU 425 2HD1 LEU 425 -30.203 2.980 -5.687 254 HD13 LEU 425 3HD1 LEU 425 -31.563 4.077 -5.916 255 HD21 LEU 425 1HD2 LEU 425 -31.230 6.486 -5.994 256 HD22 LEU 425 2HD2 LEU 425 -29.633 7.190 -5.747 257 HD23 LEU 425 3HD2 LEU 425 -30.508 6.491 -4.386 258 H ARG 426 H ARG 426 -25.887 1.965 -6.048 259 HA ARG 426 HA ARG 426 -24.185 4.037 -7.271 260 HB2 ARG 426 2HB ARG 426 -22.229 2.939 -6.503 261 HB3 ARG 426 1HB ARG 426 -23.299 3.023 -5.110 262 HG2 ARG 426 2HG ARG 426 -23.543 0.786 -4.992 263 HG3 ARG 426 1HG ARG 426 -23.511 0.580 -6.744 264 HD2 ARG 426 2HD ARG 426 -20.969 1.381 -6.286 265 HD3 ARG 426 1HD ARG 426 -21.314 0.519 -4.787 266 HE ARG 426 HE ARG 426 -21.889 -0.818 -7.330 267 HH11 ARG 426 1HH1 ARG 426 -19.863 -0.494 -4.491 268 HH12 ARG 426 2HH1 ARG 426 -19.111 -2.048 -4.702 269 HH21 ARG 426 1HH2 ARG 426 -20.908 -2.886 -7.608 270 HH22 ARG 426 2HH2 ARG 426 -19.710 -3.403 -6.459 271 HA PRO 427 HA PRO 427 -24.236 1.389 -10.843 272 HB2 PRO 427 2HB PRO 427 -22.003 2.165 -12.112 273 HB3 PRO 427 1HB PRO 427 -23.373 3.265 -11.922 274 HG2 PRO 427 2HG PRO 427 -20.815 3.140 -10.381 275 HG3 PRO 427 1HG PRO 427 -21.713 4.558 -10.951 276 HD2 PRO 427 2HD PRO 427 -21.820 3.570 -8.377 277 HD3 PRO 427 1HD PRO 427 -23.084 4.564 -9.127 278 H GLU 428 H GLU 428 -21.915 0.371 -12.157 279 HA GLU 428 HA GLU 428 -20.947 -1.497 -10.093 280 HB2 GLU 428 2HB GLU 428 -22.199 -1.983 -12.618 281 HB3 GLU 428 1HB GLU 428 -20.548 -2.590 -12.683 282 HG2 GLU 428 2HG GLU 428 -22.799 -3.425 -10.913 283 HG3 GLU 428 1HG GLU 428 -21.725 -4.412 -11.905 284 H TYR 429 H TYR 429 -18.875 -2.680 -11.233 285 HA TYR 429 HA TYR 429 -16.982 -0.476 -11.559 286 HB2 TYR 429 2HB TYR 429 -16.545 -3.423 -11.032 287 HB3 TYR 429 1HB TYR 429 -15.251 -2.241 -11.202 288 HD1 TYR 429 1HD TYR 429 -17.294 -3.928 -8.910 289 HD2 TYR 429 2HD TYR 429 -15.474 -0.142 -9.595 290 HE1 TYR 429 1HE TYR 429 -17.456 -3.422 -6.513 291 HE2 TYR 429 2HE TYR 429 -15.632 0.372 -7.197 292 HH TYR 429 HH TYR 429 -16.860 -0.278 -5.240 293 H GLY 430 H GLY 430 -18.784 -1.243 -13.709 294 HA2 GLY 430 2HA GLY 430 -16.974 -2.490 -15.653 295 HA3 GLY 430 1HA GLY 430 -18.698 -2.217 -15.872 296 H LEU 431 H LEU 431 -17.711 0.517 -14.534 297 HA LEU 431 HA LEU 431 -17.202 2.619 -15.205 298 HB2 LEU 431 2HB LEU 431 -15.871 1.244 -17.542 299 HB3 LEU 431 1HB LEU 431 -15.727 2.950 -17.166 300 HG LEU 431 HG LEU 431 -14.802 0.716 -15.355 301 HD11 LEU 431 1HD1 LEU 431 -13.199 2.514 -17.169 302 HD12 LEU 431 2HD1 LEU 431 -13.501 0.796 -17.425 303 HD13 LEU 431 3HD1 LEU 431 -12.549 1.325 -16.040 304 HD21 LEU 431 1HD2 LEU 431 -14.364 3.699 -15.241 305 HD22 LEU 431 2HD2 LEU 431 -13.644 2.509 -14.156 306 HD23 LEU 431 3HD2 LEU 431 -15.391 2.756 -14.159 307 H GLU 432 H GLU 432 -19.704 1.697 -15.688 308 HA GLU 432 HA GLU 432 -20.635 2.014 -18.327 309 HB2 GLU 432 2HB GLU 432 -22.255 2.620 -15.857 310 HB3 GLU 432 1HB GLU 432 -22.830 2.037 -17.410 311 HG2 GLU 432 2HG GLU 432 -22.923 0.103 -16.237 312 HG3 GLU 432 1HG GLU 432 -21.262 -0.007 -16.819 313 H ALA 433 H ALA 433 -19.980 3.831 -19.354 314 HA ALA 433 HA ALA 433 -20.919 6.393 -18.243 315 HB1 ALA 433 1HB ALA 433 -18.465 6.231 -18.152 316 HB2 ALA 433 2HB ALA 433 -19.007 7.502 -19.248 317 HB3 ALA 433 3HB ALA 433 -18.430 5.966 -19.896 318 H ALA 434 H ALA 434 -21.780 4.235 -20.315 319 HA ALA 434 HA ALA 434 -23.035 6.049 -22.128 320 HB1 ALA 434 1HB ALA 434 -20.848 5.864 -23.224 321 HB2 ALA 434 2HB ALA 434 -22.111 5.098 -24.188 322 HB3 ALA 434 3HB ALA 434 -21.003 4.107 -23.239 323 H MET 1 2HT MET 1 9.410 -9.888 -18.944 324 HA MET 1 HA MET 1 11.333 -8.471 -19.671 325 HB2 MET 1 2HB MET 1 8.783 -7.311 -18.542 326 HB3 MET 1 1HB MET 1 9.942 -6.323 -19.421 327 HG2 MET 1 2HG MET 1 8.131 -7.049 -20.864 328 HG3 MET 1 1HG MET 1 9.669 -7.730 -21.388 329 HE1 MET 1 1HE MET 1 8.194 -9.493 -22.922 330 HE2 MET 1 2HE MET 1 6.753 -8.697 -22.290 331 HE3 MET 1 3HE MET 1 6.890 -10.454 -22.228 332 H ALA 2 H ALA 2 11.495 -5.821 -18.752 333 HA ALA 2 HA ALA 2 13.429 -6.106 -16.682 334 HB1 ALA 2 1HB ALA 2 13.638 -4.384 -18.405 335 HB2 ALA 2 2HB ALA 2 13.615 -3.667 -16.795 336 HB3 ALA 2 3HB ALA 2 12.175 -3.601 -17.810 337 H THR 3 H THR 3 10.586 -3.966 -16.678 338 HA THR 3 HA THR 3 10.377 -4.143 -13.813 339 HB THR 3 HB THR 3 8.167 -2.882 -15.286 340 HG1 THR 3 1HG THR 3 10.802 -1.779 -15.505 341 HG21 THR 3 1HG2 THR 3 10.130 -1.892 -13.210 342 HG22 THR 3 2HG2 THR 3 8.515 -2.528 -12.898 343 HG23 THR 3 3HG2 THR 3 8.710 -1.011 -13.775 344 H SER 4 H SER 4 10.029 -6.566 -14.017 345 HA SER 4 HA SER 4 7.381 -7.370 -14.883 346 HB2 SER 4 2HB SER 4 9.540 -9.034 -13.565 347 HB3 SER 4 1HB SER 4 8.110 -9.636 -14.404 348 HG SER 4 HG SER 4 10.464 -8.525 -15.434 349 H SER 5 H SER 5 5.734 -6.980 -13.596 350 HA SER 5 HA SER 5 5.665 -7.989 -10.912 351 HB2 SER 5 2HB SER 5 5.637 -5.013 -11.441 352 HB3 SER 5 1HB SER 5 4.906 -5.712 -9.996 353 HG SER 5 HG SER 5 7.495 -6.532 -10.593 354 H GLU 6 H GLU 6 3.368 -7.113 -9.944 355 HA GLU 6 HA GLU 6 1.450 -7.956 -11.945 356 HB2 GLU 6 2HB GLU 6 -0.144 -8.033 -10.121 357 HB3 GLU 6 1HB GLU 6 1.345 -8.827 -9.629 358 HG2 GLU 6 2HG GLU 6 1.092 -5.961 -8.973 359 HG3 GLU 6 1HG GLU 6 0.039 -7.073 -8.103 360 H GLU 7 H GLU 7 -0.780 -6.686 -11.682 361 HA GLU 7 HA GLU 7 -0.399 -4.200 -12.920 362 HB2 GLU 7 2HB GLU 7 -2.418 -5.693 -13.129 363 HB3 GLU 7 1HB GLU 7 -2.919 -5.133 -11.541 364 HG2 GLU 7 2HG GLU 7 -4.018 -3.985 -13.461 365 HG3 GLU 7 1HG GLU 7 -3.209 -2.911 -12.319 366 H VAL 8 H VAL 8 -0.659 -2.114 -12.228 367 HA VAL 8 HA VAL 8 -0.149 -1.701 -9.376 368 HB VAL 8 HB VAL 8 -0.168 0.437 -11.502 369 HG11 VAL 8 1HG1 VAL 8 -0.167 1.200 -9.192 370 HG12 VAL 8 2HG1 VAL 8 1.375 1.560 -9.968 371 HG13 VAL 8 3HG1 VAL 8 1.246 0.203 -8.849 372 HG21 VAL 8 1HG2 VAL 8 2.283 0.097 -11.680 373 HG22 VAL 8 2HG2 VAL 8 1.343 -1.255 -12.311 374 HG23 VAL 8 3HG2 VAL 8 2.114 -1.379 -10.729 375 H LEU 9 H LEU 9 -1.902 -1.543 -8.166 376 HA LEU 9 HA LEU 9 -4.424 -0.661 -9.213 377 HB2 LEU 9 2HB LEU 9 -3.641 -1.245 -6.359 378 HB3 LEU 9 1HB LEU 9 -5.275 -1.069 -6.966 379 HG LEU 9 HG LEU 9 -3.341 -3.295 -7.598 380 HD11 LEU 9 1HD1 LEU 9 -4.384 -3.505 -5.431 381 HD12 LEU 9 2HD1 LEU 9 -5.079 -4.686 -6.543 382 HD13 LEU 9 3HD1 LEU 9 -5.976 -3.222 -6.139 383 HD21 LEU 9 1HD2 LEU 9 -4.582 -2.757 -9.606 384 HD22 LEU 9 2HD2 LEU 9 -6.099 -2.780 -8.705 385 HD23 LEU 9 3HD2 LEU 9 -5.177 -4.270 -8.916 386 H LEU 10 H LEU 10 -1.886 0.729 -7.196 387 HA LEU 10 HA LEU 10 -3.302 3.306 -7.417 388 HB2 LEU 10 2HB LEU 10 -3.595 2.128 -5.167 389 HB3 LEU 10 1HB LEU 10 -1.903 2.500 -4.885 390 HG LEU 10 HG LEU 10 -2.526 4.938 -5.324 391 HD11 LEU 10 1HD1 LEU 10 -5.292 3.836 -4.863 392 HD12 LEU 10 2HD1 LEU 10 -4.698 4.564 -6.356 393 HD13 LEU 10 3HD1 LEU 10 -4.851 5.544 -4.898 394 HD21 LEU 10 1HD2 LEU 10 -3.267 5.258 -3.033 395 HD22 LEU 10 2HD2 LEU 10 -2.013 4.019 -3.114 396 HD23 LEU 10 3HD2 LEU 10 -3.704 3.553 -2.922 397 H ILE 11 H ILE 11 -2.042 5.051 -7.792 398 HA ILE 11 HA ILE 11 0.874 4.655 -7.745 399 HB ILE 11 HB ILE 11 -0.712 6.114 -9.869 400 HG12 ILE 11 2HG1 ILE 11 0.991 3.618 -10.046 401 HG13 ILE 11 1HG1 ILE 11 -0.769 3.646 -10.050 402 HG21 ILE 11 1HG2 ILE 11 1.433 7.214 -9.308 403 HG22 ILE 11 2HG2 ILE 11 1.395 6.573 -10.950 404 HG23 ILE 11 3HG2 ILE 11 2.272 5.708 -9.687 405 HD11 ILE 11 1HD1 ILE 11 1.014 4.889 -12.131 406 HD12 ILE 11 2HD1 ILE 11 -0.750 4.893 -12.140 407 HD13 ILE 11 3HD1 ILE 11 0.130 3.371 -12.291 408 H VAL 12 H VAL 12 1.687 5.937 -6.250 409 HA VAL 12 HA VAL 12 0.582 8.665 -5.913 410 HB VAL 12 HB VAL 12 2.060 6.973 -3.885 411 HG11 VAL 12 1HG1 VAL 12 1.570 8.776 -2.322 412 HG12 VAL 12 2HG1 VAL 12 0.798 9.699 -3.612 413 HG13 VAL 12 3HG1 VAL 12 2.529 9.370 -3.677 414 HG21 VAL 12 1HG2 VAL 12 -0.842 7.773 -4.082 415 HG22 VAL 12 2HG2 VAL 12 -0.105 7.012 -2.672 416 HG23 VAL 12 3HG2 VAL 12 -0.181 6.143 -4.205 417 H LYS 13 H LYS 13 1.920 10.247 -6.546 418 HA LYS 13 HA LYS 13 4.690 9.543 -7.153 419 HB2 LYS 13 2HB LYS 13 2.832 11.691 -8.075 420 HB3 LYS 13 1HB LYS 13 4.564 11.987 -8.146 421 HG2 LYS 13 2HG LYS 13 3.055 9.757 -9.495 422 HG3 LYS 13 1HG LYS 13 3.824 11.146 -10.268 423 HD2 LYS 13 2HD LYS 13 6.010 10.358 -9.421 424 HD3 LYS 13 1HD LYS 13 5.211 8.936 -8.752 425 HE2 LYS 13 2HE LYS 13 4.531 8.246 -10.986 426 HE3 LYS 13 1HE LYS 13 5.268 9.695 -11.672 427 HZ1 LYS 13 1HZ LYS 13 6.586 7.329 -10.496 428 HZ2 LYS 13 2HZ LYS 13 7.396 8.825 -10.535 429 HZ3 LYS 13 3HZ LYS 13 6.886 8.095 -11.976 430 H LYS 14 H LYS 14 6.341 11.274 -6.726 431 HA LYS 14 HA LYS 14 7.639 12.289 -5.189 432 HB2 LYS 14 2HB LYS 14 5.045 13.666 -5.164 433 HB3 LYS 14 1HB LYS 14 6.133 14.059 -3.836 434 HG2 LYS 14 2HG LYS 14 6.906 14.211 -6.742 435 HG3 LYS 14 1HG LYS 14 6.257 15.576 -5.827 436 HD2 LYS 14 2HD LYS 14 8.276 14.598 -4.209 437 HD3 LYS 14 1HD LYS 14 8.936 14.443 -5.838 438 HE2 LYS 14 2HE LYS 14 9.528 16.599 -4.924 439 HE3 LYS 14 1HE LYS 14 8.392 16.812 -6.254 440 HZ1 LYS 14 1HZ LYS 14 6.693 17.404 -4.820 441 HZ2 LYS 14 2HZ LYS 14 8.027 18.123 -4.076 442 HZ3 LYS 14 3HZ LYS 14 7.408 16.668 -3.478 443 H VAL 15 H VAL 15 7.789 10.194 -4.108 444 HA VAL 15 HA VAL 15 6.779 10.396 -1.347 445 HB VAL 15 HB VAL 15 7.096 7.827 -2.922 446 HG11 VAL 15 1HG1 VAL 15 6.107 6.752 -0.942 447 HG12 VAL 15 2HG1 VAL 15 6.139 8.299 -0.098 448 HG13 VAL 15 3HG1 VAL 15 7.650 7.523 -0.575 449 HG21 VAL 15 1HG2 VAL 15 4.683 7.633 -2.789 450 HG22 VAL 15 2HG2 VAL 15 5.125 9.143 -3.587 451 HG23 VAL 15 3HG2 VAL 15 4.587 9.158 -1.908 452 H ARG 16 H ARG 16 8.426 10.631 0.005 453 HA ARG 16 HA ARG 16 11.086 9.759 -0.868 454 HB2 ARG 16 2HB ARG 16 10.212 11.741 1.238 455 HB3 ARG 16 1HB ARG 16 11.881 11.237 1.016 456 HG2 ARG 16 2HG ARG 16 11.918 12.141 -1.207 457 HG3 ARG 16 1HG ARG 16 10.197 12.517 -1.119 458 HD2 ARG 16 2HD ARG 16 11.363 14.547 -0.745 459 HD3 ARG 16 1HD ARG 16 10.727 14.030 0.815 460 HE ARG 16 HE ARG 16 12.863 13.962 1.579 461 HH11 ARG 16 1HH1 ARG 16 12.977 13.760 -1.925 462 HH12 ARG 16 2HH1 ARG 16 14.715 13.712 -1.972 463 HH21 ARG 16 1HH2 ARG 16 15.141 13.954 1.486 464 HH22 ARG 16 2HH2 ARG 16 15.948 13.790 -0.050 465 H GLN 17 H GLN 17 12.158 8.216 0.100 466 HA GLN 17 HA GLN 17 11.097 7.081 2.607 467 HB2 GLN 17 2HB GLN 17 11.103 5.777 0.297 468 HB3 GLN 17 1HB GLN 17 12.793 5.520 0.690 469 HG2 GLN 17 2HG GLN 17 10.458 4.703 2.402 470 HG3 GLN 17 1HG GLN 17 11.382 3.639 1.345 471 HE21 GLN 17 1HE2 GLN 17 11.203 5.173 4.374 472 HE22 GLN 17 2HE2 GLN 17 12.681 4.558 5.032 473 H LYS 18 H LYS 18 12.401 7.974 4.136 474 HA LYS 18 HA LYS 18 14.231 8.706 5.248 475 HB2 LYS 18 2HB LYS 18 14.750 5.962 4.336 476 HB3 LYS 18 1HB LYS 18 16.130 6.826 5.006 477 HG2 LYS 18 2HG LYS 18 13.485 6.338 6.369 478 HG3 LYS 18 1HG LYS 18 15.001 5.507 6.709 479 HD2 LYS 18 2HD LYS 18 15.134 7.064 8.355 480 HD3 LYS 18 1HD LYS 18 15.803 8.048 7.052 481 HE2 LYS 18 2HE LYS 18 13.765 9.175 6.716 482 HE3 LYS 18 1HE LYS 18 12.860 7.987 7.649 483 HZ1 LYS 18 1HZ LYS 18 14.062 8.757 9.640 484 HZ2 LYS 18 2HZ LYS 18 13.116 9.965 8.934 485 HZ3 LYS 18 3HZ LYS 18 14.796 9.983 8.711 486 H LYS 19 H LYS 19 14.403 10.433 3.550 487 HA LYS 19 HA LYS 19 15.672 11.849 2.329 488 HB2 LYS 19 2HB LYS 19 17.588 10.121 3.724 489 HB3 LYS 19 1HB LYS 19 18.249 11.083 2.405 490 HG2 LYS 19 2HG LYS 19 16.642 12.230 4.676 491 HG3 LYS 19 1HG LYS 19 18.403 12.099 4.695 492 HD2 LYS 19 2HD LYS 19 18.520 13.480 2.675 493 HD3 LYS 19 1HD LYS 19 16.761 13.613 2.668 494 HE2 LYS 19 2HE LYS 19 18.706 14.734 4.669 495 HE3 LYS 19 1HE LYS 19 17.563 15.607 3.649 496 HZ1 LYS 19 1HZ LYS 19 16.832 13.772 5.877 497 HZ2 LYS 19 2HZ LYS 19 15.749 14.644 4.895 498 HZ3 LYS 19 3HZ LYS 19 16.800 15.469 5.929 499 H GLN 20 H GLN 20 14.420 9.780 0.899 500 HA GLN 20 HA GLN 20 16.106 9.764 -1.483 501 HB2 GLN 20 2HB GLN 20 14.933 7.293 -0.195 502 HB3 GLN 20 1HB GLN 20 15.356 7.346 -1.899 503 HG2 GLN 20 2HG GLN 20 17.626 7.489 -1.463 504 HG3 GLN 20 1HG GLN 20 17.375 8.048 0.189 505 HE21 GLN 20 1HE2 GLN 20 15.362 6.057 0.786 506 HE22 GLN 20 2HE2 GLN 20 16.196 4.550 0.951 507 H ASP 21 H ASP 21 14.840 10.680 -3.026 508 HA ASP 21 HA ASP 21 11.967 10.698 -2.647 509 HB2 ASP 21 2HB ASP 21 13.705 12.525 -3.737 510 HB3 ASP 21 1HB ASP 21 12.943 11.828 -5.164 511 H GLY 22 H GLY 22 10.444 10.016 -4.197 512 HA2 GLY 22 2HA GLY 22 11.031 8.613 -6.541 513 HA3 GLY 22 1HA GLY 22 10.950 7.447 -5.229 514 H ALA 23 H ALA 23 9.123 6.431 -5.994 515 HA ALA 23 HA ALA 23 6.641 7.879 -5.474 516 HB1 ALA 23 1HB ALA 23 7.036 8.145 -7.881 517 HB2 ALA 23 2HB ALA 23 5.611 7.160 -7.551 518 HB3 ALA 23 3HB ALA 23 7.118 6.392 -8.052 519 H LEU 24 H LEU 24 4.956 6.598 -4.820 520 HA LEU 24 HA LEU 24 5.707 3.840 -4.141 521 HB2 LEU 24 2HB LEU 24 5.072 5.434 -2.307 522 HB3 LEU 24 1HB LEU 24 3.459 5.486 -2.996 523 HG LEU 24 HG LEU 24 3.489 2.922 -2.717 524 HD11 LEU 24 1HD1 LEU 24 5.896 2.781 -2.223 525 HD12 LEU 24 2HD1 LEU 24 4.888 2.063 -0.967 526 HD13 LEU 24 3HD1 LEU 24 5.611 3.652 -0.715 527 HD21 LEU 24 1HD2 LEU 24 2.039 4.385 -1.440 528 HD22 LEU 24 2HD2 LEU 24 3.362 4.768 -0.338 529 HD23 LEU 24 3HD2 LEU 24 2.706 3.132 -0.392 530 H TYR 25 H TYR 25 4.675 2.181 -5.009 531 HA TYR 25 HA TYR 25 2.220 2.726 -6.544 532 HB2 TYR 25 2HB TYR 25 4.372 0.724 -7.254 533 HB3 TYR 25 1HB TYR 25 2.931 1.093 -8.195 534 HD1 TYR 25 1HD TYR 25 6.342 2.021 -7.467 535 HD2 TYR 25 2HD TYR 25 2.733 3.350 -9.285 536 HE1 TYR 25 1HE TYR 25 7.602 3.731 -8.704 537 HE2 TYR 25 2HE TYR 25 3.983 5.065 -10.527 538 HH TYR 25 HH TYR 25 7.429 5.095 -10.652 539 H LEU 26 H LEU 26 0.532 1.740 -5.650 540 HA LEU 26 HA LEU 26 0.921 -0.550 -3.916 541 HB2 LEU 26 2HB LEU 26 -1.590 0.893 -4.767 542 HB3 LEU 26 1HB LEU 26 -1.571 -0.485 -3.683 543 HG LEU 26 HG LEU 26 -0.750 2.325 -3.187 544 HD11 LEU 26 1HD1 LEU 26 -2.081 0.231 -1.479 545 HD12 LEU 26 2HD1 LEU 26 -2.921 1.447 -2.441 546 HD13 LEU 26 3HD1 LEU 26 -1.900 1.942 -1.091 547 HD21 LEU 26 1HD2 LEU 26 0.572 1.684 -1.256 548 HD22 LEU 26 2HD2 LEU 26 1.296 1.081 -2.747 549 HD23 LEU 26 3HD2 LEU 26 0.402 -0.017 -1.695 550 H MET 27 H MET 27 0.748 -2.600 -4.560 551 HA MET 27 HA MET 27 -0.251 -3.041 -7.292 552 HB2 MET 27 2HB MET 27 1.552 -5.007 -5.982 553 HB3 MET 27 1HB MET 27 1.422 -4.517 -7.669 554 HG2 MET 27 2HG MET 27 2.374 -2.260 -6.821 555 HG3 MET 27 1HG MET 27 2.915 -3.216 -5.444 556 HE1 MET 27 1HE MET 27 4.398 -3.429 -9.756 557 HE2 MET 27 2HE MET 27 3.530 -2.095 -8.995 558 HE3 MET 27 3HE MET 27 2.691 -3.606 -9.345 559 H ALA 28 H ALA 28 -1.186 -5.164 -7.680 560 HA ALA 28 HA ALA 28 -3.408 -5.661 -6.158 561 HB1 ALA 28 1HB ALA 28 -1.962 -7.608 -7.941 562 HB2 ALA 28 2HB ALA 28 -3.151 -6.407 -8.448 563 HB3 ALA 28 3HB ALA 28 -3.637 -7.744 -7.405 564 H GLU 29 H GLU 29 -0.259 -7.329 -5.863 565 HA GLU 29 HA GLU 29 -1.377 -8.702 -3.507 566 HB2 GLU 29 2HB GLU 29 1.026 -9.661 -5.037 567 HB3 GLU 29 1HB GLU 29 0.006 -10.562 -3.926 568 HG2 GLU 29 2HG GLU 29 -0.808 -9.589 -6.657 569 HG3 GLU 29 1HG GLU 29 -0.335 -11.236 -6.249 570 H ARG 30 H ARG 30 0.603 -6.155 -4.224 571 HA ARG 30 HA ARG 30 1.914 -6.340 -1.664 572 HB2 ARG 30 2HB ARG 30 4.205 -6.325 -2.477 573 HB3 ARG 30 1HB ARG 30 3.369 -7.768 -3.037 574 HG2 ARG 30 2HG ARG 30 2.922 -6.374 -5.181 575 HG3 ARG 30 1HG ARG 30 4.251 -5.373 -4.592 576 HD2 ARG 30 2HD ARG 30 4.903 -8.180 -4.426 577 HD3 ARG 30 1HD ARG 30 4.438 -7.730 -6.067 578 HE ARG 30 HE ARG 30 6.699 -6.647 -4.543 579 HH11 ARG 30 1HH1 ARG 30 4.886 -6.885 -7.533 580 HH12 ARG 30 2HH1 ARG 30 6.162 -6.190 -8.497 581 HH21 ARG 30 1HH2 ARG 30 8.366 -5.741 -5.803 582 HH22 ARG 30 2HH2 ARG 30 8.134 -5.542 -7.512 583 H ILE 31 H ILE 31 3.656 -4.548 -1.513 584 HA ILE 31 HA ILE 31 2.758 -2.146 -2.954 585 HB ILE 31 HB ILE 31 1.828 -1.841 -0.791 586 HG12 ILE 31 2HG1 ILE 31 4.517 -0.453 -0.734 587 HG13 ILE 31 1HG1 ILE 31 3.120 0.096 -1.653 588 HG21 ILE 31 1HG2 ILE 31 4.456 -2.793 0.331 589 HG22 ILE 31 2HG2 ILE 31 2.903 -3.627 0.399 590 HG23 ILE 31 3HG2 ILE 31 3.137 -2.124 1.293 591 HD11 ILE 31 1HD1 ILE 31 3.373 1.350 0.407 592 HD12 ILE 31 2HD1 ILE 31 3.279 -0.142 1.342 593 HD13 ILE 31 3HD1 ILE 31 1.880 0.413 0.423 594 H ALA 32 H ALA 32 4.402 -1.111 -3.935 595 HA ALA 32 HA ALA 32 7.115 -1.658 -2.955 596 HB1 ALA 32 1HB ALA 32 7.911 -1.884 -5.255 597 HB2 ALA 32 2HB ALA 32 6.254 -1.737 -5.840 598 HB3 ALA 32 3HB ALA 32 6.719 -3.118 -4.848 599 H TRP 33 H TRP 33 8.662 -0.109 -3.390 600 HA TRP 33 HA TRP 33 7.683 2.491 -4.340 601 HB2 TRP 33 2HB TRP 33 7.734 2.604 -1.902 602 HB3 TRP 33 1HB TRP 33 9.377 1.975 -1.881 603 HD1 TRP 33 HD TRP 33 7.413 5.152 -2.783 604 HE1 TRP 33 1HE TRP 33 9.050 7.143 -2.829 605 HE3 TRP 33 3HE TRP 33 11.798 2.617 -2.108 606 HZ2 TRP 33 2HZ TRP 33 11.818 7.573 -2.609 607 HZ3 TRP 33 3HZ TRP 33 13.895 3.899 -2.027 608 HH2 TRP 33 HH TRP 33 13.902 6.325 -2.286 609 H ALA 34 H ALA 34 9.045 3.512 -5.704 610 HA ALA 34 HA ALA 34 11.800 2.529 -5.936 611 HB1 ALA 34 1HB ALA 34 9.926 2.910 -8.272 612 HB2 ALA 34 2HB ALA 34 10.477 1.359 -7.637 613 HB3 ALA 34 3HB ALA 34 11.632 2.472 -8.370 614 HA PRO 35 HA PRO 35 12.701 6.867 -5.947 615 HB2 PRO 35 2HB PRO 35 15.081 6.737 -7.347 616 HB3 PRO 35 1HB PRO 35 14.920 6.448 -5.613 617 HG2 PRO 35 2HG PRO 35 15.101 4.483 -7.855 618 HG3 PRO 35 1HG PRO 35 15.816 4.409 -6.233 619 HD2 PRO 35 2HD PRO 35 13.615 3.002 -6.888 620 HD3 PRO 35 1HD PRO 35 13.848 3.679 -5.263 621 H GLU 36 H GLU 36 12.222 8.515 -7.289 622 HA GLU 36 HA GLU 36 10.838 8.113 -9.630 623 HB2 GLU 36 2HB GLU 36 10.930 10.187 -8.138 624 HB3 GLU 36 1HB GLU 36 12.332 10.663 -9.087 625 HG2 GLU 36 2HG GLU 36 10.145 11.649 -9.813 626 HG3 GLU 36 1HG GLU 36 11.060 10.817 -11.071 627 H GLY 37 H GLY 37 11.234 8.026 -11.725 628 HA2 GLY 37 2HA GLY 37 12.418 8.214 -13.720 629 HA3 GLY 37 1HA GLY 37 13.831 8.726 -12.813 630 H LYS 38 H LYS 38 12.969 6.082 -11.180 631 HA LYS 38 HA LYS 38 14.549 4.324 -12.942 632 HB2 LYS 38 2HB LYS 38 14.441 4.445 -9.926 633 HB3 LYS 38 1HB LYS 38 15.194 3.127 -10.816 634 HG2 LYS 38 2HG LYS 38 17.072 4.302 -10.795 635 HG3 LYS 38 1HG LYS 38 16.299 5.437 -11.902 636 HD2 LYS 38 2HD LYS 38 15.295 6.367 -9.623 637 HD3 LYS 38 1HD LYS 38 16.772 5.648 -8.979 638 HE2 LYS 38 2HE LYS 38 17.280 7.907 -9.489 639 HE3 LYS 38 1HE LYS 38 18.031 6.923 -10.746 640 HZ1 LYS 38 1HZ LYS 38 16.120 7.413 -12.178 641 HZ2 LYS 38 2HZ LYS 38 16.938 8.820 -11.718 642 HZ3 LYS 38 3HZ LYS 38 15.468 8.415 -10.975 643 H ASP 39 H ASP 39 13.889 2.209 -13.244 644 HA ASP 39 HA ASP 39 11.108 1.665 -12.497 645 HB2 ASP 39 2HB ASP 39 10.926 0.376 -14.403 646 HB3 ASP 39 1HB ASP 39 12.172 1.501 -14.928 647 H ARG 40 H ARG 40 13.760 1.329 -10.959 648 HA ARG 40 HA ARG 40 13.524 -1.522 -10.295 649 HB2 ARG 40 2HB ARG 40 15.727 0.388 -9.493 650 HB3 ARG 40 1HB ARG 40 15.730 -1.360 -9.331 651 HG2 ARG 40 2HG ARG 40 15.568 -0.017 -12.008 652 HG3 ARG 40 1HG ARG 40 17.107 -0.344 -11.211 653 HD2 ARG 40 2HD ARG 40 16.944 -2.269 -12.390 654 HD3 ARG 40 1HD ARG 40 16.000 -2.761 -10.985 655 HE ARG 40 HE ARG 40 14.576 -1.562 -13.252 656 HH11 ARG 40 1HH1 ARG 40 15.415 -4.436 -11.419 657 HH12 ARG 40 2HH1 ARG 40 14.146 -5.396 -12.102 658 HH21 ARG 40 1HH2 ARG 40 12.909 -2.804 -14.144 659 HH22 ARG 40 2HH2 ARG 40 12.718 -4.472 -13.664 660 H PHE 41 H PHE 41 12.210 -1.871 -8.642 661 HA PHE 41 HA PHE 41 11.619 0.154 -6.695 662 HB2 PHE 41 2HB PHE 41 10.856 -2.776 -6.657 663 HB3 PHE 41 1HB PHE 41 10.117 -1.485 -5.718 664 HD1 PHE 41 1HD PHE 41 8.782 0.265 -6.893 665 HD2 PHE 41 2HD PHE 41 10.158 -3.253 -8.853 666 HE1 PHE 41 1HE PHE 41 7.120 0.611 -8.675 667 HE2 PHE 41 2HE PHE 41 8.502 -2.911 -10.640 668 HZ PHE 41 HZ PHE 41 6.981 -0.977 -10.551 669 H THR 42 H THR 42 12.812 0.560 -4.963 670 HA THR 42 HA THR 42 14.856 -1.308 -4.119 671 HB THR 42 HB THR 42 15.065 0.651 -2.310 672 HG1 THR 42 1HG THR 42 13.870 2.320 -2.804 673 HG21 THR 42 1HG2 THR 42 16.629 1.781 -3.838 674 HG22 THR 42 2HG2 THR 42 15.946 0.879 -5.192 675 HG23 THR 42 3HG2 THR 42 16.803 0.027 -3.906 676 H ILE 43 H ILE 43 11.699 -0.300 -3.216 677 HA ILE 43 HA ILE 43 11.834 -1.961 -0.785 678 HB ILE 43 HB ILE 43 9.974 0.363 -1.338 679 HG12 ILE 43 2HG1 ILE 43 12.296 1.070 -0.852 680 HG13 ILE 43 1HG1 ILE 43 11.177 1.547 0.419 681 HG21 ILE 43 1HG2 ILE 43 8.920 -1.384 -0.011 682 HG22 ILE 43 2HG2 ILE 43 9.220 0.055 0.965 683 HG23 ILE 43 3HG2 ILE 43 10.271 -1.353 1.123 684 HD11 ILE 43 1HD1 ILE 43 13.276 0.737 1.334 685 HD12 ILE 43 2HD1 ILE 43 13.047 -0.807 0.516 686 HD13 ILE 43 3HD1 ILE 43 11.937 -0.314 1.793 687 H SER 44 H SER 44 10.660 -3.774 -0.906 688 HA SER 44 HA SER 44 8.208 -3.796 -2.484 689 HB2 SER 44 2HB SER 44 9.953 -4.599 -4.022 690 HB3 SER 44 1HB SER 44 10.440 -5.818 -2.847 691 HG SER 44 HG SER 44 8.678 -6.968 -3.267 692 H HIS 45 H HIS 45 6.813 -4.212 -0.880 693 HA HIS 45 HA HIS 45 7.355 -6.556 0.835 694 HB2 HIS 45 2HB HIS 45 5.998 -3.954 1.543 695 HB3 HIS 45 1HB HIS 45 5.863 -5.403 2.529 696 HD1 HIS 45 1HD HIS 45 8.312 -6.319 3.439 697 HD2 HIS 45 2HD HIS 45 8.048 -2.375 2.174 698 HE1 HIS 45 1HE HIS 45 10.267 -5.106 4.484 699 H MET 46 H MET 46 5.870 -8.109 0.844 700 HA MET 46 HA MET 46 3.501 -7.683 -0.796 701 HB2 MET 46 2HB MET 46 4.618 -10.141 0.576 702 HB3 MET 46 1HB MET 46 3.093 -10.130 -0.299 703 HG2 MET 46 2HG MET 46 4.512 -9.233 -2.267 704 HG3 MET 46 1HG MET 46 5.875 -9.867 -1.347 705 HE1 MET 46 1HE MET 46 2.393 -12.411 -2.990 706 HE2 MET 46 2HE MET 46 2.628 -10.703 -3.362 707 HE3 MET 46 3HE MET 46 2.183 -11.196 -1.728 708 H TYR 47 H TYR 47 1.385 -7.987 0.066 709 HA TYR 47 HA TYR 47 1.035 -6.797 2.596 710 HB2 TYR 47 2HB TYR 47 -0.983 -8.406 1.019 711 HB3 TYR 47 1HB TYR 47 -1.348 -7.318 2.355 712 HD1 TYR 47 1HD TYR 47 0.250 -4.969 1.812 713 HD2 TYR 47 2HD TYR 47 -1.856 -7.464 -0.913 714 HE1 TYR 47 1HE TYR 47 0.080 -3.093 0.235 715 HE2 TYR 47 2HE TYR 47 -2.033 -5.594 -2.496 716 HH TYR 47 HH TYR 47 -1.222 -3.536 -3.003 717 H ALA 48 H ALA 48 1.635 -10.027 1.696 718 HA ALA 48 HA ALA 48 0.493 -11.300 3.987 719 HB1 ALA 48 1HB ALA 48 0.795 -12.509 1.897 720 HB2 ALA 48 2HB ALA 48 1.690 -13.287 3.203 721 HB3 ALA 48 3HB ALA 48 2.542 -12.302 2.015 722 H ASP 49 H ASP 49 3.345 -9.499 3.454 723 HA ASP 49 HA ASP 49 4.725 -10.761 5.717 724 HB2 ASP 49 2HB ASP 49 5.918 -8.428 4.285 725 HB3 ASP 49 1HB ASP 49 6.708 -9.841 4.967 726 H ILE 50 H ILE 50 2.602 -8.282 5.074 727 HA ILE 50 HA ILE 50 3.659 -6.459 7.089 728 HB ILE 50 HB ILE 50 1.174 -6.242 5.375 729 HG12 ILE 50 2HG1 ILE 50 3.792 -4.759 5.087 730 HG13 ILE 50 1HG1 ILE 50 3.414 -6.224 4.186 731 HG21 ILE 50 1HG2 ILE 50 2.532 -4.186 7.113 732 HG22 ILE 50 2HG2 ILE 50 0.986 -4.968 7.444 733 HG23 ILE 50 3HG2 ILE 50 1.152 -3.894 6.054 734 HD11 ILE 50 1HD1 ILE 50 1.806 -3.683 4.083 735 HD12 ILE 50 2HD1 ILE 50 1.567 -5.129 3.099 736 HD13 ILE 50 3HD1 ILE 50 3.028 -4.160 2.904 737 H LYS 51 H LYS 51 2.764 -6.156 9.081 738 HA LYS 51 HA LYS 51 0.770 -8.104 9.962 739 HB2 LYS 51 2HB LYS 51 2.856 -7.870 11.252 740 HB3 LYS 51 1HB LYS 51 2.489 -6.177 11.540 741 HG2 LYS 51 2HG LYS 51 0.624 -6.737 12.915 742 HG3 LYS 51 1HG LYS 51 0.744 -8.442 12.473 743 HD2 LYS 51 2HD LYS 51 1.683 -8.008 14.704 744 HD3 LYS 51 1HD LYS 51 2.906 -8.599 13.578 745 HE2 LYS 51 2HE LYS 51 3.387 -6.087 13.167 746 HE3 LYS 51 1HE LYS 51 2.527 -5.841 14.686 747 HZ1 LYS 51 1HZ LYS 51 4.861 -7.658 14.382 748 HZ2 LYS 51 2HZ LYS 51 4.112 -7.185 15.826 749 HZ3 LYS 51 3HZ LYS 51 4.975 -6.055 14.913 750 H CYS 52 H CYS 52 1.392 -4.627 10.052 751 HA CYS 52 HA CYS 52 -1.392 -3.999 9.735 752 HB2 CYS 52 2HB CYS 52 -1.261 -2.436 11.809 753 HB3 CYS 52 1HB CYS 52 -1.626 -4.139 12.058 754 HG CYS 52 HG CYS 52 0.622 -2.386 13.511 755 H GLN 53 H GLN 53 -1.513 -1.346 9.957 756 HA GLN 53 HA GLN 53 1.005 -0.361 8.823 757 HB2 GLN 53 2HB GLN 53 -0.636 0.965 7.272 758 HB3 GLN 53 1HB GLN 53 -0.287 -0.703 6.894 759 HG2 GLN 53 2HG GLN 53 -2.349 -1.435 7.608 760 HG3 GLN 53 1HG GLN 53 -2.624 -0.008 8.602 761 HE21 GLN 53 1HE2 GLN 53 -1.686 1.715 6.351 762 HE22 GLN 53 2HE2 GLN 53 -3.028 1.779 5.267 763 H LYS 54 H LYS 54 1.089 2.048 9.003 764 HA LYS 54 HA LYS 54 -0.807 3.249 10.910 765 HB2 LYS 54 2HB LYS 54 2.190 3.625 11.257 766 HB3 LYS 54 1HB LYS 54 0.901 4.198 12.287 767 HG2 LYS 54 2HG LYS 54 0.570 1.460 12.292 768 HG3 LYS 54 1HG LYS 54 2.322 1.697 12.344 769 HD2 LYS 54 2HD LYS 54 1.256 3.618 14.067 770 HD3 LYS 54 1HD LYS 54 0.349 2.141 14.396 771 HE2 LYS 54 2HE LYS 54 3.338 2.222 14.246 772 HE3 LYS 54 1HE LYS 54 2.445 2.508 15.739 773 HZ1 LYS 54 1HZ LYS 54 3.156 0.198 15.535 774 HZ2 LYS 54 2HZ LYS 54 2.282 0.043 14.094 775 HZ3 LYS 54 3HZ LYS 54 1.463 0.318 15.550 776 H ILE 55 H ILE 55 -0.454 5.645 10.921 777 HA ILE 55 HA ILE 55 0.844 6.615 8.434 778 HB ILE 55 HB ILE 55 -1.262 8.141 8.252 779 HG12 ILE 55 2HG1 ILE 55 -2.317 5.853 9.896 780 HG13 ILE 55 1HG1 ILE 55 -2.148 7.517 10.419 781 HG21 ILE 55 1HG2 ILE 55 -0.726 6.455 6.570 782 HG22 ILE 55 2HG2 ILE 55 -2.462 6.476 6.885 783 HG23 ILE 55 3HG2 ILE 55 -1.455 5.205 7.578 784 HD11 ILE 55 1HD1 ILE 55 -4.434 6.965 9.954 785 HD12 ILE 55 2HD1 ILE 55 -4.012 6.513 8.300 786 HD13 ILE 55 3HD1 ILE 55 -3.845 8.188 8.829 787 H SER 56 H SER 56 2.003 8.569 8.851 788 HA SER 56 HA SER 56 1.720 9.674 11.480 789 HB2 SER 56 2HB SER 56 3.219 11.479 10.765 790 HB3 SER 56 1HB SER 56 3.876 9.923 10.264 791 HG SER 56 HG SER 56 3.318 12.037 8.772 792 HA PRO 57 HA PRO 57 -2.339 11.117 10.685 793 HB2 PRO 57 2HB PRO 57 -2.337 12.768 12.928 794 HB3 PRO 57 1HB PRO 57 -2.765 11.056 12.892 795 HG2 PRO 57 2HG PRO 57 -0.169 12.341 13.627 796 HG3 PRO 57 1HG PRO 57 -0.995 10.963 14.382 797 HD2 PRO 57 2HD PRO 57 1.069 10.581 12.778 798 HD3 PRO 57 1HD PRO 57 -0.341 9.503 12.709 799 H GLU 58 H GLU 58 -3.515 13.131 10.391 800 HA GLU 58 HA GLU 58 -2.124 15.141 9.000 801 HB2 GLU 58 2HB GLU 58 -4.903 14.776 9.997 802 HB3 GLU 58 1HB GLU 58 -4.399 16.429 9.682 803 HG2 GLU 58 2HG GLU 58 -5.249 15.916 7.648 804 HG3 GLU 58 1HG GLU 58 -3.591 15.374 7.400 805 H GLY 59 H GLY 59 -1.185 16.997 9.703 806 HA2 GLY 59 2HA GLY 59 -1.130 18.821 11.339 807 HA3 GLY 59 1HA GLY 59 -1.429 17.609 12.581 808 H LYS 60 H LYS 60 0.452 15.743 11.092 809 HA LYS 60 HA LYS 60 2.834 16.461 12.480 810 HB2 LYS 60 2HB LYS 60 2.033 14.271 10.605 811 HB3 LYS 60 1HB LYS 60 3.750 14.590 10.795 812 HG2 LYS 60 2HG LYS 60 1.890 14.023 13.092 813 HG3 LYS 60 1HG LYS 60 2.844 12.790 12.267 814 HD2 LYS 60 2HD LYS 60 4.439 15.086 13.073 815 HD3 LYS 60 1HD LYS 60 3.642 14.307 14.438 816 HE2 LYS 60 2HE LYS 60 4.905 12.426 14.275 817 HE3 LYS 60 1HE LYS 60 4.949 12.479 12.513 818 HZ1 LYS 60 1HZ LYS 60 6.636 14.137 12.588 819 HZ2 LYS 60 2HZ LYS 60 7.116 12.855 13.595 820 HZ3 LYS 60 3HZ LYS 60 6.512 14.279 14.275 821 H ALA 61 H ALA 61 4.932 16.857 11.363 822 HA ALA 61 HA ALA 61 4.758 19.033 9.620 823 HB1 ALA 61 1HB ALA 61 6.708 18.670 11.022 824 HB2 ALA 61 2HB ALA 61 7.191 18.776 9.329 825 HB3 ALA 61 3HB ALA 61 7.106 17.206 10.126 826 H LYS 62 H LYS 62 5.061 15.610 9.003 827 HA LYS 62 HA LYS 62 4.544 16.147 6.183 828 HB2 LYS 62 2HB LYS 62 6.730 14.289 7.151 829 HB3 LYS 62 1HB LYS 62 6.224 14.488 5.476 830 HG2 LYS 62 2HG LYS 62 6.886 16.872 5.605 831 HG3 LYS 62 1HG LYS 62 7.491 16.581 7.236 832 HD2 LYS 62 2HD LYS 62 8.463 15.173 4.753 833 HD3 LYS 62 1HD LYS 62 9.261 16.551 5.512 834 HE2 LYS 62 2HE LYS 62 8.794 13.838 6.736 835 HE3 LYS 62 1HE LYS 62 10.335 14.492 6.186 836 HZ1 LYS 62 1HZ LYS 62 10.516 15.024 8.350 837 HZ2 LYS 62 2HZ LYS 62 8.841 15.044 8.616 838 HZ3 LYS 62 3HZ LYS 62 9.607 16.386 7.898 839 H ILE 63 H ILE 63 2.977 14.916 5.429 840 HA ILE 63 HA ILE 63 1.712 12.964 7.112 841 HB ILE 63 HB ILE 63 1.131 13.809 4.268 842 HG12 ILE 63 2HG1 ILE 63 -0.938 14.718 5.751 843 HG13 ILE 63 1HG1 ILE 63 0.357 14.822 6.939 844 HG21 ILE 63 1HG2 ILE 63 -1.029 12.722 4.547 845 HG22 ILE 63 2HG2 ILE 63 -0.547 12.161 6.149 846 HG23 ILE 63 3HG2 ILE 63 0.290 11.564 4.716 847 HD11 ILE 63 1HD1 ILE 63 1.638 16.231 5.425 848 HD12 ILE 63 2HD1 ILE 63 0.043 16.918 5.736 849 HD13 ILE 63 3HD1 ILE 63 0.365 16.094 4.211 850 H GLN 64 H GLN 64 2.273 10.840 7.215 851 HA GLN 64 HA GLN 64 3.427 9.641 4.764 852 HB2 GLN 64 2HB GLN 64 4.713 9.284 7.466 853 HB3 GLN 64 1HB GLN 64 5.328 8.755 5.909 854 HG2 GLN 64 2HG GLN 64 5.986 10.889 5.301 855 HG3 GLN 64 1HG GLN 64 4.902 11.660 6.459 856 HE21 GLN 64 1HE2 GLN 64 5.485 11.724 8.636 857 HE22 GLN 64 2HE2 GLN 64 7.117 11.486 9.152 858 H LEU 65 H LEU 65 3.802 7.275 4.995 859 HA LEU 65 HA LEU 65 1.746 6.013 6.694 860 HB2 LEU 65 2HB LEU 65 1.309 5.891 4.220 861 HB3 LEU 65 1HB LEU 65 2.797 4.980 4.056 862 HG LEU 65 HG LEU 65 1.608 3.464 5.911 863 HD11 LEU 65 1HD1 LEU 65 -0.773 3.211 5.347 864 HD12 LEU 65 2HD1 LEU 65 -0.667 4.670 4.361 865 HD13 LEU 65 3HD1 LEU 65 -0.395 4.760 6.101 866 HD21 LEU 65 1HD2 LEU 65 0.954 1.960 4.166 867 HD22 LEU 65 2HD2 LEU 65 2.475 2.741 3.731 868 HD23 LEU 65 3HD2 LEU 65 0.965 3.269 2.984 869 H GLN 66 H GLN 66 2.336 4.153 7.790 870 HA GLN 66 HA GLN 66 5.181 3.396 7.663 871 HB2 GLN 66 2HB GLN 66 4.589 4.684 9.694 872 HB3 GLN 66 1HB GLN 66 3.384 3.473 10.092 873 HG2 GLN 66 2HG GLN 66 5.022 1.827 10.500 874 HG3 GLN 66 1HG GLN 66 6.296 2.817 9.786 875 HE21 GLN 66 1HE2 GLN 66 7.164 4.501 10.945 876 HE22 GLN 66 2HE2 GLN 66 6.916 4.686 12.649 877 H LEU 67 H LEU 67 5.421 1.350 7.006 878 HA LEU 67 HA LEU 67 3.177 -0.506 7.283 879 HB2 LEU 67 2HB LEU 67 5.761 -0.633 5.742 880 HB3 LEU 67 1HB LEU 67 4.693 -2.011 5.902 881 HG LEU 67 HG LEU 67 4.089 0.602 4.523 882 HD11 LEU 67 1HD1 LEU 67 5.516 -1.011 3.316 883 HD12 LEU 67 2HD1 LEU 67 3.950 -0.770 2.540 884 HD13 LEU 67 3HD1 LEU 67 4.249 -2.226 3.490 885 HD21 LEU 67 1HD2 LEU 67 2.102 -0.162 5.699 886 HD22 LEU 67 2HD2 LEU 67 2.292 -1.775 5.012 887 HD23 LEU 67 3HD2 LEU 67 1.919 -0.407 3.963 888 H VAL 68 H VAL 68 3.133 -1.491 9.242 889 HA VAL 68 HA VAL 68 5.667 -2.215 10.491 890 HB VAL 68 HB VAL 68 2.846 -2.437 11.560 891 HG11 VAL 68 1HG1 VAL 68 3.944 -2.973 13.712 892 HG12 VAL 68 2HG1 VAL 68 5.492 -3.064 12.872 893 HG13 VAL 68 3HG1 VAL 68 4.211 -4.214 12.487 894 HG21 VAL 68 1HG2 VAL 68 3.664 -0.154 11.404 895 HG22 VAL 68 2HG2 VAL 68 5.134 -0.611 12.266 896 HG23 VAL 68 3HG2 VAL 68 3.576 -0.669 13.089 897 H LEU 69 H LEU 69 6.543 -4.052 9.972 898 HA LEU 69 HA LEU 69 5.005 -6.117 8.724 899 HB2 LEU 69 2HB LEU 69 7.901 -6.120 9.527 900 HB3 LEU 69 1HB LEU 69 7.113 -7.310 8.505 901 HG LEU 69 HG LEU 69 8.032 -4.576 7.865 902 HD11 LEU 69 1HD1 LEU 69 7.776 -7.116 6.287 903 HD12 LEU 69 2HD1 LEU 69 9.223 -6.556 7.125 904 HD13 LEU 69 3HD1 LEU 69 8.588 -5.643 5.757 905 HD21 LEU 69 1HD2 LEU 69 6.521 -4.343 5.978 906 HD22 LEU 69 2HD2 LEU 69 5.652 -4.303 7.512 907 HD23 LEU 69 3HD2 LEU 69 5.622 -5.760 6.519 908 H HIS 70 H HIS 70 5.763 -8.474 9.523 909 HA HIS 70 HA HIS 70 4.269 -8.924 11.840 910 HB2 HIS 70 2HB HIS 70 6.170 -10.701 10.333 911 HB3 HIS 70 1HB HIS 70 5.194 -11.264 11.688 912 HD1 HIS 70 1HD HIS 70 2.505 -9.951 11.057 913 HD2 HIS 70 2HD HIS 70 4.916 -11.744 8.196 914 HE1 HIS 70 1HE HIS 70 1.003 -10.497 9.108 915 H ALA 71 H ALA 71 7.830 -9.060 11.477 916 HA ALA 71 HA ALA 71 8.252 -9.823 14.188 917 HB1 ALA 71 1HB ALA 71 10.195 -8.562 12.258 918 HB2 ALA 71 2HB ALA 71 9.870 -10.290 12.406 919 HB3 ALA 71 3HB ALA 71 10.601 -9.411 13.749 920 H GLY 72 H GLY 72 7.670 -6.812 12.667 921 HA2 GLY 72 2HA GLY 72 6.965 -5.010 14.235 922 HA3 GLY 72 1HA GLY 72 8.413 -5.400 15.161 923 H ASP 73 H ASP 73 8.480 -5.584 11.781 924 HA ASP 73 HA ASP 73 10.565 -3.630 11.539 925 HB2 ASP 73 2HB ASP 73 9.168 -4.891 9.203 926 HB3 ASP 73 1HB ASP 73 10.871 -4.517 9.390 927 H THR 74 H THR 74 10.361 -1.785 10.003 928 HA THR 74 HA THR 74 7.606 -1.031 9.439 929 HB THR 74 HB THR 74 8.248 1.332 10.375 930 HG1 THR 74 1HG THR 74 9.862 -0.373 11.991 931 HG21 THR 74 1HG2 THR 74 7.533 -0.958 12.199 932 HG22 THR 74 2HG2 THR 74 6.407 0.004 11.243 933 HG23 THR 74 3HG2 THR 74 7.303 0.752 12.565 934 H THR 75 H THR 75 7.403 -0.072 7.562 935 HA THR 75 HA THR 75 9.790 1.089 6.288 936 HB THR 75 HB THR 75 7.406 0.287 4.675 937 HG1 THR 75 1HG THR 75 8.957 -1.814 4.664 938 HG21 THR 75 1HG2 THR 75 9.280 -0.389 3.112 939 HG22 THR 75 2HG2 THR 75 10.391 0.342 4.271 940 HG23 THR 75 3HG2 THR 75 9.168 1.334 3.477 941 H ASN 76 H ASN 76 9.682 3.232 6.588 942 HA ASN 76 HA ASN 76 7.133 4.606 6.684 943 HB2 ASN 76 2HB ASN 76 9.941 5.294 7.356 944 HB3 ASN 76 1HB ASN 76 8.883 6.618 6.883 945 HD21 ASN 76 1HD2 ASN 76 9.257 7.360 9.043 946 HD22 ASN 76 2HD2 ASN 76 8.277 6.738 10.325 947 H PHE 77 H PHE 77 6.211 5.671 5.111 948 HA PHE 77 HA PHE 77 7.812 6.393 2.742 949 HB2 PHE 77 2HB PHE 77 4.963 5.387 2.876 950 HB3 PHE 77 1HB PHE 77 5.690 6.080 1.429 951 HD1 PHE 77 1HD PHE 77 8.187 4.983 1.042 952 HD2 PHE 77 2HD PHE 77 4.808 3.112 2.827 953 HE1 PHE 77 1HE PHE 77 9.095 2.781 0.437 954 HE2 PHE 77 2HE PHE 77 5.711 0.905 2.226 955 HZ PHE 77 HZ PHE 77 7.855 0.737 1.030 956 H HIS 78 H HIS 78 8.109 8.507 2.887 957 HA HIS 78 HA HIS 78 6.093 10.246 4.021 958 HB2 HIS 78 2HB HIS 78 8.207 10.856 4.731 959 HB3 HIS 78 1HB HIS 78 8.956 10.462 3.199 960 HD1 HIS 78 1HD HIS 78 10.191 12.653 2.903 961 HD2 HIS 78 2HD HIS 78 6.097 13.147 3.487 962 HE1 HIS 78 1HE HIS 78 9.670 15.067 2.340 963 H PHE 79 H PHE 79 4.598 11.224 2.864 964 HA PHE 79 HA PHE 79 4.711 11.128 -0.027 965 HB2 PHE 79 2HB PHE 79 2.594 12.144 1.885 966 HB3 PHE 79 1HB PHE 79 2.414 12.108 0.133 967 HD1 PHE 79 1HD PHE 79 2.917 9.966 3.116 968 HD2 PHE 79 2HD PHE 79 1.746 10.152 -0.970 969 HE1 PHE 79 1HE PHE 79 2.118 7.644 3.244 970 HE2 PHE 79 2HE PHE 79 0.944 7.830 -0.847 971 HZ PHE 79 HZ PHE 79 1.126 6.574 1.260 972 H SER 80 H SER 80 6.238 12.536 -0.693 973 HA SER 80 HA SER 80 6.351 15.220 0.380 974 HB2 SER 80 2HB SER 80 8.198 15.254 -1.557 975 HB3 SER 80 1HB SER 80 8.506 14.555 0.031 976 HG SER 80 HG SER 80 8.854 13.317 -2.149 977 H ASN 81 H ASN 81 4.147 14.078 -1.521 978 HA ASN 81 HA ASN 81 4.391 15.888 -3.768 979 HB2 ASN 81 2HB ASN 81 3.230 13.586 -3.835 980 HB3 ASN 81 1HB ASN 81 1.885 14.384 -3.025 981 HD21 ASN 81 1HD2 ASN 81 1.308 13.307 -5.356 982 HD22 ASN 81 2HD2 ASN 81 1.157 14.510 -6.596 983 H GLU 82 H GLU 82 4.228 17.957 -3.259 984 HA GLU 82 HA GLU 82 2.807 18.985 -1.058 985 HB2 GLU 82 2HB GLU 82 3.672 20.476 -3.545 986 HB3 GLU 82 1HB GLU 82 3.353 21.166 -1.960 987 HG2 GLU 82 2HG GLU 82 5.621 21.095 -1.903 988 HG3 GLU 82 1HG GLU 82 5.260 19.513 -1.221 989 H SER 83 H SER 83 1.575 17.819 -3.948 990 HA SER 83 HA SER 83 -0.548 19.740 -4.228 991 HB2 SER 83 2HB SER 83 -0.552 17.016 -5.493 992 HB3 SER 83 1HB SER 83 -1.187 18.534 -6.127 993 HG SER 83 HG SER 83 1.459 17.593 -6.044 994 H THR 84 H THR 84 -0.599 16.208 -3.520 995 HA THR 84 HA THR 84 -2.839 16.744 -1.702 996 HB THR 84 HB THR 84 -3.630 14.366 -2.642 997 HG1 THR 84 1HG THR 84 -1.857 14.420 -4.215 998 HG21 THR 84 1HG2 THR 84 -4.236 16.994 -4.002 999 HG22 THR 84 2HG2 THR 84 -4.967 16.439 -2.497 1000 HG23 THR 84 3HG2 THR 84 -5.256 15.555 -3.996 1001 H ALA 85 H ALA 85 -0.053 16.205 -1.060 1002 HA ALA 85 HA ALA 85 0.780 13.728 -0.409 1003 HB1 ALA 85 1HB ALA 85 1.976 14.643 1.465 1004 HB2 ALA 85 2HB ALA 85 0.875 16.018 1.549 1005 HB3 ALA 85 3HB ALA 85 1.954 15.836 0.166 1006 H VAL 86 H VAL 86 -1.491 15.590 1.544 1007 HA VAL 86 HA VAL 86 -1.826 13.772 3.635 1008 HB VAL 86 HB VAL 86 -3.592 15.924 2.512 1009 HG11 VAL 86 1HG1 VAL 86 -5.035 15.689 4.483 1010 HG12 VAL 86 2HG1 VAL 86 -4.133 14.249 4.957 1011 HG13 VAL 86 3HG1 VAL 86 -5.076 14.248 3.466 1012 HG21 VAL 86 1HG2 VAL 86 -3.053 17.090 4.574 1013 HG22 VAL 86 2HG2 VAL 86 -1.604 16.673 3.659 1014 HG23 VAL 86 3HG2 VAL 86 -2.053 15.729 5.079 1015 H LYS 87 H LYS 87 -3.782 14.194 0.673 1016 HA LYS 87 HA LYS 87 -5.446 11.988 1.480 1017 HB2 LYS 87 2HB LYS 87 -5.593 13.921 -0.799 1018 HB3 LYS 87 1HB LYS 87 -6.629 12.498 -0.733 1019 HG2 LYS 87 2HG LYS 87 -6.689 14.957 0.907 1020 HG3 LYS 87 1HG LYS 87 -8.010 13.913 0.373 1021 HD2 LYS 87 2HD LYS 87 -7.555 12.319 2.083 1022 HD3 LYS 87 1HD LYS 87 -6.024 13.089 2.483 1023 HE2 LYS 87 2HE LYS 87 -7.304 15.087 3.246 1024 HE3 LYS 87 1HE LYS 87 -8.793 14.178 2.979 1025 HZ1 LYS 87 1HZ LYS 87 -6.765 13.852 5.078 1026 HZ2 LYS 87 2HZ LYS 87 -7.521 12.446 4.503 1027 HZ3 LYS 87 3HZ LYS 87 -8.450 13.700 5.163 1028 H GLU 88 H GLU 88 -2.721 12.371 -0.691 1029 HA GLU 88 HA GLU 88 -3.285 9.973 -2.132 1030 HB2 GLU 88 2HB GLU 88 -0.655 11.412 -1.682 1031 HB3 GLU 88 1HB GLU 88 -0.802 9.955 -2.639 1032 HG2 GLU 88 2HG GLU 88 -2.015 11.002 -4.301 1033 HG3 GLU 88 1HG GLU 88 -2.498 12.333 -3.251 1034 H ARG 89 H ARG 89 -1.862 10.774 0.938 1035 HA ARG 89 HA ARG 89 -0.814 8.207 1.540 1036 HB2 ARG 89 2HB ARG 89 -0.166 10.144 2.894 1037 HB3 ARG 89 1HB ARG 89 -1.835 10.353 3.419 1038 HG2 ARG 89 2HG ARG 89 -1.397 7.775 4.121 1039 HG3 ARG 89 1HG ARG 89 0.213 8.460 4.339 1040 HD2 ARG 89 2HD ARG 89 -1.101 8.551 6.394 1041 HD3 ARG 89 1HD ARG 89 -0.691 10.161 5.810 1042 HE ARG 89 HE ARG 89 -3.294 9.179 5.007 1043 HH11 ARG 89 1HH1 ARG 89 -1.482 11.008 7.392 1044 HH12 ARG 89 2HH1 ARG 89 -2.872 11.904 7.928 1045 HH21 ARG 89 1HH2 ARG 89 -5.123 10.351 5.758 1046 HH22 ARG 89 2HH2 ARG 89 -4.903 11.552 7.011 1047 H ASP 90 H ASP 90 -3.871 9.836 2.149 1048 HA ASP 90 HA ASP 90 -5.183 7.789 3.541 1049 HB2 ASP 90 2HB ASP 90 -6.040 10.186 2.000 1050 HB3 ASP 90 1HB ASP 90 -7.261 8.960 2.304 1051 H ALA 91 H ALA 91 -4.801 8.367 0.069 1052 HA ALA 91 HA ALA 91 -6.572 6.389 -0.831 1053 HB1 ALA 91 1HB ALA 91 -5.660 8.119 -2.297 1054 HB2 ALA 91 2HB ALA 91 -5.352 6.509 -2.946 1055 HB3 ALA 91 3HB ALA 91 -4.055 7.402 -2.152 1056 H VAL 92 H VAL 92 -3.152 6.278 0.049 1057 HA VAL 92 HA VAL 92 -2.784 3.528 -0.679 1058 HB VAL 92 HB VAL 92 -1.144 5.323 1.131 1059 HG11 VAL 92 1HG1 VAL 92 0.652 3.689 0.860 1060 HG12 VAL 92 2HG1 VAL 92 -0.433 2.643 -0.056 1061 HG13 VAL 92 3HG1 VAL 92 -0.754 2.972 1.647 1062 HG21 VAL 92 1HG2 VAL 92 -1.239 6.114 -1.170 1063 HG22 VAL 92 2HG2 VAL 92 -0.730 4.526 -1.745 1064 HG23 VAL 92 3HG2 VAL 92 0.370 5.508 -0.776 1065 H LYS 93 H LYS 93 -3.405 5.334 2.241 1066 HA LYS 93 HA LYS 93 -3.220 3.267 4.112 1067 HB2 LYS 93 2HB LYS 93 -3.164 5.350 5.050 1068 HB3 LYS 93 1HB LYS 93 -4.368 5.996 3.954 1069 HG2 LYS 93 2HG LYS 93 -6.091 4.701 5.219 1070 HG3 LYS 93 1HG LYS 93 -4.833 4.323 6.401 1071 HD2 LYS 93 2HD LYS 93 -4.747 6.445 7.195 1072 HD3 LYS 93 1HD LYS 93 -5.131 7.159 5.628 1073 HE2 LYS 93 2HE LYS 93 -7.250 5.576 6.931 1074 HE3 LYS 93 1HE LYS 93 -6.836 7.121 7.675 1075 HZ1 LYS 93 1HZ LYS 93 -7.084 8.068 5.345 1076 HZ2 LYS 93 2HZ LYS 93 -8.506 7.622 6.147 1077 HZ3 LYS 93 3HZ LYS 93 -7.872 6.613 4.943 1078 H ASP 94 H ASP 94 -6.085 4.687 2.545 1079 HA ASP 94 HA ASP 94 -7.956 2.935 3.703 1080 HB2 ASP 94 2HB ASP 94 -7.963 4.889 1.472 1081 HB3 ASP 94 1HB ASP 94 -9.242 3.685 1.480 1082 H LEU 95 H LEU 95 -6.116 2.750 0.727 1083 HA LEU 95 HA LEU 95 -7.529 0.441 -0.233 1084 HB2 LEU 95 2HB LEU 95 -6.200 2.119 -1.647 1085 HB3 LEU 95 1HB LEU 95 -4.760 1.290 -1.088 1086 HG LEU 95 HG LEU 95 -5.538 -0.793 -2.117 1087 HD11 LEU 95 1HD1 LEU 95 -7.502 -0.770 -3.594 1088 HD12 LEU 95 2HD1 LEU 95 -7.877 0.865 -3.049 1089 HD13 LEU 95 3HD1 LEU 95 -7.931 -0.480 -1.908 1090 HD21 LEU 95 1HD2 LEU 95 -5.286 -0.132 -4.447 1091 HD22 LEU 95 2HD2 LEU 95 -4.152 0.745 -3.419 1092 HD23 LEU 95 3HD2 LEU 95 -5.604 1.548 -4.014 1093 H LEU 96 H LEU 96 -4.839 1.031 1.890 1094 HA LEU 96 HA LEU 96 -3.819 -1.616 1.794 1095 HB2 LEU 96 2HB LEU 96 -3.429 0.726 3.558 1096 HB3 LEU 96 1HB LEU 96 -3.027 -0.851 4.217 1097 HG LEU 96 HG LEU 96 -1.890 0.354 1.693 1098 HD11 LEU 96 1HD1 LEU 96 -1.052 1.413 3.719 1099 HD12 LEU 96 2HD1 LEU 96 0.198 0.442 2.941 1100 HD13 LEU 96 3HD1 LEU 96 -0.627 -0.168 4.376 1101 HD21 LEU 96 1HD2 LEU 96 -2.085 -2.061 1.513 1102 HD22 LEU 96 2HD2 LEU 96 -1.277 -2.255 3.068 1103 HD23 LEU 96 3HD2 LEU 96 -0.396 -1.586 1.696 1104 H GLN 97 H GLN 97 -5.825 0.038 4.325 1105 HA GLN 97 HA GLN 97 -6.579 -2.236 5.682 1106 HB2 GLN 97 2HB GLN 97 -8.857 -0.842 5.894 1107 HB3 GLN 97 1HB GLN 97 -7.385 -0.396 6.756 1108 HG2 GLN 97 2HG GLN 97 -6.995 0.938 4.496 1109 HG3 GLN 97 1HG GLN 97 -8.754 0.880 4.489 1110 HE21 GLN 97 1HE2 GLN 97 -7.183 0.845 7.515 1111 HE22 GLN 97 2HE2 GLN 97 -7.505 2.490 7.942 1112 H GLN 98 H GLN 98 -7.410 -1.364 2.480 1113 HA GLN 98 HA GLN 98 -9.656 -3.191 2.312 1114 HB2 GLN 98 2HB GLN 98 -8.395 -1.171 0.548 1115 HB3 GLN 98 1HB GLN 98 -9.214 -2.501 -0.250 1116 HG2 GLN 98 2HG GLN 98 -10.389 -0.193 0.567 1117 HG3 GLN 98 1HG GLN 98 -11.234 -1.708 0.253 1118 HE21 GLN 98 1HE2 GLN 98 -11.943 -2.937 1.942 1119 HE22 GLN 98 2HE2 GLN 98 -12.034 -2.338 3.559 1120 H LEU 99 H LEU 99 -6.315 -3.037 1.087 1121 HA LEU 99 HA LEU 99 -6.590 -5.618 -0.210 1122 HB2 LEU 99 2HB LEU 99 -4.480 -3.515 -0.112 1123 HB3 LEU 99 1HB LEU 99 -4.047 -5.138 -0.621 1124 HG LEU 99 HG LEU 99 -6.252 -3.539 -1.908 1125 HD11 LEU 99 1HD1 LEU 99 -3.388 -3.857 -2.793 1126 HD12 LEU 99 2HD1 LEU 99 -4.124 -2.372 -2.187 1127 HD13 LEU 99 3HD1 LEU 99 -4.674 -3.073 -3.710 1128 HD21 LEU 99 1HD2 LEU 99 -6.091 -5.162 -3.675 1129 HD22 LEU 99 2HD2 LEU 99 -6.332 -6.003 -2.144 1130 HD23 LEU 99 3HD2 LEU 99 -4.730 -5.952 -2.877 1131 H LEU 100 H LEU 100 -5.160 -4.367 2.732 1132 HA LEU 100 HA LEU 100 -3.393 -6.450 3.288 1133 HB2 LEU 100 2HB LEU 100 -4.857 -4.490 5.020 1134 HB3 LEU 100 1HB LEU 100 -3.927 -5.782 5.762 1135 HG LEU 100 HG LEU 100 -2.739 -3.862 3.759 1136 HD11 LEU 100 1HD1 LEU 100 -3.474 -2.537 5.670 1137 HD12 LEU 100 2HD1 LEU 100 -1.716 -2.673 5.649 1138 HD13 LEU 100 3HD1 LEU 100 -2.661 -3.649 6.773 1139 HD21 LEU 100 1HD2 LEU 100 -1.529 -5.924 3.977 1140 HD22 LEU 100 2HD2 LEU 100 -1.535 -5.786 5.736 1141 HD23 LEU 100 3HD2 LEU 100 -0.621 -4.632 4.763 1142 HA PRO 101 HA PRO 101 -7.163 -8.705 5.547 1143 HB2 PRO 101 2HB PRO 101 -9.327 -7.732 3.762 1144 HB3 PRO 101 1HB PRO 101 -9.361 -8.065 5.497 1145 HG2 PRO 101 2HG PRO 101 -9.338 -5.566 4.616 1146 HG3 PRO 101 1HG PRO 101 -8.383 -6.032 6.039 1147 HD2 PRO 101 2HD PRO 101 -7.483 -5.560 3.224 1148 HD3 PRO 101 1HD PRO 101 -6.708 -5.086 4.750 1149 H LYS 102 H LYS 102 -6.842 -8.026 2.136 1150 HA LYS 102 HA LYS 102 -7.988 -10.424 1.135 1151 HB2 LYS 102 2HB LYS 102 -7.638 -8.505 -0.318 1152 HB3 LYS 102 1HB LYS 102 -5.909 -8.547 -0.023 1153 HG2 LYS 102 2HG LYS 102 -5.664 -10.553 -1.286 1154 HG3 LYS 102 1HG LYS 102 -7.414 -10.759 -1.401 1155 HD2 LYS 102 2HD LYS 102 -7.641 -8.926 -2.862 1156 HD3 LYS 102 1HD LYS 102 -6.030 -8.320 -2.483 1157 HE2 LYS 102 2HE LYS 102 -6.300 -11.023 -3.710 1158 HE3 LYS 102 1HE LYS 102 -6.516 -9.602 -4.730 1159 HZ1 LYS 102 1HZ LYS 102 -4.108 -10.398 -3.205 1160 HZ2 LYS 102 2HZ LYS 102 -4.304 -8.835 -3.817 1161 HZ3 LYS 102 3HZ LYS 102 -4.251 -10.158 -4.874 1162 H PHE 103 H PHE 103 -5.158 -9.651 2.775 1163 HA PHE 103 HA PHE 103 -4.016 -12.324 2.319 1164 HB2 PHE 103 2HB PHE 103 -2.566 -9.708 2.824 1165 HB3 PHE 103 1HB PHE 103 -1.793 -11.290 2.817 1166 HD1 PHE 103 1HD PHE 103 -1.040 -12.233 0.826 1167 HD2 PHE 103 2HD PHE 103 -3.709 -8.925 0.709 1168 HE1 PHE 103 1HE PHE 103 -0.700 -12.046 -1.602 1169 HE2 PHE 103 2HE PHE 103 -3.375 -8.732 -1.718 1170 HZ PHE 103 HZ PHE 103 -1.869 -10.295 -2.873 1171 H LYS 104 H LYS 104 -5.951 -11.071 4.252 1172 HA LYS 104 HA LYS 104 -5.378 -10.380 6.706 1173 HB2 LYS 104 2HB LYS 104 -7.401 -12.015 5.565 1174 HB3 LYS 104 1HB LYS 104 -6.944 -12.730 7.102 1175 HG2 LYS 104 2HG LYS 104 -7.749 -9.855 6.730 1176 HG3 LYS 104 1HG LYS 104 -8.834 -11.143 7.255 1177 HD2 LYS 104 2HD LYS 104 -7.245 -11.555 9.165 1178 HD3 LYS 104 1HD LYS 104 -6.403 -10.080 8.685 1179 HE2 LYS 104 2HE LYS 104 -9.242 -10.359 9.650 1180 HE3 LYS 104 1HE LYS 104 -7.915 -9.498 10.429 1181 HZ1 LYS 104 1HZ LYS 104 -9.084 -7.809 9.431 1182 HZ2 LYS 104 2HZ LYS 104 -9.508 -8.723 8.073 1183 HZ3 LYS 104 3HZ LYS 104 -7.919 -8.135 8.246 1184 H ARG 105 H ARG 105 -3.793 -10.763 8.016 1185 HA ARG 105 HA ARG 105 -2.277 -13.181 7.954 1186 HB2 ARG 105 2HB ARG 105 -2.037 -11.101 10.104 1187 HB3 ARG 105 1HB ARG 105 -0.787 -12.129 9.424 1188 HG2 ARG 105 2HG ARG 105 -2.074 -9.719 8.166 1189 HG3 ARG 105 1HG ARG 105 -0.395 -9.915 8.660 1190 HD2 ARG 105 2HD ARG 105 -1.785 -11.373 6.411 1191 HD3 ARG 105 1HD ARG 105 -0.613 -10.071 6.240 1192 HE ARG 105 HE ARG 105 1.086 -11.570 7.054 1193 HH11 ARG 105 1HH1 ARG 105 -1.950 -13.034 6.111 1194 HH12 ARG 105 2HH1 ARG 105 -1.293 -14.647 6.042 1195 HH21 ARG 105 1HH2 ARG 105 1.962 -13.678 6.869 1196 HH22 ARG 105 2HH2 ARG 105 0.920 -15.011 6.443 1197 H LYS 106 H LYS 106 -2.594 -14.949 9.035 1198 HA LYS 106 HA LYS 106 -3.750 -14.948 11.690 1199 HB2 LYS 106 2HB LYS 106 -5.229 -16.989 10.674 1200 HB3 LYS 106 1HB LYS 106 -5.838 -15.356 10.892 1201 HG2 LYS 106 2HG LYS 106 -6.480 -15.692 8.744 1202 HG3 LYS 106 1HG LYS 106 -4.861 -15.060 8.444 1203 HD2 LYS 106 2HD LYS 106 -4.014 -17.370 8.296 1204 HD3 LYS 106 1HD LYS 106 -5.655 -17.971 8.539 1205 HE2 LYS 106 2HE LYS 106 -5.211 -18.025 6.198 1206 HE3 LYS 106 1HE LYS 106 -6.335 -16.701 6.495 1207 HZ1 LYS 106 1HZ LYS 106 -3.412 -16.252 6.343 1208 HZ2 LYS 106 2HZ LYS 106 -4.664 -15.119 6.172 1209 HZ3 LYS 106 3HZ LYS 106 -4.382 -16.262 4.954 1210 H ALA 107 H ALA 107 -4.208 -17.985 10.587 1211 HA ALA 107 HA ALA 107 -1.638 -18.883 11.583 1212 HB1 ALA 107 1HB ALA 107 -2.616 -21.152 11.316 1213 HB2 ALA 107 2HB ALA 107 -4.071 -20.409 10.651 1214 HB3 ALA 107 3HB ALA 107 -3.599 -20.085 12.319 1215 H ASN 108 H ASN 108 -1.958 -17.425 9.060 1216 HA ASN 108 HA ASN 108 -0.088 -18.722 7.443 1217 HB2 ASN 108 2HB ASN 108 -1.557 -20.217 6.480 1218 HB3 ASN 108 1HB ASN 108 -2.959 -19.200 6.789 1219 HD21 ASN 108 1HD2 ASN 108 -0.230 -19.742 4.671 1220 HD22 ASN 108 2HD2 ASN 108 -0.863 -18.871 3.320
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