NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
19095 | 2ede | 11098 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 9.430 30.356 -11.711 2 HA2 GLY 1 1HA GLY 1 7.566 31.758 -11.943 3 HA3 GLY 1 2HA GLY 1 6.961 30.708 -13.216 4 H SER 2 H SER 2 6.514 28.365 -12.280 5 HA SER 2 HA SER 2 4.663 28.792 -10.050 6 HB2 SER 2 1HB SER 2 4.834 26.487 -12.007 7 HB3 SER 2 2HB SER 2 3.578 26.720 -10.792 8 HG SER 2 HG SER 2 4.041 28.815 -12.568 9 H SER 3 H SER 3 6.362 28.748 -8.457 10 HA SER 3 HA SER 3 7.629 26.139 -8.036 11 HB2 SER 3 1HB SER 3 8.245 28.927 -7.187 12 HB3 SER 3 2HB SER 3 8.731 27.621 -6.106 13 HG SER 3 HG SER 3 9.341 27.573 -8.864 14 H GLY 4 H GLY 4 4.876 26.246 -7.580 15 HA2 GLY 4 1HA GLY 4 4.628 26.349 -4.651 16 HA3 GLY 4 2HA GLY 4 3.290 26.369 -5.789 17 H SER 5 H SER 5 6.087 24.192 -5.524 18 HA SER 5 HA SER 5 4.315 21.909 -5.766 19 HB2 SER 5 1HB SER 5 7.290 22.298 -5.834 20 HB3 SER 5 2HB SER 5 6.622 20.684 -5.589 21 HG SER 5 HG SER 5 6.817 20.904 -7.759 22 H SER 6 H SER 6 3.214 21.663 -3.870 23 HA SER 6 HA SER 6 4.782 21.423 -1.397 24 HB2 SER 6 1HB SER 6 1.814 21.827 -1.829 25 HB3 SER 6 2HB SER 6 2.566 21.600 -0.250 26 HG SER 6 HG SER 6 3.961 23.479 -1.174 27 H GLY 7 H GLY 7 1.931 19.870 -2.890 28 HA2 GLY 7 1HA GLY 7 1.826 17.526 -3.348 29 HA3 GLY 7 2HA GLY 7 3.048 17.264 -2.113 30 HA PRO 8 HA PRO 8 -1.339 16.508 -0.496 31 HB2 PRO 8 1HB PRO 8 -1.144 13.816 -0.201 32 HB3 PRO 8 2HB PRO 8 -1.726 14.580 -1.685 33 HG2 PRO 8 1HG PRO 8 0.990 13.491 -1.055 34 HG3 PRO 8 2HG PRO 8 0.035 13.324 -2.539 35 HD2 PRO 8 1HD PRO 8 2.061 15.105 -2.304 36 HD3 PRO 8 2HD PRO 8 0.629 15.415 -3.307 37 H THR 9 H THR 9 -1.807 16.183 1.667 38 HA THR 9 HA THR 9 0.500 15.600 3.409 39 HB THR 9 HB THR 9 -0.339 17.142 5.044 40 HG1 THR 9 1HG THR 9 -2.424 18.064 3.430 41 HG21 THR 9 3HG2 THR 9 -0.202 19.262 3.836 42 HG22 THR 9 1HG2 THR 9 -0.483 18.422 2.311 43 HG23 THR 9 2HG2 THR 9 0.993 18.117 3.227 44 H SER 10 H SER 10 -1.608 13.799 2.317 45 HA SER 10 HA SER 10 -2.340 12.578 4.856 46 HB2 SER 10 1HB SER 10 -4.695 12.247 4.144 47 HB3 SER 10 2HB SER 10 -4.294 13.950 4.363 48 HG SER 10 HG SER 10 -3.872 13.907 2.006 49 H ALA 11 H ALA 11 -2.705 10.351 4.728 50 HA ALA 11 HA ALA 11 -1.578 9.107 2.346 51 HB1 ALA 11 3HB ALA 11 -2.014 8.241 5.164 52 HB2 ALA 11 1HB ALA 11 -1.840 7.019 3.905 53 HB3 ALA 11 2HB ALA 11 -0.550 8.189 4.182 54 HA PRO 12 HA PRO 12 -5.323 7.498 0.720 55 HB2 PRO 12 1HB PRO 12 -4.565 5.033 -0.128 56 HB3 PRO 12 2HB PRO 12 -4.066 6.523 -0.938 57 HG2 PRO 12 1HG PRO 12 -2.556 4.834 1.019 58 HG3 PRO 12 2HG PRO 12 -1.984 5.596 -0.476 59 HD2 PRO 12 1HD PRO 12 -1.512 6.654 1.971 60 HD3 PRO 12 2HD PRO 12 -1.730 7.657 0.523 61 H LYS 13 H LYS 13 -6.907 5.717 0.875 62 HA LYS 13 HA LYS 13 -6.721 4.263 3.430 63 HB2 LYS 13 1HB LYS 13 -9.274 4.580 3.502 64 HB3 LYS 13 2HB LYS 13 -8.261 5.951 3.933 65 HG2 LYS 13 1HG LYS 13 -8.522 6.700 1.516 66 HG3 LYS 13 2HG LYS 13 -9.809 5.497 1.404 67 HD2 LYS 13 1HD LYS 13 -11.109 6.594 3.045 68 HD3 LYS 13 2HD LYS 13 -9.755 7.611 3.544 69 HE2 LYS 13 1HE LYS 13 -9.984 9.025 1.763 70 HE3 LYS 13 2HE LYS 13 -10.655 7.775 0.717 71 HZ1 LYS 13 3HZ LYS 13 -12.076 9.144 2.936 72 HZ2 LYS 13 1HZ LYS 13 -12.724 7.903 1.986 73 HZ3 LYS 13 2HZ LYS 13 -12.334 9.391 1.283 74 H ASP 14 H ASP 14 -8.862 2.704 3.398 75 HA ASP 14 HA ASP 14 -9.679 0.738 2.597 76 HB2 ASP 14 1HB ASP 14 -10.532 2.458 0.859 77 HB3 ASP 14 2HB ASP 14 -9.294 1.782 -0.196 78 H LEU 15 H LEU 15 -6.743 1.173 2.856 79 HA LEU 15 HA LEU 15 -5.426 -0.253 0.784 80 HB2 LEU 15 1HB LEU 15 -4.348 1.335 2.384 81 HB3 LEU 15 2HB LEU 15 -4.523 0.107 3.636 82 HG LEU 15 HG LEU 15 -3.021 -1.373 2.419 83 HD11 LEU 15 1HD1 LEU 15 -1.750 0.028 0.505 84 HD12 LEU 15 2HD1 LEU 15 -3.387 0.652 0.312 85 HD13 LEU 15 3HD1 LEU 15 -3.084 -1.081 0.187 86 HD21 LEU 15 3HD2 LEU 15 -2.311 1.161 3.554 87 HD22 LEU 15 1HD2 LEU 15 -1.166 0.731 2.283 88 HD23 LEU 15 2HD2 LEU 15 -1.449 -0.377 3.627 89 H THR 16 H THR 16 -6.291 -2.235 0.374 90 HA THR 16 HA THR 16 -6.210 -4.188 2.581 91 HB THR 16 HB THR 16 -8.088 -4.193 0.210 92 HG1 THR 16 1HG THR 16 -9.573 -4.081 2.213 93 HG21 THR 16 3HG2 THR 16 -7.794 -6.444 0.680 94 HG22 THR 16 1HG2 THR 16 -9.163 -6.032 1.712 95 HG23 THR 16 2HG2 THR 16 -7.544 -6.158 2.402 96 H VAL 17 H VAL 17 -5.290 -6.172 2.191 97 HA VAL 17 HA VAL 17 -4.039 -6.540 -0.454 98 HB VAL 17 HB VAL 17 -2.849 -7.306 2.216 99 HG11 VAL 17 1HG1 VAL 17 -1.674 -7.486 -0.556 100 HG12 VAL 17 2HG1 VAL 17 -0.882 -7.947 0.952 101 HG13 VAL 17 3HG1 VAL 17 -2.286 -8.848 0.381 102 HG21 VAL 17 3HG2 VAL 17 -1.253 -5.493 0.682 103 HG22 VAL 17 1HG2 VAL 17 -2.869 -4.819 0.896 104 HG23 VAL 17 2HG2 VAL 17 -1.916 -5.291 2.304 105 H ILE 18 H ILE 18 -4.746 -8.292 -1.460 106 HA ILE 18 HA ILE 18 -5.503 -10.639 0.149 107 HB ILE 18 HB ILE 18 -7.290 -11.136 -1.476 108 HG12 ILE 18 1HG1 ILE 18 -6.955 -8.329 -2.518 109 HG13 ILE 18 2HG1 ILE 18 -6.164 -9.699 -3.291 110 HG21 ILE 18 1HG2 ILE 18 -8.876 -9.769 -0.484 111 HG22 ILE 18 2HG2 ILE 18 -7.544 -9.710 0.669 112 HG23 ILE 18 3HG2 ILE 18 -7.800 -8.372 -0.451 113 HD11 ILE 18 3HD1 ILE 18 -8.193 -9.221 -4.451 114 HD12 ILE 18 1HD1 ILE 18 -8.393 -10.743 -3.583 115 HD13 ILE 18 2HD1 ILE 18 -9.119 -9.265 -2.951 116 H THR 19 H THR 19 -4.874 -12.607 -0.616 117 HA THR 19 HA THR 19 -2.766 -12.659 -2.543 118 HB THR 19 HB THR 19 -2.834 -14.170 -0.567 119 HG1 THR 19 1HG THR 19 -1.556 -15.328 -1.778 120 HG21 THR 19 3HG2 THR 19 -4.279 -16.068 -0.500 121 HG22 THR 19 1HG2 THR 19 -4.913 -15.720 -2.108 122 HG23 THR 19 2HG2 THR 19 -5.296 -14.651 -0.758 123 H ARG 20 H ARG 20 -2.910 -12.920 -4.669 124 HA ARG 20 HA ARG 20 -5.265 -12.987 -6.105 125 HB2 ARG 20 1HB ARG 20 -2.422 -13.591 -6.737 126 HB3 ARG 20 2HB ARG 20 -3.634 -14.102 -7.904 127 HG2 ARG 20 1HG ARG 20 -4.481 -11.632 -7.624 128 HG3 ARG 20 2HG ARG 20 -2.821 -11.362 -7.087 129 HD2 ARG 20 1HD ARG 20 -2.745 -10.953 -9.384 130 HD3 ARG 20 2HD ARG 20 -2.135 -12.599 -9.224 131 HE ARG 20 HE ARG 20 -4.966 -12.444 -9.713 132 HH11 ARG 20 1HH1 ARG 20 -1.801 -12.557 -11.161 133 HH12 ARG 20 2HH1 ARG 20 -2.371 -13.187 -12.671 134 HH21 ARG 20 1HH2 ARG 20 -5.728 -13.273 -11.697 135 HH22 ARG 20 2HH2 ARG 20 -4.605 -13.593 -12.975 136 H GLU 21 H GLU 21 -6.304 -14.628 -7.342 137 HA GLU 21 HA GLU 21 -6.451 -17.149 -5.941 138 HB2 GLU 21 1HB GLU 21 -8.409 -17.571 -7.181 139 HB3 GLU 21 2HB GLU 21 -8.436 -15.842 -6.865 140 HG2 GLU 21 1HG GLU 21 -7.403 -17.024 -9.426 141 HG3 GLU 21 2HG GLU 21 -9.084 -16.552 -9.186 142 H GLY 22 H GLY 22 -5.070 -15.916 -8.882 143 HA2 GLY 22 1HA GLY 22 -4.643 -18.557 -10.011 144 HA3 GLY 22 2HA GLY 22 -4.135 -17.027 -10.710 145 H LYS 23 H LYS 23 -2.924 -16.317 -8.020 146 HA LYS 23 HA LYS 23 -0.698 -18.186 -7.862 147 HB2 LYS 23 1HB LYS 23 -0.387 -15.287 -8.647 148 HB3 LYS 23 2HB LYS 23 0.941 -16.275 -8.054 149 HG2 LYS 23 1HG LYS 23 -0.672 -17.192 -10.393 150 HG3 LYS 23 2HG LYS 23 0.593 -15.979 -10.603 151 HD2 LYS 23 1HD LYS 23 2.281 -17.450 -10.035 152 HD3 LYS 23 2HD LYS 23 1.200 -18.495 -9.110 153 HE2 LYS 23 1HE LYS 23 0.731 -18.224 -12.034 154 HE3 LYS 23 2HE LYS 23 2.112 -19.182 -11.501 155 HZ1 LYS 23 3HZ LYS 23 -0.747 -19.622 -10.855 156 HZ2 LYS 23 1HZ LYS 23 0.512 -20.418 -10.053 157 HZ3 LYS 23 2HZ LYS 23 0.289 -20.647 -11.713 158 HA PRO 24 HA PRO 24 -1.314 -17.104 -3.605 159 HB2 PRO 24 1HB PRO 24 0.763 -18.542 -2.611 160 HB3 PRO 24 2HB PRO 24 -0.753 -19.282 -3.138 161 HG2 PRO 24 1HG PRO 24 1.853 -19.061 -4.594 162 HG3 PRO 24 2HG PRO 24 0.753 -20.446 -4.475 163 HD2 PRO 24 1HD PRO 24 0.828 -18.827 -6.644 164 HD3 PRO 24 2HD PRO 24 -0.663 -19.621 -6.096 165 H ARG 25 H ARG 25 2.043 -17.160 -4.823 166 HA ARG 25 HA ARG 25 3.084 -15.368 -2.931 167 HB2 ARG 25 1HB ARG 25 4.001 -16.053 -5.726 168 HB3 ARG 25 2HB ARG 25 4.926 -15.047 -4.620 169 HG2 ARG 25 1HG ARG 25 5.316 -16.830 -3.148 170 HG3 ARG 25 2HG ARG 25 4.058 -17.822 -3.888 171 HD2 ARG 25 1HD ARG 25 5.403 -17.917 -5.959 172 HD3 ARG 25 2HD ARG 25 6.674 -17.004 -5.146 173 HE ARG 25 HE ARG 25 5.983 -19.339 -3.683 174 HH11 ARG 25 1HH1 ARG 25 7.748 -18.233 -6.472 175 HH12 ARG 25 2HH1 ARG 25 8.868 -19.555 -6.450 176 HH21 ARG 25 1HH2 ARG 25 7.450 -21.085 -3.644 177 HH22 ARG 25 2HH2 ARG 25 8.696 -21.177 -4.842 178 H ALA 26 H ALA 26 0.902 -14.811 -5.410 179 HA ALA 26 HA ALA 26 1.703 -12.014 -5.766 180 HB1 ALA 26 3HB ALA 26 -0.622 -12.616 -7.270 181 HB2 ALA 26 1HB ALA 26 1.013 -12.299 -7.852 182 HB3 ALA 26 2HB ALA 26 0.516 -13.948 -7.473 183 H VAL 27 H VAL 27 0.357 -10.299 -5.254 184 HA VAL 27 HA VAL 27 -2.180 -10.870 -3.920 185 HB VAL 27 HB VAL 27 -1.641 -9.427 -2.014 186 HG11 VAL 27 1HG1 VAL 27 0.001 -11.866 -2.544 187 HG12 VAL 27 2HG1 VAL 27 0.218 -10.968 -1.040 188 HG13 VAL 27 3HG1 VAL 27 -1.359 -11.647 -1.444 189 HG21 VAL 27 3HG2 VAL 27 1.128 -9.362 -3.210 190 HG22 VAL 27 1HG2 VAL 27 0.026 -7.998 -3.020 191 HG23 VAL 27 2HG2 VAL 27 0.711 -8.784 -1.597 192 H ILE 28 H ILE 28 -3.656 -9.182 -3.971 193 HA ILE 28 HA ILE 28 -2.918 -6.962 -5.754 194 HB ILE 28 HB ILE 28 -5.734 -7.782 -5.086 195 HG12 ILE 28 1HG1 ILE 28 -4.400 -9.708 -6.028 196 HG13 ILE 28 2HG1 ILE 28 -5.789 -9.222 -6.994 197 HG21 ILE 28 1HG2 ILE 28 -5.215 -6.751 -7.734 198 HG22 ILE 28 2HG2 ILE 28 -6.333 -6.174 -6.500 199 HG23 ILE 28 3HG2 ILE 28 -4.653 -5.640 -6.486 200 HD11 ILE 28 3HD1 ILE 28 -3.170 -9.549 -7.854 201 HD12 ILE 28 1HD1 ILE 28 -4.506 -8.832 -8.753 202 HD13 ILE 28 2HD1 ILE 28 -3.423 -7.805 -7.813 203 H VAL 29 H VAL 29 -2.201 -5.375 -4.419 204 HA VAL 29 HA VAL 29 -3.620 -4.731 -1.975 205 HB VAL 29 HB VAL 29 -1.261 -3.349 -3.263 206 HG11 VAL 29 1HG1 VAL 29 -2.652 -2.979 -0.628 207 HG12 VAL 29 2HG1 VAL 29 -0.973 -2.493 -0.873 208 HG13 VAL 29 3HG1 VAL 29 -2.253 -1.768 -1.846 209 HG21 VAL 29 3HG2 VAL 29 -1.515 -5.660 -1.423 210 HG22 VAL 29 1HG2 VAL 29 -0.312 -5.329 -2.668 211 HG23 VAL 29 2HG2 VAL 29 -0.215 -4.511 -1.109 212 H SER 30 H SER 30 -5.530 -3.745 -2.280 213 HA SER 30 HA SER 30 -5.745 -1.629 -4.294 214 HB2 SER 30 1HB SER 30 -8.165 -1.809 -3.966 215 HB3 SER 30 2HB SER 30 -7.472 -3.395 -4.302 216 HG SER 30 HG SER 30 -8.995 -2.824 -2.315 217 H TRP 31 H TRP 31 -6.456 0.449 -3.791 218 HA TRP 31 HA TRP 31 -6.837 1.176 -1.002 219 HB2 TRP 31 1HB TRP 31 -5.102 2.919 -1.056 220 HB3 TRP 31 2HB TRP 31 -4.408 1.314 -1.272 221 HD1 TRP 31 HD TRP 31 -5.018 4.592 -3.138 222 HE1 TRP 31 1HE TRP 31 -3.601 4.595 -5.287 223 HE3 TRP 31 3HE TRP 31 -3.340 -0.236 -3.012 224 HZ2 TRP 31 2HZ TRP 31 -1.986 2.790 -6.737 225 HZ3 TRP 31 3HZ TRP 31 -1.864 -1.019 -4.818 226 HH2 TRP 31 HH TRP 31 -1.202 0.464 -6.641 227 H GLN 32 H GLN 32 -7.043 3.745 -0.958 228 HA GLN 32 HA GLN 32 -8.599 4.582 -3.308 229 HB2 GLN 32 1HB GLN 32 -9.447 4.420 -0.467 230 HB3 GLN 32 2HB GLN 32 -9.971 5.833 -1.374 231 HG2 GLN 32 1HG GLN 32 -11.412 3.631 -1.270 232 HG3 GLN 32 2HG GLN 32 -11.354 4.638 -2.715 233 HE21 GLN 32 1HE2 GLN 32 -10.595 3.798 -4.565 234 HE22 GLN 32 2HE2 GLN 32 -9.964 2.199 -4.733 235 HA PRO 33 HA PRO 33 -6.409 8.379 -3.135 236 HB2 PRO 33 1HB PRO 33 -8.302 10.150 -3.943 237 HB3 PRO 33 2HB PRO 33 -7.539 8.993 -5.040 238 HG2 PRO 33 1HG PRO 33 -10.197 8.836 -3.671 239 HG3 PRO 33 2HG PRO 33 -9.773 8.427 -5.344 240 HD2 PRO 33 1HD PRO 33 -10.066 6.550 -3.414 241 HD3 PRO 33 2HD PRO 33 -8.919 6.368 -4.757 242 HA PRO 34 HA PRO 34 -7.228 10.088 0.875 243 HB2 PRO 34 1HB PRO 34 -5.378 12.073 0.785 244 HB3 PRO 34 2HB PRO 34 -4.954 10.376 1.038 245 HG2 PRO 34 1HG PRO 34 -4.848 12.001 -1.474 246 HG3 PRO 34 2HG PRO 34 -3.666 10.840 -0.842 247 HD2 PRO 34 1HD PRO 34 -5.423 10.209 -2.803 248 HD3 PRO 34 2HD PRO 34 -4.853 9.021 -1.613 249 H LEU 35 H LEU 35 -7.785 12.202 1.848 250 HA LEU 35 HA LEU 35 -9.555 13.673 0.073 251 HB2 LEU 35 1HB LEU 35 -9.212 13.431 3.020 252 HB3 LEU 35 2HB LEU 35 -10.001 14.870 2.378 253 HG LEU 35 HG LEU 35 -11.631 13.203 3.083 254 HD11 LEU 35 1HD1 LEU 35 -12.916 14.005 1.469 255 HD12 LEU 35 2HD1 LEU 35 -12.227 12.848 0.331 256 HD13 LEU 35 3HD1 LEU 35 -11.483 14.434 0.534 257 HD21 LEU 35 3HD2 LEU 35 -11.804 11.050 2.063 258 HD22 LEU 35 1HD2 LEU 35 -10.155 11.233 2.661 259 HD23 LEU 35 2HD2 LEU 35 -10.493 11.416 0.940 260 H GLU 36 H GLU 36 -6.788 14.307 2.196 261 HA GLU 36 HA GLU 36 -6.673 17.087 1.408 262 HB2 GLU 36 1HB GLU 36 -4.613 15.539 2.978 263 HB3 GLU 36 2HB GLU 36 -4.838 17.282 2.933 264 HG2 GLU 36 1HG GLU 36 -7.207 16.705 3.867 265 HG3 GLU 36 2HG GLU 36 -6.426 15.201 4.352 266 H ALA 37 H ALA 37 -6.224 14.724 -0.484 267 HA ALA 37 HA ALA 37 -3.686 14.376 -1.361 268 HB1 ALA 37 3HB ALA 37 -5.643 15.013 -3.490 269 HB2 ALA 37 1HB ALA 37 -4.571 13.624 -3.310 270 HB3 ALA 37 2HB ALA 37 -6.061 13.716 -2.371 271 H ASN 38 H ASN 38 -5.467 17.332 -1.388 272 HA ASN 38 HA ASN 38 -4.985 19.445 -2.084 273 HB2 ASN 38 1HB ASN 38 -2.198 18.347 -1.689 274 HB3 ASN 38 2HB ASN 38 -2.520 20.040 -2.054 275 HD21 ASN 38 1HD2 ASN 38 -1.435 18.537 0.336 276 HD22 ASN 38 2HD2 ASN 38 -2.345 19.157 1.668 277 H GLY 39 H GLY 39 -5.516 17.536 -4.136 278 HA2 GLY 39 1HA GLY 39 -5.510 18.542 -6.461 279 HA3 GLY 39 2HA GLY 39 -3.760 18.503 -6.304 280 H LYS 40 H LYS 40 -6.028 17.068 -7.945 281 HA LYS 40 HA LYS 40 -6.250 14.435 -7.634 282 HB2 LYS 40 1HB LYS 40 -7.114 15.184 -9.644 283 HB3 LYS 40 2HB LYS 40 -5.643 16.044 -10.078 284 HG2 LYS 40 1HG LYS 40 -5.521 13.084 -9.911 285 HG3 LYS 40 2HG LYS 40 -6.367 13.808 -11.281 286 HD2 LYS 40 1HD LYS 40 -3.685 14.878 -10.569 287 HD3 LYS 40 2HD LYS 40 -3.766 13.297 -11.350 288 HE2 LYS 40 1HE LYS 40 -5.415 14.607 -12.965 289 HE3 LYS 40 2HE LYS 40 -4.471 15.985 -12.403 290 HZ1 LYS 40 3HZ LYS 40 -2.562 14.183 -12.991 291 HZ2 LYS 40 1HZ LYS 40 -3.086 15.404 -14.038 292 HZ3 LYS 40 2HZ LYS 40 -3.718 13.841 -14.178 293 H ILE 41 H ILE 41 -5.046 12.606 -7.631 294 HA ILE 41 HA ILE 41 -2.196 12.892 -7.331 295 HB ILE 41 HB ILE 41 -3.860 10.371 -7.345 296 HG12 ILE 41 1HG1 ILE 41 -4.640 11.782 -5.568 297 HG13 ILE 41 2HG1 ILE 41 -3.612 10.549 -4.848 298 HG21 ILE 41 1HG2 ILE 41 -1.382 10.417 -5.806 299 HG22 ILE 41 2HG2 ILE 41 -2.001 9.202 -6.923 300 HG23 ILE 41 3HG2 ILE 41 -1.138 10.610 -7.542 301 HD11 ILE 41 3HD1 ILE 41 -3.120 13.465 -5.187 302 HD12 ILE 41 1HD1 ILE 41 -2.913 12.444 -3.765 303 HD13 ILE 41 2HD1 ILE 41 -1.755 12.353 -5.092 304 H THR 42 H THR 42 -0.659 12.494 -8.795 305 HA THR 42 HA THR 42 -1.497 11.585 -11.451 306 HB THR 42 HB THR 42 0.605 12.498 -12.276 307 HG1 THR 42 1HG THR 42 1.559 12.086 -9.977 308 HG21 THR 42 3HG2 THR 42 -0.032 14.817 -10.686 309 HG22 THR 42 1HG2 THR 42 -1.504 13.984 -11.183 310 HG23 THR 42 2HG2 THR 42 -0.339 14.516 -12.396 311 H ALA 43 H ALA 43 0.361 10.626 -8.708 312 HA ALA 43 HA ALA 43 0.868 8.047 -9.921 313 HB1 ALA 43 3HB ALA 43 3.240 9.481 -8.777 314 HB2 ALA 43 1HB ALA 43 3.198 8.031 -9.781 315 HB3 ALA 43 2HB ALA 43 2.823 9.604 -10.486 316 H TYR 44 H TYR 44 1.255 6.407 -8.414 317 HA TYR 44 HA TYR 44 0.979 7.206 -5.590 318 HB2 TYR 44 1HB TYR 44 -0.396 5.000 -7.108 319 HB3 TYR 44 2HB TYR 44 -0.239 4.950 -5.356 320 HD1 TYR 44 2HD TYR 44 -1.036 7.157 -4.125 321 HD2 TYR 44 1HD TYR 44 -2.291 5.962 -8.011 322 HE1 TYR 44 2HE TYR 44 -3.045 8.558 -3.901 323 HE2 TYR 44 1HE TYR 44 -4.303 7.361 -7.798 324 HH TYR 44 HH TYR 44 -5.672 8.372 -6.101 325 H ILE 45 H ILE 45 2.678 6.643 -4.421 326 HA ILE 45 HA ILE 45 4.398 4.460 -5.359 327 HB ILE 45 HB ILE 45 5.041 6.452 -3.191 328 HG12 ILE 45 1HG1 ILE 45 6.505 7.375 -5.202 329 HG13 ILE 45 2HG1 ILE 45 5.208 6.674 -6.164 330 HG21 ILE 45 1HG2 ILE 45 6.875 4.815 -4.930 331 HG22 ILE 45 2HG2 ILE 45 7.310 5.785 -3.524 332 HG23 ILE 45 3HG2 ILE 45 6.343 4.325 -3.321 333 HD11 ILE 45 3HD1 ILE 45 3.656 8.173 -5.407 334 HD12 ILE 45 1HD1 ILE 45 4.514 8.468 -3.895 335 HD13 ILE 45 2HD1 ILE 45 5.114 9.165 -5.400 336 H LEU 46 H LEU 46 4.157 2.543 -4.439 337 HA LEU 46 HA LEU 46 3.051 2.395 -1.721 338 HB2 LEU 46 1HB LEU 46 1.692 1.126 -3.106 339 HB3 LEU 46 2HB LEU 46 3.050 0.533 -4.060 340 HG LEU 46 HG LEU 46 3.720 -0.829 -2.045 341 HD11 LEU 46 1HD1 LEU 46 2.485 -0.913 -0.163 342 HD12 LEU 46 2HD1 LEU 46 0.961 -0.688 -1.022 343 HD13 LEU 46 3HD1 LEU 46 1.988 0.702 -0.669 344 HD21 LEU 46 3HD2 LEU 46 1.492 -2.300 -2.395 345 HD22 LEU 46 1HD2 LEU 46 2.816 -2.235 -3.558 346 HD23 LEU 46 2HD2 LEU 46 1.384 -1.233 -3.796 347 H PHE 47 H PHE 47 4.024 1.123 -0.135 348 HA PHE 47 HA PHE 47 6.724 0.129 -0.739 349 HB2 PHE 47 1HB PHE 47 6.005 1.633 1.782 350 HB3 PHE 47 2HB PHE 47 7.602 1.077 1.294 351 HD1 PHE 47 1HD PHE 47 4.842 3.165 -0.110 352 HD2 PHE 47 2HD PHE 47 9.027 2.676 0.492 353 HE1 PHE 47 1HE PHE 47 5.250 5.325 -1.215 354 HE2 PHE 47 2HE PHE 47 9.441 4.836 -0.610 355 HZ PHE 47 HZ PHE 47 7.552 6.164 -1.465 356 H TYR 48 H TYR 48 7.227 -1.805 0.130 357 HA TYR 48 HA TYR 48 5.611 -2.879 2.309 358 HB2 TYR 48 1HB TYR 48 5.179 -4.978 1.107 359 HB3 TYR 48 2HB TYR 48 4.442 -3.607 0.284 360 HD1 TYR 48 2HD TYR 48 5.589 -2.663 -1.758 361 HD2 TYR 48 1HD TYR 48 6.742 -6.359 0.007 362 HE1 TYR 48 2HE TYR 48 6.733 -3.294 -3.841 363 HE2 TYR 48 1HE TYR 48 7.890 -7.000 -2.071 364 HH TYR 48 HH TYR 48 7.379 -5.626 -4.953 365 H THR 49 H THR 49 6.657 -4.394 3.559 366 HA THR 49 HA THR 49 9.092 -5.655 2.759 367 HB THR 49 HB THR 49 9.983 -3.408 3.189 368 HG1 THR 49 1HG THR 49 10.919 -4.750 5.425 369 HG21 THR 49 3HG2 THR 49 9.943 -2.480 5.461 370 HG22 THR 49 1HG2 THR 49 8.907 -3.806 5.984 371 HG23 THR 49 2HG2 THR 49 8.316 -2.639 4.802 372 H LEU 50 H LEU 50 9.703 -7.294 4.152 373 HA LEU 50 HA LEU 50 7.694 -8.163 6.006 374 HB2 LEU 50 1HB LEU 50 8.863 -10.176 6.124 375 HB3 LEU 50 2HB LEU 50 9.114 -9.617 4.471 376 HG LEU 50 HG LEU 50 11.173 -9.008 6.546 377 HD11 LEU 50 1HD1 LEU 50 12.085 -11.089 6.587 378 HD12 LEU 50 2HD1 LEU 50 11.433 -11.531 5.009 379 HD13 LEU 50 3HD1 LEU 50 10.387 -11.538 6.429 380 HD21 LEU 50 3HD2 LEU 50 12.555 -9.550 4.389 381 HD22 LEU 50 1HD2 LEU 50 11.739 -7.996 4.563 382 HD23 LEU 50 2HD2 LEU 50 11.013 -9.268 3.579 383 H ASP 51 H ASP 51 10.688 -6.456 6.211 384 HA ASP 51 HA ASP 51 10.645 -6.701 9.146 385 HB2 ASP 51 1HB ASP 51 12.895 -6.228 7.206 386 HB3 ASP 51 2HB ASP 51 13.053 -5.794 8.906 387 H LYS 52 H LYS 52 10.135 -4.962 10.300 388 HA LYS 52 HA LYS 52 9.802 -2.412 8.914 389 HB2 LYS 52 1HB LYS 52 8.418 -1.748 10.750 390 HB3 LYS 52 2HB LYS 52 7.953 -3.384 10.302 391 HG2 LYS 52 1HG LYS 52 9.583 -4.110 12.168 392 HG3 LYS 52 2HG LYS 52 9.437 -2.440 12.718 393 HD2 LYS 52 1HD LYS 52 7.052 -2.672 12.952 394 HD3 LYS 52 2HD LYS 52 7.100 -4.286 12.239 395 HE2 LYS 52 1HE LYS 52 8.608 -4.951 14.151 396 HE3 LYS 52 2HE LYS 52 8.218 -3.398 14.890 397 HZ1 LYS 52 3HZ LYS 52 6.092 -5.269 14.051 398 HZ2 LYS 52 1HZ LYS 52 6.004 -4.000 15.166 399 HZ3 LYS 52 2HZ LYS 52 6.840 -5.416 15.561 400 H ASN 53 H ASN 53 11.898 -3.970 11.134 401 HA ASN 53 HA ASN 53 12.863 -1.911 12.697 402 HB2 ASN 53 1HB ASN 53 14.143 -4.373 11.553 403 HB3 ASN 53 2HB ASN 53 15.112 -3.223 12.470 404 HD21 ASN 53 1HD2 ASN 53 12.901 -5.788 12.609 405 HD22 ASN 53 2HD2 ASN 53 12.684 -5.824 14.323 406 H ILE 54 H ILE 54 13.191 -2.375 9.307 407 HA ILE 54 HA ILE 54 15.445 -0.554 9.068 408 HB ILE 54 HB ILE 54 15.021 -0.890 6.574 409 HG12 ILE 54 1HG1 ILE 54 13.306 -3.162 7.591 410 HG13 ILE 54 2HG1 ILE 54 12.660 -1.677 6.901 411 HG21 ILE 54 1HG2 ILE 54 16.769 -2.038 7.917 412 HG22 ILE 54 2HG2 ILE 54 15.637 -3.364 8.179 413 HG23 ILE 54 3HG2 ILE 54 16.189 -2.987 6.548 414 HD11 ILE 54 3HD1 ILE 54 12.619 -3.025 5.072 415 HD12 ILE 54 1HD1 ILE 54 14.231 -2.333 4.895 416 HD13 ILE 54 2HD1 ILE 54 14.034 -3.947 5.579 417 HA PRO 55 HA PRO 55 13.157 3.124 8.356 418 HB2 PRO 55 1HB PRO 55 14.712 4.374 6.514 419 HB3 PRO 55 2HB PRO 55 15.175 4.213 8.212 420 HG2 PRO 55 1HG PRO 55 16.035 2.585 5.852 421 HG3 PRO 55 2HG PRO 55 17.010 3.211 7.195 422 HD2 PRO 55 1HD PRO 55 16.161 0.642 7.084 423 HD3 PRO 55 2HD PRO 55 16.368 1.514 8.617 424 H ILE 56 H ILE 56 11.472 3.761 7.135 425 HA ILE 56 HA ILE 56 10.272 2.328 5.206 426 HB ILE 56 HB ILE 56 9.304 4.366 6.222 427 HG12 ILE 56 1HG1 ILE 56 8.116 5.151 4.163 428 HG13 ILE 56 2HG1 ILE 56 9.260 4.222 3.201 429 HG21 ILE 56 1HG2 ILE 56 10.656 6.016 4.132 430 HG22 ILE 56 2HG2 ILE 56 9.913 6.517 5.650 431 HG23 ILE 56 3HG2 ILE 56 11.471 5.691 5.661 432 HD11 ILE 56 3HD1 ILE 56 6.877 3.363 4.570 433 HD12 ILE 56 1HD1 ILE 56 7.845 2.529 3.354 434 HD13 ILE 56 2HD1 ILE 56 8.280 2.412 5.059 435 H ASP 57 H ASP 57 13.079 4.319 4.775 436 HA ASP 57 HA ASP 57 12.972 4.545 1.948 437 HB2 ASP 57 1HB ASP 57 15.093 4.925 4.026 438 HB3 ASP 57 2HB ASP 57 15.556 4.868 2.328 439 H ASP 58 H ASP 58 14.752 2.349 4.108 440 HA ASP 58 HA ASP 58 16.022 0.845 2.123 441 HB2 ASP 58 1HB ASP 58 16.217 0.859 4.774 442 HB3 ASP 58 2HB ASP 58 15.125 -0.514 4.621 443 H TRP 59 H TRP 59 12.746 0.852 3.201 444 HA TRP 59 HA TRP 59 11.930 -1.726 2.524 445 HB2 TRP 59 1HB TRP 59 10.387 0.871 2.357 446 HB3 TRP 59 2HB TRP 59 9.665 -0.733 2.264 447 HD1 TRP 59 HD TRP 59 12.448 -0.140 4.791 448 HE1 TRP 59 1HE TRP 59 11.453 -0.227 7.163 449 HE3 TRP 59 3HE TRP 59 7.482 -0.278 3.585 450 HZ2 TRP 59 2HZ TRP 59 8.901 -0.340 8.364 451 HZ3 TRP 59 3HZ TRP 59 5.828 -0.375 5.404 452 HH2 TRP 59 HH TRP 59 6.525 -0.406 7.744 453 H ILE 60 H ILE 60 10.313 -2.129 0.656 454 HA ILE 60 HA ILE 60 11.721 -1.467 -1.813 455 HB ILE 60 HB ILE 60 9.509 -3.459 -1.301 456 HG12 ILE 60 1HG1 ILE 60 12.291 -4.214 -2.075 457 HG13 ILE 60 2HG1 ILE 60 11.994 -3.730 -0.408 458 HG21 ILE 60 1HG2 ILE 60 10.097 -2.297 -3.691 459 HG22 ILE 60 2HG2 ILE 60 11.134 -3.722 -3.723 460 HG23 ILE 60 3HG2 ILE 60 9.394 -3.902 -3.497 461 HD11 ILE 60 3HD1 ILE 60 10.753 -6.019 -1.905 462 HD12 ILE 60 1HD1 ILE 60 11.833 -6.091 -0.513 463 HD13 ILE 60 2HD1 ILE 60 10.194 -5.465 -0.327 464 H MET 61 H MET 61 11.085 0.505 -2.515 465 HA MET 61 HA MET 61 8.325 1.333 -2.407 466 HB2 MET 61 1HB MET 61 10.119 2.969 -2.091 467 HB3 MET 61 2HB MET 61 10.726 2.632 -3.706 468 HG2 MET 61 1HG MET 61 8.164 3.284 -4.261 469 HG3 MET 61 2HG MET 61 8.462 4.284 -2.840 470 HE1 MET 61 3HE MET 61 9.473 3.724 -6.699 471 HE2 MET 61 1HE MET 61 11.100 4.401 -6.611 472 HE3 MET 61 2HE MET 61 10.690 2.967 -5.670 473 H GLU 62 H GLU 62 6.887 1.485 -4.079 474 HA GLU 62 HA GLU 62 7.767 0.553 -6.723 475 HB2 GLU 62 1HB GLU 62 5.657 -0.599 -4.972 476 HB3 GLU 62 2HB GLU 62 5.317 -0.513 -6.694 477 HG2 GLU 62 1HG GLU 62 7.475 -2.034 -5.284 478 HG3 GLU 62 2HG GLU 62 6.223 -2.635 -6.370 479 H THR 63 H THR 63 7.183 1.897 -8.288 480 HA THR 63 HA THR 63 5.410 4.102 -7.716 481 HB THR 63 HB THR 63 6.813 3.400 -10.302 482 HG1 THR 63 1HG THR 63 7.548 5.177 -8.194 483 HG21 THR 63 3HG2 THR 63 4.774 5.238 -9.832 484 HG22 THR 63 1HG2 THR 63 5.860 5.200 -11.220 485 HG23 THR 63 2HG2 THR 63 6.252 6.199 -9.821 486 H ILE 64 H ILE 64 3.387 4.440 -8.497 487 HA ILE 64 HA ILE 64 2.263 2.443 -10.337 488 HB ILE 64 HB ILE 64 0.704 3.502 -7.988 489 HG12 ILE 64 1HG1 ILE 64 1.791 0.716 -8.039 490 HG13 ILE 64 2HG1 ILE 64 2.840 2.026 -7.509 491 HG21 ILE 64 1HG2 ILE 64 -0.435 1.171 -8.609 492 HG22 ILE 64 2HG2 ILE 64 -0.883 2.688 -9.387 493 HG23 ILE 64 3HG2 ILE 64 0.231 1.582 -10.189 494 HD11 ILE 64 3HD1 ILE 64 0.178 1.989 -6.278 495 HD12 ILE 64 1HD1 ILE 64 1.214 0.618 -5.885 496 HD13 ILE 64 2HD1 ILE 64 1.765 2.261 -5.558 497 H SER 65 H SER 65 0.507 3.162 -11.609 498 HA SER 65 HA SER 65 0.668 5.907 -12.359 499 HB2 SER 65 1HB SER 65 -0.844 3.516 -13.286 500 HB3 SER 65 2HB SER 65 -1.490 5.099 -13.719 501 HG SER 65 HG SER 65 1.118 4.118 -14.266 502 H GLY 66 H GLY 66 -0.422 7.586 -11.580 503 HA2 GLY 66 1HA GLY 66 -2.038 7.577 -9.369 504 HA3 GLY 66 2HA GLY 66 -2.092 8.831 -10.599 505 H ASP 67 H ASP 67 -2.972 6.922 -12.671 506 HA ASP 67 HA ASP 67 -5.760 7.249 -12.355 507 HB2 ASP 67 1HB ASP 67 -4.013 5.825 -14.328 508 HB3 ASP 67 2HB ASP 67 -5.753 5.548 -14.357 509 H ARG 68 H ARG 68 -3.581 4.572 -11.738 510 HA ARG 68 HA ARG 68 -5.799 2.786 -11.118 511 HB2 ARG 68 1HB ARG 68 -2.824 2.270 -10.963 512 HB3 ARG 68 2HB ARG 68 -4.101 1.065 -10.852 513 HG2 ARG 68 1HG ARG 68 -4.650 1.276 -13.122 514 HG3 ARG 68 2HG ARG 68 -3.751 2.786 -13.283 515 HD2 ARG 68 1HD ARG 68 -1.687 1.392 -12.671 516 HD3 ARG 68 2HD ARG 68 -2.697 -0.011 -13.019 517 HE ARG 68 HE ARG 68 -1.510 1.769 -14.916 518 HH11 ARG 68 1HH1 ARG 68 -4.211 -0.351 -14.339 519 HH12 ARG 68 2HH1 ARG 68 -4.495 -0.660 -16.020 520 HH21 ARG 68 1HH2 ARG 68 -1.875 1.371 -17.132 521 HH22 ARG 68 2HH2 ARG 68 -3.166 0.319 -17.608 522 H LEU 69 H LEU 69 -6.059 1.787 -9.077 523 HA LEU 69 HA LEU 69 -4.783 3.225 -6.844 524 HB2 LEU 69 1HB LEU 69 -7.619 2.220 -7.024 525 HB3 LEU 69 2HB LEU 69 -6.882 2.928 -5.588 526 HG LEU 69 HG LEU 69 -7.022 4.499 -8.131 527 HD11 LEU 69 1HD1 LEU 69 -9.207 4.757 -6.136 528 HD12 LEU 69 2HD1 LEU 69 -9.295 3.440 -7.305 529 HD13 LEU 69 3HD1 LEU 69 -9.202 5.110 -7.864 530 HD21 LEU 69 3HD2 LEU 69 -6.592 5.005 -5.239 531 HD22 LEU 69 1HD2 LEU 69 -7.423 6.246 -6.177 532 HD23 LEU 69 2HD2 LEU 69 -5.806 5.722 -6.646 533 H THR 70 H THR 70 -4.341 0.557 -8.283 534 HA THR 70 HA THR 70 -4.152 -1.038 -5.826 535 HB THR 70 HB THR 70 -5.014 -2.992 -6.775 536 HG1 THR 70 1HG THR 70 -4.373 -1.738 -9.190 537 HG21 THR 70 3HG2 THR 70 -7.227 -2.453 -7.497 538 HG22 THR 70 1HG2 THR 70 -6.717 -0.865 -8.067 539 HG23 THR 70 2HG2 THR 70 -6.738 -1.216 -6.339 540 H HIS 71 H HIS 71 -2.584 -2.821 -6.001 541 HA HIS 71 HA HIS 71 -0.632 -2.605 -8.148 542 HB2 HIS 71 1HB HIS 71 0.216 -0.967 -6.591 543 HB3 HIS 71 2HB HIS 71 0.047 -2.091 -5.247 544 HD1 HIS 71 1HD HIS 71 2.146 -1.493 -8.321 545 HD2 HIS 71 2HD HIS 71 2.180 -3.788 -4.858 546 HE1 HIS 71 1HE HIS 71 4.429 -2.544 -8.234 547 HE2 HIS 71 2HE HIS 71 4.397 -3.995 -6.175 548 H GLN 72 H GLN 72 0.158 -4.544 -8.679 549 HA GLN 72 HA GLN 72 -0.416 -6.791 -6.878 550 HB2 GLN 72 1HB GLN 72 -1.322 -6.753 -9.252 551 HB3 GLN 72 2HB GLN 72 0.338 -6.963 -9.793 552 HG2 GLN 72 1HG GLN 72 0.425 -9.040 -8.386 553 HG3 GLN 72 2HG GLN 72 -1.312 -8.858 -8.148 554 HE21 GLN 72 1HE2 GLN 72 -2.388 -8.296 -10.425 555 HE22 GLN 72 2HE2 GLN 72 -2.010 -9.447 -11.657 556 H ILE 73 H ILE 73 1.192 -7.753 -5.837 557 HA ILE 73 HA ILE 73 3.947 -7.184 -6.678 558 HB ILE 73 HB ILE 73 2.996 -8.304 -4.040 559 HG12 ILE 73 1HG1 ILE 73 4.008 -5.507 -4.500 560 HG13 ILE 73 2HG1 ILE 73 2.301 -5.897 -4.681 561 HG21 ILE 73 1HG2 ILE 73 5.633 -6.983 -4.467 562 HG22 ILE 73 2HG2 ILE 73 5.165 -8.214 -3.295 563 HG23 ILE 73 3HG2 ILE 73 5.417 -8.655 -4.984 564 HD11 ILE 73 3HD1 ILE 73 2.062 -6.409 -2.419 565 HD12 ILE 73 1HD1 ILE 73 3.803 -6.556 -2.176 566 HD13 ILE 73 2HD1 ILE 73 3.080 -4.969 -2.444 567 H MET 74 H MET 74 5.429 -8.800 -7.044 568 HA MET 74 HA MET 74 4.410 -11.561 -7.003 569 HB2 MET 74 1HB MET 74 6.046 -10.233 -9.169 570 HB3 MET 74 2HB MET 74 5.735 -11.962 -9.086 571 HG2 MET 74 1HG MET 74 3.239 -11.233 -9.033 572 HG3 MET 74 2HG MET 74 3.862 -9.729 -9.707 573 HE1 MET 74 3HE MET 74 4.496 -9.673 -12.657 574 HE2 MET 74 1HE MET 74 5.740 -9.847 -11.419 575 HE3 MET 74 2HE MET 74 5.739 -10.914 -12.822 576 H ASP 75 H ASP 75 5.977 -13.207 -6.692 577 HA ASP 75 HA ASP 75 7.891 -14.153 -5.885 578 HB2 ASP 75 1HB ASP 75 9.265 -11.479 -6.083 579 HB3 ASP 75 2HB ASP 75 9.983 -13.086 -6.158 580 H LEU 76 H LEU 76 6.062 -13.565 -4.068 581 HA LEU 76 HA LEU 76 7.408 -12.118 -1.897 582 HB2 LEU 76 1HB LEU 76 4.563 -12.806 -2.485 583 HB3 LEU 76 2HB LEU 76 5.058 -12.515 -0.818 584 HG LEU 76 HG LEU 76 5.247 -10.559 -3.108 585 HD11 LEU 76 1HD1 LEU 76 3.474 -10.648 -0.672 586 HD12 LEU 76 2HD1 LEU 76 2.973 -10.863 -2.349 587 HD13 LEU 76 3HD1 LEU 76 3.581 -9.300 -1.804 588 HD21 LEU 76 3HD2 LEU 76 6.129 -10.389 -0.237 589 HD22 LEU 76 1HD2 LEU 76 5.841 -8.966 -1.239 590 HD23 LEU 76 2HD2 LEU 76 7.090 -10.125 -1.693 591 H ASN 77 H ASN 77 7.717 -13.057 0.126 592 HA ASN 77 HA ASN 77 8.370 -15.797 0.141 593 HB2 ASN 77 1HB ASN 77 8.274 -13.619 2.169 594 HB3 ASN 77 2HB ASN 77 8.321 -15.277 2.761 595 HD21 ASN 77 1HD2 ASN 77 10.354 -13.571 3.331 596 HD22 ASN 77 2HD2 ASN 77 11.777 -14.035 2.467 597 H LEU 78 H LEU 78 7.500 -17.428 1.645 598 HA LEU 78 HA LEU 78 4.565 -17.265 1.747 599 HB2 LEU 78 1HB LEU 78 6.420 -19.633 1.611 600 HB3 LEU 78 2HB LEU 78 4.683 -19.765 1.882 601 HG LEU 78 HG LEU 78 5.434 -20.219 -0.462 602 HD11 LEU 78 1HD1 LEU 78 3.183 -19.787 -0.353 603 HD12 LEU 78 2HD1 LEU 78 3.719 -18.499 -1.431 604 HD13 LEU 78 3HD1 LEU 78 3.413 -18.154 0.271 605 HD21 LEU 78 3HD2 LEU 78 7.151 -18.317 -0.361 606 HD22 LEU 78 1HD2 LEU 78 5.791 -17.251 -0.717 607 HD23 LEU 78 2HD2 LEU 78 6.236 -18.524 -1.855 608 H ASP 79 H ASP 79 3.511 -17.438 3.637 609 HA ASP 79 HA ASP 79 3.123 -17.559 5.875 610 HB2 ASP 79 1HB ASP 79 4.191 -19.901 5.341 611 HB3 ASP 79 2HB ASP 79 5.552 -19.268 6.264 612 H THR 80 H THR 80 4.475 -15.332 5.060 613 HA THR 80 HA THR 80 6.113 -14.757 7.420 614 HB THR 80 HB THR 80 6.927 -13.944 4.623 615 HG1 THR 80 1HG THR 80 7.413 -16.114 4.933 616 HG21 THR 80 3HG2 THR 80 8.736 -13.722 6.966 617 HG22 THR 80 1HG2 THR 80 7.438 -12.537 6.829 618 HG23 THR 80 2HG2 THR 80 8.617 -12.708 5.529 619 H MET 81 H MET 81 5.406 -12.989 8.411 620 HA MET 81 HA MET 81 3.271 -11.442 7.515 621 HB2 MET 81 1HB MET 81 4.425 -11.709 9.886 622 HB3 MET 81 2HB MET 81 5.250 -10.236 9.394 623 HG2 MET 81 1HG MET 81 3.461 -9.347 10.476 624 HG3 MET 81 2HG MET 81 2.812 -9.441 8.840 625 HE1 MET 81 3HE MET 81 0.689 -9.527 8.824 626 HE2 MET 81 1HE MET 81 0.400 -11.206 8.368 627 HE3 MET 81 2HE MET 81 -0.453 -10.507 9.744 628 H TYR 82 H TYR 82 3.091 -9.744 6.195 629 HA TYR 82 HA TYR 82 5.545 -8.319 5.409 630 HB2 TYR 82 1HB TYR 82 3.468 -9.608 3.722 631 HB3 TYR 82 2HB TYR 82 4.089 -8.056 3.172 632 HD1 TYR 82 1HD TYR 82 6.786 -7.916 3.358 633 HD2 TYR 82 2HD TYR 82 4.510 -11.479 2.883 634 HE1 TYR 82 1HE TYR 82 8.754 -9.039 2.402 635 HE2 TYR 82 2HE TYR 82 6.472 -12.612 1.927 636 HH TYR 82 HH TYR 82 9.350 -11.917 2.276 637 H TYR 83 H TYR 83 5.446 -6.243 5.912 638 HA TYR 83 HA TYR 83 2.948 -5.006 6.636 639 HB2 TYR 83 1HB TYR 83 5.664 -3.702 6.414 640 HB3 TYR 83 2HB TYR 83 4.274 -3.121 7.324 641 HD1 TYR 83 1HD TYR 83 3.354 -5.323 8.868 642 HD2 TYR 83 2HD TYR 83 7.360 -4.317 7.847 643 HE1 TYR 83 1HE TYR 83 4.156 -6.519 10.862 644 HE2 TYR 83 2HE TYR 83 8.173 -5.512 9.837 645 HH TYR 83 HH TYR 83 6.791 -7.683 11.372 646 H PHE 84 H PHE 84 2.030 -3.162 5.672 647 HA PHE 84 HA PHE 84 2.927 -2.594 2.927 648 HB2 PHE 84 1HB PHE 84 0.122 -3.127 3.901 649 HB3 PHE 84 2HB PHE 84 0.452 -2.305 2.380 650 HD1 PHE 84 1HD PHE 84 1.598 -3.506 0.552 651 HD2 PHE 84 2HD PHE 84 0.372 -5.474 4.121 652 HE1 PHE 84 1HE PHE 84 1.821 -5.682 -0.575 653 HE2 PHE 84 2HE PHE 84 0.594 -7.653 3.000 654 HZ PHE 84 HZ PHE 84 1.320 -7.759 0.650 655 H ARG 85 H ARG 85 2.928 -0.488 2.318 656 HA ARG 85 HA ARG 85 1.502 1.512 3.844 657 HB2 ARG 85 1HB ARG 85 4.522 1.430 3.795 658 HB3 ARG 85 2HB ARG 85 3.585 2.835 4.283 659 HG2 ARG 85 1HG ARG 85 2.514 1.330 6.024 660 HG3 ARG 85 2HG ARG 85 3.789 0.170 5.645 661 HD2 ARG 85 1HD ARG 85 4.809 1.282 7.350 662 HD3 ARG 85 2HD ARG 85 5.319 2.303 6.006 663 HE ARG 85 HE ARG 85 2.852 3.115 7.261 664 HH11 ARG 85 1HH1 ARG 85 6.321 3.403 7.245 665 HH12 ARG 85 2HH1 ARG 85 6.328 4.939 8.047 666 HH21 ARG 85 1HH2 ARG 85 2.848 5.137 8.317 667 HH22 ARG 85 2HH2 ARG 85 4.352 5.924 8.657 668 H ILE 86 H ILE 86 0.537 2.516 2.197 669 HA ILE 86 HA ILE 86 2.171 3.244 -0.145 670 HB ILE 86 HB ILE 86 0.278 1.736 -0.653 671 HG12 ILE 86 1HG1 ILE 86 -0.120 4.522 -1.763 672 HG13 ILE 86 2HG1 ILE 86 1.131 3.406 -2.300 673 HG21 ILE 86 1HG2 ILE 86 -1.870 3.599 -0.475 674 HG22 ILE 86 2HG2 ILE 86 -1.712 2.016 0.285 675 HG23 ILE 86 3HG2 ILE 86 -1.110 3.453 1.109 676 HD11 ILE 86 3HD1 ILE 86 -1.001 1.842 -2.636 677 HD12 ILE 86 1HD1 ILE 86 -1.767 3.416 -2.844 678 HD13 ILE 86 2HD1 ILE 86 -0.414 2.950 -3.875 679 H GLN 87 H GLN 87 1.559 5.288 -1.215 680 HA GLN 87 HA GLN 87 0.233 7.256 0.470 681 HB2 GLN 87 1HB GLN 87 2.182 8.842 0.148 682 HB3 GLN 87 2HB GLN 87 2.439 7.528 1.288 683 HG2 GLN 87 1HG GLN 87 3.547 6.280 -0.615 684 HG3 GLN 87 2HG GLN 87 3.518 7.806 -1.498 685 HE21 GLN 87 1HE2 GLN 87 4.080 9.598 0.487 686 HE22 GLN 87 2HE2 GLN 87 5.680 9.330 1.082 687 H ALA 88 H ALA 88 0.325 9.481 -0.729 688 HA ALA 88 HA ALA 88 -0.257 8.946 -3.568 689 HB1 ALA 88 3HB ALA 88 -1.970 10.519 -3.520 690 HB2 ALA 88 1HB ALA 88 -2.120 9.706 -1.962 691 HB3 ALA 88 2HB ALA 88 -1.352 11.291 -2.060 692 H ARG 89 H ARG 89 0.528 10.318 -5.140 693 HA ARG 89 HA ARG 89 2.264 12.522 -4.288 694 HB2 ARG 89 1HB ARG 89 3.856 10.805 -4.597 695 HB3 ARG 89 2HB ARG 89 3.041 10.195 -6.031 696 HG2 ARG 89 1HG ARG 89 3.638 12.376 -7.149 697 HG3 ARG 89 2HG ARG 89 4.673 12.701 -5.757 698 HD2 ARG 89 1HD ARG 89 6.097 10.923 -6.250 699 HD3 ARG 89 2HD ARG 89 4.906 10.134 -7.283 700 HE ARG 89 HE ARG 89 5.399 12.450 -8.581 701 HH11 ARG 89 1HH1 ARG 89 7.455 9.945 -7.310 702 HH12 ARG 89 2HH1 ARG 89 8.692 10.175 -8.501 703 HH21 ARG 89 1HH2 ARG 89 7.020 12.763 -10.155 704 HH22 ARG 89 2HH2 ARG 89 8.444 11.779 -10.118 705 H ASN 90 H ASN 90 1.972 14.313 -5.455 706 HA ASN 90 HA ASN 90 0.515 14.073 -8.005 707 HB2 ASN 90 1HB ASN 90 -0.206 16.466 -7.509 708 HB3 ASN 90 2HB ASN 90 -0.901 15.215 -6.482 709 HD21 ASN 90 1HD2 ASN 90 -1.328 16.725 -4.864 710 HD22 ASN 90 2HD2 ASN 90 -0.074 17.360 -3.858 711 H SER 91 H SER 91 0.888 16.043 -9.454 712 HA SER 91 HA SER 91 3.391 16.088 -10.478 713 HB2 SER 91 1HB SER 91 1.459 18.418 -10.378 714 HB3 SER 91 2HB SER 91 2.852 18.314 -11.454 715 HG SER 91 HG SER 91 1.433 16.073 -11.686 716 H LYS 92 H LYS 92 2.343 17.645 -7.584 717 HA LYS 92 HA LYS 92 4.604 19.430 -7.406 718 HB2 LYS 92 1HB LYS 92 2.532 18.666 -5.339 719 HB3 LYS 92 2HB LYS 92 3.717 19.954 -5.164 720 HG2 LYS 92 1HG LYS 92 2.685 21.284 -6.783 721 HG3 LYS 92 2HG LYS 92 1.756 19.930 -7.430 722 HD2 LYS 92 1HD LYS 92 1.331 20.670 -4.584 723 HD3 LYS 92 2HD LYS 92 0.671 21.743 -5.822 724 HE2 LYS 92 1HE LYS 92 0.182 18.771 -5.750 725 HE3 LYS 92 2HE LYS 92 -0.893 19.954 -5.005 726 HZ1 LYS 92 3HZ LYS 92 -1.813 19.594 -7.087 727 HZ2 LYS 92 1HZ LYS 92 -0.314 19.537 -7.869 728 HZ3 LYS 92 2HZ LYS 92 -0.924 21.015 -7.316 729 H GLY 93 H GLY 93 3.486 16.956 -5.093 730 HA2 GLY 93 1HA GLY 93 6.048 15.633 -5.097 731 HA3 GLY 93 2HA GLY 93 5.764 16.599 -3.657 732 H VAL 94 H VAL 94 5.925 14.577 -2.491 733 HA VAL 94 HA VAL 94 3.386 13.081 -2.552 734 HB VAL 94 HB VAL 94 5.264 11.719 -3.441 735 HG11 VAL 94 1HG1 VAL 94 7.016 10.953 -1.924 736 HG12 VAL 94 2HG1 VAL 94 7.067 12.706 -2.116 737 HG13 VAL 94 3HG1 VAL 94 6.382 11.998 -0.653 738 HG21 VAL 94 3HG2 VAL 94 4.966 9.870 -1.574 739 HG22 VAL 94 1HG2 VAL 94 3.730 10.990 -1.001 740 HG23 VAL 94 2HG2 VAL 94 3.636 10.332 -2.635 741 H GLY 95 H GLY 95 2.513 12.472 -0.574 742 HA2 GLY 95 1HA GLY 95 3.564 13.975 1.714 743 HA3 GLY 95 2HA GLY 95 1.936 13.331 1.564 744 HA PRO 96 HA PRO 96 4.162 10.539 4.456 745 HB2 PRO 96 1HB PRO 96 2.008 10.135 6.059 746 HB3 PRO 96 2HB PRO 96 3.094 11.519 6.238 747 HG2 PRO 96 1HG PRO 96 0.425 11.367 4.891 748 HG3 PRO 96 2HG PRO 96 1.068 12.626 5.962 749 HD2 PRO 96 1HD PRO 96 1.022 12.889 3.267 750 HD3 PRO 96 2HD PRO 96 2.292 13.612 4.276 751 H LEU 97 H LEU 97 3.190 8.357 5.375 752 HA LEU 97 HA LEU 97 1.817 7.019 3.138 753 HB2 LEU 97 1HB LEU 97 3.695 5.714 5.091 754 HB3 LEU 97 2HB LEU 97 3.057 5.042 3.591 755 HG LEU 97 HG LEU 97 4.376 7.114 2.563 756 HD11 LEU 97 1HD1 LEU 97 5.042 7.667 5.021 757 HD12 LEU 97 2HD1 LEU 97 6.233 7.809 3.729 758 HD13 LEU 97 3HD1 LEU 97 6.238 6.393 4.780 759 HD21 LEU 97 3HD2 LEU 97 5.282 4.363 3.296 760 HD22 LEU 97 1HD2 LEU 97 6.400 5.475 2.505 761 HD23 LEU 97 2HD2 LEU 97 4.888 5.033 1.712 762 H SER 98 H SER 98 0.740 4.917 3.860 763 HA SER 98 HA SER 98 -1.038 5.569 6.052 764 HB2 SER 98 1HB SER 98 -1.079 3.110 4.292 765 HB3 SER 98 2HB SER 98 -2.398 3.740 5.278 766 HG SER 98 HG SER 98 -1.618 4.448 2.771 767 H ASP 99 H ASP 99 -1.670 3.795 7.590 768 HA ASP 99 HA ASP 99 0.547 3.009 9.118 769 HB2 ASP 99 1HB ASP 99 -0.988 2.003 10.593 770 HB3 ASP 99 2HB ASP 99 -1.889 3.329 9.862 771 HA PRO 100 HA PRO 100 1.891 -0.726 7.230 772 HB2 PRO 100 1HB PRO 100 2.988 -1.958 9.386 773 HB3 PRO 100 2HB PRO 100 3.741 -0.575 8.583 774 HG2 PRO 100 1HG PRO 100 2.086 -0.648 11.076 775 HG3 PRO 100 2HG PRO 100 3.578 0.253 10.750 776 HD2 PRO 100 1HD PRO 100 1.130 1.404 10.648 777 HD3 PRO 100 2HD PRO 100 2.471 1.919 9.604 778 H ILE 101 H ILE 101 0.197 -1.973 6.589 779 HA ILE 101 HA ILE 101 -1.564 -3.245 8.480 780 HB ILE 101 HB ILE 101 -1.334 -3.611 5.490 781 HG12 ILE 101 1HG1 ILE 101 -3.165 -1.911 7.193 782 HG13 ILE 101 2HG1 ILE 101 -1.972 -1.344 6.029 783 HG21 ILE 101 1HG2 ILE 101 -2.355 -5.530 6.683 784 HG22 ILE 101 2HG2 ILE 101 -3.574 -4.433 7.331 785 HG23 ILE 101 3HG2 ILE 101 -3.471 -4.709 5.592 786 HD11 ILE 101 3HD1 ILE 101 -4.269 -1.194 5.190 787 HD12 ILE 101 1HD1 ILE 101 -3.264 -2.262 4.210 788 HD13 ILE 101 2HD1 ILE 101 -4.427 -2.943 5.348 789 H LEU 102 H LEU 102 -1.548 -5.316 9.172 790 HA LEU 102 HA LEU 102 0.810 -6.911 8.509 791 HB2 LEU 102 1HB LEU 102 -1.083 -6.776 10.787 792 HB3 LEU 102 2HB LEU 102 -0.348 -8.340 10.437 793 HG LEU 102 HG LEU 102 1.894 -7.107 10.569 794 HD11 LEU 102 1HD1 LEU 102 0.865 -4.841 10.462 795 HD12 LEU 102 2HD1 LEU 102 1.964 -5.073 11.821 796 HD13 LEU 102 3HD1 LEU 102 0.220 -5.111 12.081 797 HD21 LEU 102 3HD2 LEU 102 1.948 -7.318 13.010 798 HD22 LEU 102 1HD2 LEU 102 1.132 -8.686 12.254 799 HD23 LEU 102 2HD2 LEU 102 0.186 -7.420 13.037 800 H PHE 103 H PHE 103 0.480 -8.076 6.706 801 HA PHE 103 HA PHE 103 -1.833 -9.888 6.686 802 HB2 PHE 103 1HB PHE 103 -2.486 -8.273 5.097 803 HB3 PHE 103 2HB PHE 103 -0.855 -8.125 4.451 804 HD1 PHE 103 2HD PHE 103 0.054 -9.855 2.970 805 HD2 PHE 103 1HD PHE 103 -3.969 -9.986 4.355 806 HE1 PHE 103 2HE PHE 103 -0.494 -11.488 1.213 807 HE2 PHE 103 1HE PHE 103 -4.523 -11.620 2.601 808 HZ PHE 103 HZ PHE 103 -2.785 -12.372 1.026 809 H ARG 104 H ARG 104 -1.061 -11.882 6.830 810 HA ARG 104 HA ARG 104 1.624 -12.538 6.045 811 HB2 ARG 104 1HB ARG 104 0.074 -13.520 7.966 812 HB3 ARG 104 2HB ARG 104 -0.373 -14.652 6.697 813 HG2 ARG 104 1HG ARG 104 1.360 -15.807 7.565 814 HG3 ARG 104 2HG ARG 104 2.276 -14.790 6.452 815 HD2 ARG 104 1HD ARG 104 2.735 -13.214 8.254 816 HD3 ARG 104 2HD ARG 104 1.788 -14.199 9.369 817 HE ARG 104 HE ARG 104 3.990 -15.568 8.091 818 HH11 ARG 104 1HH1 ARG 104 2.916 -13.715 10.836 819 HH12 ARG 104 2HH1 ARG 104 4.176 -14.287 11.879 820 HH21 ARG 104 1HH2 ARG 104 5.653 -16.328 9.454 821 HH22 ARG 104 2HH2 ARG 104 5.733 -15.772 11.092 822 H THR 105 H THR 105 2.258 -14.016 4.445 823 HA THR 105 HA THR 105 0.512 -14.032 2.119 824 HB THR 105 HB THR 105 2.647 -15.215 1.126 825 HG1 THR 105 1HG THR 105 3.513 -15.219 3.429 826 HG21 THR 105 3HG2 THR 105 2.697 -13.244 0.091 827 HG22 THR 105 1HG2 THR 105 3.558 -12.560 1.469 828 HG23 THR 105 2HG2 THR 105 1.796 -12.502 1.413 829 H LEU 106 H LEU 106 -0.115 -15.890 0.999 830 HA LEU 106 HA LEU 106 -1.044 -18.034 2.412 831 HB2 LEU 106 1HB LEU 106 -0.403 -17.560 -0.436 832 HB3 LEU 106 2HB LEU 106 -0.644 -19.236 0.051 833 HG LEU 106 HG LEU 106 -2.640 -16.990 0.336 834 HD11 LEU 106 1HD1 LEU 106 -3.815 -18.850 -1.214 835 HD12 LEU 106 2HD1 LEU 106 -2.135 -19.047 -1.711 836 HD13 LEU 106 3HD1 LEU 106 -2.914 -17.472 -1.847 837 HD21 LEU 106 3HD2 LEU 106 -2.410 -19.495 1.707 838 HD22 LEU 106 1HD2 LEU 106 -3.840 -19.510 0.674 839 HD23 LEU 106 2HD2 LEU 106 -3.636 -18.237 1.878 840 H LYS 107 H LYS 107 -0.385 -20.375 2.151 841 HA LYS 107 HA LYS 107 2.542 -20.658 2.326 842 HB2 LYS 107 1HB LYS 107 0.506 -22.100 4.035 843 HB3 LYS 107 2HB LYS 107 2.253 -22.288 4.119 844 HG2 LYS 107 1HG LYS 107 1.956 -20.850 5.847 845 HG3 LYS 107 2HG LYS 107 2.148 -19.678 4.541 846 HD2 LYS 107 1HD LYS 107 0.259 -18.942 5.717 847 HD3 LYS 107 2HD LYS 107 -0.399 -19.788 4.314 848 HE2 LYS 107 1HE LYS 107 -1.692 -20.684 5.977 849 HE3 LYS 107 2HE LYS 107 -0.366 -21.845 5.952 850 HZ1 LYS 107 3HZ LYS 107 -0.000 -19.564 7.705 851 HZ2 LYS 107 1HZ LYS 107 0.351 -21.199 7.965 852 HZ3 LYS 107 2HZ LYS 107 -1.231 -20.633 8.159 853 H VAL 108 H VAL 108 3.011 -21.652 0.449 854 HA VAL 108 HA VAL 108 1.299 -23.619 -0.740 855 HB VAL 108 HB VAL 108 3.129 -23.922 -2.374 856 HG11 VAL 108 1HG1 VAL 108 2.952 -21.762 -3.393 857 HG12 VAL 108 2HG1 VAL 108 1.425 -22.111 -2.581 858 HG13 VAL 108 3HG1 VAL 108 2.585 -21.005 -1.843 859 HG21 VAL 108 3HG2 VAL 108 4.603 -22.323 -0.353 860 HG22 VAL 108 1HG2 VAL 108 5.158 -23.649 -1.376 861 HG23 VAL 108 2HG2 VAL 108 4.966 -22.032 -2.055 862 H SER 109 H SER 109 4.423 -23.701 0.943 863 HA SER 109 HA SER 109 4.315 -26.629 0.973 864 HB2 SER 109 1HB SER 109 6.568 -24.804 1.841 865 HB3 SER 109 2HB SER 109 6.650 -26.555 1.649 866 HG SER 109 HG SER 109 6.599 -26.342 -0.502 867 H GLY 110 H GLY 110 2.710 -26.922 2.544 868 HA2 GLY 110 1HA GLY 110 3.336 -25.919 5.241 869 HA3 GLY 110 2HA GLY 110 1.756 -26.469 4.704 870 HA PRO 111 HA PRO 111 4.526 -29.912 6.641 871 HB2 PRO 111 1HB PRO 111 4.006 -29.613 9.288 872 HB3 PRO 111 2HB PRO 111 5.382 -28.846 8.487 873 HG2 PRO 111 1HG PRO 111 2.721 -27.681 9.210 874 HG3 PRO 111 2HG PRO 111 4.337 -26.971 9.382 875 HD2 PRO 111 1HD PRO 111 2.671 -26.326 7.347 876 HD3 PRO 111 2HD PRO 111 4.437 -26.350 7.164 877 H SER 112 H SER 112 1.401 -28.909 6.372 878 HA SER 112 HA SER 112 -0.561 -30.075 6.260 879 HB2 SER 112 1HB SER 112 1.017 -32.031 5.698 880 HB3 SER 112 2HB SER 112 0.823 -32.504 7.386 881 HG SER 112 HG SER 112 -1.400 -32.684 7.031 882 H SER 113 H SER 113 -0.165 -28.446 8.366 883 HA SER 113 HA SER 113 -0.423 -29.618 10.915 884 HB2 SER 113 1HB SER 113 0.247 -27.298 10.684 885 HB3 SER 113 2HB SER 113 -1.287 -26.895 9.913 886 HG SER 113 HG SER 113 -2.333 -27.360 11.859 887 H GLY 114 H GLY 114 -2.890 -28.232 8.744 888 HA2 GLY 114 1HA GLY 114 -4.991 -29.402 10.411 889 HA3 GLY 114 2HA GLY 114 -5.225 -28.252 9.102 Start of MODEL 2 1 H1 GLY 1 H GLY 1 6.351 35.050 -5.870 2 HA2 GLY 1 1HA GLY 1 8.196 34.642 -8.054 3 HA3 GLY 1 2HA GLY 1 8.680 33.851 -6.561 4 H SER 2 H SER 2 8.093 32.493 -8.962 5 HA SER 2 HA SER 2 5.429 31.411 -8.780 6 HB2 SER 2 1HB SER 2 6.229 29.872 -10.590 7 HB3 SER 2 2HB SER 2 6.425 31.583 -10.973 8 HG SER 2 HG SER 2 8.273 29.809 -11.112 9 H SER 3 H SER 3 5.266 30.476 -6.748 10 HA SER 3 HA SER 3 6.406 27.828 -6.534 11 HB2 SER 3 1HB SER 3 8.010 29.596 -5.454 12 HB3 SER 3 2HB SER 3 6.825 29.598 -4.148 13 HG SER 3 HG SER 3 8.748 27.969 -4.299 14 H GLY 4 H GLY 4 4.589 26.708 -6.237 15 HA2 GLY 4 1HA GLY 4 2.841 27.501 -4.008 16 HA3 GLY 4 2HA GLY 4 2.132 27.173 -5.582 17 H SER 5 H SER 5 3.661 24.976 -6.358 18 HA SER 5 HA SER 5 2.295 22.823 -5.494 19 HB2 SER 5 1HB SER 5 5.184 23.027 -6.330 20 HB3 SER 5 2HB SER 5 4.435 21.472 -5.969 21 HG SER 5 HG SER 5 3.993 21.657 -8.053 22 H SER 6 H SER 6 1.994 21.789 -3.641 23 HA SER 6 HA SER 6 4.087 21.951 -1.576 24 HB2 SER 6 1HB SER 6 1.169 22.542 -1.381 25 HB3 SER 6 2HB SER 6 1.949 21.767 -0.003 26 HG SER 6 HG SER 6 3.589 23.610 -0.507 27 H GLY 7 H GLY 7 1.418 20.129 -2.973 28 HA2 GLY 7 1HA GLY 7 1.504 17.781 -3.300 29 HA3 GLY 7 2HA GLY 7 2.671 17.668 -1.991 30 HA PRO 8 HA PRO 8 -1.751 16.626 -0.607 31 HB2 PRO 8 1HB PRO 8 -1.427 13.946 -0.318 32 HB3 PRO 8 2HB PRO 8 -1.983 14.690 -1.822 33 HG2 PRO 8 1HG PRO 8 0.757 13.740 -1.078 34 HG3 PRO 8 2HG PRO 8 -0.123 13.535 -2.604 35 HD2 PRO 8 1HD PRO 8 1.795 15.417 -2.270 36 HD3 PRO 8 2HD PRO 8 0.394 15.659 -3.333 37 H THR 9 H THR 9 -2.194 16.608 1.528 38 HA THR 9 HA THR 9 0.038 16.078 3.367 39 HB THR 9 HB THR 9 -1.210 17.433 5.013 40 HG1 THR 9 1HG THR 9 -3.322 17.209 4.340 41 HG21 THR 9 3HG2 THR 9 0.295 18.329 2.946 42 HG22 THR 9 1HG2 THR 9 -0.337 19.363 4.227 43 HG23 THR 9 2HG2 THR 9 -1.191 19.243 2.688 44 H SER 10 H SER 10 -1.905 14.110 2.167 45 HA SER 10 HA SER 10 -2.484 12.715 4.642 46 HB2 SER 10 1HB SER 10 -4.527 14.070 4.218 47 HB3 SER 10 2HB SER 10 -4.699 13.272 2.654 48 HG SER 10 HG SER 10 -5.014 11.325 3.712 49 H ALA 11 H ALA 11 -2.655 10.488 4.397 50 HA ALA 11 HA ALA 11 -1.607 9.471 1.879 51 HB1 ALA 11 3HB ALA 11 -2.059 7.413 3.815 52 HB2 ALA 11 1HB ALA 11 -0.535 8.019 3.166 53 HB3 ALA 11 2HB ALA 11 -1.257 8.783 4.582 54 HA PRO 12 HA PRO 12 -5.244 7.525 0.381 55 HB2 PRO 12 1HB PRO 12 -4.438 5.014 -0.264 56 HB3 PRO 12 2HB PRO 12 -3.956 6.444 -1.185 57 HG2 PRO 12 1HG PRO 12 -2.437 4.939 0.911 58 HG3 PRO 12 2HG PRO 12 -1.864 5.591 -0.636 59 HD2 PRO 12 1HD PRO 12 -1.432 6.846 1.724 60 HD3 PRO 12 2HD PRO 12 -1.653 7.729 0.200 61 H LYS 13 H LYS 13 -6.828 5.787 0.688 62 HA LYS 13 HA LYS 13 -6.613 4.475 3.315 63 HB2 LYS 13 1HB LYS 13 -9.113 4.863 3.519 64 HB3 LYS 13 2HB LYS 13 -8.092 6.283 3.705 65 HG2 LYS 13 1HG LYS 13 -8.553 6.864 1.340 66 HG3 LYS 13 2HG LYS 13 -9.677 5.504 1.267 67 HD2 LYS 13 1HD LYS 13 -11.057 6.495 2.980 68 HD3 LYS 13 2HD LYS 13 -9.890 7.799 3.215 69 HE2 LYS 13 1HE LYS 13 -10.449 8.834 1.231 70 HE3 LYS 13 2HE LYS 13 -11.059 7.347 0.506 71 HZ1 LYS 13 3HZ LYS 13 -13.034 7.486 1.735 72 HZ2 LYS 13 1HZ LYS 13 -12.764 9.060 1.175 73 HZ3 LYS 13 2HZ LYS 13 -12.418 8.663 2.782 74 H ASP 14 H ASP 14 -8.792 2.966 3.411 75 HA ASP 14 HA ASP 14 -9.626 0.956 2.745 76 HB2 ASP 14 1HB ASP 14 -10.606 2.617 1.025 77 HB3 ASP 14 2HB ASP 14 -9.436 1.926 -0.096 78 H LEU 15 H LEU 15 -6.731 1.267 2.908 79 HA LEU 15 HA LEU 15 -5.528 -0.171 0.755 80 HB2 LEU 15 1HB LEU 15 -4.324 1.422 2.229 81 HB3 LEU 15 2HB LEU 15 -4.486 0.267 3.549 82 HG LEU 15 HG LEU 15 -3.127 -1.345 2.242 83 HD11 LEU 15 1HD1 LEU 15 -3.316 0.825 0.254 84 HD12 LEU 15 2HD1 LEU 15 -3.154 -0.916 0.028 85 HD13 LEU 15 3HD1 LEU 15 -1.738 0.056 0.423 86 HD21 LEU 15 3HD2 LEU 15 -2.105 1.301 3.145 87 HD22 LEU 15 1HD2 LEU 15 -0.994 0.192 2.339 88 HD23 LEU 15 2HD2 LEU 15 -1.825 -0.308 3.812 89 H THR 16 H THR 16 -6.258 -2.186 0.391 90 HA THR 16 HA THR 16 -6.146 -4.086 2.641 91 HB THR 16 HB THR 16 -8.114 -4.191 0.347 92 HG1 THR 16 1HG THR 16 -8.848 -3.813 3.038 93 HG21 THR 16 3HG2 THR 16 -7.385 -6.044 2.536 94 HG22 THR 16 1HG2 THR 16 -8.026 -6.385 0.929 95 HG23 THR 16 2HG2 THR 16 -9.107 -5.846 2.214 96 H VAL 17 H VAL 17 -5.170 -6.027 2.271 97 HA VAL 17 HA VAL 17 -4.075 -6.466 -0.432 98 HB VAL 17 HB VAL 17 -2.764 -7.017 2.231 99 HG11 VAL 17 1HG1 VAL 17 -0.924 -7.994 1.030 100 HG12 VAL 17 2HG1 VAL 17 -2.405 -8.849 0.593 101 HG13 VAL 17 3HG1 VAL 17 -1.707 -7.668 -0.516 102 HG21 VAL 17 3HG2 VAL 17 -2.712 -4.790 0.473 103 HG22 VAL 17 1HG2 VAL 17 -1.792 -5.041 1.956 104 HG23 VAL 17 2HG2 VAL 17 -1.133 -5.571 0.409 105 H ILE 18 H ILE 18 -4.562 -8.349 -1.356 106 HA ILE 18 HA ILE 18 -5.339 -10.613 0.348 107 HB ILE 18 HB ILE 18 -7.113 -11.197 -1.308 108 HG12 ILE 18 1HG1 ILE 18 -6.929 -8.344 -2.249 109 HG13 ILE 18 2HG1 ILE 18 -6.063 -9.635 -3.075 110 HG21 ILE 18 1HG2 ILE 18 -7.613 -10.103 0.840 111 HG22 ILE 18 2HG2 ILE 18 -7.489 -8.532 0.049 112 HG23 ILE 18 3HG2 ILE 18 -8.760 -9.659 -0.423 113 HD11 ILE 18 3HD1 ILE 18 -9.036 -9.379 -2.716 114 HD12 ILE 18 1HD1 ILE 18 -8.118 -9.243 -4.215 115 HD13 ILE 18 2HD1 ILE 18 -8.235 -10.798 -3.391 116 H THR 19 H THR 19 -4.842 -12.645 -0.447 117 HA THR 19 HA THR 19 -2.688 -12.740 -2.339 118 HB THR 19 HB THR 19 -2.770 -14.222 -0.349 119 HG1 THR 19 1HG THR 19 -2.528 -15.208 -2.971 120 HG21 THR 19 3HG2 THR 19 -5.260 -14.648 -0.557 121 HG22 THR 19 1HG2 THR 19 -4.264 -16.059 -0.200 122 HG23 THR 19 2HG2 THR 19 -4.865 -15.794 -1.837 123 H ARG 20 H ARG 20 -2.790 -13.113 -4.456 124 HA ARG 20 HA ARG 20 -5.164 -13.161 -5.898 125 HB2 ARG 20 1HB ARG 20 -2.332 -13.881 -6.563 126 HB3 ARG 20 2HB ARG 20 -3.606 -14.177 -7.739 127 HG2 ARG 20 1HG ARG 20 -4.191 -11.654 -7.186 128 HG3 ARG 20 2HG ARG 20 -2.479 -11.618 -6.762 129 HD2 ARG 20 1HD ARG 20 -2.786 -10.978 -9.082 130 HD3 ARG 20 2HD ARG 20 -1.924 -12.513 -8.979 131 HE ARG 20 HE ARG 20 -4.680 -13.007 -9.241 132 HH11 ARG 20 1HH1 ARG 20 -1.967 -11.824 -11.074 133 HH12 ARG 20 2HH1 ARG 20 -2.607 -12.337 -12.600 134 HH21 ARG 20 1HH2 ARG 20 -5.534 -13.687 -11.244 135 HH22 ARG 20 2HH2 ARG 20 -4.636 -13.395 -12.696 136 H GLU 21 H GLU 21 -6.198 -14.817 -7.111 137 HA GLU 21 HA GLU 21 -6.290 -17.340 -5.698 138 HB2 GLU 21 1HB GLU 21 -8.281 -17.779 -6.881 139 HB3 GLU 21 2HB GLU 21 -8.317 -16.053 -6.551 140 HG2 GLU 21 1HG GLU 21 -9.027 -16.254 -8.761 141 HG3 GLU 21 2HG GLU 21 -7.344 -15.743 -8.876 142 H GLY 22 H GLY 22 -4.861 -16.070 -8.560 143 HA2 GLY 22 1HA GLY 22 -4.480 -18.718 -9.737 144 HA3 GLY 22 2HA GLY 22 -4.042 -17.182 -10.470 145 H LYS 23 H LYS 23 -2.815 -16.534 -7.701 146 HA LYS 23 HA LYS 23 -0.530 -18.301 -7.612 147 HB2 LYS 23 1HB LYS 23 -0.209 -15.411 -8.442 148 HB3 LYS 23 2HB LYS 23 1.113 -16.485 -8.006 149 HG2 LYS 23 1HG LYS 23 0.471 -17.963 -9.886 150 HG3 LYS 23 2HG LYS 23 -0.750 -16.776 -10.353 151 HD2 LYS 23 1HD LYS 23 1.039 -15.088 -10.601 152 HD3 LYS 23 2HD LYS 23 2.233 -16.332 -10.223 153 HE2 LYS 23 1HE LYS 23 1.920 -17.427 -12.225 154 HE3 LYS 23 2HE LYS 23 0.283 -16.807 -12.429 155 HZ1 LYS 23 3HZ LYS 23 1.205 -14.631 -12.921 156 HZ2 LYS 23 1HZ LYS 23 1.820 -15.789 -13.989 157 HZ3 LYS 23 2HZ LYS 23 2.777 -15.220 -12.716 158 HA PRO 24 HA PRO 24 -1.018 -17.028 -3.391 159 HB2 PRO 24 1HB PRO 24 1.104 -18.402 -2.401 160 HB3 PRO 24 2HB PRO 24 -0.422 -19.178 -2.843 161 HG2 PRO 24 1HG PRO 24 2.134 -19.003 -4.393 162 HG3 PRO 24 2HG PRO 24 1.050 -20.390 -4.174 163 HD2 PRO 24 1HD PRO 24 1.040 -18.873 -6.417 164 HD3 PRO 24 2HD PRO 24 -0.424 -19.652 -5.784 165 H ARG 25 H ARG 25 2.299 -17.115 -4.711 166 HA ARG 25 HA ARG 25 3.403 -15.250 -2.942 167 HB2 ARG 25 1HB ARG 25 4.243 -15.763 -5.801 168 HB3 ARG 25 2HB ARG 25 5.234 -15.061 -4.528 169 HG2 ARG 25 1HG ARG 25 5.193 -17.154 -3.305 170 HG3 ARG 25 2HG ARG 25 4.134 -17.864 -4.525 171 HD2 ARG 25 1HD ARG 25 5.875 -17.584 -6.211 172 HD3 ARG 25 2HD ARG 25 6.929 -16.839 -5.010 173 HE ARG 25 HE ARG 25 6.166 -19.357 -4.065 174 HH11 ARG 25 1HH1 ARG 25 8.058 -17.952 -6.628 175 HH12 ARG 25 2HH1 ARG 25 9.138 -19.302 -6.747 176 HH21 ARG 25 1HH2 ARG 25 7.581 -21.140 -4.213 177 HH22 ARG 25 2HH2 ARG 25 8.865 -21.115 -5.373 178 H ALA 26 H ALA 26 1.121 -14.792 -5.370 179 HA ALA 26 HA ALA 26 1.834 -11.966 -5.734 180 HB1 ALA 26 3HB ALA 26 0.948 -13.888 -7.539 181 HB2 ALA 26 1HB ALA 26 -0.446 -12.840 -7.276 182 HB3 ALA 26 2HB ALA 26 1.085 -12.152 -7.819 183 H VAL 27 H VAL 27 0.422 -10.319 -5.218 184 HA VAL 27 HA VAL 27 -2.122 -11.022 -3.948 185 HB VAL 27 HB VAL 27 -1.684 -9.473 -2.074 186 HG11 VAL 27 1HG1 VAL 27 0.564 -11.226 -1.627 187 HG12 VAL 27 2HG1 VAL 27 -1.035 -11.236 -0.881 188 HG13 VAL 27 3HG1 VAL 27 -0.766 -12.083 -2.405 189 HG21 VAL 27 3HG2 VAL 27 0.873 -9.135 -3.531 190 HG22 VAL 27 1HG2 VAL 27 -0.061 -7.971 -2.591 191 HG23 VAL 27 2HG2 VAL 27 0.949 -9.161 -1.769 192 H ILE 28 H ILE 28 -3.564 -9.178 -3.683 193 HA ILE 28 HA ILE 28 -3.034 -7.097 -5.700 194 HB ILE 28 HB ILE 28 -5.740 -8.004 -4.720 195 HG12 ILE 28 1HG1 ILE 28 -4.706 -9.859 -5.877 196 HG13 ILE 28 2HG1 ILE 28 -5.919 -9.142 -6.931 197 HG21 ILE 28 1HG2 ILE 28 -6.064 -5.889 -5.574 198 HG22 ILE 28 2HG2 ILE 28 -4.782 -6.061 -6.772 199 HG23 ILE 28 3HG2 ILE 28 -6.322 -6.888 -7.004 200 HD11 ILE 28 3HD1 ILE 28 -3.141 -9.562 -7.403 201 HD12 ILE 28 1HD1 ILE 28 -4.385 -8.980 -8.509 202 HD13 ILE 28 2HD1 ILE 28 -3.498 -7.838 -7.498 203 H VAL 29 H VAL 29 -2.185 -5.455 -4.517 204 HA VAL 29 HA VAL 29 -3.382 -4.677 -1.990 205 HB VAL 29 HB VAL 29 -1.117 -3.395 -3.526 206 HG11 VAL 29 1HG1 VAL 29 -2.216 -2.934 -0.763 207 HG12 VAL 29 2HG1 VAL 29 -0.604 -2.411 -1.255 208 HG13 VAL 29 3HG1 VAL 29 -2.029 -1.766 -2.071 209 HG21 VAL 29 3HG2 VAL 29 0.045 -5.189 -2.881 210 HG22 VAL 29 1HG2 VAL 29 -0.095 -4.560 -1.240 211 HG23 VAL 29 2HG2 VAL 29 -1.254 -5.750 -1.830 212 H SER 30 H SER 30 -5.338 -3.742 -2.278 213 HA SER 30 HA SER 30 -5.661 -1.695 -4.338 214 HB2 SER 30 1HB SER 30 -7.888 -2.451 -2.500 215 HB3 SER 30 2HB SER 30 -7.934 -2.057 -4.218 216 HG SER 30 HG SER 30 -8.284 -4.269 -3.912 217 H TRP 31 H TRP 31 -6.940 0.279 -3.692 218 HA TRP 31 HA TRP 31 -6.941 1.185 -1.013 219 HB2 TRP 31 1HB TRP 31 -5.171 2.861 -1.125 220 HB3 TRP 31 2HB TRP 31 -4.503 1.252 -1.384 221 HD1 TRP 31 HD TRP 31 -5.303 4.493 -3.288 222 HE1 TRP 31 1HE TRP 31 -3.912 4.527 -5.454 223 HE3 TRP 31 3HE TRP 31 -3.310 -0.208 -3.046 224 HZ2 TRP 31 2HZ TRP 31 -2.198 2.790 -6.872 225 HZ3 TRP 31 3HZ TRP 31 -1.804 -0.945 -4.848 226 HH2 TRP 31 HH TRP 31 -1.262 0.525 -6.721 227 H GLN 32 H GLN 32 -7.132 3.742 -1.044 228 HA GLN 32 HA GLN 32 -8.701 4.529 -3.404 229 HB2 GLN 32 1HB GLN 32 -9.513 4.480 -0.545 230 HB3 GLN 32 2HB GLN 32 -10.045 5.852 -1.508 231 HG2 GLN 32 1HG GLN 32 -11.495 3.669 -1.288 232 HG3 GLN 32 2HG GLN 32 -11.441 4.597 -2.785 233 HE21 GLN 32 1HE2 GLN 32 -10.834 3.601 -4.590 234 HE22 GLN 32 2HE2 GLN 32 -10.161 2.012 -4.677 235 HA PRO 33 HA PRO 33 -6.522 8.335 -3.367 236 HB2 PRO 33 1HB PRO 33 -8.446 10.121 -4.061 237 HB3 PRO 33 2HB PRO 33 -7.761 8.955 -5.200 238 HG2 PRO 33 1HG PRO 33 -10.332 8.824 -3.670 239 HG3 PRO 33 2HG PRO 33 -10.015 8.407 -5.365 240 HD2 PRO 33 1HD PRO 33 -10.206 6.537 -3.416 241 HD3 PRO 33 2HD PRO 33 -9.144 6.343 -4.826 242 HA PRO 34 HA PRO 34 -7.061 10.091 0.666 243 HB2 PRO 34 1HB PRO 34 -5.265 12.111 0.417 244 HB3 PRO 34 2HB PRO 34 -4.788 10.425 0.647 245 HG2 PRO 34 1HG PRO 34 -4.912 12.030 -1.876 246 HG3 PRO 34 2HG PRO 34 -3.661 10.898 -1.331 247 HD2 PRO 34 1HD PRO 34 -5.554 10.216 -3.143 248 HD3 PRO 34 2HD PRO 34 -4.867 9.050 -1.994 249 H LEU 35 H LEU 35 -8.145 11.778 1.626 250 HA LEU 35 HA LEU 35 -9.871 13.328 -0.016 251 HB2 LEU 35 1HB LEU 35 -9.347 13.086 2.902 252 HB3 LEU 35 2HB LEU 35 -10.230 14.497 2.326 253 HG LEU 35 HG LEU 35 -11.805 12.849 3.059 254 HD11 LEU 35 1HD1 LEU 35 -12.126 12.352 0.193 255 HD12 LEU 35 2HD1 LEU 35 -11.869 14.045 0.614 256 HD13 LEU 35 3HD1 LEU 35 -13.205 13.149 1.338 257 HD21 LEU 35 3HD2 LEU 35 -11.724 10.624 2.623 258 HD22 LEU 35 1HD2 LEU 35 -10.003 10.976 2.469 259 HD23 LEU 35 2HD2 LEU 35 -11.008 10.848 1.026 260 H GLU 36 H GLU 36 -7.037 14.118 1.967 261 HA GLU 36 HA GLU 36 -7.106 16.887 1.101 262 HB2 GLU 36 1HB GLU 36 -5.116 15.417 2.839 263 HB3 GLU 36 2HB GLU 36 -5.128 17.151 2.550 264 HG2 GLU 36 1HG GLU 36 -7.443 17.186 3.535 265 HG3 GLU 36 2HG GLU 36 -7.167 15.516 4.028 266 H ALA 37 H ALA 37 -6.843 15.224 -1.065 267 HA ALA 37 HA ALA 37 -4.129 14.791 -1.816 268 HB1 ALA 37 3HB ALA 37 -4.953 13.892 -3.745 269 HB2 ALA 37 1HB ALA 37 -6.387 13.765 -2.726 270 HB3 ALA 37 2HB ALA 37 -6.242 15.087 -3.885 271 H ASN 38 H ASN 38 -5.799 17.600 -1.401 272 HA ASN 38 HA ASN 38 -5.678 19.725 -2.264 273 HB2 ASN 38 1HB ASN 38 -2.823 18.772 -2.130 274 HB3 ASN 38 2HB ASN 38 -3.223 20.425 -2.587 275 HD21 ASN 38 1HD2 ASN 38 -2.140 18.741 -0.123 276 HD22 ASN 38 2HD2 ASN 38 -2.843 19.590 1.207 277 H GLY 39 H GLY 39 -6.166 17.635 -4.263 278 HA2 GLY 39 1HA GLY 39 -6.415 18.904 -6.576 279 HA3 GLY 39 2HA GLY 39 -4.693 18.558 -6.608 280 H LYS 40 H LYS 40 -4.631 17.114 -8.260 281 HA LYS 40 HA LYS 40 -6.162 14.624 -7.881 282 HB2 LYS 40 1HB LYS 40 -7.033 15.694 -9.827 283 HB3 LYS 40 2HB LYS 40 -5.422 16.063 -10.427 284 HG2 LYS 40 1HG LYS 40 -5.125 13.486 -10.465 285 HG3 LYS 40 2HG LYS 40 -6.890 13.464 -10.423 286 HD2 LYS 40 1HD LYS 40 -6.940 14.894 -12.421 287 HD3 LYS 40 2HD LYS 40 -5.176 14.876 -12.468 288 HE2 LYS 40 1HE LYS 40 -5.879 13.249 -14.025 289 HE3 LYS 40 2HE LYS 40 -5.341 12.354 -12.605 290 HZ1 LYS 40 3HZ LYS 40 -8.146 12.940 -13.377 291 HZ2 LYS 40 1HZ LYS 40 -7.694 12.223 -11.913 292 HZ3 LYS 40 2HZ LYS 40 -7.387 11.428 -13.374 293 H ILE 41 H ILE 41 -4.872 13.020 -7.285 294 HA ILE 41 HA ILE 41 -2.106 13.029 -7.287 295 HB ILE 41 HB ILE 41 -3.811 10.548 -7.505 296 HG12 ILE 41 1HG1 ILE 41 -4.775 11.720 -5.711 297 HG13 ILE 41 2HG1 ILE 41 -3.609 10.652 -4.938 298 HG21 ILE 41 1HG2 ILE 41 -1.969 9.374 -7.074 299 HG22 ILE 41 2HG2 ILE 41 -1.062 10.843 -7.430 300 HG23 ILE 41 3HG2 ILE 41 -1.496 10.457 -5.765 301 HD11 ILE 41 3HD1 ILE 41 -3.247 12.644 -3.854 302 HD12 ILE 41 1HD1 ILE 41 -2.018 12.692 -5.118 303 HD13 ILE 41 2HD1 ILE 41 -3.514 13.607 -5.307 304 H THR 42 H THR 42 -0.521 12.340 -8.655 305 HA THR 42 HA THR 42 -1.377 11.615 -11.382 306 HB THR 42 HB THR 42 0.598 12.671 -12.252 307 HG1 THR 42 1HG THR 42 1.398 12.544 -9.607 308 HG21 THR 42 3HG2 THR 42 -1.327 14.136 -11.757 309 HG22 THR 42 1HG2 THR 42 0.210 14.991 -11.644 310 HG23 THR 42 2HG2 THR 42 -0.631 14.490 -10.177 311 H ALA 43 H ALA 43 0.398 10.641 -8.631 312 HA ALA 43 HA ALA 43 1.088 8.140 -9.901 313 HB1 ALA 43 3HB ALA 43 3.420 8.220 -9.634 314 HB2 ALA 43 1HB ALA 43 2.991 9.762 -10.376 315 HB3 ALA 43 2HB ALA 43 3.342 9.681 -8.649 316 H TYR 44 H TYR 44 1.250 6.470 -8.461 317 HA TYR 44 HA TYR 44 0.961 7.172 -5.612 318 HB2 TYR 44 1HB TYR 44 -0.347 4.988 -7.226 319 HB3 TYR 44 2HB TYR 44 -0.274 4.934 -5.469 320 HD1 TYR 44 2HD TYR 44 -1.131 7.145 -4.277 321 HD2 TYR 44 1HD TYR 44 -2.207 5.937 -8.213 322 HE1 TYR 44 2HE TYR 44 -3.153 8.539 -4.146 323 HE2 TYR 44 1HE TYR 44 -4.231 7.328 -8.093 324 HH TYR 44 HH TYR 44 -5.678 8.271 -5.713 325 H ILE 45 H ILE 45 2.639 6.582 -4.425 326 HA ILE 45 HA ILE 45 4.366 4.407 -5.374 327 HB ILE 45 HB ILE 45 5.005 6.362 -3.173 328 HG12 ILE 45 1HG1 ILE 45 6.460 7.368 -5.119 329 HG13 ILE 45 2HG1 ILE 45 5.235 6.632 -6.147 330 HG21 ILE 45 1HG2 ILE 45 6.294 4.218 -3.375 331 HG22 ILE 45 2HG2 ILE 45 6.855 4.785 -4.947 332 HG23 ILE 45 3HG2 ILE 45 7.263 5.687 -3.488 333 HD11 ILE 45 3HD1 ILE 45 3.770 8.238 -5.706 334 HD12 ILE 45 1HD1 ILE 45 4.079 8.159 -3.972 335 HD13 ILE 45 2HD1 ILE 45 5.123 9.130 -5.011 336 H LEU 46 H LEU 46 4.303 2.498 -4.402 337 HA LEU 46 HA LEU 46 3.096 2.326 -1.723 338 HB2 LEU 46 1HB LEU 46 1.765 1.079 -3.186 339 HB3 LEU 46 2HB LEU 46 3.162 0.431 -4.044 340 HG LEU 46 HG LEU 46 3.630 -0.714 -1.711 341 HD11 LEU 46 1HD1 LEU 46 1.963 0.070 -0.328 342 HD12 LEU 46 2HD1 LEU 46 1.273 -1.452 -0.891 343 HD13 LEU 46 3HD1 LEU 46 0.752 0.072 -1.610 344 HD21 LEU 46 3HD2 LEU 46 1.813 -1.521 -3.938 345 HD22 LEU 46 1HD2 LEU 46 2.008 -2.580 -2.542 346 HD23 LEU 46 2HD2 LEU 46 3.411 -2.133 -3.512 347 H PHE 47 H PHE 47 4.057 1.033 -0.141 348 HA PHE 47 HA PHE 47 6.762 0.048 -0.728 349 HB2 PHE 47 1HB PHE 47 6.034 1.567 1.782 350 HB3 PHE 47 2HB PHE 47 7.632 0.999 1.310 351 HD1 PHE 47 1HD PHE 47 4.889 3.137 -0.044 352 HD2 PHE 47 2HD PHE 47 9.077 2.541 0.426 353 HE1 PHE 47 1HE PHE 47 5.317 5.289 -1.158 354 HE2 PHE 47 2HE PHE 47 9.512 4.692 -0.686 355 HZ PHE 47 HZ PHE 47 7.631 6.070 -1.479 356 H TYR 48 H TYR 48 7.137 -1.949 -0.007 357 HA TYR 48 HA TYR 48 5.522 -2.999 2.204 358 HB2 TYR 48 1HB TYR 48 5.148 -5.102 0.992 359 HB3 TYR 48 2HB TYR 48 4.433 -3.739 0.138 360 HD1 TYR 48 2HD TYR 48 5.473 -2.893 -1.937 361 HD2 TYR 48 1HD TYR 48 6.935 -6.373 0.027 362 HE1 TYR 48 2HE TYR 48 6.697 -3.522 -3.975 363 HE2 TYR 48 1HE TYR 48 8.165 -7.011 -2.005 364 HH TYR 48 HH TYR 48 8.348 -4.876 -4.786 365 H THR 49 H THR 49 6.556 -4.443 3.523 366 HA THR 49 HA THR 49 9.024 -5.705 2.802 367 HB THR 49 HB THR 49 9.641 -3.269 3.368 368 HG1 THR 49 1HG THR 49 11.082 -4.886 5.094 369 HG21 THR 49 3HG2 THR 49 9.349 -4.273 6.193 370 HG22 THR 49 1HG2 THR 49 8.146 -3.248 5.412 371 HG23 THR 49 2HG2 THR 49 9.788 -2.652 5.656 372 H LEU 50 H LEU 50 9.780 -7.173 4.407 373 HA LEU 50 HA LEU 50 7.664 -8.032 6.214 374 HB2 LEU 50 1HB LEU 50 9.128 -10.034 6.518 375 HB3 LEU 50 2HB LEU 50 8.567 -9.761 4.870 376 HG LEU 50 HG LEU 50 10.804 -8.758 4.364 377 HD11 LEU 50 1HD1 LEU 50 11.113 -9.174 7.214 378 HD12 LEU 50 2HD1 LEU 50 12.075 -8.202 6.102 379 HD13 LEU 50 3HD1 LEU 50 12.414 -9.922 6.287 380 HD21 LEU 50 3HD2 LEU 50 10.469 -11.618 5.190 381 HD22 LEU 50 1HD2 LEU 50 11.998 -11.035 4.533 382 HD23 LEU 50 2HD2 LEU 50 10.525 -10.925 3.569 383 H ASP 51 H ASP 51 10.409 -6.129 6.356 384 HA ASP 51 HA ASP 51 10.615 -6.537 9.267 385 HB2 ASP 51 1HB ASP 51 12.771 -6.105 7.223 386 HB3 ASP 51 2HB ASP 51 13.018 -5.596 8.891 387 H LYS 52 H LYS 52 9.860 -4.848 10.339 388 HA LYS 52 HA LYS 52 9.596 -2.271 9.036 389 HB2 LYS 52 1HB LYS 52 8.308 -1.623 10.987 390 HB3 LYS 52 2HB LYS 52 7.755 -3.188 10.405 391 HG2 LYS 52 1HG LYS 52 9.427 -4.118 12.179 392 HG3 LYS 52 2HG LYS 52 9.256 -2.511 12.889 393 HD2 LYS 52 1HD LYS 52 6.970 -2.799 13.280 394 HD3 LYS 52 2HD LYS 52 6.851 -4.141 12.139 395 HE2 LYS 52 1HE LYS 52 7.994 -5.607 13.617 396 HE3 LYS 52 2HE LYS 52 8.471 -4.277 14.673 397 HZ1 LYS 52 3HZ LYS 52 6.663 -5.436 15.676 398 HZ2 LYS 52 1HZ LYS 52 5.729 -5.337 14.269 399 HZ3 LYS 52 2HZ LYS 52 6.080 -3.938 15.151 400 H ASN 53 H ASN 53 11.659 -3.823 11.338 401 HA ASN 53 HA ASN 53 12.668 -1.760 12.836 402 HB2 ASN 53 1HB ASN 53 14.078 -4.148 11.642 403 HB3 ASN 53 2HB ASN 53 14.856 -3.052 12.780 404 HD21 ASN 53 1HD2 ASN 53 14.152 -5.912 12.972 405 HD22 ASN 53 2HD2 ASN 53 13.199 -6.053 14.407 406 H ILE 54 H ILE 54 12.984 -2.261 9.448 407 HA ILE 54 HA ILE 54 15.221 -0.410 9.200 408 HB ILE 54 HB ILE 54 14.872 -0.835 6.712 409 HG12 ILE 54 1HG1 ILE 54 13.175 -3.113 7.749 410 HG13 ILE 54 2HG1 ILE 54 12.517 -1.660 7.003 411 HG21 ILE 54 1HG2 ILE 54 15.483 -3.264 8.385 412 HG22 ILE 54 2HG2 ILE 54 16.094 -2.889 6.775 413 HG23 ILE 54 3HG2 ILE 54 16.595 -1.915 8.157 414 HD11 ILE 54 3HD1 ILE 54 12.615 -3.489 5.419 415 HD12 ILE 54 1HD1 ILE 54 13.704 -2.188 4.937 416 HD13 ILE 54 2HD1 ILE 54 14.350 -3.649 5.687 417 HA PRO 55 HA PRO 55 12.849 3.179 8.329 418 HB2 PRO 55 1HB PRO 55 14.417 4.422 6.495 419 HB3 PRO 55 2HB PRO 55 14.839 4.322 8.209 420 HG2 PRO 55 1HG PRO 55 15.808 2.655 5.919 421 HG3 PRO 55 2HG PRO 55 16.728 3.345 7.269 422 HD2 PRO 55 1HD PRO 55 15.954 0.751 7.209 423 HD3 PRO 55 2HD PRO 55 16.096 1.670 8.721 424 H ILE 56 H ILE 56 11.205 3.781 7.025 425 HA ILE 56 HA ILE 56 10.089 2.247 5.112 426 HB ILE 56 HB ILE 56 9.033 4.278 6.041 427 HG12 ILE 56 1HG1 ILE 56 7.918 5.004 3.907 428 HG13 ILE 56 2HG1 ILE 56 9.101 4.042 3.027 429 HG21 ILE 56 1HG2 ILE 56 9.587 6.440 5.404 430 HG22 ILE 56 2HG2 ILE 56 11.161 5.662 5.568 431 HG23 ILE 56 3HG2 ILE 56 10.458 5.900 3.968 432 HD11 ILE 56 3HD1 ILE 56 6.693 3.222 4.426 433 HD12 ILE 56 1HD1 ILE 56 7.615 2.398 3.169 434 HD13 ILE 56 2HD1 ILE 56 8.107 2.260 4.858 435 H ASP 57 H ASP 57 12.877 4.257 4.717 436 HA ASP 57 HA ASP 57 12.843 4.433 1.882 437 HB2 ASP 57 1HB ASP 57 14.214 5.800 3.628 438 HB3 ASP 57 2HB ASP 57 15.377 4.484 3.491 439 H ASP 58 H ASP 58 14.509 2.266 4.150 440 HA ASP 58 HA ASP 58 15.876 0.749 2.220 441 HB2 ASP 58 1HB ASP 58 16.024 0.832 4.871 442 HB3 ASP 58 2HB ASP 58 14.947 -0.555 4.736 443 H TRP 59 H TRP 59 12.581 0.735 3.250 444 HA TRP 59 HA TRP 59 11.811 -1.867 2.614 445 HB2 TRP 59 1HB TRP 59 10.231 0.701 2.361 446 HB3 TRP 59 2HB TRP 59 9.537 -0.917 2.307 447 HD1 TRP 59 HD TRP 59 12.281 -0.226 4.847 448 HE1 TRP 59 1HE TRP 59 11.260 -0.252 7.210 449 HE3 TRP 59 3HE TRP 59 7.329 -0.429 3.589 450 HZ2 TRP 59 2HZ TRP 59 8.695 -0.347 8.384 451 HZ3 TRP 59 3HZ TRP 59 5.656 -0.485 5.392 452 HH2 TRP 59 HH TRP 59 6.327 -0.445 7.740 453 H ILE 60 H ILE 60 10.052 -2.120 0.721 454 HA ILE 60 HA ILE 60 11.553 -1.590 -1.740 455 HB ILE 60 HB ILE 60 9.289 -3.526 -1.240 456 HG12 ILE 60 1HG1 ILE 60 12.072 -4.363 -1.920 457 HG13 ILE 60 2HG1 ILE 60 11.744 -3.837 -0.273 458 HG21 ILE 60 1HG2 ILE 60 10.499 -2.524 -3.675 459 HG22 ILE 60 2HG2 ILE 60 10.630 -4.277 -3.542 460 HG23 ILE 60 3HG2 ILE 60 9.048 -3.502 -3.454 461 HD11 ILE 60 3HD1 ILE 60 10.263 -6.027 -1.708 462 HD12 ILE 60 1HD1 ILE 60 11.581 -6.271 -0.562 463 HD13 ILE 60 2HD1 ILE 60 10.066 -5.547 -0.023 464 H MET 61 H MET 61 10.962 0.367 -2.506 465 HA MET 61 HA MET 61 8.227 1.271 -2.416 466 HB2 MET 61 1HB MET 61 10.087 2.855 -2.158 467 HB3 MET 61 2HB MET 61 10.644 2.470 -3.781 468 HG2 MET 61 1HG MET 61 8.082 3.183 -4.277 469 HG3 MET 61 2HG MET 61 8.457 4.208 -2.894 470 HE1 MET 61 3HE MET 61 9.377 3.243 -6.571 471 HE2 MET 61 1HE MET 61 10.812 4.226 -6.863 472 HE3 MET 61 2HE MET 61 10.878 2.888 -5.716 473 H GLU 62 H GLU 62 6.870 1.646 -4.188 474 HA GLU 62 HA GLU 62 7.684 0.553 -6.774 475 HB2 GLU 62 1HB GLU 62 5.500 -0.501 -5.030 476 HB3 GLU 62 2HB GLU 62 5.264 -0.507 -6.772 477 HG2 GLU 62 1HG GLU 62 7.366 -1.935 -5.179 478 HG3 GLU 62 2HG GLU 62 6.116 -2.625 -6.212 479 H THR 63 H THR 63 7.149 1.919 -8.333 480 HA THR 63 HA THR 63 5.382 4.136 -7.787 481 HB THR 63 HB THR 63 6.814 3.438 -10.358 482 HG1 THR 63 1HG THR 63 8.219 5.210 -9.518 483 HG21 THR 63 3HG2 THR 63 4.811 5.323 -9.861 484 HG22 THR 63 1HG2 THR 63 5.878 5.250 -11.263 485 HG23 THR 63 2HG2 THR 63 6.317 6.239 -9.870 486 H ILE 64 H ILE 64 3.329 4.376 -8.436 487 HA ILE 64 HA ILE 64 2.241 2.438 -10.367 488 HB ILE 64 HB ILE 64 0.670 3.461 -8.012 489 HG12 ILE 64 1HG1 ILE 64 1.722 0.669 -8.088 490 HG13 ILE 64 2HG1 ILE 64 2.811 1.954 -7.578 491 HG21 ILE 64 1HG2 ILE 64 -0.882 2.691 -9.502 492 HG22 ILE 64 2HG2 ILE 64 0.221 1.511 -10.210 493 HG23 ILE 64 3HG2 ILE 64 -0.521 1.194 -8.642 494 HD11 ILE 64 3HD1 ILE 64 0.154 1.924 -6.307 495 HD12 ILE 64 1HD1 ILE 64 1.236 0.591 -5.902 496 HD13 ILE 64 2HD1 ILE 64 1.744 2.257 -5.620 497 H SER 65 H SER 65 0.458 3.162 -11.617 498 HA SER 65 HA SER 65 0.644 5.864 -12.436 499 HB2 SER 65 1HB SER 65 -0.022 4.034 -13.958 500 HB3 SER 65 2HB SER 65 -1.525 3.842 -13.055 501 HG SER 65 HG SER 65 -2.069 5.169 -14.684 502 H GLY 66 H GLY 66 -0.526 7.633 -11.927 503 HA2 GLY 66 1HA GLY 66 -1.943 7.753 -9.510 504 HA3 GLY 66 2HA GLY 66 -1.947 8.997 -10.751 505 H ASP 67 H ASP 67 -2.959 6.506 -12.458 506 HA ASP 67 HA ASP 67 -5.754 7.226 -12.133 507 HB2 ASP 67 1HB ASP 67 -4.414 6.888 -14.367 508 HB3 ASP 67 2HB ASP 67 -4.796 5.189 -14.108 509 H ARG 68 H ARG 68 -3.719 4.333 -11.929 510 HA ARG 68 HA ARG 68 -5.907 2.630 -11.183 511 HB2 ARG 68 1HB ARG 68 -2.945 2.099 -10.906 512 HB3 ARG 68 2HB ARG 68 -4.237 0.906 -10.911 513 HG2 ARG 68 1HG ARG 68 -4.723 1.382 -13.227 514 HG3 ARG 68 2HG ARG 68 -3.521 2.674 -13.239 515 HD2 ARG 68 1HD ARG 68 -1.870 0.823 -12.512 516 HD3 ARG 68 2HD ARG 68 -3.111 -0.290 -13.087 517 HE ARG 68 HE ARG 68 -2.636 1.604 -15.087 518 HH11 ARG 68 1HH1 ARG 68 -1.004 -1.019 -13.482 519 HH12 ARG 68 2HH1 ARG 68 -0.013 -1.411 -14.848 520 HH21 ARG 68 1HH2 ARG 68 -1.337 1.098 -16.892 521 HH22 ARG 68 2HH2 ARG 68 -0.202 -0.206 -16.787 522 H LEU 69 H LEU 69 -6.198 1.607 -9.150 523 HA LEU 69 HA LEU 69 -5.023 3.080 -6.883 524 HB2 LEU 69 1HB LEU 69 -7.815 1.979 -7.161 525 HB3 LEU 69 2HB LEU 69 -7.148 2.666 -5.681 526 HG LEU 69 HG LEU 69 -7.323 4.273 -8.211 527 HD11 LEU 69 1HD1 LEU 69 -9.421 4.986 -6.466 528 HD12 LEU 69 2HD1 LEU 69 -9.522 3.243 -6.717 529 HD13 LEU 69 3HD1 LEU 69 -9.534 4.336 -8.102 530 HD21 LEU 69 3HD2 LEU 69 -6.694 4.746 -5.369 531 HD22 LEU 69 1HD2 LEU 69 -7.696 5.966 -6.154 532 HD23 LEU 69 2HD2 LEU 69 -6.110 5.568 -6.816 533 H THR 70 H THR 70 -4.534 0.391 -8.343 534 HA THR 70 HA THR 70 -4.280 -1.176 -5.872 535 HB THR 70 HB THR 70 -5.016 -3.192 -6.879 536 HG1 THR 70 1HG THR 70 -5.561 -1.967 -9.355 537 HG21 THR 70 3HG2 THR 70 -6.773 -1.443 -6.238 538 HG22 THR 70 1HG2 THR 70 -7.297 -2.776 -7.266 539 HG23 THR 70 2HG2 THR 70 -6.977 -1.192 -7.972 540 H HIS 71 H HIS 71 -2.604 -2.797 -5.935 541 HA HIS 71 HA HIS 71 -0.689 -2.608 -8.129 542 HB2 HIS 71 1HB HIS 71 0.148 -0.907 -6.671 543 HB3 HIS 71 2HB HIS 71 -0.059 -1.932 -5.254 544 HD1 HIS 71 1HD HIS 71 2.176 -1.438 -8.231 545 HD2 HIS 71 2HD HIS 71 2.023 -3.694 -4.746 546 HE1 HIS 71 1HE HIS 71 4.448 -2.495 -8.014 547 HE2 HIS 71 2HE HIS 71 4.304 -3.923 -5.944 548 H GLN 72 H GLN 72 0.008 -4.568 -8.660 549 HA GLN 72 HA GLN 72 -0.411 -6.763 -6.767 550 HB2 GLN 72 1HB GLN 72 -1.389 -6.878 -9.077 551 HB3 GLN 72 2HB GLN 72 0.251 -6.936 -9.709 552 HG2 GLN 72 1HG GLN 72 0.521 -8.968 -8.127 553 HG3 GLN 72 2HG GLN 72 -1.241 -8.987 -8.136 554 HE21 GLN 72 1HE2 GLN 72 1.404 -10.265 -9.549 555 HE22 GLN 72 2HE2 GLN 72 0.743 -10.707 -11.083 556 H ILE 73 H ILE 73 1.228 -7.810 -5.834 557 HA ILE 73 HA ILE 73 3.957 -7.126 -6.695 558 HB ILE 73 HB ILE 73 3.025 -8.184 -4.023 559 HG12 ILE 73 1HG1 ILE 73 4.185 -5.459 -4.545 560 HG13 ILE 73 2HG1 ILE 73 2.461 -5.755 -4.743 561 HG21 ILE 73 1HG2 ILE 73 5.364 -7.537 -3.335 562 HG22 ILE 73 2HG2 ILE 73 5.235 -8.949 -4.381 563 HG23 ILE 73 3HG2 ILE 73 5.740 -7.399 -5.052 564 HD11 ILE 73 3HD1 ILE 73 2.585 -6.697 -2.347 565 HD12 ILE 73 1HD1 ILE 73 4.113 -5.821 -2.258 566 HD13 ILE 73 2HD1 ILE 73 2.615 -4.950 -2.587 567 H MET 74 H MET 74 5.548 -8.750 -6.831 568 HA MET 74 HA MET 74 4.567 -11.519 -6.826 569 HB2 MET 74 1HB MET 74 6.210 -10.237 -9.016 570 HB3 MET 74 2HB MET 74 5.829 -11.950 -8.911 571 HG2 MET 74 1HG MET 74 3.359 -11.060 -8.838 572 HG3 MET 74 2HG MET 74 4.082 -9.656 -9.620 573 HE1 MET 74 3HE MET 74 4.788 -10.231 -12.878 574 HE2 MET 74 1HE MET 74 5.601 -9.733 -11.395 575 HE3 MET 74 2HE MET 74 6.141 -11.175 -12.253 576 H ASP 75 H ASP 75 6.221 -13.127 -6.582 577 HA ASP 75 HA ASP 75 8.156 -14.005 -5.754 578 HB2 ASP 75 1HB ASP 75 9.219 -12.373 -7.382 579 HB3 ASP 75 2HB ASP 75 9.397 -11.267 -6.023 580 H LEU 76 H LEU 76 6.273 -13.387 -3.952 581 HA LEU 76 HA LEU 76 7.622 -11.950 -1.776 582 HB2 LEU 76 1HB LEU 76 4.779 -12.585 -2.404 583 HB3 LEU 76 2HB LEU 76 5.247 -12.351 -0.721 584 HG LEU 76 HG LEU 76 5.441 -10.342 -2.961 585 HD11 LEU 76 1HD1 LEU 76 3.604 -10.789 -0.672 586 HD12 LEU 76 2HD1 LEU 76 3.267 -10.196 -2.298 587 HD13 LEU 76 3HD1 LEU 76 4.004 -9.127 -1.106 588 HD21 LEU 76 3HD2 LEU 76 6.077 -8.858 -0.909 589 HD22 LEU 76 1HD2 LEU 76 7.314 -9.806 -1.735 590 HD23 LEU 76 2HD2 LEU 76 6.623 -10.388 -0.220 591 H ASN 77 H ASN 77 8.017 -12.901 0.199 592 HA ASN 77 HA ASN 77 8.695 -15.586 0.279 593 HB2 ASN 77 1HB ASN 77 8.169 -13.552 2.427 594 HB3 ASN 77 2HB ASN 77 8.549 -15.219 2.850 595 HD21 ASN 77 1HD2 ASN 77 10.168 -13.189 3.663 596 HD22 ASN 77 2HD2 ASN 77 11.673 -13.261 2.817 597 H LEU 78 H LEU 78 7.797 -17.258 1.775 598 HA LEU 78 HA LEU 78 4.873 -17.335 1.500 599 HB2 LEU 78 1HB LEU 78 6.924 -19.521 1.778 600 HB3 LEU 78 2HB LEU 78 5.187 -19.806 1.856 601 HG LEU 78 HG LEU 78 6.164 -20.362 -0.339 602 HD11 LEU 78 1HD1 LEU 78 4.543 -19.041 -1.694 603 HD12 LEU 78 2HD1 LEU 78 4.198 -18.082 -0.256 604 HD13 LEU 78 3HD1 LEU 78 3.841 -19.809 -0.270 605 HD21 LEU 78 3HD2 LEU 78 7.095 -18.740 -1.768 606 HD22 LEU 78 1HD2 LEU 78 7.880 -18.493 -0.208 607 HD23 LEU 78 2HD2 LEU 78 6.587 -17.410 -0.726 608 H ASP 79 H ASP 79 3.553 -17.798 3.224 609 HA ASP 79 HA ASP 79 2.886 -17.602 5.402 610 HB2 ASP 79 1HB ASP 79 3.738 -19.309 6.862 611 HB3 ASP 79 2HB ASP 79 3.681 -19.975 5.232 612 H THR 80 H THR 80 4.474 -15.462 4.658 613 HA THR 80 HA THR 80 5.881 -14.886 7.179 614 HB THR 80 HB THR 80 6.763 -13.847 4.483 615 HG1 THR 80 1HG THR 80 7.044 -16.214 4.946 616 HG21 THR 80 3HG2 THR 80 8.672 -13.007 5.615 617 HG22 THR 80 1HG2 THR 80 8.273 -13.886 7.090 618 HG23 THR 80 2HG2 THR 80 7.278 -12.522 6.580 619 H MET 81 H MET 81 5.474 -12.933 8.097 620 HA MET 81 HA MET 81 3.196 -11.474 7.186 621 HB2 MET 81 1HB MET 81 3.826 -11.811 9.593 622 HB3 MET 81 2HB MET 81 5.153 -10.684 9.348 623 HG2 MET 81 1HG MET 81 3.130 -9.695 10.399 624 HG3 MET 81 2HG MET 81 3.660 -8.889 8.924 625 HE1 MET 81 3HE MET 81 0.743 -12.050 9.520 626 HE2 MET 81 1HE MET 81 1.399 -11.000 10.777 627 HE3 MET 81 2HE MET 81 -0.183 -10.655 10.077 628 H TYR 82 H TYR 82 3.091 -9.697 5.962 629 HA TYR 82 HA TYR 82 5.587 -8.234 5.412 630 HB2 TYR 82 1HB TYR 82 3.617 -9.418 3.530 631 HB3 TYR 82 2HB TYR 82 4.271 -7.840 3.108 632 HD1 TYR 82 1HD TYR 82 6.965 -7.744 3.526 633 HD2 TYR 82 2HD TYR 82 4.694 -11.219 2.592 634 HE1 TYR 82 1HE TYR 82 8.988 -8.817 2.629 635 HE2 TYR 82 2HE TYR 82 6.711 -12.303 1.694 636 HH TYR 82 HH TYR 82 9.357 -11.956 2.176 637 H TYR 83 H TYR 83 5.473 -6.155 5.909 638 HA TYR 83 HA TYR 83 2.938 -4.962 6.610 639 HB2 TYR 83 1HB TYR 83 5.662 -3.655 6.556 640 HB3 TYR 83 2HB TYR 83 4.233 -3.099 7.420 641 HD1 TYR 83 1HD TYR 83 3.335 -5.737 8.557 642 HD2 TYR 83 2HD TYR 83 7.184 -3.939 8.330 643 HE1 TYR 83 1HE TYR 83 4.038 -7.006 10.543 644 HE2 TYR 83 2HE TYR 83 7.899 -5.204 10.314 645 HH TYR 83 HH TYR 83 6.951 -7.634 11.388 646 H PHE 84 H PHE 84 1.816 -3.459 5.496 647 HA PHE 84 HA PHE 84 2.872 -2.697 2.855 648 HB2 PHE 84 1HB PHE 84 0.058 -3.193 3.811 649 HB3 PHE 84 2HB PHE 84 0.394 -2.321 2.319 650 HD1 PHE 84 1HD PHE 84 1.539 -3.473 0.451 651 HD2 PHE 84 2HD PHE 84 0.248 -5.548 3.936 652 HE1 PHE 84 1HE PHE 84 1.725 -5.609 -0.756 653 HE2 PHE 84 2HE PHE 84 0.433 -7.687 2.735 654 HZ PHE 84 HZ PHE 84 1.172 -7.720 0.386 655 H ARG 85 H ARG 85 3.102 -0.599 2.366 656 HA ARG 85 HA ARG 85 1.674 1.433 3.882 657 HB2 ARG 85 1HB ARG 85 4.630 0.996 4.004 658 HB3 ARG 85 2HB ARG 85 4.007 2.639 4.068 659 HG2 ARG 85 1HG ARG 85 2.555 1.903 5.982 660 HG3 ARG 85 2HG ARG 85 3.463 0.390 5.984 661 HD2 ARG 85 1HD ARG 85 5.375 1.378 6.759 662 HD3 ARG 85 2HD ARG 85 4.988 2.940 6.037 663 HE ARG 85 HE ARG 85 3.112 2.675 7.963 664 HH11 ARG 85 1HH1 ARG 85 6.582 2.392 7.958 665 HH12 ARG 85 2HH1 ARG 85 6.758 2.921 9.599 666 HH21 ARG 85 1HH2 ARG 85 3.331 3.373 10.124 667 HH22 ARG 85 2HH2 ARG 85 4.908 3.478 10.830 668 H ILE 86 H ILE 86 0.735 2.505 2.266 669 HA ILE 86 HA ILE 86 2.370 3.205 -0.083 670 HB ILE 86 HB ILE 86 0.432 1.775 -0.611 671 HG12 ILE 86 1HG1 ILE 86 0.040 4.592 -1.638 672 HG13 ILE 86 2HG1 ILE 86 1.308 3.509 -2.203 673 HG21 ILE 86 1HG2 ILE 86 -1.484 2.065 0.469 674 HG22 ILE 86 2HG2 ILE 86 -0.897 3.570 1.173 675 HG23 ILE 86 3HG2 ILE 86 -1.709 3.587 -0.392 676 HD11 ILE 86 3HD1 ILE 86 -0.569 1.895 -2.792 677 HD12 ILE 86 1HD1 ILE 86 -1.655 3.265 -2.562 678 HD13 ILE 86 2HD1 ILE 86 -0.391 3.337 -3.791 679 H GLN 87 H GLN 87 1.788 5.281 -1.130 680 HA GLN 87 HA GLN 87 0.629 7.271 0.668 681 HB2 GLN 87 1HB GLN 87 2.511 8.790 0.410 682 HB3 GLN 87 2HB GLN 87 3.047 7.278 1.132 683 HG2 GLN 87 1HG GLN 87 3.776 6.558 -1.157 684 HG3 GLN 87 2HG GLN 87 3.442 8.202 -1.700 685 HE21 GLN 87 1HE2 GLN 87 4.294 9.187 1.007 686 HE22 GLN 87 2HE2 GLN 87 6.020 9.180 0.945 687 H ALA 88 H ALA 88 0.880 9.536 -0.613 688 HA ALA 88 HA ALA 88 -0.054 9.014 -3.360 689 HB1 ALA 88 3HB ALA 88 -1.328 11.278 -2.882 690 HB2 ALA 88 1HB ALA 88 -2.005 9.719 -2.410 691 HB3 ALA 88 2HB ALA 88 -1.190 10.726 -1.213 692 H ARG 89 H ARG 89 0.666 10.344 -4.980 693 HA ARG 89 HA ARG 89 2.389 12.600 -4.277 694 HB2 ARG 89 1HB ARG 89 4.018 10.903 -4.519 695 HB3 ARG 89 2HB ARG 89 3.204 10.210 -5.915 696 HG2 ARG 89 1HG ARG 89 3.766 12.243 -7.203 697 HG3 ARG 89 2HG ARG 89 4.670 12.836 -5.809 698 HD2 ARG 89 1HD ARG 89 6.356 11.319 -6.081 699 HD3 ARG 89 2HD ARG 89 5.298 10.115 -6.816 700 HE ARG 89 HE ARG 89 5.410 12.135 -8.648 701 HH11 ARG 89 1HH1 ARG 89 7.763 10.153 -7.019 702 HH12 ARG 89 2HH1 ARG 89 8.903 10.206 -8.323 703 HH21 ARG 89 1HH2 ARG 89 6.902 12.212 -10.372 704 HH22 ARG 89 2HH2 ARG 89 8.412 11.378 -10.229 705 H ASN 90 H ASN 90 1.910 14.321 -5.470 706 HA ASN 90 HA ASN 90 0.606 13.894 -8.078 707 HB2 ASN 90 1HB ASN 90 -0.546 16.096 -7.647 708 HB3 ASN 90 2HB ASN 90 -1.044 14.780 -6.588 709 HD21 ASN 90 1HD2 ASN 90 -1.800 16.385 -5.132 710 HD22 ASN 90 2HD2 ASN 90 -0.700 17.213 -4.088 711 H SER 91 H SER 91 0.776 15.906 -9.500 712 HA SER 91 HA SER 91 3.274 16.349 -10.385 713 HB2 SER 91 1HB SER 91 2.484 18.551 -11.276 714 HB3 SER 91 2HB SER 91 1.365 17.223 -11.585 715 HG SER 91 HG SER 91 1.101 18.894 -9.323 716 H LYS 92 H LYS 92 1.816 17.847 -7.588 717 HA LYS 92 HA LYS 92 3.825 19.840 -7.216 718 HB2 LYS 92 1HB LYS 92 1.943 18.686 -5.152 719 HB3 LYS 92 2HB LYS 92 2.791 20.224 -5.062 720 HG2 LYS 92 1HG LYS 92 1.407 21.232 -6.606 721 HG3 LYS 92 2HG LYS 92 0.911 19.695 -7.319 722 HD2 LYS 92 1HD LYS 92 -0.320 19.172 -5.239 723 HD3 LYS 92 2HD LYS 92 0.117 20.761 -4.609 724 HE2 LYS 92 1HE LYS 92 -1.213 20.606 -7.266 725 HE3 LYS 92 2HE LYS 92 -2.191 20.334 -5.825 726 HZ1 LYS 92 3HZ LYS 92 -0.583 22.748 -6.453 727 HZ2 LYS 92 1HZ LYS 92 -1.354 22.482 -4.971 728 HZ3 LYS 92 2HZ LYS 92 -2.270 22.639 -6.385 729 H GLY 93 H GLY 93 3.054 17.065 -5.107 730 HA2 GLY 93 1HA GLY 93 5.790 16.180 -5.064 731 HA3 GLY 93 2HA GLY 93 5.320 17.012 -3.589 732 H VAL 94 H VAL 94 5.545 15.174 -2.311 733 HA VAL 94 HA VAL 94 3.392 13.199 -2.657 734 HB VAL 94 HB VAL 94 5.447 12.114 -3.361 735 HG11 VAL 94 1HG1 VAL 94 7.441 12.307 -2.341 736 HG12 VAL 94 2HG1 VAL 94 6.720 13.731 -1.590 737 HG13 VAL 94 3HG1 VAL 94 6.741 12.193 -0.727 738 HG21 VAL 94 3HG2 VAL 94 5.410 10.695 -0.894 739 HG22 VAL 94 1HG2 VAL 94 3.771 11.242 -1.251 740 HG23 VAL 94 2HG2 VAL 94 4.651 10.264 -2.426 741 H GLY 95 H GLY 95 2.297 12.651 -0.837 742 HA2 GLY 95 1HA GLY 95 2.859 14.223 1.545 743 HA3 GLY 95 2HA GLY 95 1.422 13.257 1.247 744 HA PRO 96 HA PRO 96 3.986 11.028 4.383 745 HB2 PRO 96 1HB PRO 96 1.885 10.390 5.980 746 HB3 PRO 96 2HB PRO 96 2.756 11.924 6.105 747 HG2 PRO 96 1HG PRO 96 0.162 11.324 4.736 748 HG3 PRO 96 2HG PRO 96 0.596 12.711 5.752 749 HD2 PRO 96 1HD PRO 96 0.561 12.840 3.048 750 HD3 PRO 96 2HD PRO 96 1.695 13.785 4.034 751 H LEU 97 H LEU 97 2.862 8.832 5.556 752 HA LEU 97 HA LEU 97 2.078 7.162 3.258 753 HB2 LEU 97 1HB LEU 97 3.778 6.430 5.636 754 HB3 LEU 97 2HB LEU 97 3.234 5.298 4.400 755 HG LEU 97 HG LEU 97 4.783 7.660 3.492 756 HD11 LEU 97 1HD1 LEU 97 6.896 6.715 4.065 757 HD12 LEU 97 2HD1 LEU 97 6.133 5.284 4.759 758 HD13 LEU 97 3HD1 LEU 97 5.950 6.851 5.547 759 HD21 LEU 97 3HD2 LEU 97 5.037 6.418 1.658 760 HD22 LEU 97 1HD2 LEU 97 3.815 5.347 2.345 761 HD23 LEU 97 2HD2 LEU 97 5.528 4.999 2.585 762 H SER 98 H SER 98 1.312 4.886 4.338 763 HA SER 98 HA SER 98 -0.895 5.646 6.132 764 HB2 SER 98 1HB SER 98 -1.509 4.808 3.845 765 HB3 SER 98 2HB SER 98 -0.782 3.260 4.275 766 HG SER 98 HG SER 98 -3.221 3.899 4.688 767 H ASP 99 H ASP 99 -1.729 3.706 7.438 768 HA ASP 99 HA ASP 99 0.337 2.865 9.176 769 HB2 ASP 99 1HB ASP 99 -2.584 2.218 8.926 770 HB3 ASP 99 2HB ASP 99 -1.571 1.326 10.059 771 HA PRO 100 HA PRO 100 1.775 -0.787 7.180 772 HB2 PRO 100 1HB PRO 100 2.838 -2.049 9.336 773 HB3 PRO 100 2HB PRO 100 3.596 -0.646 8.574 774 HG2 PRO 100 1HG PRO 100 1.891 -0.776 11.031 775 HG3 PRO 100 2HG PRO 100 3.383 0.142 10.751 776 HD2 PRO 100 1HD PRO 100 0.927 1.276 10.619 777 HD3 PRO 100 2HD PRO 100 2.285 1.820 9.613 778 H ILE 101 H ILE 101 0.263 -2.176 6.470 779 HA ILE 101 HA ILE 101 -1.612 -3.428 8.277 780 HB ILE 101 HB ILE 101 -1.201 -3.779 5.306 781 HG12 ILE 101 1HG1 ILE 101 -3.362 -2.321 6.843 782 HG13 ILE 101 2HG1 ILE 101 -2.007 -1.544 6.029 783 HG21 ILE 101 1HG2 ILE 101 -3.729 -4.637 5.821 784 HG22 ILE 101 2HG2 ILE 101 -2.329 -5.690 5.629 785 HG23 ILE 101 3HG2 ILE 101 -2.863 -5.220 7.242 786 HD11 ILE 101 3HD1 ILE 101 -3.798 -1.321 4.558 787 HD12 ILE 101 1HD1 ILE 101 -2.865 -2.670 3.911 788 HD13 ILE 101 2HD1 ILE 101 -4.342 -2.977 4.824 789 H LEU 102 H LEU 102 -1.666 -5.542 8.901 790 HA LEU 102 HA LEU 102 0.774 -7.091 8.395 791 HB2 LEU 102 1HB LEU 102 -1.175 -6.925 10.624 792 HB3 LEU 102 2HB LEU 102 -0.415 -8.487 10.328 793 HG LEU 102 HG LEU 102 1.810 -7.273 10.508 794 HD11 LEU 102 1HD1 LEU 102 0.655 -5.005 10.250 795 HD12 LEU 102 2HD1 LEU 102 1.924 -5.148 11.466 796 HD13 LEU 102 3HD1 LEU 102 0.229 -5.174 11.953 797 HD21 LEU 102 3HD2 LEU 102 1.522 -7.089 13.077 798 HD22 LEU 102 1HD2 LEU 102 1.310 -8.656 12.296 799 HD23 LEU 102 2HD2 LEU 102 -0.101 -7.709 12.770 800 H PHE 103 H PHE 103 0.469 -8.253 6.576 801 HA PHE 103 HA PHE 103 -1.857 -10.058 6.524 802 HB2 PHE 103 1HB PHE 103 -2.388 -8.587 4.794 803 HB3 PHE 103 2HB PHE 103 -0.704 -8.370 4.329 804 HD1 PHE 103 2HD PHE 103 0.411 -9.973 2.903 805 HD2 PHE 103 1HD PHE 103 -3.662 -10.488 4.025 806 HE1 PHE 103 2HE PHE 103 0.140 -11.661 1.133 807 HE2 PHE 103 1HE PHE 103 -3.940 -12.177 2.258 808 HZ PHE 103 HZ PHE 103 -2.038 -12.765 0.808 809 H ARG 104 H ARG 104 -1.174 -12.068 6.807 810 HA ARG 104 HA ARG 104 1.541 -12.826 6.145 811 HB2 ARG 104 1HB ARG 104 0.037 -13.547 8.200 812 HB3 ARG 104 2HB ARG 104 -0.490 -14.801 7.086 813 HG2 ARG 104 1HG ARG 104 1.516 -15.865 7.112 814 HG3 ARG 104 2HG ARG 104 2.427 -14.378 7.384 815 HD2 ARG 104 1HD ARG 104 2.161 -14.467 9.649 816 HD3 ARG 104 2HD ARG 104 0.610 -15.301 9.542 817 HE ARG 104 HE ARG 104 3.243 -16.507 9.604 818 HH11 ARG 104 1HH1 ARG 104 -0.150 -16.924 8.943 819 HH12 ARG 104 2HH1 ARG 104 -0.104 -18.648 9.115 820 HH21 ARG 104 1HH2 ARG 104 3.315 -18.775 9.833 821 HH22 ARG 104 2HH2 ARG 104 1.867 -19.699 9.622 822 H THR 105 H THR 105 2.149 -13.760 4.311 823 HA THR 105 HA THR 105 0.386 -14.212 2.169 824 HB THR 105 HB THR 105 2.460 -15.617 1.314 825 HG1 THR 105 1HG THR 105 4.294 -15.265 2.435 826 HG21 THR 105 3HG2 THR 105 3.062 -13.747 0.183 827 HG22 THR 105 1HG2 THR 105 3.167 -12.767 1.644 828 HG23 THR 105 2HG2 THR 105 1.595 -13.098 0.915 829 H LEU 106 H LEU 106 0.139 -16.301 1.003 830 HA LEU 106 HA LEU 106 -0.939 -18.273 2.766 831 HB2 LEU 106 1HB LEU 106 -0.787 -17.847 -0.156 832 HB3 LEU 106 2HB LEU 106 -0.989 -19.511 0.388 833 HG LEU 106 HG LEU 106 -2.837 -17.216 1.042 834 HD11 LEU 106 1HD1 LEU 106 -2.868 -19.344 -1.050 835 HD12 LEU 106 2HD1 LEU 106 -3.289 -17.636 -1.175 836 HD13 LEU 106 3HD1 LEU 106 -4.387 -18.758 -0.372 837 HD21 LEU 106 3HD2 LEU 106 -2.449 -19.730 2.302 838 HD22 LEU 106 1HD2 LEU 106 -3.992 -19.775 1.449 839 HD23 LEU 106 2HD2 LEU 106 -3.677 -18.508 2.635 840 H LYS 107 H LYS 107 -0.409 -20.697 1.824 841 HA LYS 107 HA LYS 107 2.512 -21.000 2.079 842 HB2 LYS 107 1HB LYS 107 0.398 -22.871 3.161 843 HB3 LYS 107 2HB LYS 107 2.138 -23.052 3.339 844 HG2 LYS 107 1HG LYS 107 1.577 -22.168 5.372 845 HG3 LYS 107 2HG LYS 107 1.971 -20.702 4.470 846 HD2 LYS 107 1HD LYS 107 -0.254 -20.087 4.249 847 HD3 LYS 107 2HD LYS 107 -0.839 -21.732 4.512 848 HE2 LYS 107 1HE LYS 107 -1.367 -20.747 6.521 849 HE3 LYS 107 2HE LYS 107 0.226 -21.411 6.879 850 HZ1 LYS 107 3HZ LYS 107 0.897 -19.012 5.964 851 HZ2 LYS 107 1HZ LYS 107 0.590 -19.325 7.598 852 HZ3 LYS 107 2HZ LYS 107 -0.614 -18.642 6.627 853 H VAL 108 H VAL 108 3.509 -22.213 0.584 854 HA VAL 108 HA VAL 108 2.001 -23.177 -1.662 855 HB VAL 108 HB VAL 108 4.307 -23.992 -2.426 856 HG11 VAL 108 1HG1 VAL 108 3.278 -21.954 -3.261 857 HG12 VAL 108 2HG1 VAL 108 3.873 -21.061 -1.860 858 HG13 VAL 108 3HG1 VAL 108 5.011 -21.721 -3.035 859 HG21 VAL 108 3HG2 VAL 108 5.159 -23.914 -0.002 860 HG22 VAL 108 1HG2 VAL 108 6.225 -23.322 -1.277 861 HG23 VAL 108 2HG2 VAL 108 5.337 -22.180 -0.268 862 H SER 109 H SER 109 0.799 -24.693 -0.120 863 HA SER 109 HA SER 109 2.034 -26.988 0.929 864 HB2 SER 109 1HB SER 109 -0.166 -27.862 1.234 865 HB3 SER 109 2HB SER 109 -0.293 -26.117 1.457 866 HG SER 109 HG SER 109 -1.078 -25.966 -0.671 867 H GLY 110 H GLY 110 0.382 -26.445 -2.173 868 HA2 GLY 110 1HA GLY 110 0.834 -27.448 -4.219 869 HA3 GLY 110 2HA GLY 110 2.028 -28.464 -3.426 870 HA PRO 111 HA PRO 111 -2.112 -30.690 -4.300 871 HB2 PRO 111 1HB PRO 111 -1.431 -32.001 -6.578 872 HB3 PRO 111 2HB PRO 111 -2.199 -30.410 -6.579 873 HG2 PRO 111 1HG PRO 111 0.690 -31.118 -6.908 874 HG3 PRO 111 2HG PRO 111 -0.280 -29.934 -7.803 875 HD2 PRO 111 1HD PRO 111 1.406 -29.224 -5.807 876 HD3 PRO 111 2HD PRO 111 -0.098 -28.343 -6.145 877 H SER 112 H SER 112 -1.301 -31.778 -2.395 878 HA SER 112 HA SER 112 0.515 -34.021 -2.872 879 HB2 SER 112 1HB SER 112 0.829 -32.465 -0.902 880 HB3 SER 112 2HB SER 112 -0.659 -33.133 -0.231 881 HG SER 112 HG SER 112 1.343 -34.905 -1.048 882 H SER 113 H SER 113 -0.622 -35.629 -3.826 883 HA SER 113 HA SER 113 -3.220 -36.391 -2.725 884 HB2 SER 113 1HB SER 113 -3.257 -36.271 -5.097 885 HB3 SER 113 2HB SER 113 -1.742 -37.163 -5.240 886 HG SER 113 HG SER 113 -2.774 -39.004 -4.934 887 H GLY 114 H GLY 114 -0.231 -38.068 -3.734 888 HA2 GLY 114 1HA GLY 114 -0.898 -40.337 -2.054 889 HA3 GLY 114 2HA GLY 114 0.501 -40.192 -3.107 Start of MODEL 3 1 H1 GLY 1 H GLY 1 7.269 34.789 2.418 2 HA2 GLY 1 1HA GLY 1 8.528 32.237 2.901 3 HA3 GLY 1 2HA GLY 1 6.957 32.404 3.672 4 H SER 2 H SER 2 8.523 31.385 0.934 5 HA SER 2 HA SER 2 6.520 32.056 -1.011 6 HB2 SER 2 1HB SER 2 8.892 31.675 -1.630 7 HB3 SER 2 2HB SER 2 8.723 29.983 -1.165 8 HG SER 2 HG SER 2 7.810 29.605 -3.012 9 H SER 3 H SER 3 4.697 31.005 -1.455 10 HA SER 3 HA SER 3 4.413 28.209 -0.608 11 HB2 SER 3 1HB SER 3 2.464 30.447 -0.020 12 HB3 SER 3 2HB SER 3 2.080 28.735 0.160 13 HG SER 3 HG SER 3 4.215 30.061 1.480 14 H GLY 4 H GLY 4 3.969 27.061 -2.363 15 HA2 GLY 4 1HA GLY 4 1.835 27.903 -4.141 16 HA3 GLY 4 2HA GLY 4 3.428 27.817 -4.878 17 H SER 5 H SER 5 4.597 25.692 -4.514 18 HA SER 5 HA SER 5 2.776 23.562 -5.260 19 HB2 SER 5 1HB SER 5 5.799 23.563 -5.072 20 HB3 SER 5 2HB SER 5 4.808 22.296 -5.796 21 HG SER 5 HG SER 5 4.180 23.731 -7.390 22 H SER 6 H SER 6 1.818 22.440 -3.702 23 HA SER 6 HA SER 6 3.461 21.412 -1.504 24 HB2 SER 6 1HB SER 6 0.807 22.828 -1.191 25 HB3 SER 6 2HB SER 6 1.549 21.851 0.076 26 HG SER 6 HG SER 6 3.104 23.323 0.330 27 H GLY 7 H GLY 7 3.422 19.292 -1.944 28 HA2 GLY 7 1HA GLY 7 1.451 17.884 -3.306 29 HA3 GLY 7 2HA GLY 7 2.603 17.162 -2.192 30 HA PRO 8 HA PRO 8 -1.716 16.623 -0.522 31 HB2 PRO 8 1HB PRO 8 -1.503 13.945 -0.128 32 HB3 PRO 8 2HB PRO 8 -2.035 14.652 -1.659 33 HG2 PRO 8 1HG PRO 8 0.666 13.617 -0.886 34 HG3 PRO 8 2HG PRO 8 -0.228 13.389 -2.400 35 HD2 PRO 8 1HD PRO 8 1.768 15.201 -2.147 36 HD3 PRO 8 2HD PRO 8 0.374 15.459 -3.215 37 H THR 9 H THR 9 -2.197 16.591 1.621 38 HA THR 9 HA THR 9 0.049 16.189 3.470 39 HB THR 9 HB THR 9 -1.403 17.434 5.110 40 HG1 THR 9 1HG THR 9 -3.100 18.703 4.002 41 HG21 THR 9 3HG2 THR 9 -0.660 19.499 4.386 42 HG22 THR 9 1HG2 THR 9 -1.019 19.154 2.695 43 HG23 THR 9 2HG2 THR 9 0.383 18.413 3.468 44 H SER 10 H SER 10 -2.014 14.206 2.260 45 HA SER 10 HA SER 10 -2.445 12.777 4.773 46 HB2 SER 10 1HB SER 10 -4.540 14.107 4.037 47 HB3 SER 10 2HB SER 10 -4.676 12.905 2.754 48 HG SER 10 HG SER 10 -4.610 12.378 5.544 49 H ALA 11 H ALA 11 -3.017 10.483 4.412 50 HA ALA 11 HA ALA 11 -1.652 9.478 2.012 51 HB1 ALA 11 3HB ALA 11 -0.617 8.048 3.355 52 HB2 ALA 11 1HB ALA 11 -1.405 8.821 4.732 53 HB3 ALA 11 2HB ALA 11 -2.159 7.431 3.949 54 HA PRO 12 HA PRO 12 -5.190 7.463 0.375 55 HB2 PRO 12 1HB PRO 12 -4.319 4.960 -0.214 56 HB3 PRO 12 2HB PRO 12 -3.820 6.391 -1.125 57 HG2 PRO 12 1HG PRO 12 -2.370 4.927 1.047 58 HG3 PRO 12 2HG PRO 12 -1.740 5.575 -0.479 59 HD2 PRO 12 1HD PRO 12 -1.430 6.855 1.887 60 HD3 PRO 12 2HD PRO 12 -1.598 7.722 0.347 61 H LYS 13 H LYS 13 -6.817 5.819 0.681 62 HA LYS 13 HA LYS 13 -6.673 4.481 3.302 63 HB2 LYS 13 1HB LYS 13 -9.158 4.874 3.456 64 HB3 LYS 13 2HB LYS 13 -8.162 6.317 3.597 65 HG2 LYS 13 1HG LYS 13 -8.582 6.573 1.062 66 HG3 LYS 13 2HG LYS 13 -9.914 5.448 1.337 67 HD2 LYS 13 1HD LYS 13 -10.958 7.488 1.616 68 HD3 LYS 13 2HD LYS 13 -10.523 7.081 3.278 69 HE2 LYS 13 1HE LYS 13 -8.652 8.679 1.575 70 HE3 LYS 13 2HE LYS 13 -10.024 9.462 2.358 71 HZ1 LYS 13 3HZ LYS 13 -8.501 9.691 3.996 72 HZ2 LYS 13 1HZ LYS 13 -7.611 8.327 3.538 73 HZ3 LYS 13 2HZ LYS 13 -9.045 8.145 4.416 74 H ASP 14 H ASP 14 -8.855 2.971 3.327 75 HA ASP 14 HA ASP 14 -9.667 0.959 2.640 76 HB2 ASP 14 1HB ASP 14 -10.592 2.595 0.879 77 HB3 ASP 14 2HB ASP 14 -9.360 1.933 -0.192 78 H LEU 15 H LEU 15 -6.791 1.248 2.936 79 HA LEU 15 HA LEU 15 -5.483 -0.181 0.841 80 HB2 LEU 15 1HB LEU 15 -4.324 1.375 2.362 81 HB3 LEU 15 2HB LEU 15 -4.615 0.260 3.695 82 HG LEU 15 HG LEU 15 -3.178 -1.402 2.634 83 HD11 LEU 15 1HD1 LEU 15 -1.739 -0.295 0.691 84 HD12 LEU 15 2HD1 LEU 15 -3.261 0.548 0.406 85 HD13 LEU 15 3HD1 LEU 15 -3.210 -1.214 0.374 86 HD21 LEU 15 3HD2 LEU 15 -1.370 0.879 2.460 87 HD22 LEU 15 1HD2 LEU 15 -1.361 -0.495 3.565 88 HD23 LEU 15 2HD2 LEU 15 -2.386 0.900 3.902 89 H THR 16 H THR 16 -6.059 -2.213 0.404 90 HA THR 16 HA THR 16 -6.098 -4.137 2.628 91 HB THR 16 HB THR 16 -7.996 -4.271 0.281 92 HG1 THR 16 1HG THR 16 -8.204 -3.028 2.780 93 HG21 THR 16 3HG2 THR 16 -7.186 -6.167 2.223 94 HG22 THR 16 1HG2 THR 16 -8.447 -6.329 1.002 95 HG23 THR 16 2HG2 THR 16 -8.843 -5.699 2.601 96 H VAL 17 H VAL 17 -5.282 -6.175 2.181 97 HA VAL 17 HA VAL 17 -4.077 -6.534 -0.484 98 HB VAL 17 HB VAL 17 -2.832 -7.285 2.165 99 HG11 VAL 17 1HG1 VAL 17 -2.470 -8.813 0.132 100 HG12 VAL 17 2HG1 VAL 17 -1.513 -7.482 -0.521 101 HG13 VAL 17 3HG1 VAL 17 -1.048 -8.240 1.003 102 HG21 VAL 17 3HG2 VAL 17 -1.241 -5.573 1.787 103 HG22 VAL 17 1HG2 VAL 17 -1.815 -5.305 0.141 104 HG23 VAL 17 2HG2 VAL 17 -2.822 -4.842 1.512 105 H ILE 18 H ILE 18 -4.853 -8.266 -1.474 106 HA ILE 18 HA ILE 18 -5.650 -10.587 0.158 107 HB ILE 18 HB ILE 18 -7.381 -11.078 -1.561 108 HG12 ILE 18 1HG1 ILE 18 -6.965 -8.240 -2.497 109 HG13 ILE 18 2HG1 ILE 18 -6.230 -9.616 -3.313 110 HG21 ILE 18 1HG2 ILE 18 -8.055 -8.367 -0.573 111 HG22 ILE 18 2HG2 ILE 18 -8.960 -9.875 -0.455 112 HG23 ILE 18 3HG2 ILE 18 -7.597 -9.579 0.624 113 HD11 ILE 18 3HD1 ILE 18 -9.182 -9.198 -2.909 114 HD12 ILE 18 1HD1 ILE 18 -8.290 -8.895 -4.400 115 HD13 ILE 18 2HD1 ILE 18 -8.426 -10.538 -3.771 116 H THR 19 H THR 19 -5.109 -12.601 -0.594 117 HA THR 19 HA THR 19 -2.929 -12.732 -2.450 118 HB THR 19 HB THR 19 -3.088 -14.201 -0.444 119 HG1 THR 19 1HG THR 19 -1.710 -14.947 -1.993 120 HG21 THR 19 3HG2 THR 19 -5.560 -14.636 -0.732 121 HG22 THR 19 1HG2 THR 19 -4.578 -16.054 -0.371 122 HG23 THR 19 2HG2 THR 19 -5.130 -15.761 -2.020 123 H ARG 20 H ARG 20 -2.982 -13.150 -4.563 124 HA ARG 20 HA ARG 20 -5.331 -13.167 -6.054 125 HB2 ARG 20 1HB ARG 20 -2.487 -13.877 -6.640 126 HB3 ARG 20 2HB ARG 20 -3.720 -14.253 -7.836 127 HG2 ARG 20 1HG ARG 20 -4.391 -11.737 -7.434 128 HG3 ARG 20 2HG ARG 20 -2.710 -11.620 -6.913 129 HD2 ARG 20 1HD ARG 20 -2.746 -11.095 -9.226 130 HD3 ARG 20 2HD ARG 20 -2.072 -12.718 -9.083 131 HE ARG 20 HE ARG 20 -4.917 -12.636 -9.554 132 HH11 ARG 20 1HH1 ARG 20 -1.748 -12.737 -10.991 133 HH12 ARG 20 2HH1 ARG 20 -2.305 -13.406 -12.489 134 HH21 ARG 20 1HH2 ARG 20 -5.663 -13.517 -11.522 135 HH22 ARG 20 2HH2 ARG 20 -4.532 -13.848 -12.790 136 H GLU 21 H GLU 21 -6.307 -14.837 -7.332 137 HA GLU 21 HA GLU 21 -6.498 -17.335 -5.881 138 HB2 GLU 21 1HB GLU 21 -8.439 -17.772 -7.148 139 HB3 GLU 21 2HB GLU 21 -8.473 -16.042 -6.837 140 HG2 GLU 21 1HG GLU 21 -7.392 -17.216 -9.380 141 HG3 GLU 21 2HG GLU 21 -9.086 -16.776 -9.167 142 H GLY 22 H GLY 22 -5.008 -16.126 -8.760 143 HA2 GLY 22 1HA GLY 22 -4.592 -18.784 -9.875 144 HA3 GLY 22 2HA GLY 22 -4.078 -17.261 -10.586 145 H LYS 23 H LYS 23 -2.951 -16.594 -7.804 146 HA LYS 23 HA LYS 23 -0.726 -18.434 -7.586 147 HB2 LYS 23 1HB LYS 23 -0.293 -15.550 -8.384 148 HB3 LYS 23 2HB LYS 23 0.978 -16.667 -7.903 149 HG2 LYS 23 1HG LYS 23 0.288 -18.124 -9.826 150 HG3 LYS 23 2HG LYS 23 -0.760 -16.805 -10.352 151 HD2 LYS 23 1HD LYS 23 1.130 -16.347 -11.570 152 HD3 LYS 23 2HD LYS 23 1.448 -15.394 -10.118 153 HE2 LYS 23 1HE LYS 23 2.919 -17.045 -9.255 154 HE3 LYS 23 2HE LYS 23 2.421 -18.220 -10.472 155 HZ1 LYS 23 3HZ LYS 23 4.508 -16.363 -10.613 156 HZ2 LYS 23 1HZ LYS 23 3.367 -15.941 -11.789 157 HZ3 LYS 23 2HZ LYS 23 4.034 -17.495 -11.777 158 HA PRO 24 HA PRO 24 -1.377 -17.158 -3.390 159 HB2 PRO 24 1HB PRO 24 0.681 -18.560 -2.308 160 HB3 PRO 24 2HB PRO 24 -0.833 -19.316 -2.820 161 HG2 PRO 24 1HG PRO 24 1.792 -19.172 -4.252 162 HG3 PRO 24 2HG PRO 24 0.682 -20.545 -4.085 163 HD2 PRO 24 1HD PRO 24 0.792 -19.025 -6.323 164 HD3 PRO 24 2HD PRO 24 -0.709 -19.787 -5.759 165 H ARG 25 H ARG 25 2.003 -17.299 -4.537 166 HA ARG 25 HA ARG 25 3.037 -15.436 -2.724 167 HB2 ARG 25 1HB ARG 25 3.981 -16.131 -5.511 168 HB3 ARG 25 2HB ARG 25 4.914 -15.213 -4.337 169 HG2 ARG 25 1HG ARG 25 4.836 -17.167 -2.817 170 HG3 ARG 25 2HG ARG 25 4.026 -18.077 -4.093 171 HD2 ARG 25 1HD ARG 25 5.959 -17.702 -5.564 172 HD3 ARG 25 2HD ARG 25 6.767 -16.831 -4.261 173 HE ARG 25 HE ARG 25 7.365 -18.841 -3.371 174 HH11 ARG 25 1HH1 ARG 25 4.646 -19.332 -5.489 175 HH12 ARG 25 2HH1 ARG 25 4.670 -21.058 -5.334 176 HH21 ARG 25 1HH2 ARG 25 7.407 -21.112 -3.159 177 HH22 ARG 25 2HH2 ARG 25 6.241 -22.069 -4.008 178 H ALA 26 H ALA 26 0.925 -14.971 -5.312 179 HA ALA 26 HA ALA 26 1.706 -12.171 -5.687 180 HB1 ALA 26 3HB ALA 26 -0.574 -12.992 -7.250 181 HB2 ALA 26 1HB ALA 26 0.997 -12.393 -7.781 182 HB3 ALA 26 2HB ALA 26 0.773 -14.113 -7.455 183 H VAL 27 H VAL 27 0.383 -10.468 -5.176 184 HA VAL 27 HA VAL 27 -2.228 -11.040 -3.978 185 HB VAL 27 HB VAL 27 -1.774 -9.533 -2.087 186 HG11 VAL 27 1HG1 VAL 27 -1.101 -11.265 -0.844 187 HG12 VAL 27 2HG1 VAL 27 -1.012 -12.158 -2.364 188 HG13 VAL 27 3HG1 VAL 27 0.434 -11.396 -1.701 189 HG21 VAL 27 3HG2 VAL 27 1.132 -9.641 -2.856 190 HG22 VAL 27 1HG2 VAL 27 0.076 -8.305 -3.315 191 HG23 VAL 27 2HG2 VAL 27 0.365 -8.655 -1.610 192 H ILE 28 H ILE 28 -3.637 -9.204 -3.868 193 HA ILE 28 HA ILE 28 -2.899 -7.093 -5.785 194 HB ILE 28 HB ILE 28 -5.727 -7.817 -5.067 195 HG12 ILE 28 1HG1 ILE 28 -4.510 -9.835 -5.913 196 HG13 ILE 28 2HG1 ILE 28 -5.830 -9.312 -6.954 197 HG21 ILE 28 1HG2 ILE 28 -4.383 -6.027 -6.956 198 HG22 ILE 28 2HG2 ILE 28 -5.687 -6.983 -7.658 199 HG23 ILE 28 3HG2 ILE 28 -6.005 -5.944 -6.269 200 HD11 ILE 28 3HD1 ILE 28 -4.456 -9.122 -8.671 201 HD12 ILE 28 1HD1 ILE 28 -3.394 -8.047 -7.763 202 HD13 ILE 28 2HD1 ILE 28 -3.173 -9.794 -7.666 203 H VAL 29 H VAL 29 -2.134 -5.488 -4.499 204 HA VAL 29 HA VAL 29 -3.499 -4.751 -2.054 205 HB VAL 29 HB VAL 29 -1.185 -3.370 -3.420 206 HG11 VAL 29 1HG1 VAL 29 -2.785 -2.418 -1.419 207 HG12 VAL 29 2HG1 VAL 29 -1.469 -3.173 -0.516 208 HG13 VAL 29 3HG1 VAL 29 -1.118 -1.924 -1.711 209 HG21 VAL 29 3HG2 VAL 29 -1.329 -5.844 -1.915 210 HG22 VAL 29 1HG2 VAL 29 0.008 -5.162 -2.840 211 HG23 VAL 29 2HG2 VAL 29 -0.242 -4.676 -1.164 212 H SER 30 H SER 30 -5.328 -3.629 -2.198 213 HA SER 30 HA SER 30 -5.634 -1.652 -4.344 214 HB2 SER 30 1HB SER 30 -8.012 -1.756 -3.920 215 HB3 SER 30 2HB SER 30 -7.398 -3.405 -4.044 216 HG SER 30 HG SER 30 -8.606 -3.441 -2.242 217 H TRP 31 H TRP 31 -6.974 0.319 -3.679 218 HA TRP 31 HA TRP 31 -6.945 1.265 -1.030 219 HB2 TRP 31 1HB TRP 31 -5.141 2.897 -1.124 220 HB3 TRP 31 2HB TRP 31 -4.498 1.279 -1.387 221 HD1 TRP 31 HD TRP 31 -5.222 4.546 -3.274 222 HE1 TRP 31 1HE TRP 31 -3.820 4.566 -5.433 223 HE3 TRP 31 3HE TRP 31 -3.330 -0.198 -3.056 224 HZ2 TRP 31 2HZ TRP 31 -2.135 2.803 -6.855 225 HZ3 TRP 31 3HZ TRP 31 -1.831 -0.954 -4.855 226 HH2 TRP 31 HH TRP 31 -1.248 0.517 -6.715 227 H GLN 32 H GLN 32 -7.135 3.802 -1.058 228 HA GLN 32 HA GLN 32 -8.622 4.618 -3.461 229 HB2 GLN 32 1HB GLN 32 -9.524 4.557 -0.628 230 HB3 GLN 32 2HB GLN 32 -10.018 5.936 -1.601 231 HG2 GLN 32 1HG GLN 32 -11.486 3.762 -1.436 232 HG3 GLN 32 2HG GLN 32 -11.379 4.696 -2.928 233 HE21 GLN 32 1HE2 GLN 32 -10.698 3.713 -4.717 234 HE22 GLN 32 2HE2 GLN 32 -10.041 2.117 -4.790 235 HA PRO 33 HA PRO 33 -6.364 8.376 -3.328 236 HB2 PRO 33 1HB PRO 33 -8.206 10.165 -4.208 237 HB3 PRO 33 2HB PRO 33 -7.446 8.970 -5.266 238 HG2 PRO 33 1HG PRO 33 -10.131 8.894 -3.944 239 HG3 PRO 33 2HG PRO 33 -9.686 8.440 -5.600 240 HD2 PRO 33 1HD PRO 33 -10.050 6.612 -3.636 241 HD3 PRO 33 2HD PRO 33 -8.882 6.379 -4.953 242 HA PRO 34 HA PRO 34 -7.201 10.222 0.612 243 HB2 PRO 34 1HB PRO 34 -5.376 12.226 0.463 244 HB3 PRO 34 2HB PRO 34 -4.931 10.542 0.763 245 HG2 PRO 34 1HG PRO 34 -4.847 12.096 -1.794 246 HG3 PRO 34 2HG PRO 34 -3.650 10.968 -1.131 247 HD2 PRO 34 1HD PRO 34 -5.401 10.259 -3.071 248 HD3 PRO 34 2HD PRO 34 -4.815 9.113 -1.848 249 H LEU 35 H LEU 35 -8.234 12.021 1.485 250 HA LEU 35 HA LEU 35 -9.877 13.506 -0.308 251 HB2 LEU 35 1HB LEU 35 -9.514 13.340 2.633 252 HB3 LEU 35 2HB LEU 35 -10.299 14.779 1.986 253 HG LEU 35 HG LEU 35 -12.001 13.252 2.650 254 HD11 LEU 35 1HD1 LEU 35 -11.880 12.828 -0.309 255 HD12 LEU 35 2HD1 LEU 35 -12.098 14.444 0.361 256 HD13 LEU 35 3HD1 LEU 35 -13.273 13.178 0.716 257 HD21 LEU 35 3HD2 LEU 35 -10.987 11.166 2.808 258 HD22 LEU 35 1HD2 LEU 35 -10.357 11.238 1.162 259 HD23 LEU 35 2HD2 LEU 35 -12.080 10.979 1.436 260 H GLU 36 H GLU 36 -7.197 14.392 1.855 261 HA GLU 36 HA GLU 36 -7.162 17.103 0.843 262 HB2 GLU 36 1HB GLU 36 -5.149 15.784 2.665 263 HB3 GLU 36 2HB GLU 36 -5.418 17.506 2.442 264 HG2 GLU 36 1HG GLU 36 -7.695 17.211 3.394 265 HG3 GLU 36 2HG GLU 36 -7.277 15.535 3.747 266 H ALA 37 H ALA 37 -6.686 14.970 -1.059 267 HA ALA 37 HA ALA 37 -4.032 14.520 -1.702 268 HB1 ALA 37 3HB ALA 37 -6.436 13.900 -2.842 269 HB2 ALA 37 1HB ALA 37 -5.727 14.988 -4.036 270 HB3 ALA 37 2HB ALA 37 -4.856 13.538 -3.536 271 H ASN 38 H ASN 38 -5.841 17.437 -1.891 272 HA ASN 38 HA ASN 38 -5.400 19.516 -2.719 273 HB2 ASN 38 1HB ASN 38 -2.614 18.563 -2.033 274 HB3 ASN 38 2HB ASN 38 -2.990 20.225 -2.478 275 HD21 ASN 38 1HD2 ASN 38 -2.340 18.386 0.057 276 HD22 ASN 38 2HD2 ASN 38 -3.272 19.172 1.282 277 H GLY 39 H GLY 39 -5.416 17.228 -4.629 278 HA2 GLY 39 1HA GLY 39 -5.217 18.322 -7.029 279 HA3 GLY 39 2HA GLY 39 -3.513 18.087 -6.671 280 H LYS 40 H LYS 40 -6.064 16.777 -8.239 281 HA LYS 40 HA LYS 40 -6.363 14.164 -7.793 282 HB2 LYS 40 1HB LYS 40 -7.350 15.146 -9.739 283 HB3 LYS 40 2HB LYS 40 -5.774 15.485 -10.442 284 HG2 LYS 40 1HG LYS 40 -5.498 12.883 -10.311 285 HG3 LYS 40 2HG LYS 40 -7.263 12.913 -10.269 286 HD2 LYS 40 1HD LYS 40 -7.259 14.256 -12.339 287 HD3 LYS 40 2HD LYS 40 -5.498 14.142 -12.389 288 HE2 LYS 40 1HE LYS 40 -6.357 12.483 -13.862 289 HE3 LYS 40 2HE LYS 40 -5.755 11.649 -12.430 290 HZ1 LYS 40 3HZ LYS 40 -8.147 11.197 -13.485 291 HZ2 LYS 40 1HZ LYS 40 -8.559 12.411 -12.381 292 HZ3 LYS 40 2HZ LYS 40 -7.812 10.994 -11.839 293 H ILE 41 H ILE 41 -4.932 12.738 -7.051 294 HA ILE 41 HA ILE 41 -2.212 12.752 -7.207 295 HB ILE 41 HB ILE 41 -3.890 10.244 -7.315 296 HG12 ILE 41 1HG1 ILE 41 -4.745 11.395 -5.468 297 HG13 ILE 41 2HG1 ILE 41 -3.484 10.392 -4.758 298 HG21 ILE 41 1HG2 ILE 41 -2.010 9.090 -7.044 299 HG22 ILE 41 2HG2 ILE 41 -1.125 10.577 -7.382 300 HG23 ILE 41 3HG2 ILE 41 -1.493 10.130 -5.717 301 HD11 ILE 41 3HD1 ILE 41 -3.110 12.419 -3.752 302 HD12 ILE 41 1HD1 ILE 41 -1.995 12.491 -5.117 303 HD13 ILE 41 2HD1 ILE 41 -3.541 13.337 -5.194 304 H THR 42 H THR 42 -0.660 12.219 -8.644 305 HA THR 42 HA THR 42 -1.555 11.373 -11.320 306 HB THR 42 HB THR 42 0.407 12.460 -12.237 307 HG1 THR 42 1HG THR 42 1.103 13.577 -9.759 308 HG21 THR 42 3HG2 THR 42 -0.671 14.482 -10.311 309 HG22 THR 42 1HG2 THR 42 -1.729 13.767 -11.526 310 HG23 THR 42 2HG2 THR 42 -0.293 14.662 -12.024 311 H ALA 43 H ALA 43 0.423 10.568 -8.624 312 HA ALA 43 HA ALA 43 1.156 8.060 -9.890 313 HB1 ALA 43 3HB ALA 43 3.353 9.695 -8.657 314 HB2 ALA 43 1HB ALA 43 3.483 8.244 -9.651 315 HB3 ALA 43 2HB ALA 43 2.981 9.770 -10.379 316 H TYR 44 H TYR 44 1.098 6.423 -8.472 317 HA TYR 44 HA TYR 44 0.924 7.107 -5.613 318 HB2 TYR 44 1HB TYR 44 -0.358 4.912 -7.230 319 HB3 TYR 44 2HB TYR 44 -0.257 4.832 -5.474 320 HD1 TYR 44 2HD TYR 44 -1.119 7.040 -4.251 321 HD2 TYR 44 1HD TYR 44 -2.271 5.806 -8.156 322 HE1 TYR 44 2HE TYR 44 -3.166 8.391 -4.067 323 HE2 TYR 44 1HE TYR 44 -4.320 7.154 -7.984 324 HH TYR 44 HH TYR 44 -5.779 8.047 -6.047 325 H ILE 45 H ILE 45 2.613 6.546 -4.429 326 HA ILE 45 HA ILE 45 4.388 4.416 -5.393 327 HB ILE 45 HB ILE 45 4.974 6.380 -3.183 328 HG12 ILE 45 1HG1 ILE 45 6.440 7.376 -5.148 329 HG13 ILE 45 2HG1 ILE 45 5.189 6.652 -6.153 330 HG21 ILE 45 1HG2 ILE 45 6.832 4.769 -4.925 331 HG22 ILE 45 2HG2 ILE 45 7.269 5.768 -3.540 332 HG23 ILE 45 3HG2 ILE 45 6.322 4.299 -3.304 333 HD11 ILE 45 3HD1 ILE 45 3.590 8.110 -5.450 334 HD12 ILE 45 1HD1 ILE 45 4.350 8.364 -3.879 335 HD13 ILE 45 2HD1 ILE 45 5.020 9.134 -5.318 336 H LEU 46 H LEU 46 4.212 2.482 -4.494 337 HA LEU 46 HA LEU 46 3.031 2.259 -1.815 338 HB2 LEU 46 1HB LEU 46 1.800 0.975 -3.347 339 HB3 LEU 46 2HB LEU 46 3.256 0.359 -4.127 340 HG LEU 46 HG LEU 46 3.688 -0.821 -1.867 341 HD11 LEU 46 1HD1 LEU 46 1.380 -1.445 -0.873 342 HD12 LEU 46 2HD1 LEU 46 0.847 0.072 -1.596 343 HD13 LEU 46 3HD1 LEU 46 2.142 0.073 -0.398 344 HD21 LEU 46 3HD2 LEU 46 3.150 -1.977 -3.944 345 HD22 LEU 46 1HD2 LEU 46 1.431 -1.687 -3.672 346 HD23 LEU 46 2HD2 LEU 46 2.334 -2.731 -2.574 347 H PHE 47 H PHE 47 3.980 0.927 -0.233 348 HA PHE 47 HA PHE 47 6.733 0.053 -0.743 349 HB2 PHE 47 1HB PHE 47 5.923 1.591 1.729 350 HB3 PHE 47 2HB PHE 47 7.543 1.055 1.295 351 HD1 PHE 47 1HD PHE 47 4.780 3.074 -0.199 352 HD2 PHE 47 2HD PHE 47 8.962 2.648 0.470 353 HE1 PHE 47 1HE PHE 47 5.178 5.218 -1.339 354 HE2 PHE 47 2HE PHE 47 9.366 4.792 -0.668 355 HZ PHE 47 HZ PHE 47 7.473 6.080 -1.574 356 H TYR 48 H TYR 48 7.291 -1.832 0.218 357 HA TYR 48 HA TYR 48 5.648 -2.909 2.369 358 HB2 TYR 48 1HB TYR 48 5.258 -5.027 1.213 359 HB3 TYR 48 2HB TYR 48 4.548 -3.692 0.312 360 HD1 TYR 48 1HD TYR 48 7.218 -6.208 0.358 361 HD2 TYR 48 2HD TYR 48 5.419 -3.049 -1.851 362 HE1 TYR 48 1HE TYR 48 8.450 -6.918 -1.649 363 HE2 TYR 48 2HE TYR 48 6.645 -3.751 -3.864 364 HH TYR 48 HH TYR 48 9.179 -6.090 -3.750 365 H THR 49 H THR 49 6.684 -4.445 3.630 366 HA THR 49 HA THR 49 9.186 -5.613 2.901 367 HB THR 49 HB THR 49 9.863 -3.248 3.432 368 HG1 THR 49 1HG THR 49 11.518 -4.044 5.017 369 HG21 THR 49 3HG2 THR 49 8.980 -4.063 6.202 370 HG22 THR 49 1HG2 THR 49 8.315 -2.757 5.223 371 HG23 THR 49 2HG2 THR 49 9.964 -2.646 5.839 372 H LEU 50 H LEU 50 9.927 -7.140 4.424 373 HA LEU 50 HA LEU 50 7.849 -8.127 6.171 374 HB2 LEU 50 1HB LEU 50 9.168 -10.081 6.394 375 HB3 LEU 50 2HB LEU 50 9.255 -9.585 4.705 376 HG LEU 50 HG LEU 50 11.424 -8.784 6.601 377 HD11 LEU 50 1HD1 LEU 50 12.393 -11.037 5.383 378 HD12 LEU 50 2HD1 LEU 50 10.748 -11.508 5.808 379 HD13 LEU 50 3HD1 LEU 50 11.850 -10.927 7.057 380 HD21 LEU 50 3HD2 LEU 50 11.024 -9.042 3.668 381 HD22 LEU 50 1HD2 LEU 50 12.641 -9.323 4.315 382 HD23 LEU 50 2HD2 LEU 50 11.835 -7.779 4.595 383 H ASP 51 H ASP 51 10.544 -6.095 6.467 384 HA ASP 51 HA ASP 51 10.451 -6.366 9.399 385 HB2 ASP 51 1HB ASP 51 12.796 -6.218 7.564 386 HB3 ASP 51 2HB ASP 51 12.917 -5.404 9.122 387 H LYS 52 H LYS 52 9.809 -4.584 10.399 388 HA LYS 52 HA LYS 52 9.609 -2.096 8.911 389 HB2 LYS 52 1HB LYS 52 8.312 -1.300 10.842 390 HB3 LYS 52 2HB LYS 52 7.683 -2.820 10.219 391 HG2 LYS 52 1HG LYS 52 9.185 -3.886 12.053 392 HG3 LYS 52 2HG LYS 52 9.131 -2.273 12.769 393 HD2 LYS 52 1HD LYS 52 6.669 -3.812 11.965 394 HD3 LYS 52 2HD LYS 52 7.372 -3.885 13.583 395 HE2 LYS 52 1HE LYS 52 6.985 -1.564 13.939 396 HE3 LYS 52 2HE LYS 52 6.560 -1.311 12.247 397 HZ1 LYS 52 3HZ LYS 52 4.627 -2.786 12.615 398 HZ2 LYS 52 1HZ LYS 52 4.571 -1.371 13.540 399 HZ3 LYS 52 2HZ LYS 52 5.005 -2.837 14.263 400 H ASN 53 H ASN 53 11.488 -3.502 11.480 401 HA ASN 53 HA ASN 53 12.495 -1.420 12.884 402 HB2 ASN 53 1HB ASN 53 14.307 -3.543 11.730 403 HB3 ASN 53 2HB ASN 53 14.473 -2.698 13.267 404 HD21 ASN 53 1HD2 ASN 53 13.750 -3.686 15.010 405 HD22 ASN 53 2HD2 ASN 53 12.656 -5.024 15.036 406 H ILE 54 H ILE 54 12.976 -2.042 9.515 407 HA ILE 54 HA ILE 54 15.172 -0.157 9.279 408 HB ILE 54 HB ILE 54 14.850 -0.610 6.787 409 HG12 ILE 54 1HG1 ILE 54 13.169 -2.894 7.836 410 HG13 ILE 54 2HG1 ILE 54 12.498 -1.455 7.076 411 HG21 ILE 54 1HG2 ILE 54 16.103 -2.636 6.888 412 HG22 ILE 54 2HG2 ILE 54 16.562 -1.657 8.281 413 HG23 ILE 54 3HG2 ILE 54 15.462 -3.020 8.485 414 HD11 ILE 54 3HD1 ILE 54 12.822 -2.311 5.067 415 HD12 ILE 54 1HD1 ILE 54 14.531 -2.585 5.405 416 HD13 ILE 54 2HD1 ILE 54 13.339 -3.811 5.837 417 HA PRO 55 HA PRO 55 12.821 3.423 8.320 418 HB2 PRO 55 1HB PRO 55 14.407 4.631 6.478 419 HB3 PRO 55 2HB PRO 55 14.814 4.559 8.197 420 HG2 PRO 55 1HG PRO 55 15.798 2.851 5.943 421 HG3 PRO 55 2HG PRO 55 16.708 3.561 7.289 422 HD2 PRO 55 1HD PRO 55 15.928 0.968 7.266 423 HD3 PRO 55 2HD PRO 55 16.060 1.912 8.764 424 H ILE 56 H ILE 56 11.189 4.009 6.992 425 HA ILE 56 HA ILE 56 10.072 2.453 5.105 426 HB ILE 56 HB ILE 56 9.040 4.524 5.969 427 HG12 ILE 56 1HG1 ILE 56 7.947 5.205 3.816 428 HG13 ILE 56 2HG1 ILE 56 9.135 4.227 2.960 429 HG21 ILE 56 1HG2 ILE 56 10.362 6.147 3.865 430 HG22 ILE 56 2HG2 ILE 56 9.712 6.633 5.429 431 HG23 ILE 56 3HG2 ILE 56 11.269 5.809 5.339 432 HD11 ILE 56 3HD1 ILE 56 6.693 3.439 4.272 433 HD12 ILE 56 1HD1 ILE 56 7.706 2.547 3.137 434 HD13 ILE 56 2HD1 ILE 56 8.074 2.515 4.862 435 H ASP 57 H ASP 57 12.888 4.422 4.678 436 HA ASP 57 HA ASP 57 12.887 4.526 1.844 437 HB2 ASP 57 1HB ASP 57 15.117 4.786 3.866 438 HB3 ASP 57 2HB ASP 57 15.339 5.036 2.137 439 H ASP 58 H ASP 58 14.591 2.416 4.148 440 HA ASP 58 HA ASP 58 15.897 0.816 2.265 441 HB2 ASP 58 1HB ASP 58 16.034 0.949 4.914 442 HB3 ASP 58 2HB ASP 58 14.930 -0.419 4.803 443 H TRP 59 H TRP 59 12.597 0.887 3.267 444 HA TRP 59 HA TRP 59 11.785 -1.716 2.679 445 HB2 TRP 59 1HB TRP 59 10.253 0.875 2.379 446 HB3 TRP 59 2HB TRP 59 9.529 -0.730 2.342 447 HD1 TRP 59 HD TRP 59 12.269 -0.028 4.889 448 HE1 TRP 59 1HE TRP 59 11.233 -0.014 7.245 449 HE3 TRP 59 3HE TRP 59 7.324 -0.223 3.604 450 HZ2 TRP 59 2HZ TRP 59 8.661 -0.078 8.406 451 HZ3 TRP 59 3HZ TRP 59 5.640 -0.244 5.397 452 HH2 TRP 59 HH TRP 59 6.296 -0.173 7.748 453 H ILE 60 H ILE 60 10.040 -1.987 0.784 454 HA ILE 60 HA ILE 60 11.553 -1.505 -1.681 455 HB ILE 60 HB ILE 60 9.318 -3.451 -1.103 456 HG12 ILE 60 1HG1 ILE 60 11.322 -5.034 -1.752 457 HG13 ILE 60 2HG1 ILE 60 12.301 -3.654 -1.266 458 HG21 ILE 60 1HG2 ILE 60 8.952 -3.429 -3.300 459 HG22 ILE 60 2HG2 ILE 60 10.381 -2.442 -3.604 460 HG23 ILE 60 3HG2 ILE 60 10.531 -4.194 -3.474 461 HD11 ILE 60 3HD1 ILE 60 10.541 -5.403 0.375 462 HD12 ILE 60 1HD1 ILE 60 12.187 -4.848 0.682 463 HD13 ILE 60 2HD1 ILE 60 10.830 -3.739 0.884 464 H MET 61 H MET 61 10.964 0.452 -2.461 465 HA MET 61 HA MET 61 8.226 1.347 -2.405 466 HB2 MET 61 1HB MET 61 10.083 2.937 -2.150 467 HB3 MET 61 2HB MET 61 10.648 2.539 -3.767 468 HG2 MET 61 1HG MET 61 8.063 3.241 -4.244 469 HG3 MET 61 2HG MET 61 8.487 4.307 -2.907 470 HE1 MET 61 3HE MET 61 11.161 3.154 -5.856 471 HE2 MET 61 1HE MET 61 9.462 2.882 -6.246 472 HE3 MET 61 2HE MET 61 10.363 4.154 -7.071 473 H GLU 62 H GLU 62 6.878 1.690 -4.188 474 HA GLU 62 HA GLU 62 7.718 0.584 -6.760 475 HB2 GLU 62 1HB GLU 62 5.557 -0.494 -5.009 476 HB3 GLU 62 2HB GLU 62 5.294 -0.492 -6.747 477 HG2 GLU 62 1HG GLU 62 7.399 -1.933 -5.177 478 HG3 GLU 62 2HG GLU 62 6.178 -2.599 -6.260 479 H THR 63 H THR 63 7.227 1.992 -8.293 480 HA THR 63 HA THR 63 5.413 4.170 -7.783 481 HB THR 63 HB THR 63 6.898 3.467 -10.323 482 HG1 THR 63 1HG THR 63 7.769 4.438 -7.985 483 HG21 THR 63 3HG2 THR 63 6.385 6.248 -10.032 484 HG22 THR 63 1HG2 THR 63 4.864 5.386 -9.806 485 HG23 THR 63 2HG2 THR 63 5.801 5.150 -11.282 486 H ILE 64 H ILE 64 3.385 4.447 -8.531 487 HA ILE 64 HA ILE 64 2.325 2.478 -10.441 488 HB ILE 64 HB ILE 64 0.726 3.471 -8.090 489 HG12 ILE 64 1HG1 ILE 64 1.818 0.691 -8.196 490 HG13 ILE 64 2HG1 ILE 64 2.869 1.987 -7.638 491 HG21 ILE 64 1HG2 ILE 64 -0.482 1.242 -8.725 492 HG22 ILE 64 2HG2 ILE 64 -0.785 2.713 -9.648 493 HG23 ILE 64 3HG2 ILE 64 0.316 1.488 -10.278 494 HD11 ILE 64 3HD1 ILE 64 1.787 2.192 -5.687 495 HD12 ILE 64 1HD1 ILE 64 0.202 1.924 -6.414 496 HD13 ILE 64 2HD1 ILE 64 1.247 0.552 -6.042 497 H SER 65 H SER 65 0.672 3.205 -11.796 498 HA SER 65 HA SER 65 0.790 5.924 -12.532 499 HB2 SER 65 1HB SER 65 0.116 3.822 -13.927 500 HB3 SER 65 2HB SER 65 -1.506 4.156 -13.320 501 HG SER 65 HG SER 65 0.151 5.824 -14.897 502 H GLY 66 H GLY 66 -0.365 7.654 -11.932 503 HA2 GLY 66 1HA GLY 66 -1.920 7.666 -9.614 504 HA3 GLY 66 2HA GLY 66 -1.887 8.954 -10.809 505 H ASP 67 H ASP 67 -2.779 6.543 -12.669 506 HA ASP 67 HA ASP 67 -5.584 7.225 -12.493 507 HB2 ASP 67 1HB ASP 67 -4.512 7.083 -14.689 508 HB3 ASP 67 2HB ASP 67 -4.109 5.393 -14.397 509 H ARG 68 H ARG 68 -3.525 4.448 -11.874 510 HA ARG 68 HA ARG 68 -5.812 2.757 -11.259 511 HB2 ARG 68 1HB ARG 68 -2.877 2.102 -10.974 512 HB3 ARG 68 2HB ARG 68 -4.222 0.970 -11.009 513 HG2 ARG 68 1HG ARG 68 -4.631 1.416 -13.318 514 HG3 ARG 68 2HG ARG 68 -3.468 2.743 -13.318 515 HD2 ARG 68 1HD ARG 68 -1.741 0.988 -12.630 516 HD3 ARG 68 2HD ARG 68 -2.948 -0.207 -13.103 517 HE ARG 68 HE ARG 68 -2.790 1.399 -15.272 518 HH11 ARG 68 1HH1 ARG 68 -0.414 -0.292 -13.370 519 HH12 ARG 68 2HH1 ARG 68 0.676 -0.520 -14.697 520 HH21 ARG 68 1HH2 ARG 68 -1.364 1.105 -17.027 521 HH22 ARG 68 2HH2 ARG 68 0.135 0.276 -16.777 522 H LEU 69 H LEU 69 -6.145 1.784 -9.216 523 HA LEU 69 HA LEU 69 -4.900 3.234 -6.973 524 HB2 LEU 69 1HB LEU 69 -7.721 2.200 -7.216 525 HB3 LEU 69 2HB LEU 69 -7.025 2.890 -5.751 526 HG LEU 69 HG LEU 69 -7.177 4.470 -8.300 527 HD11 LEU 69 1HD1 LEU 69 -9.435 3.582 -7.701 528 HD12 LEU 69 2HD1 LEU 69 -9.302 5.340 -7.666 529 HD13 LEU 69 3HD1 LEU 69 -9.293 4.425 -6.158 530 HD21 LEU 69 3HD2 LEU 69 -7.135 5.280 -5.394 531 HD22 LEU 69 1HD2 LEU 69 -7.088 6.358 -6.789 532 HD23 LEU 69 2HD2 LEU 69 -5.736 5.271 -6.469 533 H THR 70 H THR 70 -4.483 0.522 -8.405 534 HA THR 70 HA THR 70 -4.243 -1.023 -5.920 535 HB THR 70 HB THR 70 -5.094 -3.011 -6.845 536 HG1 THR 70 1HG THR 70 -5.205 -3.397 -8.968 537 HG21 THR 70 3HG2 THR 70 -7.349 -2.498 -7.397 538 HG22 THR 70 1HG2 THR 70 -6.905 -0.917 -8.037 539 HG23 THR 70 2HG2 THR 70 -6.802 -1.228 -6.304 540 H HIS 71 H HIS 71 -2.650 -2.755 -6.040 541 HA HIS 71 HA HIS 71 -0.756 -2.620 -8.250 542 HB2 HIS 71 1HB HIS 71 0.136 -0.936 -6.783 543 HB3 HIS 71 2HB HIS 71 -0.030 -1.993 -5.384 544 HD1 HIS 71 1HD HIS 71 2.077 -1.492 -8.459 545 HD2 HIS 71 2HD HIS 71 2.060 -3.761 -4.978 546 HE1 HIS 71 1HE HIS 71 4.343 -2.577 -8.352 547 HE2 HIS 71 2HE HIS 71 4.279 -4.012 -6.283 548 H GLN 72 H GLN 72 -0.081 -4.594 -8.771 549 HA GLN 72 HA GLN 72 -0.580 -6.777 -6.882 550 HB2 GLN 72 1HB GLN 72 -1.589 -6.947 -9.128 551 HB3 GLN 72 2HB GLN 72 0.017 -6.884 -9.844 552 HG2 GLN 72 1HG GLN 72 0.520 -8.954 -8.421 553 HG3 GLN 72 2HG GLN 72 -1.228 -9.067 -8.218 554 HE21 GLN 72 1HE2 GLN 72 0.418 -10.993 -9.479 555 HE22 GLN 72 2HE2 GLN 72 -0.066 -11.099 -11.134 556 H ILE 73 H ILE 73 1.027 -7.847 -5.924 557 HA ILE 73 HA ILE 73 3.776 -7.279 -6.807 558 HB ILE 73 HB ILE 73 2.847 -8.242 -4.099 559 HG12 ILE 73 1HG1 ILE 73 3.962 -5.521 -4.758 560 HG13 ILE 73 2HG1 ILE 73 2.235 -5.853 -4.822 561 HG21 ILE 73 1HG2 ILE 73 5.306 -7.266 -3.680 562 HG22 ILE 73 2HG2 ILE 73 4.992 -8.956 -4.073 563 HG23 ILE 73 3HG2 ILE 73 5.497 -7.835 -5.338 564 HD11 ILE 73 3HD1 ILE 73 3.459 -4.899 -2.659 565 HD12 ILE 73 1HD1 ILE 73 2.033 -5.934 -2.577 566 HD13 ILE 73 2HD1 ILE 73 3.639 -6.625 -2.344 567 H MET 74 H MET 74 5.276 -8.946 -7.002 568 HA MET 74 HA MET 74 4.235 -11.686 -6.816 569 HB2 MET 74 1HB MET 74 5.832 -10.603 -9.143 570 HB3 MET 74 2HB MET 74 5.282 -12.262 -8.950 571 HG2 MET 74 1HG MET 74 2.922 -11.195 -8.833 572 HG3 MET 74 2HG MET 74 3.707 -9.811 -9.589 573 HE1 MET 74 3HE MET 74 3.836 -9.567 -12.132 574 HE2 MET 74 1HE MET 74 2.811 -10.662 -13.061 575 HE3 MET 74 2HE MET 74 2.172 -9.864 -11.625 576 H ASP 75 H ASP 75 5.886 -13.329 -6.649 577 HA ASP 75 HA ASP 75 7.862 -14.213 -5.926 578 HB2 ASP 75 1HB ASP 75 9.195 -11.530 -6.127 579 HB3 ASP 75 2HB ASP 75 9.886 -13.131 -6.371 580 H LEU 76 H LEU 76 6.106 -13.684 -4.024 581 HA LEU 76 HA LEU 76 7.546 -12.233 -1.911 582 HB2 LEU 76 1HB LEU 76 4.655 -12.925 -2.307 583 HB3 LEU 76 2HB LEU 76 5.280 -12.475 -0.721 584 HG LEU 76 HG LEU 76 5.303 -10.747 -3.196 585 HD11 LEU 76 1HD1 LEU 76 3.780 -9.351 -1.685 586 HD12 LEU 76 2HD1 LEU 76 3.573 -10.830 -0.748 587 HD13 LEU 76 3HD1 LEU 76 3.094 -10.787 -2.445 588 HD21 LEU 76 3HD2 LEU 76 6.289 -10.253 -0.392 589 HD22 LEU 76 1HD2 LEU 76 6.027 -8.981 -1.585 590 HD23 LEU 76 2HD2 LEU 76 7.232 -10.234 -1.883 591 H ASN 77 H ASN 77 7.650 -13.165 0.212 592 HA ASN 77 HA ASN 77 8.333 -15.929 0.168 593 HB2 ASN 77 1HB ASN 77 8.240 -13.800 2.276 594 HB3 ASN 77 2HB ASN 77 8.434 -15.484 2.753 595 HD21 ASN 77 1HD2 ASN 77 10.422 -14.010 3.485 596 HD22 ASN 77 2HD2 ASN 77 11.805 -14.183 2.463 597 H LEU 78 H LEU 78 7.450 -17.534 1.702 598 HA LEU 78 HA LEU 78 4.521 -17.329 1.802 599 HB2 LEU 78 1HB LEU 78 6.371 -19.702 1.747 600 HB3 LEU 78 2HB LEU 78 4.643 -19.834 2.069 601 HG LEU 78 HG LEU 78 5.277 -20.392 -0.262 602 HD11 LEU 78 1HD1 LEU 78 3.418 -18.124 0.338 603 HD12 LEU 78 2HD1 LEU 78 3.042 -19.806 -0.033 604 HD13 LEU 78 3HD1 LEU 78 3.612 -18.729 -1.307 605 HD21 LEU 78 3HD2 LEU 78 7.106 -18.637 -0.341 606 HD22 LEU 78 1HD2 LEU 78 5.824 -17.458 -0.619 607 HD23 LEU 78 2HD2 LEU 78 6.080 -18.769 -1.771 608 H ASP 79 H ASP 79 3.384 -17.980 3.661 609 HA ASP 79 HA ASP 79 2.993 -17.834 5.910 610 HB2 ASP 79 1HB ASP 79 4.128 -19.525 7.233 611 HB3 ASP 79 2HB ASP 79 3.754 -20.179 5.641 612 H THR 80 H THR 80 4.337 -15.612 5.090 613 HA THR 80 HA THR 80 5.996 -15.026 7.438 614 HB THR 80 HB THR 80 6.712 -14.230 4.609 615 HG1 THR 80 1HG THR 80 7.589 -16.177 4.778 616 HG21 THR 80 3HG2 THR 80 8.813 -13.390 5.807 617 HG22 THR 80 1HG2 THR 80 7.855 -13.469 7.285 618 HG23 THR 80 2HG2 THR 80 7.352 -12.416 5.962 619 H MET 81 H MET 81 5.822 -12.946 8.234 620 HA MET 81 HA MET 81 3.440 -11.526 7.499 621 HB2 MET 81 1HB MET 81 4.618 -11.814 9.844 622 HB3 MET 81 2HB MET 81 5.480 -10.365 9.347 623 HG2 MET 81 1HG MET 81 3.743 -9.405 10.436 624 HG3 MET 81 2HG MET 81 3.041 -9.515 8.824 625 HE1 MET 81 3HE MET 81 0.243 -10.019 9.173 626 HE2 MET 81 1HE MET 81 1.350 -10.830 8.064 627 HE3 MET 81 2HE MET 81 0.197 -11.775 9.005 628 H TYR 82 H TYR 82 3.235 -9.755 6.264 629 HA TYR 82 HA TYR 82 5.677 -8.343 5.428 630 HB2 TYR 82 1HB TYR 82 3.593 -9.632 3.740 631 HB3 TYR 82 2HB TYR 82 4.236 -8.087 3.191 632 HD1 TYR 82 1HD TYR 82 6.915 -7.961 3.328 633 HD2 TYR 82 2HD TYR 82 4.635 -11.535 2.969 634 HE1 TYR 82 1HE TYR 82 8.873 -9.108 2.380 635 HE2 TYR 82 2HE TYR 82 6.587 -12.692 2.021 636 HH TYR 82 HH TYR 82 8.837 -11.693 0.661 637 H TYR 83 H TYR 83 5.551 -6.283 5.987 638 HA TYR 83 HA TYR 83 3.029 -5.073 6.679 639 HB2 TYR 83 1HB TYR 83 5.756 -3.775 6.546 640 HB3 TYR 83 2HB TYR 83 4.339 -3.177 7.402 641 HD1 TYR 83 1HD TYR 83 3.437 -5.778 8.632 642 HD2 TYR 83 2HD TYR 83 7.288 -3.997 8.322 643 HE1 TYR 83 1HE TYR 83 4.149 -6.982 10.655 644 HE2 TYR 83 2HE TYR 83 8.012 -5.197 10.343 645 HH TYR 83 HH TYR 83 5.815 -7.404 12.056 646 H PHE 84 H PHE 84 1.989 -3.405 5.642 647 HA PHE 84 HA PHE 84 2.965 -2.758 2.938 648 HB2 PHE 84 1HB PHE 84 0.144 -3.202 3.916 649 HB3 PHE 84 2HB PHE 84 0.512 -2.440 2.372 650 HD1 PHE 84 1HD PHE 84 1.527 -3.725 0.562 651 HD2 PHE 84 2HD PHE 84 0.425 -5.555 4.243 652 HE1 PHE 84 1HE PHE 84 1.689 -5.941 -0.495 653 HE2 PHE 84 2HE PHE 84 0.587 -7.774 3.193 654 HZ PHE 84 HZ PHE 84 1.220 -7.969 0.821 655 H ARG 85 H ARG 85 3.032 -0.655 2.337 656 HA ARG 85 HA ARG 85 1.638 1.379 3.852 657 HB2 ARG 85 1HB ARG 85 4.588 0.955 4.036 658 HB3 ARG 85 2HB ARG 85 3.979 2.605 4.018 659 HG2 ARG 85 1HG ARG 85 2.506 2.002 5.939 660 HG3 ARG 85 2HG ARG 85 3.330 0.443 6.006 661 HD2 ARG 85 1HD ARG 85 5.282 1.353 6.779 662 HD3 ARG 85 2HD ARG 85 4.989 2.909 6.003 663 HE ARG 85 HE ARG 85 3.076 2.816 7.902 664 HH11 ARG 85 1HH1 ARG 85 6.519 2.310 7.976 665 HH12 ARG 85 2HH1 ARG 85 6.698 2.871 9.605 666 HH21 ARG 85 1HH2 ARG 85 3.298 3.558 10.048 667 HH22 ARG 85 2HH2 ARG 85 4.865 3.580 10.783 668 H ILE 86 H ILE 86 0.780 2.602 2.318 669 HA ILE 86 HA ILE 86 2.409 3.227 -0.059 670 HB ILE 86 HB ILE 86 0.492 1.771 -0.603 671 HG12 ILE 86 1HG1 ILE 86 0.070 4.567 -1.668 672 HG13 ILE 86 2HG1 ILE 86 1.386 3.519 -2.185 673 HG21 ILE 86 1HG2 ILE 86 -1.450 2.055 0.430 674 HG22 ILE 86 2HG2 ILE 86 -0.879 3.561 1.148 675 HG23 ILE 86 3HG2 ILE 86 -1.662 3.578 -0.432 676 HD11 ILE 86 3HD1 ILE 86 -0.009 2.860 -3.783 677 HD12 ILE 86 1HD1 ILE 86 -0.809 1.923 -2.521 678 HD13 ILE 86 2HD1 ILE 86 -1.417 3.522 -2.952 679 H GLN 87 H GLN 87 1.775 5.287 -1.139 680 HA GLN 87 HA GLN 87 0.583 7.272 0.637 681 HB2 GLN 87 1HB GLN 87 2.445 8.814 0.402 682 HB3 GLN 87 2HB GLN 87 3.000 7.310 1.125 683 HG2 GLN 87 1HG GLN 87 3.759 6.607 -1.159 684 HG3 GLN 87 2HG GLN 87 3.401 8.246 -1.702 685 HE21 GLN 87 1HE2 GLN 87 4.213 9.338 0.927 686 HE22 GLN 87 2HE2 GLN 87 5.940 9.323 0.911 687 H ALA 88 H ALA 88 0.665 9.508 -0.602 688 HA ALA 88 HA ALA 88 -0.128 8.974 -3.392 689 HB1 ALA 88 3HB ALA 88 -1.762 10.790 -3.176 690 HB2 ALA 88 1HB ALA 88 -2.067 9.491 -2.022 691 HB3 ALA 88 2HB ALA 88 -1.308 10.990 -1.484 692 H ARG 89 H ARG 89 0.663 10.280 -4.966 693 HA ARG 89 HA ARG 89 2.219 12.638 -4.168 694 HB2 ARG 89 1HB ARG 89 3.958 11.105 -4.465 695 HB3 ARG 89 2HB ARG 89 3.147 10.297 -5.799 696 HG2 ARG 89 1HG ARG 89 3.522 12.325 -7.182 697 HG3 ARG 89 2HG ARG 89 4.461 13.003 -5.851 698 HD2 ARG 89 1HD ARG 89 6.131 11.366 -6.052 699 HD3 ARG 89 2HD ARG 89 5.106 10.321 -7.034 700 HE ARG 89 HE ARG 89 5.366 12.568 -8.536 701 HH11 ARG 89 1HH1 ARG 89 7.619 10.397 -7.009 702 HH12 ARG 89 2HH1 ARG 89 8.860 10.644 -8.192 703 HH21 ARG 89 1HH2 ARG 89 6.992 12.901 -10.101 704 HH22 ARG 89 2HH2 ARG 89 8.503 12.069 -9.950 705 H ASN 90 H ASN 90 1.727 14.382 -5.326 706 HA ASN 90 HA ASN 90 0.358 13.994 -7.907 707 HB2 ASN 90 1HB ASN 90 -0.693 16.244 -7.433 708 HB3 ASN 90 2HB ASN 90 -1.207 14.937 -6.369 709 HD21 ASN 90 1HD2 ASN 90 -1.830 16.395 -4.775 710 HD22 ASN 90 2HD2 ASN 90 -0.676 17.232 -3.799 711 H SER 91 H SER 91 0.546 15.971 -9.357 712 HA SER 91 HA SER 91 3.041 16.338 -10.307 713 HB2 SER 91 1HB SER 91 2.282 18.372 -11.391 714 HB3 SER 91 2HB SER 91 0.956 17.210 -11.364 715 HG SER 91 HG SER 91 1.263 19.605 -9.964 716 H LYS 92 H LYS 92 1.675 17.887 -7.502 717 HA LYS 92 HA LYS 92 3.698 19.885 -7.225 718 HB2 LYS 92 1HB LYS 92 1.973 18.806 -5.001 719 HB3 LYS 92 2HB LYS 92 2.685 20.408 -5.142 720 HG2 LYS 92 1HG LYS 92 0.749 19.530 -7.220 721 HG3 LYS 92 2HG LYS 92 0.139 19.993 -5.629 722 HD2 LYS 92 1HD LYS 92 1.470 22.126 -5.877 723 HD3 LYS 92 2HD LYS 92 1.738 21.664 -7.559 724 HE2 LYS 92 1HE LYS 92 -0.750 21.519 -7.819 725 HE3 LYS 92 2HE LYS 92 -0.898 22.207 -6.203 726 HZ1 LYS 92 3HZ LYS 92 -1.094 23.924 -7.863 727 HZ2 LYS 92 1HZ LYS 92 0.396 23.499 -8.543 728 HZ3 LYS 92 2HZ LYS 92 0.333 24.155 -6.985 729 H GLY 93 H GLY 93 2.984 17.056 -5.162 730 HA2 GLY 93 1HA GLY 93 5.714 16.199 -5.142 731 HA3 GLY 93 2HA GLY 93 5.288 17.047 -3.663 732 H VAL 94 H VAL 94 5.561 15.206 -2.387 733 HA VAL 94 HA VAL 94 3.407 13.218 -2.675 734 HB VAL 94 HB VAL 94 5.472 12.140 -3.346 735 HG11 VAL 94 1HG1 VAL 94 6.649 13.794 -1.431 736 HG12 VAL 94 2HG1 VAL 94 6.868 12.152 -0.826 737 HG13 VAL 94 3HG1 VAL 94 7.450 12.585 -2.434 738 HG21 VAL 94 3HG2 VAL 94 5.136 10.225 -2.161 739 HG22 VAL 94 1HG2 VAL 94 5.141 11.057 -0.606 740 HG23 VAL 94 2HG2 VAL 94 3.710 11.119 -1.634 741 H GLY 95 H GLY 95 2.361 12.616 -0.825 742 HA2 GLY 95 1HA GLY 95 2.894 14.265 1.525 743 HA3 GLY 95 2HA GLY 95 1.452 13.304 1.234 744 HA PRO 96 HA PRO 96 3.985 11.101 4.411 745 HB2 PRO 96 1HB PRO 96 1.870 10.488 5.999 746 HB3 PRO 96 2HB PRO 96 2.745 12.020 6.113 747 HG2 PRO 96 1HG PRO 96 0.159 11.413 4.732 748 HG3 PRO 96 2HG PRO 96 0.590 12.810 5.735 749 HD2 PRO 96 1HD PRO 96 0.576 12.908 3.029 750 HD3 PRO 96 2HD PRO 96 1.706 13.860 4.013 751 H LEU 97 H LEU 97 2.843 8.923 5.601 752 HA LEU 97 HA LEU 97 2.022 7.236 3.328 753 HB2 LEU 97 1HB LEU 97 3.793 6.485 5.649 754 HB3 LEU 97 2HB LEU 97 3.247 5.387 4.383 755 HG LEU 97 HG LEU 97 4.749 7.800 3.533 756 HD11 LEU 97 1HD1 LEU 97 5.952 6.932 5.548 757 HD12 LEU 97 2HD1 LEU 97 6.883 6.882 4.052 758 HD13 LEU 97 3HD1 LEU 97 6.160 5.405 4.690 759 HD21 LEU 97 3HD2 LEU 97 3.796 5.521 2.318 760 HD22 LEU 97 1HD2 LEU 97 5.513 5.176 2.533 761 HD23 LEU 97 2HD2 LEU 97 5.007 6.621 1.656 762 H SER 98 H SER 98 1.272 4.974 4.390 763 HA SER 98 HA SER 98 -0.858 5.716 6.280 764 HB2 SER 98 1HB SER 98 -1.499 4.843 3.990 765 HB3 SER 98 2HB SER 98 -0.809 3.293 4.473 766 HG SER 98 HG SER 98 -2.987 4.663 5.665 767 H ASP 99 H ASP 99 -1.642 3.724 7.580 768 HA ASP 99 HA ASP 99 0.509 2.913 9.250 769 HB2 ASP 99 1HB ASP 99 -2.362 1.959 9.165 770 HB3 ASP 99 2HB ASP 99 -1.215 1.607 10.455 771 HA PRO 100 HA PRO 100 1.814 -0.780 7.246 772 HB2 PRO 100 1HB PRO 100 2.899 -2.067 9.376 773 HB3 PRO 100 2HB PRO 100 3.669 -0.679 8.598 774 HG2 PRO 100 1HG PRO 100 2.017 -0.777 11.093 775 HG3 PRO 100 2HG PRO 100 3.520 0.110 10.781 776 HD2 PRO 100 1HD PRO 100 1.087 1.296 10.704 777 HD3 PRO 100 2HD PRO 100 2.434 1.812 9.669 778 H ILE 101 H ILE 101 0.295 -2.169 6.567 779 HA ILE 101 HA ILE 101 -1.559 -3.391 8.432 780 HB ILE 101 HB ILE 101 -1.292 -3.741 5.444 781 HG12 ILE 101 1HG1 ILE 101 -3.109 -2.023 7.141 782 HG13 ILE 101 2HG1 ILE 101 -1.933 -1.480 5.949 783 HG21 ILE 101 1HG2 ILE 101 -3.072 -5.145 5.452 784 HG22 ILE 101 2HG2 ILE 101 -2.456 -5.516 7.061 785 HG23 ILE 101 3HG2 ILE 101 -3.801 -4.392 6.869 786 HD11 ILE 101 3HD1 ILE 101 -4.558 -2.849 5.480 787 HD12 ILE 101 1HD1 ILE 101 -4.035 -1.255 4.936 788 HD13 ILE 101 2HD1 ILE 101 -3.323 -2.706 4.229 789 H LEU 102 H LEU 102 -1.535 -5.459 9.125 790 HA LEU 102 HA LEU 102 0.819 -7.058 8.451 791 HB2 LEU 102 1HB LEU 102 -1.057 -6.920 10.746 792 HB3 LEU 102 2HB LEU 102 -0.310 -8.478 10.396 793 HG LEU 102 HG LEU 102 1.920 -7.214 10.501 794 HD11 LEU 102 1HD1 LEU 102 0.786 -4.966 10.430 795 HD12 LEU 102 2HD1 LEU 102 1.996 -5.174 11.696 796 HD13 LEU 102 3HD1 LEU 102 0.281 -5.260 12.094 797 HD21 LEU 102 3HD2 LEU 102 0.141 -8.077 12.691 798 HD22 LEU 102 1HD2 LEU 102 1.544 -7.117 13.159 799 HD23 LEU 102 2HD2 LEU 102 1.764 -8.619 12.262 800 H PHE 103 H PHE 103 0.600 -8.470 6.854 801 HA PHE 103 HA PHE 103 -1.781 -10.170 6.790 802 HB2 PHE 103 1HB PHE 103 -2.396 -8.605 5.141 803 HB3 PHE 103 2HB PHE 103 -0.754 -8.485 4.519 804 HD1 PHE 103 2HD PHE 103 0.193 -10.348 3.181 805 HD2 PHE 103 1HD PHE 103 -3.900 -10.243 4.345 806 HE1 PHE 103 2HE PHE 103 -0.336 -12.028 1.463 807 HE2 PHE 103 1HE PHE 103 -4.435 -11.923 2.629 808 HZ PHE 103 HZ PHE 103 -2.652 -12.817 1.184 809 H ARG 104 H ARG 104 -1.057 -12.177 6.980 810 HA ARG 104 HA ARG 104 1.630 -12.873 6.151 811 HB2 ARG 104 1HB ARG 104 0.305 -13.660 8.279 812 HB3 ARG 104 2HB ARG 104 -0.345 -14.871 7.181 813 HG2 ARG 104 1HG ARG 104 1.661 -15.945 6.952 814 HG3 ARG 104 2HG ARG 104 2.602 -14.492 7.295 815 HD2 ARG 104 1HD ARG 104 2.396 -14.731 9.571 816 HD3 ARG 104 2HD ARG 104 0.887 -15.634 9.445 817 HE ARG 104 HE ARG 104 2.719 -17.302 8.344 818 HH11 ARG 104 1HH1 ARG 104 2.517 -15.601 11.375 819 HH12 ARG 104 2HH1 ARG 104 3.412 -16.795 12.254 820 HH21 ARG 104 1HH2 ARG 104 3.899 -18.881 9.491 821 HH22 ARG 104 2HH2 ARG 104 4.199 -18.660 11.181 822 H THR 105 H THR 105 2.118 -13.649 4.216 823 HA THR 105 HA THR 105 0.252 -14.117 2.188 824 HB THR 105 HB THR 105 2.132 -15.180 0.943 825 HG1 THR 105 1HG THR 105 3.251 -15.109 3.508 826 HG21 THR 105 3HG2 THR 105 1.797 -12.713 1.015 827 HG22 THR 105 1HG2 THR 105 3.477 -13.187 0.768 828 HG23 THR 105 2HG2 THR 105 2.939 -12.636 2.355 829 H LEU 106 H LEU 106 -0.360 -16.060 1.120 830 HA LEU 106 HA LEU 106 -1.366 -18.066 2.707 831 HB2 LEU 106 1HB LEU 106 -0.773 -17.791 -0.178 832 HB3 LEU 106 2HB LEU 106 -1.058 -19.425 0.419 833 HG LEU 106 HG LEU 106 -2.975 -17.102 0.618 834 HD11 LEU 106 1HD1 LEU 106 -3.172 -17.706 -1.573 835 HD12 LEU 106 2HD1 LEU 106 -4.289 -18.858 -0.842 836 HD13 LEU 106 3HD1 LEU 106 -2.659 -19.368 -1.280 837 HD21 LEU 106 3HD2 LEU 106 -4.231 -19.579 1.094 838 HD22 LEU 106 1HD2 LEU 106 -3.995 -18.244 2.222 839 HD23 LEU 106 2HD2 LEU 106 -2.793 -19.530 2.114 840 H LYS 107 H LYS 107 -0.792 -20.423 2.639 841 HA LYS 107 HA LYS 107 2.127 -20.814 2.709 842 HB2 LYS 107 1HB LYS 107 0.140 -22.022 4.642 843 HB3 LYS 107 2HB LYS 107 1.887 -22.230 4.670 844 HG2 LYS 107 1HG LYS 107 1.562 -20.647 6.305 845 HG3 LYS 107 2HG LYS 107 1.934 -19.646 4.899 846 HD2 LYS 107 1HD LYS 107 -0.207 -18.866 4.717 847 HD3 LYS 107 2HD LYS 107 -0.914 -20.329 5.406 848 HE2 LYS 107 1HE LYS 107 0.758 -18.529 7.109 849 HE3 LYS 107 2HE LYS 107 -0.920 -18.108 6.771 850 HZ1 LYS 107 3HZ LYS 107 -0.378 -20.830 7.679 851 HZ2 LYS 107 1HZ LYS 107 -1.697 -19.821 8.008 852 HZ3 LYS 107 2HZ LYS 107 -0.233 -19.593 8.824 853 H VAL 108 H VAL 108 2.631 -22.162 1.117 854 HA VAL 108 HA VAL 108 0.721 -24.152 0.197 855 HB VAL 108 HB VAL 108 2.313 -24.596 -1.601 856 HG11 VAL 108 1HG1 VAL 108 2.484 -22.080 -2.392 857 HG12 VAL 108 2HG1 VAL 108 0.933 -22.916 -2.304 858 HG13 VAL 108 3HG1 VAL 108 1.422 -21.822 -1.009 859 HG21 VAL 108 3HG2 VAL 108 4.441 -24.391 -0.703 860 HG22 VAL 108 1HG2 VAL 108 4.308 -22.944 -1.704 861 HG23 VAL 108 2HG2 VAL 108 4.087 -22.832 0.042 862 H SER 109 H SER 109 0.951 -26.338 0.363 863 HA SER 109 HA SER 109 3.115 -27.280 2.123 864 HB2 SER 109 1HB SER 109 0.333 -28.384 1.679 865 HB3 SER 109 2HB SER 109 1.570 -29.182 2.650 866 HG SER 109 HG SER 109 -0.119 -27.347 3.441 867 H GLY 110 H GLY 110 4.604 -27.612 0.427 868 HA2 GLY 110 1HA GLY 110 5.578 -29.583 -0.628 869 HA3 GLY 110 2HA GLY 110 3.973 -29.974 -1.228 870 HA PRO 111 HA PRO 111 6.552 -27.413 -4.305 871 HB2 PRO 111 1HB PRO 111 7.201 -29.404 -6.032 872 HB3 PRO 111 2HB PRO 111 8.226 -28.945 -4.668 873 HG2 PRO 111 1HG PRO 111 6.281 -31.209 -4.899 874 HG3 PRO 111 2HG PRO 111 7.910 -31.200 -4.197 875 HD2 PRO 111 1HD PRO 111 5.669 -31.071 -2.681 876 HD3 PRO 111 2HD PRO 111 7.186 -30.275 -2.213 877 H SER 112 H SER 112 5.521 -26.525 -6.009 878 HA SER 112 HA SER 112 2.865 -27.237 -6.609 879 HB2 SER 112 1HB SER 112 2.959 -25.512 -8.311 880 HB3 SER 112 2HB SER 112 3.820 -24.948 -6.879 881 HG SER 112 HG SER 112 5.044 -26.121 -9.157 882 H SER 113 H SER 113 5.771 -28.588 -7.635 883 HA SER 113 HA SER 113 4.988 -29.366 -10.276 884 HB2 SER 113 1HB SER 113 7.368 -29.151 -9.533 885 HB3 SER 113 2HB SER 113 7.140 -30.582 -8.529 886 HG SER 113 HG SER 113 8.054 -30.957 -10.669 887 H GLY 114 H GLY 114 3.470 -30.814 -10.714 888 HA2 GLY 114 1HA GLY 114 3.486 -33.428 -9.607 889 HA3 GLY 114 2HA GLY 114 2.204 -32.470 -8.880 Start of MODEL 4 1 H1 GLY 1 H GLY 1 9.305 31.054 -5.086 2 HA2 GLY 1 1HA GLY 1 11.608 30.451 -5.328 3 HA3 GLY 1 2HA GLY 1 11.936 31.224 -3.784 4 H SER 2 H SER 2 11.614 30.097 -1.881 5 HA SER 2 HA SER 2 11.941 27.307 -1.994 6 HB2 SER 2 1HB SER 2 11.418 29.276 0.201 7 HB3 SER 2 2HB SER 2 11.295 27.551 0.548 8 HG SER 2 HG SER 2 13.542 29.000 -0.374 9 H SER 3 H SER 3 9.124 29.285 -1.110 10 HA SER 3 HA SER 3 7.424 27.017 -0.713 11 HB2 SER 3 1HB SER 3 6.907 29.983 -0.916 12 HB3 SER 3 2HB SER 3 5.602 28.813 -0.723 13 HG SER 3 HG SER 3 7.122 29.857 1.160 14 H GLY 4 H GLY 4 5.339 26.796 -1.949 15 HA2 GLY 4 1HA GLY 4 4.524 27.643 -4.305 16 HA3 GLY 4 2HA GLY 4 5.977 26.790 -4.805 17 H SER 5 H SER 5 5.713 24.752 -5.406 18 HA SER 5 HA SER 5 3.226 23.452 -5.327 19 HB2 SER 5 1HB SER 5 5.955 22.198 -5.713 20 HB3 SER 5 2HB SER 5 4.408 21.498 -6.189 21 HG SER 5 HG SER 5 5.545 22.563 -7.916 22 H SER 6 H SER 6 2.228 22.420 -3.739 23 HA SER 6 HA SER 6 3.849 21.264 -1.567 24 HB2 SER 6 1HB SER 6 1.370 22.956 -1.416 25 HB3 SER 6 2HB SER 6 1.742 21.805 -0.133 26 HG SER 6 HG SER 6 2.857 23.466 0.576 27 H GLY 7 H GLY 7 3.760 19.141 -2.085 28 HA2 GLY 7 1HA GLY 7 1.730 17.753 -3.338 29 HA3 GLY 7 2HA GLY 7 2.867 17.028 -2.211 30 HA PRO 8 HA PRO 8 -1.477 16.727 -0.512 31 HB2 PRO 8 1HB PRO 8 -1.437 14.037 -0.148 32 HB3 PRO 8 2HB PRO 8 -1.944 14.794 -1.663 33 HG2 PRO 8 1HG PRO 8 0.694 13.575 -0.946 34 HG3 PRO 8 2HG PRO 8 -0.238 13.423 -2.447 35 HD2 PRO 8 1HD PRO 8 1.878 15.096 -2.209 36 HD3 PRO 8 2HD PRO 8 0.487 15.458 -3.251 37 H THR 9 H THR 9 -1.977 16.575 1.644 38 HA THR 9 HA THR 9 0.280 16.023 3.451 39 HB THR 9 HB THR 9 -0.860 17.429 5.104 40 HG1 THR 9 1HG THR 9 -2.780 17.830 3.032 41 HG21 THR 9 3HG2 THR 9 -0.914 19.109 2.647 42 HG22 THR 9 1HG2 THR 9 0.599 18.316 3.080 43 HG23 THR 9 2HG2 THR 9 -0.171 19.426 4.215 44 H SER 10 H SER 10 -1.793 14.142 2.267 45 HA SER 10 HA SER 10 -2.352 12.747 4.754 46 HB2 SER 10 1HB SER 10 -4.354 14.199 4.304 47 HB3 SER 10 2HB SER 10 -4.594 13.309 2.801 48 HG SER 10 HG SER 10 -5.217 11.578 3.900 49 H ALA 11 H ALA 11 -2.507 10.536 4.520 50 HA ALA 11 HA ALA 11 -1.550 9.489 1.987 51 HB1 ALA 11 3HB ALA 11 -1.926 7.343 3.704 52 HB2 ALA 11 1HB ALA 11 -0.416 8.206 3.407 53 HB3 ALA 11 2HB ALA 11 -1.447 8.672 4.760 54 HA PRO 12 HA PRO 12 -5.261 7.682 0.497 55 HB2 PRO 12 1HB PRO 12 -4.531 5.162 -0.199 56 HB3 PRO 12 2HB PRO 12 -4.020 6.593 -1.101 57 HG2 PRO 12 1HG PRO 12 -2.521 5.013 0.952 58 HG3 PRO 12 2HG PRO 12 -1.946 5.675 -0.589 59 HD2 PRO 12 1HD PRO 12 -1.455 6.878 1.786 60 HD3 PRO 12 2HD PRO 12 -1.668 7.792 0.279 61 H LYS 13 H LYS 13 -6.836 5.878 0.744 62 HA LYS 13 HA LYS 13 -6.660 4.593 3.387 63 HB2 LYS 13 1HB LYS 13 -9.218 4.946 3.443 64 HB3 LYS 13 2HB LYS 13 -8.177 6.312 3.823 65 HG2 LYS 13 1HG LYS 13 -8.448 7.124 1.512 66 HG3 LYS 13 2HG LYS 13 -9.561 5.790 1.200 67 HD2 LYS 13 1HD LYS 13 -11.060 7.429 1.744 68 HD3 LYS 13 2HD LYS 13 -10.762 6.754 3.347 69 HE2 LYS 13 1HE LYS 13 -8.817 8.559 3.324 70 HE3 LYS 13 2HE LYS 13 -9.898 9.344 2.175 71 HZ1 LYS 13 3HZ LYS 13 -10.730 8.442 4.877 72 HZ2 LYS 13 1HZ LYS 13 -11.629 9.378 3.792 73 HZ3 LYS 13 2HZ LYS 13 -10.243 10.022 4.517 74 H ASP 14 H ASP 14 -8.830 3.069 3.454 75 HA ASP 14 HA ASP 14 -9.592 1.023 2.802 76 HB2 ASP 14 1HB ASP 14 -10.662 2.674 1.127 77 HB3 ASP 14 2HB ASP 14 -9.500 2.032 -0.030 78 H LEU 15 H LEU 15 -6.781 1.229 3.042 79 HA LEU 15 HA LEU 15 -5.553 -0.086 0.796 80 HB2 LEU 15 1HB LEU 15 -4.230 1.427 2.106 81 HB3 LEU 15 2HB LEU 15 -4.578 0.525 3.580 82 HG LEU 15 HG LEU 15 -3.269 -1.370 2.696 83 HD11 LEU 15 1HD1 LEU 15 -3.627 -0.200 0.253 84 HD12 LEU 15 2HD1 LEU 15 -2.468 -1.479 0.613 85 HD13 LEU 15 3HD1 LEU 15 -1.951 0.207 0.622 86 HD21 LEU 15 3HD2 LEU 15 -2.350 1.020 3.760 87 HD22 LEU 15 1HD2 LEU 15 -1.258 0.691 2.414 88 HD23 LEU 15 2HD2 LEU 15 -1.473 -0.509 3.688 89 H THR 16 H THR 16 -6.248 -2.105 0.401 90 HA THR 16 HA THR 16 -6.139 -4.035 2.628 91 HB THR 16 HB THR 16 -8.011 -4.166 0.256 92 HG1 THR 16 1HG THR 16 -9.321 -3.987 2.546 93 HG21 THR 16 3HG2 THR 16 -7.393 -6.365 1.103 94 HG22 THR 16 1HG2 THR 16 -9.067 -5.998 1.518 95 HG23 THR 16 2HG2 THR 16 -7.804 -5.867 2.743 96 H VAL 17 H VAL 17 -5.520 -6.199 2.071 97 HA VAL 17 HA VAL 17 -4.180 -6.497 -0.525 98 HB VAL 17 HB VAL 17 -2.920 -7.161 2.141 99 HG11 VAL 17 1HG1 VAL 17 -2.080 -7.733 -0.686 100 HG12 VAL 17 2HG1 VAL 17 -0.924 -7.682 0.646 101 HG13 VAL 17 3HG1 VAL 17 -2.240 -8.857 0.663 102 HG21 VAL 17 3HG2 VAL 17 -1.982 -5.204 0.051 103 HG22 VAL 17 1HG2 VAL 17 -2.938 -4.747 1.461 104 HG23 VAL 17 2HG2 VAL 17 -1.333 -5.445 1.673 105 H ILE 18 H ILE 18 -4.685 -8.352 -1.485 106 HA ILE 18 HA ILE 18 -5.487 -10.641 0.178 107 HB ILE 18 HB ILE 18 -7.206 -11.217 -1.528 108 HG12 ILE 18 1HG1 ILE 18 -7.005 -8.375 -2.487 109 HG13 ILE 18 2HG1 ILE 18 -6.074 -9.654 -3.259 110 HG21 ILE 18 1HG2 ILE 18 -8.882 -9.784 -0.648 111 HG22 ILE 18 2HG2 ILE 18 -7.683 -10.008 0.624 112 HG23 ILE 18 3HG2 ILE 18 -7.709 -8.512 -0.310 113 HD11 ILE 18 3HD1 ILE 18 -9.067 -9.480 -3.034 114 HD12 ILE 18 1HD1 ILE 18 -8.093 -9.287 -4.491 115 HD13 ILE 18 2HD1 ILE 18 -8.189 -10.859 -3.695 116 H THR 19 H THR 19 -4.903 -12.651 -0.574 117 HA THR 19 HA THR 19 -2.711 -12.728 -2.416 118 HB THR 19 HB THR 19 -2.709 -14.209 -0.485 119 HG1 THR 19 1HG THR 19 -3.054 -15.929 -2.700 120 HG21 THR 19 3HG2 THR 19 -4.628 -16.156 -1.434 121 HG22 THR 19 1HG2 THR 19 -5.397 -14.605 -1.104 122 HG23 THR 19 2HG2 THR 19 -4.473 -15.417 0.159 123 H ARG 20 H ARG 20 -2.790 -13.022 -4.541 124 HA ARG 20 HA ARG 20 -5.162 -13.201 -5.998 125 HB2 ARG 20 1HB ARG 20 -2.799 -12.474 -6.752 126 HB3 ARG 20 2HB ARG 20 -2.531 -14.183 -7.070 127 HG2 ARG 20 1HG ARG 20 -4.192 -14.241 -8.735 128 HG3 ARG 20 2HG ARG 20 -4.850 -12.681 -8.240 129 HD2 ARG 20 1HD ARG 20 -2.990 -11.512 -9.103 130 HD3 ARG 20 2HD ARG 20 -2.045 -12.990 -9.272 131 HE ARG 20 HE ARG 20 -3.033 -13.340 -11.302 132 HH11 ARG 20 1HH1 ARG 20 -4.919 -11.026 -9.512 133 HH12 ARG 20 2HH1 ARG 20 -5.971 -10.661 -10.839 134 HH21 ARG 20 1HH2 ARG 20 -4.412 -12.869 -13.057 135 HH22 ARG 20 2HH2 ARG 20 -5.683 -11.711 -12.855 136 H GLU 21 H GLU 21 -6.356 -14.849 -6.789 137 HA GLU 21 HA GLU 21 -6.070 -17.430 -5.633 138 HB2 GLU 21 1HB GLU 21 -8.088 -17.979 -6.688 139 HB3 GLU 21 2HB GLU 21 -8.225 -16.253 -6.382 140 HG2 GLU 21 1HG GLU 21 -7.526 -15.828 -8.716 141 HG3 GLU 21 2HG GLU 21 -7.534 -17.568 -8.998 142 H GLY 22 H GLY 22 -5.079 -15.995 -8.646 143 HA2 GLY 22 1HA GLY 22 -4.602 -18.469 -10.014 144 HA3 GLY 22 2HA GLY 22 -4.050 -16.877 -10.515 145 H LYS 23 H LYS 23 -2.727 -16.402 -7.914 146 HA LYS 23 HA LYS 23 -0.635 -18.420 -7.832 147 HB2 LYS 23 1HB LYS 23 0.031 -15.528 -8.404 148 HB3 LYS 23 2HB LYS 23 1.170 -16.858 -8.242 149 HG2 LYS 23 1HG LYS 23 0.386 -17.863 -10.265 150 HG3 LYS 23 2HG LYS 23 -0.934 -16.697 -10.387 151 HD2 LYS 23 1HD LYS 23 1.895 -15.735 -10.288 152 HD3 LYS 23 2HD LYS 23 1.237 -16.368 -11.799 153 HE2 LYS 23 1HE LYS 23 -0.268 -14.300 -10.247 154 HE3 LYS 23 2HE LYS 23 1.075 -13.824 -11.284 155 HZ1 LYS 23 3HZ LYS 23 -1.449 -15.154 -12.071 156 HZ2 LYS 23 1HZ LYS 23 -0.101 -15.101 -13.092 157 HZ3 LYS 23 2HZ LYS 23 -0.845 -13.665 -12.598 158 HA PRO 24 HA PRO 24 -1.040 -17.298 -3.560 159 HB2 PRO 24 1HB PRO 24 0.961 -18.879 -2.627 160 HB3 PRO 24 2HB PRO 24 -0.618 -19.511 -3.107 161 HG2 PRO 24 1HG PRO 24 1.952 -19.471 -4.642 162 HG3 PRO 24 2HG PRO 24 0.761 -20.776 -4.487 163 HD2 PRO 24 1HD PRO 24 0.883 -19.166 -6.660 164 HD3 PRO 24 2HD PRO 24 -0.642 -19.854 -6.066 165 H ARG 25 H ARG 25 2.026 -17.204 -5.299 166 HA ARG 25 HA ARG 25 3.332 -15.588 -3.305 167 HB2 ARG 25 1HB ARG 25 4.140 -16.293 -6.132 168 HB3 ARG 25 2HB ARG 25 5.160 -15.448 -4.975 169 HG2 ARG 25 1HG ARG 25 5.222 -17.372 -3.540 170 HG3 ARG 25 2HG ARG 25 4.055 -18.216 -4.560 171 HD2 ARG 25 1HD ARG 25 6.010 -19.130 -5.326 172 HD3 ARG 25 2HD ARG 25 5.846 -17.761 -6.426 173 HE ARG 25 HE ARG 25 7.320 -16.704 -4.462 174 HH11 ARG 25 1HH1 ARG 25 7.611 -19.702 -6.207 175 HH12 ARG 25 2HH1 ARG 25 9.337 -19.769 -6.064 176 HH21 ARG 25 1HH2 ARG 25 9.592 -16.781 -4.267 177 HH22 ARG 25 2HH2 ARG 25 10.462 -18.107 -4.959 178 H ALA 26 H ALA 26 0.838 -14.790 -5.031 179 HA ALA 26 HA ALA 26 1.840 -12.093 -5.675 180 HB1 ALA 26 3HB ALA 26 0.087 -13.913 -7.232 181 HB2 ALA 26 1HB ALA 26 -0.263 -12.185 -7.285 182 HB3 ALA 26 2HB ALA 26 1.321 -12.781 -7.783 183 H VAL 27 H VAL 27 0.456 -10.344 -5.233 184 HA VAL 27 HA VAL 27 -2.011 -10.897 -3.767 185 HB VAL 27 HB VAL 27 -1.376 -9.297 -1.972 186 HG11 VAL 27 1HG1 VAL 27 -0.891 -11.953 -2.125 187 HG12 VAL 27 2HG1 VAL 27 0.724 -11.346 -1.753 188 HG13 VAL 27 3HG1 VAL 27 -0.627 -10.981 -0.678 189 HG21 VAL 27 3HG2 VAL 27 0.367 -8.066 -3.101 190 HG22 VAL 27 1HG2 VAL 27 1.029 -8.815 -1.647 191 HG23 VAL 27 2HG2 VAL 27 1.357 -9.520 -3.230 192 H ILE 28 H ILE 28 -3.507 -9.225 -3.808 193 HA ILE 28 HA ILE 28 -2.879 -7.067 -5.703 194 HB ILE 28 HB ILE 28 -5.648 -7.896 -4.866 195 HG12 ILE 28 1HG1 ILE 28 -4.353 -9.833 -5.818 196 HG13 ILE 28 2HG1 ILE 28 -5.778 -9.378 -6.746 197 HG21 ILE 28 1HG2 ILE 28 -4.691 -5.767 -6.354 198 HG22 ILE 28 2HG2 ILE 28 -5.251 -6.920 -7.565 199 HG23 ILE 28 3HG2 ILE 28 -6.354 -6.354 -6.310 200 HD11 ILE 28 3HD1 ILE 28 -4.574 -8.782 -8.541 201 HD12 ILE 28 1HD1 ILE 28 -3.270 -8.093 -7.574 202 HD13 ILE 28 2HD1 ILE 28 -3.359 -9.837 -7.820 203 H VAL 29 H VAL 29 -2.106 -5.432 -4.458 204 HA VAL 29 HA VAL 29 -3.453 -4.693 -1.992 205 HB VAL 29 HB VAL 29 -1.115 -3.344 -3.348 206 HG11 VAL 29 1HG1 VAL 29 -1.716 -1.748 -1.863 207 HG12 VAL 29 2HG1 VAL 29 -2.603 -2.879 -0.840 208 HG13 VAL 29 3HG1 VAL 29 -0.844 -2.787 -0.736 209 HG21 VAL 29 3HG2 VAL 29 0.064 -5.140 -2.755 210 HG22 VAL 29 1HG2 VAL 29 -0.211 -4.665 -1.079 211 HG23 VAL 29 2HG2 VAL 29 -1.293 -5.820 -1.857 212 H SER 30 H SER 30 -5.267 -3.549 -2.154 213 HA SER 30 HA SER 30 -5.514 -1.557 -4.296 214 HB2 SER 30 1HB SER 30 -7.878 -1.705 -4.040 215 HB3 SER 30 2HB SER 30 -7.280 -3.364 -3.985 216 HG SER 30 HG SER 30 -7.298 -3.061 -1.622 217 H TRP 31 H TRP 31 -6.815 0.428 -3.668 218 HA TRP 31 HA TRP 31 -6.830 1.319 -0.978 219 HB2 TRP 31 1HB TRP 31 -5.075 3.024 -1.113 220 HB3 TRP 31 2HB TRP 31 -4.400 1.411 -1.328 221 HD1 TRP 31 HD TRP 31 -5.112 4.640 -3.264 222 HE1 TRP 31 1HE TRP 31 -3.734 4.612 -5.438 223 HE3 TRP 31 3HE TRP 31 -3.300 -0.134 -3.015 224 HZ2 TRP 31 2HZ TRP 31 -2.096 2.805 -6.859 225 HZ3 TRP 31 3HZ TRP 31 -1.835 -0.935 -4.822 226 HH2 TRP 31 HH TRP 31 -1.247 0.505 -6.704 227 H GLN 32 H GLN 32 -7.078 3.853 -0.975 228 HA GLN 32 HA GLN 32 -8.633 4.653 -3.340 229 HB2 GLN 32 1HB GLN 32 -9.461 4.563 -0.486 230 HB3 GLN 32 2HB GLN 32 -10.005 5.938 -1.438 231 HG2 GLN 32 1HG GLN 32 -11.429 3.737 -1.249 232 HG3 GLN 32 2HG GLN 32 -11.377 4.681 -2.737 233 HE21 GLN 32 1HE2 GLN 32 -10.874 3.651 -4.538 234 HE22 GLN 32 2HE2 GLN 32 -10.133 2.094 -4.641 235 HA PRO 33 HA PRO 33 -6.469 8.467 -3.251 236 HB2 PRO 33 1HB PRO 33 -8.387 10.230 -4.014 237 HB3 PRO 33 2HB PRO 33 -7.654 9.067 -5.125 238 HG2 PRO 33 1HG PRO 33 -10.272 8.915 -3.680 239 HG3 PRO 33 2HG PRO 33 -9.896 8.496 -5.362 240 HD2 PRO 33 1HD PRO 33 -10.130 6.631 -3.413 241 HD3 PRO 33 2HD PRO 33 -9.022 6.442 -4.786 242 HA PRO 34 HA PRO 34 -7.178 10.194 0.774 243 HB2 PRO 34 1HB PRO 34 -5.324 12.172 0.626 244 HB3 PRO 34 2HB PRO 34 -4.900 10.474 0.877 245 HG2 PRO 34 1HG PRO 34 -4.852 12.086 -1.645 246 HG3 PRO 34 2HG PRO 34 -3.659 10.924 -1.038 247 HD2 PRO 34 1HD PRO 34 -5.468 10.289 -2.950 248 HD3 PRO 34 2HD PRO 34 -4.871 9.105 -1.769 249 H LEU 35 H LEU 35 -7.999 12.106 1.745 250 HA LEU 35 HA LEU 35 -9.717 13.627 0.018 251 HB2 LEU 35 1HB LEU 35 -9.289 13.364 2.940 252 HB3 LEU 35 2HB LEU 35 -10.030 14.855 2.362 253 HG LEU 35 HG LEU 35 -11.794 13.410 2.996 254 HD11 LEU 35 1HD1 LEU 35 -11.557 14.412 0.448 255 HD12 LEU 35 2HD1 LEU 35 -13.034 13.793 1.185 256 HD13 LEU 35 3HD1 LEU 35 -12.044 12.738 0.177 257 HD21 LEU 35 3HD2 LEU 35 -11.901 11.142 1.642 258 HD22 LEU 35 1HD2 LEU 35 -11.032 11.267 3.172 259 HD23 LEU 35 2HD2 LEU 35 -10.148 11.336 1.647 260 H GLU 36 H GLU 36 -6.901 14.342 2.055 261 HA GLU 36 HA GLU 36 -6.843 17.100 1.174 262 HB2 GLU 36 1HB GLU 36 -4.880 15.556 2.878 263 HB3 GLU 36 2HB GLU 36 -4.869 17.295 2.620 264 HG2 GLU 36 1HG GLU 36 -7.147 17.375 3.647 265 HG3 GLU 36 2HG GLU 36 -6.947 15.675 4.065 266 H ALA 37 H ALA 37 -6.632 15.287 -0.950 267 HA ALA 37 HA ALA 37 -3.962 14.785 -1.735 268 HB1 ALA 37 3HB ALA 37 -6.386 14.013 -2.665 269 HB2 ALA 37 1HB ALA 37 -5.916 15.192 -3.890 270 HB3 ALA 37 2HB ALA 37 -4.871 13.812 -3.546 271 H ASN 38 H ASN 38 -5.562 17.674 -1.376 272 HA ASN 38 HA ASN 38 -5.380 19.764 -2.347 273 HB2 ASN 38 1HB ASN 38 -2.531 18.862 -1.894 274 HB3 ASN 38 2HB ASN 38 -2.965 20.521 -2.296 275 HD21 ASN 38 1HD2 ASN 38 -2.047 18.741 0.167 276 HD22 ASN 38 2HD2 ASN 38 -2.918 19.477 1.465 277 H GLY 39 H GLY 39 -6.003 18.103 -4.387 278 HA2 GLY 39 1HA GLY 39 -5.734 19.200 -6.703 279 HA3 GLY 39 2HA GLY 39 -4.063 18.685 -6.523 280 H LYS 40 H LYS 40 -4.332 17.443 -8.453 281 HA LYS 40 HA LYS 40 -5.951 15.009 -8.095 282 HB2 LYS 40 1HB LYS 40 -6.662 16.197 -10.047 283 HB3 LYS 40 2HB LYS 40 -5.005 16.417 -10.592 284 HG2 LYS 40 1HG LYS 40 -5.043 13.765 -10.555 285 HG3 LYS 40 2HG LYS 40 -6.771 14.047 -10.784 286 HD2 LYS 40 1HD LYS 40 -6.442 15.145 -12.819 287 HD3 LYS 40 2HD LYS 40 -4.734 15.444 -12.487 288 HE2 LYS 40 1HE LYS 40 -5.975 12.744 -13.005 289 HE3 LYS 40 2HE LYS 40 -5.060 13.690 -14.177 290 HZ1 LYS 40 3HZ LYS 40 -3.369 12.449 -13.405 291 HZ2 LYS 40 1HZ LYS 40 -4.120 12.118 -11.926 292 HZ3 LYS 40 2HZ LYS 40 -3.331 13.595 -12.161 293 H ILE 41 H ILE 41 -4.799 13.315 -7.465 294 HA ILE 41 HA ILE 41 -2.046 13.103 -7.387 295 HB ILE 41 HB ILE 41 -3.936 10.770 -7.701 296 HG12 ILE 41 1HG1 ILE 41 -4.790 12.137 -5.923 297 HG13 ILE 41 2HG1 ILE 41 -3.944 10.781 -5.186 298 HG21 ILE 41 1HG2 ILE 41 -1.735 10.391 -5.891 299 HG22 ILE 41 2HG2 ILE 41 -2.179 9.465 -7.324 300 HG23 ILE 41 3HG2 ILE 41 -1.149 10.887 -7.479 301 HD11 ILE 41 3HD1 ILE 41 -1.936 12.431 -5.118 302 HD12 ILE 41 1HD1 ILE 41 -3.190 13.660 -5.279 303 HD13 ILE 41 2HD1 ILE 41 -3.219 12.545 -3.913 304 H THR 42 H THR 42 -0.475 12.429 -8.747 305 HA THR 42 HA THR 42 -1.291 11.786 -11.503 306 HB THR 42 HB THR 42 0.712 12.757 -12.310 307 HG1 THR 42 1HG THR 42 1.599 13.111 -9.627 308 HG21 THR 42 3HG2 THR 42 0.693 15.048 -11.309 309 HG22 THR 42 1HG2 THR 42 -0.397 14.441 -10.064 310 HG23 THR 42 2HG2 THR 42 -0.903 14.445 -11.754 311 H ALA 43 H ALA 43 0.303 10.605 -8.722 312 HA ALA 43 HA ALA 43 0.775 8.065 -9.981 313 HB1 ALA 43 3HB ALA 43 3.121 7.930 -9.747 314 HB2 ALA 43 1HB ALA 43 2.801 9.461 -10.563 315 HB3 ALA 43 2HB ALA 43 3.194 9.443 -8.843 316 H TYR 44 H TYR 44 1.380 6.405 -8.453 317 HA TYR 44 HA TYR 44 0.980 7.173 -5.640 318 HB2 TYR 44 1HB TYR 44 -0.342 4.931 -7.164 319 HB3 TYR 44 2HB TYR 44 -0.261 4.956 -5.406 320 HD1 TYR 44 2HD TYR 44 -1.260 7.003 -4.214 321 HD2 TYR 44 1HD TYR 44 -2.063 6.046 -8.281 322 HE1 TYR 44 2HE TYR 44 -3.284 8.399 -4.136 323 HE2 TYR 44 1HE TYR 44 -4.089 7.440 -8.215 324 HH TYR 44 HH TYR 44 -5.544 8.440 -5.468 325 H ILE 45 H ILE 45 2.666 6.604 -4.454 326 HA ILE 45 HA ILE 45 4.397 4.426 -5.386 327 HB ILE 45 HB ILE 45 5.024 6.417 -3.212 328 HG12 ILE 45 1HG1 ILE 45 6.489 7.386 -5.168 329 HG13 ILE 45 2HG1 ILE 45 5.277 6.622 -6.190 330 HG21 ILE 45 1HG2 ILE 45 7.271 5.727 -3.460 331 HG22 ILE 45 2HG2 ILE 45 6.309 4.251 -3.392 332 HG23 ILE 45 3HG2 ILE 45 6.912 4.840 -4.941 333 HD11 ILE 45 3HD1 ILE 45 5.164 9.128 -4.913 334 HD12 ILE 45 1HD1 ILE 45 3.930 8.345 -5.899 335 HD13 ILE 45 2HD1 ILE 45 3.952 8.098 -4.153 336 H LEU 46 H LEU 46 4.193 2.510 -4.455 337 HA LEU 46 HA LEU 46 3.048 2.358 -1.753 338 HB2 LEU 46 1HB LEU 46 1.713 1.087 -3.172 339 HB3 LEU 46 2HB LEU 46 3.095 0.479 -4.081 340 HG LEU 46 HG LEU 46 3.665 -0.724 -1.822 341 HD11 LEU 46 1HD1 LEU 46 1.553 -1.432 -0.686 342 HD12 LEU 46 2HD1 LEU 46 0.719 -0.155 -1.569 343 HD13 LEU 46 3HD1 LEU 46 1.999 0.255 -0.428 344 HD21 LEU 46 3HD2 LEU 46 3.318 -2.272 -3.410 345 HD22 LEU 46 1HD2 LEU 46 1.926 -1.422 -4.080 346 HD23 LEU 46 2HD2 LEU 46 1.733 -2.443 -2.655 347 H PHE 47 H PHE 47 3.989 1.019 -0.178 348 HA PHE 47 HA PHE 47 6.703 0.054 -0.749 349 HB2 PHE 47 1HB PHE 47 5.970 1.581 1.755 350 HB3 PHE 47 2HB PHE 47 7.569 1.012 1.288 351 HD1 PHE 47 1HD PHE 47 4.834 3.114 -0.141 352 HD2 PHE 47 2HD PHE 47 9.013 2.582 0.464 353 HE1 PHE 47 1HE PHE 47 5.266 5.262 -1.261 354 HE2 PHE 47 2HE PHE 47 9.452 4.729 -0.654 355 HZ PHE 47 HZ PHE 47 7.577 6.073 -1.518 356 H TYR 48 H TYR 48 7.190 -1.879 0.127 357 HA TYR 48 HA TYR 48 5.544 -2.938 2.295 358 HB2 TYR 48 1HB TYR 48 5.104 -5.025 1.122 359 HB3 TYR 48 2HB TYR 48 4.458 -3.672 0.200 360 HD1 TYR 48 2HD TYR 48 5.476 -3.009 -1.916 361 HD2 TYR 48 1HD TYR 48 6.970 -6.325 0.292 362 HE1 TYR 48 2HE TYR 48 6.727 -3.757 -3.897 363 HE2 TYR 48 1HE TYR 48 8.226 -7.082 -1.683 364 HH TYR 48 HH TYR 48 9.113 -6.216 -3.743 365 H THR 49 H THR 49 6.567 -4.446 3.577 366 HA THR 49 HA THR 49 9.002 -5.731 2.865 367 HB THR 49 HB THR 49 9.809 -3.379 3.226 368 HG1 THR 49 1HG THR 49 11.041 -4.727 5.281 369 HG21 THR 49 3HG2 THR 49 8.722 -3.943 5.966 370 HG22 THR 49 1HG2 THR 49 8.503 -2.513 4.960 371 HG23 THR 49 2HG2 THR 49 10.059 -2.817 5.733 372 H LEU 50 H LEU 50 9.630 -7.276 4.370 373 HA LEU 50 HA LEU 50 7.605 -7.971 6.310 374 HB2 LEU 50 1HB LEU 50 9.005 -9.989 6.658 375 HB3 LEU 50 2HB LEU 50 8.494 -9.745 4.989 376 HG LEU 50 HG LEU 50 10.857 -8.635 4.747 377 HD11 LEU 50 1HD1 LEU 50 12.500 -9.903 6.180 378 HD12 LEU 50 2HD1 LEU 50 11.137 -10.336 7.212 379 HD13 LEU 50 3HD1 LEU 50 11.578 -8.642 6.998 380 HD21 LEU 50 3HD2 LEU 50 11.791 -10.960 4.308 381 HD22 LEU 50 1HD2 LEU 50 10.317 -10.518 3.448 382 HD23 LEU 50 2HD2 LEU 50 10.231 -11.573 4.859 383 H ASP 51 H ASP 51 10.494 -6.214 6.311 384 HA ASP 51 HA ASP 51 10.715 -6.485 9.239 385 HB2 ASP 51 1HB ASP 51 12.803 -6.187 7.117 386 HB3 ASP 51 2HB ASP 51 13.111 -5.520 8.718 387 H LYS 52 H LYS 52 9.900 -4.776 10.237 388 HA LYS 52 HA LYS 52 9.656 -2.229 8.884 389 HB2 LYS 52 1HB LYS 52 8.377 -1.530 10.815 390 HB3 LYS 52 2HB LYS 52 7.833 -3.123 10.305 391 HG2 LYS 52 1HG LYS 52 9.285 -4.102 12.085 392 HG3 LYS 52 2HG LYS 52 9.594 -2.460 12.652 393 HD2 LYS 52 1HD LYS 52 7.384 -2.147 13.323 394 HD3 LYS 52 2HD LYS 52 6.790 -3.463 12.307 395 HE2 LYS 52 1HE LYS 52 8.360 -4.904 13.864 396 HE3 LYS 52 2HE LYS 52 8.112 -3.557 14.974 397 HZ1 LYS 52 3HZ LYS 52 6.073 -4.265 15.430 398 HZ2 LYS 52 1HZ LYS 52 6.430 -5.687 14.585 399 HZ3 LYS 52 2HZ LYS 52 5.662 -4.405 13.794 400 H ASN 53 H ASN 53 11.657 -3.697 11.330 401 HA ASN 53 HA ASN 53 12.709 -1.650 12.748 402 HB2 ASN 53 1HB ASN 53 13.391 -4.170 12.626 403 HB3 ASN 53 2HB ASN 53 14.611 -3.601 11.491 404 HD21 ASN 53 1HD2 ASN 53 13.327 -3.035 14.733 405 HD22 ASN 53 2HD2 ASN 53 14.832 -2.564 15.439 406 H ILE 54 H ILE 54 13.323 -2.358 9.365 407 HA ILE 54 HA ILE 54 15.410 -0.411 9.083 408 HB ILE 54 HB ILE 54 14.991 -0.770 6.602 409 HG12 ILE 54 1HG1 ILE 54 13.279 -3.059 7.575 410 HG13 ILE 54 2HG1 ILE 54 12.604 -1.541 6.992 411 HG21 ILE 54 1HG2 ILE 54 16.144 -2.865 6.580 412 HG22 ILE 54 2HG2 ILE 54 16.709 -1.946 7.975 413 HG23 ILE 54 3HG2 ILE 54 15.556 -3.263 8.195 414 HD11 ILE 54 3HD1 ILE 54 14.156 -3.600 5.465 415 HD12 ILE 54 1HD1 ILE 54 12.519 -3.013 5.175 416 HD13 ILE 54 2HD1 ILE 54 13.901 -1.965 4.856 417 HA PRO 55 HA PRO 55 13.082 3.243 8.375 418 HB2 PRO 55 1HB PRO 55 14.618 4.502 6.524 419 HB3 PRO 55 2HB PRO 55 15.089 4.351 8.221 420 HG2 PRO 55 1HG PRO 55 15.956 2.724 5.862 421 HG3 PRO 55 2HG PRO 55 16.929 3.363 7.200 422 HD2 PRO 55 1HD PRO 55 16.104 0.786 7.100 423 HD3 PRO 55 2HD PRO 55 16.309 1.664 8.629 424 H ILE 56 H ILE 56 11.400 3.888 7.146 425 HA ILE 56 HA ILE 56 10.210 2.425 5.222 426 HB ILE 56 HB ILE 56 9.216 4.446 6.254 427 HG12 ILE 56 1HG1 ILE 56 8.021 5.228 4.179 428 HG13 ILE 56 2HG1 ILE 56 9.150 4.261 3.237 429 HG21 ILE 56 1HG2 ILE 56 11.311 5.836 5.756 430 HG22 ILE 56 2HG2 ILE 56 10.610 6.073 4.156 431 HG23 ILE 56 3HG2 ILE 56 9.741 6.623 5.589 432 HD11 ILE 56 3HD1 ILE 56 8.171 2.504 5.137 433 HD12 ILE 56 1HD1 ILE 56 6.771 3.462 4.658 434 HD13 ILE 56 2HD1 ILE 56 7.706 2.596 3.439 435 H ASP 57 H ASP 57 12.963 4.499 4.785 436 HA ASP 57 HA ASP 57 12.846 4.711 1.959 437 HB2 ASP 57 1HB ASP 57 14.999 5.118 4.010 438 HB3 ASP 57 2HB ASP 57 15.394 5.152 2.294 439 H ASP 58 H ASP 58 14.524 2.489 4.151 440 HA ASP 58 HA ASP 58 15.886 1.038 2.149 441 HB2 ASP 58 1HB ASP 58 15.240 0.614 5.024 442 HB3 ASP 58 2HB ASP 58 15.723 -0.795 4.084 443 H TRP 59 H TRP 59 12.630 0.940 3.317 444 HA TRP 59 HA TRP 59 11.849 -1.640 2.677 445 HB2 TRP 59 1HB TRP 59 10.277 0.933 2.437 446 HB3 TRP 59 2HB TRP 59 9.570 -0.679 2.363 447 HD1 TRP 59 HD TRP 59 12.322 -0.039 4.908 448 HE1 TRP 59 1HE TRP 59 11.303 -0.089 7.271 449 HE3 TRP 59 3HE TRP 59 7.368 -0.195 3.654 450 HZ2 TRP 59 2HZ TRP 59 8.740 -0.182 8.448 451 HZ3 TRP 59 3HZ TRP 59 5.696 -0.263 5.459 452 HH2 TRP 59 HH TRP 59 6.370 -0.257 7.805 453 H ILE 60 H ILE 60 10.150 -2.020 0.812 454 HA ILE 60 HA ILE 60 11.600 -1.490 -1.670 455 HB ILE 60 HB ILE 60 9.321 -3.399 -1.131 456 HG12 ILE 60 1HG1 ILE 60 12.190 -4.122 -1.692 457 HG13 ILE 60 2HG1 ILE 60 11.625 -3.817 -0.052 458 HG21 ILE 60 1HG2 ILE 60 10.904 -3.982 -3.459 459 HG22 ILE 60 2HG2 ILE 60 9.164 -3.741 -3.320 460 HG23 ILE 60 3HG2 ILE 60 10.229 -2.356 -3.561 461 HD11 ILE 60 3HD1 ILE 60 11.681 -6.214 -0.717 462 HD12 ILE 60 1HD1 ILE 60 10.108 -5.645 -0.159 463 HD13 ILE 60 2HD1 ILE 60 10.407 -5.864 -1.884 464 H MET 61 H MET 61 11.016 0.458 -2.465 465 HA MET 61 HA MET 61 8.287 1.380 -2.372 466 HB2 MET 61 1HB MET 61 10.163 2.954 -2.150 467 HB3 MET 61 2HB MET 61 10.700 2.544 -3.774 468 HG2 MET 61 1HG MET 61 8.133 3.267 -4.246 469 HG3 MET 61 2HG MET 61 8.540 4.313 -2.887 470 HE1 MET 61 3HE MET 61 9.402 3.266 -6.556 471 HE2 MET 61 1HE MET 61 10.836 4.237 -6.889 472 HE3 MET 61 2HE MET 61 10.915 2.923 -5.715 473 H GLU 62 H GLU 62 6.894 1.670 -4.111 474 HA GLU 62 HA GLU 62 7.697 0.544 -6.693 475 HB2 GLU 62 1HB GLU 62 5.562 -0.477 -4.889 476 HB3 GLU 62 2HB GLU 62 5.222 -0.450 -6.614 477 HG2 GLU 62 1HG GLU 62 7.339 -1.975 -5.146 478 HG3 GLU 62 2HG GLU 62 6.066 -2.584 -6.202 479 H THR 63 H THR 63 7.145 1.854 -8.297 480 HA THR 63 HA THR 63 5.412 4.113 -7.785 481 HB THR 63 HB THR 63 6.867 3.336 -10.321 482 HG1 THR 63 1HG THR 63 8.519 4.484 -9.554 483 HG21 THR 63 3HG2 THR 63 4.868 5.304 -9.825 484 HG22 THR 63 1HG2 THR 63 5.770 5.002 -11.309 485 HG23 THR 63 2HG2 THR 63 6.403 6.126 -10.106 486 H ILE 64 H ILE 64 3.395 4.441 -8.561 487 HA ILE 64 HA ILE 64 2.277 2.453 -10.415 488 HB ILE 64 HB ILE 64 0.730 3.507 -8.054 489 HG12 ILE 64 1HG1 ILE 64 1.712 0.690 -8.156 490 HG13 ILE 64 2HG1 ILE 64 2.837 1.945 -7.648 491 HG21 ILE 64 1HG2 ILE 64 0.231 1.512 -10.218 492 HG22 ILE 64 2HG2 ILE 64 -0.568 1.331 -8.658 493 HG23 ILE 64 3HG2 ILE 64 -0.816 2.795 -9.610 494 HD11 ILE 64 3HD1 ILE 64 0.176 1.922 -6.362 495 HD12 ILE 64 1HD1 ILE 64 1.293 0.622 -5.946 496 HD13 ILE 64 2HD1 ILE 64 1.762 2.304 -5.692 497 H SER 65 H SER 65 0.542 3.183 -11.705 498 HA SER 65 HA SER 65 0.741 5.859 -12.559 499 HB2 SER 65 1HB SER 65 -0.158 3.689 -13.771 500 HB3 SER 65 2HB SER 65 -1.712 4.254 -13.157 501 HG SER 65 HG SER 65 -1.663 5.441 -14.898 502 H GLY 66 H GLY 66 -0.360 7.667 -12.049 503 HA2 GLY 66 1HA GLY 66 -1.744 7.867 -9.621 504 HA3 GLY 66 2HA GLY 66 -1.733 9.089 -10.885 505 H ASP 67 H ASP 67 -2.833 6.573 -12.515 506 HA ASP 67 HA ASP 67 -5.605 7.378 -12.167 507 HB2 ASP 67 1HB ASP 67 -4.500 7.121 -14.432 508 HB3 ASP 67 2HB ASP 67 -4.508 5.382 -14.149 509 H ARG 68 H ARG 68 -3.661 4.414 -12.010 510 HA ARG 68 HA ARG 68 -5.876 2.795 -11.171 511 HB2 ARG 68 1HB ARG 68 -2.928 2.163 -10.982 512 HB3 ARG 68 2HB ARG 68 -4.260 1.016 -10.942 513 HG2 ARG 68 1HG ARG 68 -4.785 1.457 -13.241 514 HG3 ARG 68 2HG ARG 68 -3.594 2.758 -13.304 515 HD2 ARG 68 1HD ARG 68 -1.909 0.919 -12.611 516 HD3 ARG 68 2HD ARG 68 -3.159 -0.201 -13.151 517 HE ARG 68 HE ARG 68 -2.503 1.844 -15.068 518 HH11 ARG 68 1HH1 ARG 68 -1.731 -1.331 -13.867 519 HH12 ARG 68 2HH1 ARG 68 -0.993 -1.853 -15.345 520 HH21 ARG 68 1HH2 ARG 68 -1.534 1.169 -17.020 521 HH22 ARG 68 2HH2 ARG 68 -0.881 -0.430 -17.138 522 H LEU 69 H LEU 69 -6.152 1.812 -9.122 523 HA LEU 69 HA LEU 69 -4.854 3.257 -6.906 524 HB2 LEU 69 1HB LEU 69 -7.680 2.223 -7.066 525 HB3 LEU 69 2HB LEU 69 -6.943 2.938 -5.634 526 HG LEU 69 HG LEU 69 -7.160 4.484 -8.196 527 HD11 LEU 69 1HD1 LEU 69 -9.374 4.490 -8.058 528 HD12 LEU 69 2HD1 LEU 69 -9.220 5.318 -6.509 529 HD13 LEU 69 3HD1 LEU 69 -9.340 3.560 -6.560 530 HD21 LEU 69 3HD2 LEU 69 -5.852 5.720 -6.800 531 HD22 LEU 69 1HD2 LEU 69 -6.568 5.037 -5.340 532 HD23 LEU 69 2HD2 LEU 69 -7.437 6.269 -6.255 533 H THR 70 H THR 70 -4.421 0.572 -8.339 534 HA THR 70 HA THR 70 -4.190 -1.001 -5.870 535 HB THR 70 HB THR 70 -4.931 -3.016 -6.905 536 HG1 THR 70 1HG THR 70 -5.487 -1.676 -9.332 537 HG21 THR 70 3HG2 THR 70 -6.665 -1.287 -6.164 538 HG22 THR 70 1HG2 THR 70 -7.223 -2.584 -7.220 539 HG23 THR 70 2HG2 THR 70 -6.915 -0.978 -7.882 540 H HIS 71 H HIS 71 -2.600 -2.762 -6.037 541 HA HIS 71 HA HIS 71 -0.655 -2.521 -8.192 542 HB2 HIS 71 1HB HIS 71 0.205 -0.903 -6.639 543 HB3 HIS 71 2HB HIS 71 -0.002 -2.012 -5.286 544 HD1 HIS 71 1HD HIS 71 2.176 -1.434 -8.304 545 HD2 HIS 71 2HD HIS 71 2.089 -3.764 -4.865 546 HE1 HIS 71 1HE HIS 71 4.440 -2.519 -8.169 547 HE2 HIS 71 2HE HIS 71 4.335 -3.990 -6.127 548 H GLN 72 H GLN 72 0.016 -4.473 -8.791 549 HA GLN 72 HA GLN 72 -0.492 -6.732 -6.995 550 HB2 GLN 72 1HB GLN 72 -1.511 -6.841 -9.225 551 HB3 GLN 72 2HB GLN 72 0.078 -6.691 -9.963 552 HG2 GLN 72 1HG GLN 72 0.562 -8.823 -8.471 553 HG3 GLN 72 2HG GLN 72 -1.184 -9.011 -8.624 554 HE21 GLN 72 1HE2 GLN 72 -1.477 -10.572 -10.058 555 HE22 GLN 72 2HE2 GLN 72 -0.758 -10.647 -11.627 556 H ILE 73 H ILE 73 1.109 -7.897 -6.127 557 HA ILE 73 HA ILE 73 3.859 -7.305 -7.003 558 HB ILE 73 HB ILE 73 2.989 -8.300 -4.288 559 HG12 ILE 73 1HG1 ILE 73 3.946 -5.525 -5.000 560 HG13 ILE 73 2HG1 ILE 73 2.242 -5.951 -4.893 561 HG21 ILE 73 1HG2 ILE 73 5.291 -8.892 -5.055 562 HG22 ILE 73 2HG2 ILE 73 5.643 -7.168 -5.151 563 HG23 ILE 73 3HG2 ILE 73 5.241 -7.900 -3.598 564 HD11 ILE 73 3HD1 ILE 73 3.882 -5.061 -2.843 565 HD12 ILE 73 1HD1 ILE 73 2.259 -5.735 -2.691 566 HD13 ILE 73 2HD1 ILE 73 3.668 -6.784 -2.534 567 H MET 74 H MET 74 5.347 -8.993 -7.192 568 HA MET 74 HA MET 74 4.241 -11.715 -7.065 569 HB2 MET 74 1HB MET 74 5.856 -10.512 -9.317 570 HB3 MET 74 2HB MET 74 5.541 -12.234 -9.148 571 HG2 MET 74 1HG MET 74 3.036 -11.380 -9.035 572 HG3 MET 74 2HG MET 74 3.723 -10.037 -9.945 573 HE1 MET 74 3HE MET 74 3.940 -10.805 -13.205 574 HE2 MET 74 1HE MET 74 2.259 -11.076 -12.745 575 HE3 MET 74 2HE MET 74 3.218 -9.860 -11.902 576 H ASP 75 H ASP 75 5.911 -13.406 -6.985 577 HA ASP 75 HA ASP 75 7.755 -14.358 -6.053 578 HB2 ASP 75 1HB ASP 75 8.906 -12.996 -7.805 579 HB3 ASP 75 2HB ASP 75 9.110 -11.714 -6.615 580 H LEU 76 H LEU 76 6.014 -13.567 -4.214 581 HA LEU 76 HA LEU 76 7.500 -12.044 -2.193 582 HB2 LEU 76 1HB LEU 76 4.613 -12.663 -2.625 583 HB3 LEU 76 2HB LEU 76 5.184 -12.289 -1.000 584 HG LEU 76 HG LEU 76 5.282 -10.492 -3.420 585 HD11 LEU 76 1HD1 LEU 76 3.853 -9.057 -1.957 586 HD12 LEU 76 2HD1 LEU 76 3.729 -10.417 -0.842 587 HD13 LEU 76 3HD1 LEU 76 3.093 -10.560 -2.480 588 HD21 LEU 76 3HD2 LEU 76 6.470 -10.181 -0.675 589 HD22 LEU 76 1HD2 LEU 76 6.131 -8.811 -1.732 590 HD23 LEU 76 2HD2 LEU 76 7.278 -10.052 -2.238 591 H ASN 77 H ASN 77 7.850 -12.860 -0.120 592 HA ASN 77 HA ASN 77 8.388 -15.630 0.039 593 HB2 ASN 77 1HB ASN 77 8.356 -13.422 2.092 594 HB3 ASN 77 2HB ASN 77 8.744 -15.086 2.519 595 HD21 ASN 77 1HD2 ASN 77 10.622 -13.327 3.048 596 HD22 ASN 77 2HD2 ASN 77 11.924 -13.409 1.916 597 H LEU 78 H LEU 78 7.270 -17.300 0.894 598 HA LEU 78 HA LEU 78 4.478 -16.807 1.578 599 HB2 LEU 78 1HB LEU 78 6.060 -19.146 0.663 600 HB3 LEU 78 2HB LEU 78 4.624 -19.458 1.636 601 HG LEU 78 HG LEU 78 3.192 -18.559 0.001 602 HD11 LEU 78 1HD1 LEU 78 5.561 -17.591 -1.579 603 HD12 LEU 78 2HD1 LEU 78 4.663 -16.572 -0.455 604 HD13 LEU 78 3HD1 LEU 78 3.853 -17.256 -1.864 605 HD21 LEU 78 3HD2 LEU 78 5.258 -20.446 -0.859 606 HD22 LEU 78 1HD2 LEU 78 4.405 -19.650 -2.181 607 HD23 LEU 78 2HD2 LEU 78 3.501 -20.556 -0.968 608 H ASP 79 H ASP 79 3.538 -17.370 3.511 609 HA ASP 79 HA ASP 79 3.371 -17.789 5.741 610 HB2 ASP 79 1HB ASP 79 4.267 -20.007 5.140 611 HB3 ASP 79 2HB ASP 79 5.906 -19.389 5.327 612 H THR 80 H THR 80 4.562 -15.394 4.944 613 HA THR 80 HA THR 80 6.226 -14.850 7.288 614 HB THR 80 HB THR 80 6.971 -13.897 4.516 615 HG1 THR 80 1HG THR 80 7.701 -15.940 4.566 616 HG21 THR 80 3HG2 THR 80 7.450 -12.510 6.702 617 HG22 THR 80 1HG2 THR 80 8.685 -12.686 5.457 618 HG23 THR 80 2HG2 THR 80 8.744 -13.690 6.906 619 H MET 81 H MET 81 5.815 -12.922 8.240 620 HA MET 81 HA MET 81 3.492 -11.483 7.450 621 HB2 MET 81 1HB MET 81 4.590 -11.829 9.816 622 HB3 MET 81 2HB MET 81 5.465 -10.362 9.399 623 HG2 MET 81 1HG MET 81 3.679 -9.472 10.489 624 HG3 MET 81 2HG MET 81 3.066 -9.470 8.837 625 HE1 MET 81 3HE MET 81 1.225 -10.042 8.188 626 HE2 MET 81 1HE MET 81 0.374 -11.559 8.480 627 HE3 MET 81 2HE MET 81 -0.049 -10.119 9.407 628 H TYR 82 H TYR 82 3.311 -9.834 6.087 629 HA TYR 82 HA TYR 82 5.731 -8.287 5.426 630 HB2 TYR 82 1HB TYR 82 3.716 -9.576 3.661 631 HB3 TYR 82 2HB TYR 82 4.318 -7.997 3.168 632 HD1 TYR 82 1HD TYR 82 7.076 -7.928 3.695 633 HD2 TYR 82 2HD TYR 82 4.744 -11.285 2.514 634 HE1 TYR 82 1HE TYR 82 9.086 -8.985 2.751 635 HE2 TYR 82 2HE TYR 82 6.748 -12.352 1.568 636 HH TYR 82 HH TYR 82 9.166 -11.207 0.620 637 H TYR 83 H TYR 83 5.575 -6.198 5.867 638 HA TYR 83 HA TYR 83 3.007 -5.060 6.583 639 HB2 TYR 83 1HB TYR 83 5.695 -3.682 6.555 640 HB3 TYR 83 2HB TYR 83 4.250 -3.190 7.430 641 HD1 TYR 83 1HD TYR 83 3.324 -5.423 8.869 642 HD2 TYR 83 2HD TYR 83 7.355 -4.392 7.981 643 HE1 TYR 83 1HE TYR 83 4.076 -6.695 10.835 644 HE2 TYR 83 2HE TYR 83 8.119 -5.662 9.943 645 HH TYR 83 HH TYR 83 6.853 -6.355 12.291 646 H PHE 84 H PHE 84 1.980 -3.379 5.553 647 HA PHE 84 HA PHE 84 3.023 -2.673 2.889 648 HB2 PHE 84 1HB PHE 84 0.179 -3.124 3.796 649 HB3 PHE 84 2HB PHE 84 0.586 -2.342 2.272 650 HD1 PHE 84 1HD PHE 84 1.634 -3.606 0.467 651 HD2 PHE 84 2HD PHE 84 0.448 -5.482 4.098 652 HE1 PHE 84 1HE PHE 84 1.813 -5.807 -0.617 653 HE2 PHE 84 2HE PHE 84 0.626 -7.687 3.021 654 HZ PHE 84 HZ PHE 84 1.310 -7.852 0.661 655 H ARG 85 H ARG 85 2.990 -0.553 2.266 656 HA ARG 85 HA ARG 85 1.621 1.445 3.839 657 HB2 ARG 85 1HB ARG 85 4.587 1.072 3.951 658 HB3 ARG 85 2HB ARG 85 3.927 2.700 4.021 659 HG2 ARG 85 1HG ARG 85 2.509 1.946 5.943 660 HG3 ARG 85 2HG ARG 85 3.421 0.435 5.930 661 HD2 ARG 85 1HD ARG 85 5.318 1.414 6.730 662 HD3 ARG 85 2HD ARG 85 4.964 2.967 5.974 663 HE ARG 85 HE ARG 85 3.074 2.829 7.868 664 HH11 ARG 85 1HH1 ARG 85 6.510 2.279 7.972 665 HH12 ARG 85 2HH1 ARG 85 6.673 2.788 9.620 666 HH21 ARG 85 1HH2 ARG 85 3.276 3.501 10.038 667 HH22 ARG 85 2HH2 ARG 85 4.833 3.482 10.795 668 H ILE 86 H ILE 86 0.629 2.406 2.173 669 HA ILE 86 HA ILE 86 2.279 3.231 -0.127 670 HB ILE 86 HB ILE 86 0.472 1.625 -0.689 671 HG12 ILE 86 1HG1 ILE 86 0.112 4.415 -1.804 672 HG13 ILE 86 2HG1 ILE 86 1.285 3.227 -2.360 673 HG21 ILE 86 1HG2 ILE 86 -1.573 3.739 -0.257 674 HG22 ILE 86 2HG2 ILE 86 -1.746 1.984 -0.275 675 HG23 ILE 86 3HG2 ILE 86 -1.044 2.786 1.130 676 HD11 ILE 86 3HD1 ILE 86 -0.401 3.058 -3.920 677 HD12 ILE 86 1HD1 ILE 86 -0.784 1.748 -2.804 678 HD13 ILE 86 2HD1 ILE 86 -1.675 3.268 -2.720 679 H GLN 87 H GLN 87 1.712 5.274 -1.135 680 HA GLN 87 HA GLN 87 0.224 7.142 0.553 681 HB2 GLN 87 1HB GLN 87 2.050 8.828 0.308 682 HB3 GLN 87 2HB GLN 87 2.482 7.447 1.309 683 HG2 GLN 87 1HG GLN 87 3.474 6.496 -0.893 684 HG3 GLN 87 2HG GLN 87 3.436 8.177 -1.420 685 HE21 GLN 87 1HE2 GLN 87 4.004 9.413 1.014 686 HE22 GLN 87 2HE2 GLN 87 5.635 9.049 1.450 687 H ALA 88 H ALA 88 0.515 9.453 -0.714 688 HA ALA 88 HA ALA 88 -0.214 8.883 -3.514 689 HB1 ALA 88 3HB ALA 88 -1.455 11.275 -2.859 690 HB2 ALA 88 1HB ALA 88 -2.225 9.696 -3.019 691 HB3 ALA 88 2HB ALA 88 -1.686 10.259 -1.437 692 H ARG 89 H ARG 89 0.608 10.190 -5.092 693 HA ARG 89 HA ARG 89 2.292 12.449 -4.259 694 HB2 ARG 89 1HB ARG 89 3.899 10.758 -4.614 695 HB3 ARG 89 2HB ARG 89 3.059 10.141 -6.030 696 HG2 ARG 89 1HG ARG 89 3.633 12.215 -7.236 697 HG3 ARG 89 2HG ARG 89 4.550 12.747 -5.825 698 HD2 ARG 89 1HD ARG 89 6.056 10.886 -6.036 699 HD3 ARG 89 2HD ARG 89 5.078 10.188 -7.327 700 HE ARG 89 HE ARG 89 6.045 11.647 -8.812 701 HH11 ARG 89 1HH1 ARG 89 6.777 12.645 -5.558 702 HH12 ARG 89 2HH1 ARG 89 7.930 13.843 -6.046 703 HH21 ARG 89 1HH2 ARG 89 7.561 13.220 -9.467 704 HH22 ARG 89 2HH2 ARG 89 8.375 14.169 -8.270 705 H ASN 90 H ASN 90 1.846 14.248 -5.345 706 HA ASN 90 HA ASN 90 0.429 14.006 -7.917 707 HB2 ASN 90 1HB ASN 90 -0.496 16.283 -7.381 708 HB3 ASN 90 2HB ASN 90 -1.032 15.003 -6.296 709 HD21 ASN 90 1HD2 ASN 90 -1.544 16.718 -4.824 710 HD22 ASN 90 2HD2 ASN 90 -0.303 17.408 -3.839 711 H SER 91 H SER 91 0.709 16.010 -9.320 712 HA SER 91 HA SER 91 3.178 16.246 -10.345 713 HB2 SER 91 1HB SER 91 2.550 18.530 -11.148 714 HB3 SER 91 2HB SER 91 1.289 17.325 -11.405 715 HG SER 91 HG SER 91 0.664 18.220 -9.127 716 H LYS 92 H LYS 92 2.032 17.827 -7.446 717 HA LYS 92 HA LYS 92 4.268 19.585 -7.164 718 HB2 LYS 92 1HB LYS 92 2.361 18.642 -5.018 719 HB3 LYS 92 2HB LYS 92 3.378 20.076 -4.970 720 HG2 LYS 92 1HG LYS 92 2.032 21.250 -6.410 721 HG3 LYS 92 2HG LYS 92 1.379 19.792 -7.160 722 HD2 LYS 92 1HD LYS 92 0.112 19.313 -5.120 723 HD3 LYS 92 2HD LYS 92 0.766 20.772 -4.371 724 HE2 LYS 92 1HE LYS 92 -0.226 21.906 -6.537 725 HE3 LYS 92 2HE LYS 92 -1.263 20.481 -6.532 726 HZ1 LYS 92 3HZ LYS 92 -1.230 22.750 -4.730 727 HZ2 LYS 92 1HZ LYS 92 -1.428 21.245 -3.983 728 HZ3 LYS 92 2HZ LYS 92 -2.512 21.743 -5.181 729 H GLY 93 H GLY 93 3.273 16.922 -5.008 730 HA2 GLY 93 1HA GLY 93 5.865 15.690 -5.103 731 HA3 GLY 93 2HA GLY 93 5.607 16.599 -3.621 732 H VAL 94 H VAL 94 5.809 14.596 -2.477 733 HA VAL 94 HA VAL 94 3.351 12.972 -2.594 734 HB VAL 94 HB VAL 94 5.294 11.692 -3.404 735 HG11 VAL 94 1HG1 VAL 94 6.548 11.440 -0.773 736 HG12 VAL 94 2HG1 VAL 94 7.281 11.613 -2.369 737 HG13 VAL 94 3HG1 VAL 94 6.715 13.039 -1.498 738 HG21 VAL 94 3HG2 VAL 94 4.211 9.940 -2.574 739 HG22 VAL 94 1HG2 VAL 94 5.032 10.164 -1.029 740 HG23 VAL 94 2HG2 VAL 94 3.489 10.962 -1.332 741 H GLY 95 H GLY 95 2.341 12.508 -0.689 742 HA2 GLY 95 1HA GLY 95 3.242 14.029 1.633 743 HA3 GLY 95 2HA GLY 95 1.667 13.277 1.429 744 HA PRO 96 HA PRO 96 3.977 10.687 4.450 745 HB2 PRO 96 1HB PRO 96 1.816 10.213 6.023 746 HB3 PRO 96 2HB PRO 96 2.827 11.654 6.189 747 HG2 PRO 96 1HG PRO 96 0.196 11.336 4.797 748 HG3 PRO 96 2HG PRO 96 0.754 12.651 5.848 749 HD2 PRO 96 1HD PRO 96 0.748 12.848 3.147 750 HD3 PRO 96 2HD PRO 96 1.960 13.657 4.161 751 H LEU 97 H LEU 97 2.863 8.527 5.501 752 HA LEU 97 HA LEU 97 1.649 7.061 3.254 753 HB2 LEU 97 1HB LEU 97 3.609 5.879 5.205 754 HB3 LEU 97 2HB LEU 97 2.988 5.154 3.724 755 HG LEU 97 HG LEU 97 4.198 7.278 2.657 756 HD11 LEU 97 1HD1 LEU 97 4.877 7.966 5.027 757 HD12 LEU 97 2HD1 LEU 97 6.123 7.969 3.780 758 HD13 LEU 97 3HD1 LEU 97 6.038 6.642 4.938 759 HD21 LEU 97 3HD2 LEU 97 5.471 4.674 3.483 760 HD22 LEU 97 1HD2 LEU 97 6.185 5.803 2.331 761 HD23 LEU 97 2HD2 LEU 97 4.641 5.031 1.968 762 H SER 98 H SER 98 0.464 5.108 3.899 763 HA SER 98 HA SER 98 -1.201 5.659 6.183 764 HB2 SER 98 1HB SER 98 -1.769 4.569 3.809 765 HB3 SER 98 2HB SER 98 -1.446 3.084 4.705 766 HG SER 98 HG SER 98 -2.969 3.975 6.305 767 H ASP 99 H ASP 99 -1.765 3.904 7.736 768 HA ASP 99 HA ASP 99 0.500 3.069 9.160 769 HB2 ASP 99 1HB ASP 99 -2.314 1.973 9.357 770 HB3 ASP 99 2HB ASP 99 -1.054 1.831 10.580 771 HA PRO 100 HA PRO 100 1.716 -0.691 7.244 772 HB2 PRO 100 1HB PRO 100 2.748 -2.013 9.379 773 HB3 PRO 100 2HB PRO 100 3.557 -0.638 8.617 774 HG2 PRO 100 1HG PRO 100 1.876 -0.712 11.093 775 HG3 PRO 100 2HG PRO 100 3.402 0.142 10.802 776 HD2 PRO 100 1HD PRO 100 0.996 1.382 10.705 777 HD3 PRO 100 2HD PRO 100 2.365 1.873 9.688 778 H ILE 101 H ILE 101 0.396 -2.249 6.564 779 HA ILE 101 HA ILE 101 -1.590 -3.369 8.386 780 HB ILE 101 HB ILE 101 -1.265 -3.755 5.408 781 HG12 ILE 101 1HG1 ILE 101 -3.132 -2.004 7.020 782 HG13 ILE 101 2HG1 ILE 101 -1.865 -1.463 5.925 783 HG21 ILE 101 1HG2 ILE 101 -2.669 -5.310 7.251 784 HG22 ILE 101 2HG2 ILE 101 -3.886 -4.300 6.471 785 HG23 ILE 101 3HG2 ILE 101 -2.835 -5.326 5.495 786 HD11 ILE 101 3HD1 ILE 101 -3.190 -2.762 4.132 787 HD12 ILE 101 1HD1 ILE 101 -4.516 -2.676 5.291 788 HD13 ILE 101 2HD1 ILE 101 -3.784 -1.193 4.676 789 H LEU 102 H LEU 102 -1.575 -5.421 9.114 790 HA LEU 102 HA LEU 102 0.775 -7.043 8.494 791 HB2 LEU 102 1HB LEU 102 -1.137 -6.858 10.749 792 HB3 LEU 102 2HB LEU 102 -0.436 -8.441 10.420 793 HG LEU 102 HG LEU 102 1.827 -7.120 10.504 794 HD11 LEU 102 1HD1 LEU 102 1.733 -5.297 12.169 795 HD12 LEU 102 2HD1 LEU 102 -0.028 -5.356 12.095 796 HD13 LEU 102 3HD1 LEU 102 0.899 -4.902 10.665 797 HD21 LEU 102 3HD2 LEU 102 0.903 -8.915 12.058 798 HD22 LEU 102 1HD2 LEU 102 0.391 -7.588 13.100 799 HD23 LEU 102 2HD2 LEU 102 2.101 -7.809 12.731 800 H PHE 103 H PHE 103 0.479 -8.256 6.724 801 HA PHE 103 HA PHE 103 -1.903 -9.981 6.649 802 HB2 PHE 103 1HB PHE 103 -2.319 -8.355 4.961 803 HB3 PHE 103 2HB PHE 103 -0.659 -8.432 4.379 804 HD1 PHE 103 1HD PHE 103 -3.917 -10.104 4.416 805 HD2 PHE 103 2HD PHE 103 0.063 -10.189 2.908 806 HE1 PHE 103 1HE PHE 103 -4.587 -11.786 2.750 807 HE2 PHE 103 2HE PHE 103 -0.602 -11.870 1.239 808 HZ PHE 103 HZ PHE 103 -2.929 -12.670 1.158 809 H ARG 104 H ARG 104 -1.257 -12.005 6.924 810 HA ARG 104 HA ARG 104 1.437 -12.815 6.235 811 HB2 ARG 104 1HB ARG 104 -0.019 -13.507 8.313 812 HB3 ARG 104 2HB ARG 104 -0.650 -14.723 7.210 813 HG2 ARG 104 1HG ARG 104 1.304 -15.884 7.147 814 HG3 ARG 104 2HG ARG 104 2.295 -14.449 7.417 815 HD2 ARG 104 1HD ARG 104 2.087 -14.565 9.687 816 HD3 ARG 104 2HD ARG 104 0.497 -15.323 9.611 817 HE ARG 104 HE ARG 104 2.092 -17.262 8.664 818 HH11 ARG 104 1HH1 ARG 104 2.305 -15.238 11.489 819 HH12 ARG 104 2HH1 ARG 104 3.139 -16.425 12.437 820 HH21 ARG 104 1HH2 ARG 104 3.189 -18.832 9.902 821 HH22 ARG 104 2HH2 ARG 104 3.642 -18.469 11.533 822 H THR 105 H THR 105 1.962 -13.572 4.304 823 HA THR 105 HA THR 105 0.147 -14.070 2.236 824 HB THR 105 HB THR 105 2.067 -15.151 1.057 825 HG1 THR 105 1HG THR 105 4.116 -14.701 2.444 826 HG21 THR 105 3HG2 THR 105 1.643 -12.606 1.301 827 HG22 THR 105 1HG2 THR 105 3.201 -13.152 0.683 828 HG23 THR 105 2HG2 THR 105 3.050 -12.638 2.363 829 H LEU 106 H LEU 106 0.166 -16.228 0.989 830 HA LEU 106 HA LEU 106 -1.014 -18.198 2.683 831 HB2 LEU 106 1HB LEU 106 -0.559 -17.844 -0.217 832 HB3 LEU 106 2HB LEU 106 -0.760 -19.499 0.354 833 HG LEU 106 HG LEU 106 -2.748 -17.257 0.713 834 HD11 LEU 106 1HD1 LEU 106 -2.401 -19.387 -1.317 835 HD12 LEU 106 2HD1 LEU 106 -3.063 -17.761 -1.478 836 HD13 LEU 106 3HD1 LEU 106 -4.041 -19.044 -0.765 837 HD21 LEU 106 3HD2 LEU 106 -3.689 -18.507 2.283 838 HD22 LEU 106 1HD2 LEU 106 -2.411 -19.711 2.114 839 HD23 LEU 106 2HD2 LEU 106 -3.866 -19.824 1.123 840 H LYS 107 H LYS 107 -0.363 -20.575 2.361 841 HA LYS 107 HA LYS 107 2.572 -20.813 2.496 842 HB2 LYS 107 1HB LYS 107 0.544 -22.302 4.174 843 HB3 LYS 107 2HB LYS 107 2.286 -22.539 4.223 844 HG2 LYS 107 1HG LYS 107 2.048 -21.156 6.005 845 HG3 LYS 107 2HG LYS 107 2.264 -19.947 4.737 846 HD2 LYS 107 1HD LYS 107 -0.176 -19.726 4.553 847 HD3 LYS 107 2HD LYS 107 -0.374 -20.911 5.845 848 HE2 LYS 107 1HE LYS 107 0.798 -19.438 7.391 849 HE3 LYS 107 2HE LYS 107 1.055 -18.265 6.100 850 HZ1 LYS 107 3HZ LYS 107 -1.664 -19.133 6.863 851 HZ2 LYS 107 1HZ LYS 107 -1.195 -17.736 6.032 852 HZ3 LYS 107 2HZ LYS 107 -0.881 -17.881 7.687 853 H VAL 108 H VAL 108 3.131 -21.807 0.660 854 HA VAL 108 HA VAL 108 1.553 -24.144 -0.196 855 HB VAL 108 HB VAL 108 3.371 -22.404 -1.868 856 HG11 VAL 108 1HG1 VAL 108 3.357 -24.024 -3.384 857 HG12 VAL 108 2HG1 VAL 108 2.460 -25.055 -2.268 858 HG13 VAL 108 3HG1 VAL 108 1.594 -24.015 -3.400 859 HG21 VAL 108 3HG2 VAL 108 0.526 -22.561 -2.540 860 HG22 VAL 108 1HG2 VAL 108 0.863 -21.779 -0.996 861 HG23 VAL 108 2HG2 VAL 108 1.602 -21.165 -2.476 862 H SER 109 H SER 109 2.649 -25.610 1.155 863 HA SER 109 HA SER 109 5.317 -26.332 0.171 864 HB2 SER 109 1HB SER 109 4.515 -26.069 3.076 865 HB3 SER 109 2HB SER 109 5.982 -26.881 2.533 866 HG SER 109 HG SER 109 6.796 -24.979 1.841 867 H GLY 110 H GLY 110 5.596 -28.462 -0.175 868 HA2 GLY 110 1HA GLY 110 5.258 -30.770 0.354 869 HA3 GLY 110 2HA GLY 110 3.703 -30.346 1.055 870 HA PRO 111 HA PRO 111 3.409 -31.816 -3.477 871 HB2 PRO 111 1HB PRO 111 2.566 -34.360 -3.037 872 HB3 PRO 111 2HB PRO 111 4.272 -33.928 -3.206 873 HG2 PRO 111 1HG PRO 111 2.677 -34.404 -0.718 874 HG3 PRO 111 2HG PRO 111 4.317 -34.947 -1.116 875 HD2 PRO 111 1HD PRO 111 3.837 -32.811 0.476 876 HD3 PRO 111 2HD PRO 111 5.256 -32.910 -0.585 877 H SER 112 H SER 112 1.654 -30.278 -3.306 878 HA SER 112 HA SER 112 -0.862 -31.174 -2.191 879 HB2 SER 112 1HB SER 112 -1.681 -28.995 -2.656 880 HB3 SER 112 2HB SER 112 -0.007 -28.766 -2.150 881 HG SER 112 HG SER 112 -1.190 -28.351 -4.613 882 H SER 113 H SER 113 0.017 -32.899 -4.175 883 HA SER 113 HA SER 113 -1.857 -32.337 -6.380 884 HB2 SER 113 1HB SER 113 0.500 -32.427 -7.116 885 HB3 SER 113 2HB SER 113 0.636 -34.056 -6.455 886 HG SER 113 HG SER 113 -0.186 -34.755 -8.244 887 H GLY 114 H GLY 114 -3.632 -33.533 -6.292 888 HA2 GLY 114 1HA GLY 114 -4.180 -36.047 -6.530 889 HA3 GLY 114 2HA GLY 114 -3.523 -36.124 -4.902 Start of MODEL 5 1 H1 GLY 1 H GLY 1 14.857 29.443 -3.390 2 HA2 GLY 1 1HA GLY 1 13.554 29.464 -0.789 3 HA3 GLY 1 2HA GLY 1 13.012 30.304 -2.235 4 H SER 2 H SER 2 12.673 27.530 -0.278 5 HA SER 2 HA SER 2 11.156 26.060 -2.286 6 HB2 SER 2 1HB SER 2 12.260 25.434 0.416 7 HB3 SER 2 2HB SER 2 10.870 24.508 -0.150 8 HG SER 2 HG SER 2 13.026 23.661 -0.688 9 H SER 3 H SER 3 9.350 27.378 -2.569 10 HA SER 3 HA SER 3 7.276 27.006 -0.600 11 HB2 SER 3 1HB SER 3 8.544 29.669 -1.070 12 HB3 SER 3 2HB SER 3 6.801 29.607 -0.812 13 HG SER 3 HG SER 3 8.283 29.819 1.097 14 H GLY 4 H GLY 4 5.535 26.443 -1.715 15 HA2 GLY 4 1HA GLY 4 3.948 27.593 -3.408 16 HA3 GLY 4 2HA GLY 4 5.299 27.344 -4.504 17 H SER 5 H SER 5 6.165 24.853 -3.920 18 HA SER 5 HA SER 5 3.937 23.232 -4.873 19 HB2 SER 5 1HB SER 5 5.631 21.585 -5.476 20 HB3 SER 5 2HB SER 5 6.104 23.173 -6.082 21 HG SER 5 HG SER 5 7.879 22.870 -5.016 22 H SER 6 H SER 6 2.715 22.312 -3.366 23 HA SER 6 HA SER 6 4.057 20.966 -1.119 24 HB2 SER 6 1HB SER 6 1.694 22.820 -1.056 25 HB3 SER 6 2HB SER 6 1.867 21.561 0.167 26 HG SER 6 HG SER 6 2.841 23.749 0.558 27 H GLY 7 H GLY 7 3.890 18.905 -1.871 28 HA2 GLY 7 1HA GLY 7 1.791 17.791 -3.313 29 HA3 GLY 7 2HA GLY 7 2.901 16.880 -2.300 30 HA PRO 8 HA PRO 8 -1.377 16.435 -0.559 31 HB2 PRO 8 1HB PRO 8 -1.225 13.742 -0.246 32 HB3 PRO 8 2HB PRO 8 -1.748 14.506 -1.751 33 HG2 PRO 8 1HG PRO 8 0.932 13.387 -1.026 34 HG3 PRO 8 2HG PRO 8 0.025 13.225 -2.541 35 HD2 PRO 8 1HD PRO 8 2.064 14.981 -2.245 36 HD3 PRO 8 2HD PRO 8 0.671 15.304 -3.297 37 H THR 9 H THR 9 -1.916 16.147 1.589 38 HA THR 9 HA THR 9 0.322 15.535 3.409 39 HB THR 9 HB THR 9 -0.673 17.060 5.044 40 HG1 THR 9 1HG THR 9 -2.593 17.495 2.984 41 HG21 THR 9 3HG2 THR 9 0.197 17.963 2.371 42 HG22 THR 9 1HG2 THR 9 0.852 18.340 3.964 43 HG23 THR 9 2HG2 THR 9 -0.583 19.181 3.379 44 H SER 10 H SER 10 -1.844 13.805 2.241 45 HA SER 10 HA SER 10 -2.693 12.629 4.779 46 HB2 SER 10 1HB SER 10 -4.984 12.208 3.752 47 HB3 SER 10 2HB SER 10 -4.646 13.873 4.225 48 HG SER 10 HG SER 10 -3.832 13.827 1.817 49 H ALA 11 H ALA 11 -2.875 10.413 4.751 50 HA ALA 11 HA ALA 11 -1.612 9.084 2.509 51 HB1 ALA 11 3HB ALA 11 -1.096 7.416 3.949 52 HB2 ALA 11 1HB ALA 11 -1.399 8.677 5.145 53 HB3 ALA 11 2HB ALA 11 -2.653 7.494 4.772 54 HA PRO 12 HA PRO 12 -5.191 7.452 0.561 55 HB2 PRO 12 1HB PRO 12 -4.338 4.986 -0.190 56 HB3 PRO 12 2HB PRO 12 -3.781 6.473 -0.966 57 HG2 PRO 12 1HG PRO 12 -2.441 4.816 1.136 58 HG3 PRO 12 2HG PRO 12 -1.741 5.569 -0.309 59 HD2 PRO 12 1HD PRO 12 -1.502 6.654 2.160 60 HD3 PRO 12 2HD PRO 12 -1.596 7.642 0.688 61 H LYS 13 H LYS 13 -6.857 5.825 0.678 62 HA LYS 13 HA LYS 13 -6.860 4.338 3.223 63 HB2 LYS 13 1HB LYS 13 -9.346 4.683 3.224 64 HB3 LYS 13 2HB LYS 13 -8.403 6.150 3.450 65 HG2 LYS 13 1HG LYS 13 -8.677 6.511 0.942 66 HG3 LYS 13 2HG LYS 13 -9.916 5.257 1.020 67 HD2 LYS 13 1HD LYS 13 -11.292 6.543 2.410 68 HD3 LYS 13 2HD LYS 13 -9.973 7.625 2.863 69 HE2 LYS 13 1HE LYS 13 -11.329 8.844 1.364 70 HE3 LYS 13 2HE LYS 13 -9.912 8.349 0.440 71 HZ1 LYS 13 3HZ LYS 13 -12.097 8.051 -0.706 72 HZ2 LYS 13 1HZ LYS 13 -12.465 6.842 0.419 73 HZ3 LYS 13 2HZ LYS 13 -11.145 6.654 -0.623 74 H ASP 14 H ASP 14 -8.997 2.783 3.024 75 HA ASP 14 HA ASP 14 -9.755 0.812 2.176 76 HB2 ASP 14 1HB ASP 14 -10.636 2.303 0.409 77 HB3 ASP 14 2HB ASP 14 -9.138 2.095 -0.494 78 H LEU 15 H LEU 15 -6.853 1.237 2.704 79 HA LEU 15 HA LEU 15 -5.364 -0.242 0.788 80 HB2 LEU 15 1HB LEU 15 -4.428 1.386 2.443 81 HB3 LEU 15 2HB LEU 15 -4.708 0.180 3.697 82 HG LEU 15 HG LEU 15 -3.111 -1.320 2.631 83 HD11 LEU 15 1HD1 LEU 15 -3.110 0.801 0.532 84 HD12 LEU 15 2HD1 LEU 15 -3.174 -0.953 0.360 85 HD13 LEU 15 3HD1 LEU 15 -1.659 -0.166 0.803 86 HD21 LEU 15 3HD2 LEU 15 -1.569 -0.333 3.881 87 HD22 LEU 15 1HD2 LEU 15 -2.521 1.151 3.878 88 HD23 LEU 15 2HD2 LEU 15 -1.307 0.881 2.627 89 H THR 16 H THR 16 -6.177 -2.235 0.351 90 HA THR 16 HA THR 16 -6.222 -4.148 2.592 91 HB THR 16 HB THR 16 -8.046 -4.317 0.191 92 HG1 THR 16 1HG THR 16 -9.666 -3.667 1.806 93 HG21 THR 16 3HG2 THR 16 -7.305 -6.219 2.065 94 HG22 THR 16 1HG2 THR 16 -8.722 -6.282 1.018 95 HG23 THR 16 2HG2 THR 16 -8.860 -5.630 2.651 96 H VAL 17 H VAL 17 -5.122 -6.005 2.301 97 HA VAL 17 HA VAL 17 -3.971 -6.494 -0.369 98 HB VAL 17 HB VAL 17 -2.740 -7.151 2.311 99 HG11 VAL 17 1HG1 VAL 17 -2.302 -8.675 0.282 100 HG12 VAL 17 2HG1 VAL 17 -1.365 -7.318 -0.346 101 HG13 VAL 17 3HG1 VAL 17 -0.917 -8.065 1.188 102 HG21 VAL 17 3HG2 VAL 17 -2.199 -4.969 2.260 103 HG22 VAL 17 1HG2 VAL 17 -1.011 -5.470 1.057 104 HG23 VAL 17 2HG2 VAL 17 -2.565 -4.816 0.541 105 H ILE 18 H ILE 18 -4.712 -8.270 -1.307 106 HA ILE 18 HA ILE 18 -5.412 -10.575 0.387 107 HB ILE 18 HB ILE 18 -7.218 -11.136 -1.200 108 HG12 ILE 18 1HG1 ILE 18 -6.991 -8.355 -2.316 109 HG13 ILE 18 2HG1 ILE 18 -6.099 -9.685 -3.045 110 HG21 ILE 18 1HG2 ILE 18 -8.815 -9.511 -0.403 111 HG22 ILE 18 2HG2 ILE 18 -7.662 -9.882 0.879 112 HG23 ILE 18 3HG2 ILE 18 -7.518 -8.376 -0.027 113 HD11 ILE 18 3HD1 ILE 18 -8.185 -9.293 -4.209 114 HD12 ILE 18 1HD1 ILE 18 -8.198 -10.874 -3.428 115 HD13 ILE 18 2HD1 ILE 18 -9.084 -9.528 -2.710 116 H THR 19 H THR 19 -4.853 -12.585 -0.369 117 HA THR 19 HA THR 19 -2.736 -12.688 -2.289 118 HB THR 19 HB THR 19 -2.741 -14.170 -0.333 119 HG1 THR 19 1HG THR 19 -2.634 -15.137 -2.950 120 HG21 THR 19 3HG2 THR 19 -5.109 -15.487 -1.667 121 HG22 THR 19 1HG2 THR 19 -5.146 -14.569 -0.162 122 HG23 THR 19 2HG2 THR 19 -4.263 -16.093 -0.244 123 H ARG 20 H ARG 20 -2.824 -13.132 -4.399 124 HA ARG 20 HA ARG 20 -5.200 -13.147 -5.845 125 HB2 ARG 20 1HB ARG 20 -2.389 -13.962 -6.506 126 HB3 ARG 20 2HB ARG 20 -3.678 -14.196 -7.679 127 HG2 ARG 20 1HG ARG 20 -4.158 -11.659 -7.129 128 HG3 ARG 20 2HG ARG 20 -2.453 -11.688 -6.677 129 HD2 ARG 20 1HD ARG 20 -2.889 -11.036 -9.050 130 HD3 ARG 20 2HD ARG 20 -1.812 -12.418 -8.855 131 HE ARG 20 HE ARG 20 -3.351 -13.717 -9.937 132 HH11 ARG 20 1HH1 ARG 20 -4.891 -10.777 -8.884 133 HH12 ARG 20 2HH1 ARG 20 -6.374 -11.101 -9.719 134 HH21 ARG 20 1HH2 ARG 20 -5.299 -14.154 -11.041 135 HH22 ARG 20 2HH2 ARG 20 -6.605 -13.022 -10.945 136 H GLU 21 H GLU 21 -6.327 -14.778 -6.958 137 HA GLU 21 HA GLU 21 -6.510 -17.256 -5.519 138 HB2 GLU 21 1HB GLU 21 -8.447 -17.686 -6.776 139 HB3 GLU 21 2HB GLU 21 -8.438 -15.940 -6.569 140 HG2 GLU 21 1HG GLU 21 -7.391 -15.767 -8.836 141 HG3 GLU 21 2HG GLU 21 -7.680 -17.495 -9.026 142 H GLY 22 H GLY 22 -5.093 -16.173 -8.518 143 HA2 GLY 22 1HA GLY 22 -4.656 -18.863 -9.504 144 HA3 GLY 22 2HA GLY 22 -4.113 -17.372 -10.258 145 H LYS 23 H LYS 23 -2.948 -16.559 -7.577 146 HA LYS 23 HA LYS 23 -0.773 -18.453 -7.240 147 HB2 LYS 23 1HB LYS 23 -0.259 -15.612 -8.141 148 HB3 LYS 23 2HB LYS 23 0.973 -16.774 -7.664 149 HG2 LYS 23 1HG LYS 23 0.585 -18.117 -9.560 150 HG3 LYS 23 2HG LYS 23 -0.919 -17.275 -9.942 151 HD2 LYS 23 1HD LYS 23 0.297 -15.270 -10.511 152 HD3 LYS 23 2HD LYS 23 1.817 -16.002 -9.990 153 HE2 LYS 23 1HE LYS 23 1.722 -16.107 -12.377 154 HE3 LYS 23 2HE LYS 23 1.500 -17.740 -11.749 155 HZ1 LYS 23 3HZ LYS 23 -0.979 -16.352 -12.080 156 HZ2 LYS 23 1HZ LYS 23 -0.508 -17.870 -12.661 157 HZ3 LYS 23 2HZ LYS 23 -0.123 -16.474 -13.534 158 HA PRO 24 HA PRO 24 -1.390 -16.965 -3.111 159 HB2 PRO 24 1HB PRO 24 0.658 -18.332 -1.966 160 HB3 PRO 24 2HB PRO 24 -0.864 -19.097 -2.437 161 HG2 PRO 24 1HG PRO 24 1.757 -19.048 -3.881 162 HG3 PRO 24 2HG PRO 24 0.636 -20.401 -3.645 163 HD2 PRO 24 1HD PRO 24 0.753 -18.993 -5.955 164 HD3 PRO 24 2HD PRO 24 -0.753 -19.712 -5.350 165 H ARG 25 H ARG 25 1.986 -17.195 -4.255 166 HA ARG 25 HA ARG 25 3.078 -15.295 -2.540 167 HB2 ARG 25 1HB ARG 25 3.906 -16.055 -5.346 168 HB3 ARG 25 2HB ARG 25 4.882 -15.079 -4.256 169 HG2 ARG 25 1HG ARG 25 5.361 -16.857 -2.873 170 HG3 ARG 25 2HG ARG 25 3.939 -17.770 -3.382 171 HD2 ARG 25 1HD ARG 25 5.007 -18.009 -5.633 172 HD3 ARG 25 2HD ARG 25 6.463 -17.284 -4.953 173 HE ARG 25 HE ARG 25 6.943 -19.289 -3.976 174 HH11 ARG 25 1HH1 ARG 25 3.568 -19.238 -4.825 175 HH12 ARG 25 2HH1 ARG 25 3.301 -20.896 -4.397 176 HH21 ARG 25 1HH2 ARG 25 6.605 -21.473 -3.409 177 HH22 ARG 25 2HH2 ARG 25 5.029 -22.166 -3.591 178 H ALA 26 H ALA 26 0.934 -14.866 -5.139 179 HA ALA 26 HA ALA 26 1.691 -12.074 -5.559 180 HB1 ALA 26 3HB ALA 26 0.592 -14.058 -7.216 181 HB2 ALA 26 1HB ALA 26 -0.661 -12.835 -7.005 182 HB3 ALA 26 2HB ALA 26 0.927 -12.374 -7.620 183 H VAL 27 H VAL 27 0.263 -10.346 -5.217 184 HA VAL 27 HA VAL 27 -2.236 -10.871 -3.811 185 HB VAL 27 HB VAL 27 -1.695 -9.299 -1.994 186 HG11 VAL 27 1HG1 VAL 27 -0.103 -11.800 -2.365 187 HG12 VAL 27 2HG1 VAL 27 0.127 -10.816 -0.918 188 HG13 VAL 27 3HG1 VAL 27 -1.463 -11.484 -1.287 189 HG21 VAL 27 3HG2 VAL 27 0.947 -9.055 -1.750 190 HG22 VAL 27 1HG2 VAL 27 0.842 -9.093 -3.510 191 HG23 VAL 27 2HG2 VAL 27 -0.038 -7.865 -2.601 192 H ILE 28 H ILE 28 -3.621 -9.006 -3.668 193 HA ILE 28 HA ILE 28 -2.964 -6.960 -5.684 194 HB ILE 28 HB ILE 28 -5.761 -7.691 -4.855 195 HG12 ILE 28 1HG1 ILE 28 -4.619 -9.718 -5.708 196 HG13 ILE 28 2HG1 ILE 28 -5.901 -9.170 -6.783 197 HG21 ILE 28 1HG2 ILE 28 -6.389 -6.142 -6.321 198 HG22 ILE 28 2HG2 ILE 28 -4.698 -5.655 -6.425 199 HG23 ILE 28 3HG2 ILE 28 -5.352 -6.821 -7.575 200 HD11 ILE 28 3HD1 ILE 28 -4.488 -8.951 -8.471 201 HD12 ILE 28 1HD1 ILE 28 -3.368 -7.997 -7.498 202 HD13 ILE 28 2HD1 ILE 28 -3.284 -9.759 -7.467 203 H VAL 29 H VAL 29 -2.100 -5.393 -4.375 204 HA VAL 29 HA VAL 29 -3.393 -4.581 -1.933 205 HB VAL 29 HB VAL 29 -1.128 -3.277 -3.450 206 HG11 VAL 29 1HG1 VAL 29 -2.628 -2.503 -1.069 207 HG12 VAL 29 2HG1 VAL 29 -0.883 -2.564 -0.815 208 HG13 VAL 29 3HG1 VAL 29 -1.555 -1.550 -2.093 209 HG21 VAL 29 3HG2 VAL 29 -1.220 -5.660 -1.907 210 HG22 VAL 29 1HG2 VAL 29 0.180 -4.876 -2.638 211 HG23 VAL 29 2HG2 VAL 29 -0.310 -4.453 -0.998 212 H SER 30 H SER 30 -5.355 -3.669 -2.220 213 HA SER 30 HA SER 30 -5.739 -1.682 -4.320 214 HB2 SER 30 1HB SER 30 -8.118 -1.774 -3.672 215 HB3 SER 30 2HB SER 30 -7.482 -3.381 -4.022 216 HG SER 30 HG SER 30 -7.960 -3.931 -2.061 217 H TRP 31 H TRP 31 -7.033 0.302 -3.697 218 HA TRP 31 HA TRP 31 -6.979 1.323 -1.074 219 HB2 TRP 31 1HB TRP 31 -5.174 2.939 -1.218 220 HB3 TRP 31 2HB TRP 31 -4.530 1.321 -1.479 221 HD1 TRP 31 HD TRP 31 -5.332 4.556 -3.399 222 HE1 TRP 31 1HE TRP 31 -3.959 4.568 -5.576 223 HE3 TRP 31 3HE TRP 31 -3.347 -0.147 -3.132 224 HZ2 TRP 31 2HZ TRP 31 -2.260 2.815 -6.993 225 HZ3 TRP 31 3HZ TRP 31 -1.858 -0.903 -4.939 226 HH2 TRP 31 HH TRP 31 -1.327 0.549 -6.829 227 H GLN 32 H GLN 32 -6.999 3.934 -1.286 228 HA GLN 32 HA GLN 32 -8.481 4.705 -3.684 229 HB2 GLN 32 1HB GLN 32 -9.550 4.721 -0.881 230 HB3 GLN 32 2HB GLN 32 -10.124 5.897 -2.056 231 HG2 GLN 32 1HG GLN 32 -10.360 3.593 -3.464 232 HG3 GLN 32 2HG GLN 32 -10.679 3.030 -1.825 233 HE21 GLN 32 1HE2 GLN 32 -11.594 5.534 -4.146 234 HE22 GLN 32 2HE2 GLN 32 -13.237 5.664 -3.627 235 HA PRO 33 HA PRO 33 -6.369 8.530 -3.302 236 HB2 PRO 33 1HB PRO 33 -8.218 10.295 -4.216 237 HB3 PRO 33 2HB PRO 33 -7.368 9.162 -5.272 238 HG2 PRO 33 1HG PRO 33 -10.114 8.960 -4.097 239 HG3 PRO 33 2HG PRO 33 -9.570 8.579 -5.742 240 HD2 PRO 33 1HD PRO 33 -9.978 6.671 -3.864 241 HD3 PRO 33 2HD PRO 33 -8.737 6.520 -5.125 242 HA PRO 34 HA PRO 34 -7.506 10.139 0.678 243 HB2 PRO 34 1HB PRO 34 -5.619 12.087 0.797 244 HB3 PRO 34 2HB PRO 34 -5.251 10.376 1.046 245 HG2 PRO 34 1HG PRO 34 -4.892 12.052 -1.408 246 HG3 PRO 34 2HG PRO 34 -3.793 10.853 -0.701 247 HD2 PRO 34 1HD PRO 34 -5.381 10.300 -2.824 248 HD3 PRO 34 2HD PRO 34 -4.941 9.076 -1.616 249 H LEU 35 H LEU 35 -8.006 12.309 1.646 250 HA LEU 35 HA LEU 35 -9.645 13.819 -0.225 251 HB2 LEU 35 1HB LEU 35 -9.457 13.629 2.751 252 HB3 LEU 35 2HB LEU 35 -10.248 15.019 2.011 253 HG LEU 35 HG LEU 35 -11.826 13.259 2.728 254 HD11 LEU 35 1HD1 LEU 35 -11.617 14.418 0.070 255 HD12 LEU 35 2HD1 LEU 35 -13.004 14.308 1.154 256 HD13 LEU 35 3HD1 LEU 35 -12.597 12.952 0.104 257 HD21 LEU 35 3HD2 LEU 35 -11.841 11.116 1.867 258 HD22 LEU 35 1HD2 LEU 35 -10.114 11.422 2.051 259 HD23 LEU 35 2HD2 LEU 35 -10.869 11.559 0.463 260 H GLU 36 H GLU 36 -6.985 14.370 2.051 261 HA GLU 36 HA GLU 36 -6.749 17.147 1.271 262 HB2 GLU 36 1HB GLU 36 -4.759 15.623 2.934 263 HB3 GLU 36 2HB GLU 36 -5.111 17.345 2.954 264 HG2 GLU 36 1HG GLU 36 -7.379 16.780 3.847 265 HG3 GLU 36 2HG GLU 36 -6.825 15.115 4.010 266 H ALA 37 H ALA 37 -6.384 15.086 -0.770 267 HA ALA 37 HA ALA 37 -3.715 14.613 -1.414 268 HB1 ALA 37 3HB ALA 37 -5.976 15.043 -3.361 269 HB2 ALA 37 1HB ALA 37 -4.473 14.170 -3.658 270 HB3 ALA 37 2HB ALA 37 -5.651 13.533 -2.510 271 H ASN 38 H ASN 38 -5.416 17.544 -1.357 272 HA ASN 38 HA ASN 38 -4.963 19.660 -2.067 273 HB2 ASN 38 1HB ASN 38 -2.195 18.495 -1.804 274 HB3 ASN 38 2HB ASN 38 -2.461 20.184 -2.224 275 HD21 ASN 38 1HD2 ASN 38 -1.993 18.051 0.262 276 HD22 ASN 38 2HD2 ASN 38 -2.559 19.025 1.572 277 H GLY 39 H GLY 39 -5.803 18.031 -4.119 278 HA2 GLY 39 1HA GLY 39 -5.680 19.220 -6.408 279 HA3 GLY 39 2HA GLY 39 -4.016 18.655 -6.372 280 H LYS 40 H LYS 40 -4.301 17.403 -8.233 281 HA LYS 40 HA LYS 40 -6.052 15.056 -7.901 282 HB2 LYS 40 1HB LYS 40 -6.757 16.305 -9.812 283 HB3 LYS 40 2HB LYS 40 -5.104 16.477 -10.388 284 HG2 LYS 40 1HG LYS 40 -5.194 13.855 -10.460 285 HG3 LYS 40 2HG LYS 40 -6.934 14.138 -10.540 286 HD2 LYS 40 1HD LYS 40 -6.765 15.313 -12.558 287 HD3 LYS 40 2HD LYS 40 -5.031 15.576 -12.362 288 HE2 LYS 40 1HE LYS 40 -6.229 12.838 -12.696 289 HE3 LYS 40 2HE LYS 40 -5.741 13.832 -14.068 290 HZ1 LYS 40 3HZ LYS 40 -4.116 12.361 -12.191 291 HZ2 LYS 40 1HZ LYS 40 -3.563 13.930 -12.498 292 HZ3 LYS 40 2HZ LYS 40 -3.773 12.841 -13.776 293 H ILE 41 H ILE 41 -4.889 13.390 -7.189 294 HA ILE 41 HA ILE 41 -2.184 13.022 -7.212 295 HB ILE 41 HB ILE 41 -4.212 10.808 -7.537 296 HG12 ILE 41 1HG1 ILE 41 -4.866 12.141 -5.657 297 HG13 ILE 41 2HG1 ILE 41 -4.059 10.710 -5.024 298 HG21 ILE 41 1HG2 ILE 41 -2.541 9.362 -7.304 299 HG22 ILE 41 2HG2 ILE 41 -1.424 10.712 -7.501 300 HG23 ILE 41 3HG2 ILE 41 -1.928 10.213 -5.887 301 HD11 ILE 41 3HD1 ILE 41 -3.138 12.361 -3.738 302 HD12 ILE 41 1HD1 ILE 41 -1.955 12.250 -5.041 303 HD13 ILE 41 2HD1 ILE 41 -3.155 13.543 -5.046 304 H THR 42 H THR 42 -0.652 12.268 -8.590 305 HA THR 42 HA THR 42 -1.525 11.668 -11.342 306 HB THR 42 HB THR 42 0.754 12.487 -12.037 307 HG1 THR 42 1HG THR 42 1.938 12.531 -10.194 308 HG21 THR 42 3HG2 THR 42 -0.325 14.364 -12.561 309 HG22 THR 42 1HG2 THR 42 -0.216 14.927 -10.894 310 HG23 THR 42 2HG2 THR 42 -1.583 13.935 -11.402 311 H ALA 43 H ALA 43 0.380 10.671 -8.631 312 HA ALA 43 HA ALA 43 0.857 8.103 -9.896 313 HB1 ALA 43 3HB ALA 43 3.193 8.076 -9.727 314 HB2 ALA 43 1HB ALA 43 2.817 9.647 -10.435 315 HB3 ALA 43 2HB ALA 43 3.226 9.526 -8.724 316 H TYR 44 H TYR 44 1.186 6.428 -8.431 317 HA TYR 44 HA TYR 44 0.894 7.164 -5.592 318 HB2 TYR 44 1HB TYR 44 -0.405 4.953 -7.171 319 HB3 TYR 44 2HB TYR 44 -0.285 4.887 -5.416 320 HD1 TYR 44 2HD TYR 44 -1.056 7.228 -4.271 321 HD2 TYR 44 1HD TYR 44 -2.402 5.719 -8.015 322 HE1 TYR 44 2HE TYR 44 -3.099 8.584 -4.077 323 HE2 TYR 44 1HE TYR 44 -4.448 7.071 -7.831 324 HH TYR 44 HH TYR 44 -5.804 8.127 -6.055 325 H ILE 45 H ILE 45 2.581 6.608 -4.402 326 HA ILE 45 HA ILE 45 4.354 4.471 -5.353 327 HB ILE 45 HB ILE 45 4.942 6.460 -3.165 328 HG12 ILE 45 1HG1 ILE 45 6.401 7.457 -5.111 329 HG13 ILE 45 2HG1 ILE 45 5.205 6.679 -6.142 330 HG21 ILE 45 1HG2 ILE 45 7.236 5.838 -3.504 331 HG22 ILE 45 2HG2 ILE 45 6.286 4.374 -3.258 332 HG23 ILE 45 3HG2 ILE 45 6.803 4.826 -4.882 333 HD11 ILE 45 3HD1 ILE 45 4.851 9.126 -5.528 334 HD12 ILE 45 1HD1 ILE 45 3.480 8.031 -5.354 335 HD13 ILE 45 2HD1 ILE 45 4.397 8.529 -3.932 336 H LEU 46 H LEU 46 4.122 2.542 -4.455 337 HA LEU 46 HA LEU 46 3.009 2.355 -1.743 338 HB2 LEU 46 1HB LEU 46 1.670 1.101 -3.178 339 HB3 LEU 46 2HB LEU 46 3.052 0.494 -4.087 340 HG LEU 46 HG LEU 46 3.602 -0.695 -1.795 341 HD11 LEU 46 1HD1 LEU 46 1.314 -1.487 -0.895 342 HD12 LEU 46 2HD1 LEU 46 0.699 0.002 -1.612 343 HD13 LEU 46 3HD1 LEU 46 1.947 0.073 -0.368 344 HD21 LEU 46 3HD2 LEU 46 3.365 -2.137 -3.543 345 HD22 LEU 46 1HD2 LEU 46 1.817 -1.455 -4.043 346 HD23 LEU 46 2HD2 LEU 46 1.896 -2.531 -2.648 347 H PHE 47 H PHE 47 4.002 1.111 -0.159 348 HA PHE 47 HA PHE 47 6.706 0.130 -0.770 349 HB2 PHE 47 1HB PHE 47 5.976 1.615 1.759 350 HB3 PHE 47 2HB PHE 47 7.578 1.075 1.266 351 HD1 PHE 47 1HD PHE 47 4.798 3.147 -0.123 352 HD2 PHE 47 2HD PHE 47 8.988 2.691 0.472 353 HE1 PHE 47 1HE PHE 47 5.185 5.317 -1.215 354 HE2 PHE 47 2HE PHE 47 9.382 4.861 -0.619 355 HZ PHE 47 HZ PHE 47 7.480 6.177 -1.463 356 H TYR 48 H TYR 48 7.197 -1.821 0.053 357 HA TYR 48 HA TYR 48 5.593 -2.915 2.236 358 HB2 TYR 48 1HB TYR 48 5.211 -5.021 1.008 359 HB3 TYR 48 2HB TYR 48 4.430 -3.653 0.223 360 HD1 TYR 48 2HD TYR 48 5.228 -2.826 -1.923 361 HD2 TYR 48 1HD TYR 48 7.094 -6.149 -0.029 362 HE1 TYR 48 2HE TYR 48 6.361 -3.385 -4.033 363 HE2 TYR 48 1HE TYR 48 8.233 -6.716 -2.134 364 HH TYR 48 HH TYR 48 8.100 -4.606 -4.921 365 H THR 49 H THR 49 6.627 -4.487 3.448 366 HA THR 49 HA THR 49 9.117 -5.651 2.649 367 HB THR 49 HB THR 49 9.634 -3.212 3.409 368 HG1 THR 49 1HG THR 49 11.480 -4.349 4.746 369 HG21 THR 49 3HG2 THR 49 9.620 -4.503 6.122 370 HG22 THR 49 1HG2 THR 49 8.242 -3.575 5.533 371 HG23 THR 49 2HG2 THR 49 9.815 -2.799 5.712 372 H LEU 50 H LEU 50 9.979 -7.119 4.258 373 HA LEU 50 HA LEU 50 7.857 -8.209 5.929 374 HB2 LEU 50 1HB LEU 50 9.249 -10.172 6.114 375 HB3 LEU 50 2HB LEU 50 9.091 -9.695 4.425 376 HG LEU 50 HG LEU 50 11.491 -8.823 5.975 377 HD11 LEU 50 1HD1 LEU 50 12.382 -10.849 6.166 378 HD12 LEU 50 2HD1 LEU 50 11.931 -11.280 4.516 379 HD13 LEU 50 3HD1 LEU 50 10.778 -11.501 5.832 380 HD21 LEU 50 3HD2 LEU 50 11.774 -7.924 3.937 381 HD22 LEU 50 1HD2 LEU 50 10.619 -9.021 3.180 382 HD23 LEU 50 2HD2 LEU 50 12.275 -9.553 3.478 383 H ASP 51 H ASP 51 10.672 -6.310 6.233 384 HA ASP 51 HA ASP 51 10.631 -6.694 9.155 385 HB2 ASP 51 1HB ASP 51 12.912 -6.496 7.252 386 HB3 ASP 51 2HB ASP 51 13.100 -5.729 8.826 387 H LYS 52 H LYS 52 9.882 -4.976 10.184 388 HA LYS 52 HA LYS 52 9.717 -2.411 8.857 389 HB2 LYS 52 1HB LYS 52 8.470 -1.706 10.850 390 HB3 LYS 52 2HB LYS 52 7.826 -3.202 10.185 391 HG2 LYS 52 1HG LYS 52 9.097 -4.455 11.904 392 HG3 LYS 52 2HG LYS 52 9.589 -2.914 12.608 393 HD2 LYS 52 1HD LYS 52 7.030 -2.429 12.649 394 HD3 LYS 52 2HD LYS 52 6.882 -4.183 12.519 395 HE2 LYS 52 1HE LYS 52 8.074 -4.515 14.548 396 HE3 LYS 52 2HE LYS 52 8.567 -2.824 14.611 397 HZ1 LYS 52 3HZ LYS 52 6.019 -4.044 15.330 398 HZ2 LYS 52 1HZ LYS 52 5.951 -2.517 14.605 399 HZ3 LYS 52 2HZ LYS 52 6.830 -2.736 16.033 400 H ASN 53 H ASN 53 11.883 -3.992 10.951 401 HA ASN 53 HA ASN 53 12.884 -2.001 12.571 402 HB2 ASN 53 1HB ASN 53 14.298 -4.272 11.172 403 HB3 ASN 53 2HB ASN 53 15.098 -3.230 12.345 404 HD21 ASN 53 1HD2 ASN 53 13.455 -2.902 14.340 405 HD22 ASN 53 2HD2 ASN 53 12.961 -4.401 15.042 406 H ILE 54 H ILE 54 13.450 -2.550 9.148 407 HA ILE 54 HA ILE 54 15.503 -0.547 8.942 408 HB ILE 54 HB ILE 54 15.106 -0.845 6.447 409 HG12 ILE 54 1HG1 ILE 54 13.454 -3.201 7.369 410 HG13 ILE 54 2HG1 ILE 54 12.752 -1.701 6.773 411 HG21 ILE 54 1HG2 ILE 54 15.739 -3.386 7.928 412 HG22 ILE 54 2HG2 ILE 54 16.365 -2.855 6.368 413 HG23 ILE 54 3HG2 ILE 54 16.842 -2.013 7.842 414 HD11 ILE 54 3HD1 ILE 54 14.427 -2.265 4.753 415 HD12 ILE 54 1HD1 ILE 54 14.057 -3.895 5.316 416 HD13 ILE 54 2HD1 ILE 54 12.753 -2.814 4.824 417 HA PRO 55 HA PRO 55 13.071 3.054 8.322 418 HB2 PRO 55 1HB PRO 55 14.576 4.410 6.515 419 HB3 PRO 55 2HB PRO 55 15.044 4.226 8.210 420 HG2 PRO 55 1HG PRO 55 15.970 2.692 5.811 421 HG3 PRO 55 2HG PRO 55 16.918 3.322 7.171 422 HD2 PRO 55 1HD PRO 55 16.171 0.725 6.995 423 HD3 PRO 55 2HD PRO 55 16.342 1.566 8.549 424 H ILE 56 H ILE 56 11.378 3.686 7.101 425 HA ILE 56 HA ILE 56 10.238 2.243 5.133 426 HB ILE 56 HB ILE 56 9.173 4.199 6.206 427 HG12 ILE 56 1HG1 ILE 56 7.971 5.009 4.160 428 HG13 ILE 56 2HG1 ILE 56 9.156 4.151 3.182 429 HG21 ILE 56 1HG2 ILE 56 11.236 5.661 5.792 430 HG22 ILE 56 2HG2 ILE 56 10.555 5.937 4.190 431 HG23 ILE 56 3HG2 ILE 56 9.649 6.412 5.627 432 HD11 ILE 56 3HD1 ILE 56 6.804 3.163 4.535 433 HD12 ILE 56 1HD1 ILE 56 7.777 2.419 3.266 434 HD13 ILE 56 2HD1 ILE 56 8.246 2.240 4.957 435 H ASP 57 H ASP 57 12.947 4.381 4.770 436 HA ASP 57 HA ASP 57 12.836 4.679 1.950 437 HB2 ASP 57 1HB ASP 57 15.078 4.974 3.948 438 HB3 ASP 57 2HB ASP 57 15.294 5.276 2.226 439 H ASP 58 H ASP 58 14.599 2.453 4.077 440 HA ASP 58 HA ASP 58 15.987 1.086 2.047 441 HB2 ASP 58 1HB ASP 58 16.181 1.043 4.699 442 HB3 ASP 58 2HB ASP 58 15.156 -0.377 4.508 443 H TRP 59 H TRP 59 12.719 0.898 3.151 444 HA TRP 59 HA TRP 59 12.017 -1.689 2.405 445 HB2 TRP 59 1HB TRP 59 10.360 0.839 2.288 446 HB3 TRP 59 2HB TRP 59 9.710 -0.793 2.163 447 HD1 TRP 59 HD TRP 59 12.465 -0.154 4.703 448 HE1 TRP 59 1HE TRP 59 11.474 -0.321 7.073 449 HE3 TRP 59 3HE TRP 59 7.506 -0.423 3.492 450 HZ2 TRP 59 2HZ TRP 59 8.928 -0.539 8.270 451 HZ3 TRP 59 3HZ TRP 59 5.857 -0.610 5.309 452 HH2 TRP 59 HH TRP 59 6.555 -0.667 7.647 453 H ILE 60 H ILE 60 10.371 -2.074 0.527 454 HA ILE 60 HA ILE 60 11.776 -1.345 -1.926 455 HB ILE 60 HB ILE 60 9.588 -3.376 -1.464 456 HG12 ILE 60 1HG1 ILE 60 11.713 -4.840 -2.163 457 HG13 ILE 60 2HG1 ILE 60 12.563 -3.482 -1.434 458 HG21 ILE 60 1HG2 ILE 60 9.535 -3.829 -3.670 459 HG22 ILE 60 2HG2 ILE 60 10.116 -2.171 -3.819 460 HG23 ILE 60 3HG2 ILE 60 11.257 -3.514 -3.884 461 HD11 ILE 60 3HD1 ILE 60 10.610 -5.358 -0.149 462 HD12 ILE 60 1HD1 ILE 60 12.299 -5.072 0.269 463 HD13 ILE 60 2HD1 ILE 60 11.088 -3.830 0.590 464 H MET 61 H MET 61 11.112 0.625 -2.603 465 HA MET 61 HA MET 61 8.341 1.415 -2.477 466 HB2 MET 61 1HB MET 61 10.115 3.067 -2.129 467 HB3 MET 61 2HB MET 61 10.723 2.771 -3.752 468 HG2 MET 61 1HG MET 61 8.150 3.398 -4.288 469 HG3 MET 61 2HG MET 61 8.439 4.375 -2.850 470 HE1 MET 61 3HE MET 61 9.463 3.955 -6.753 471 HE2 MET 61 1HE MET 61 11.108 4.569 -6.587 472 HE3 MET 61 2HE MET 61 10.617 3.118 -5.714 473 H GLU 62 H GLU 62 6.875 1.441 -4.100 474 HA GLU 62 HA GLU 62 7.776 0.603 -6.773 475 HB2 GLU 62 1HB GLU 62 5.675 -0.578 -5.032 476 HB3 GLU 62 2HB GLU 62 5.330 -0.476 -6.753 477 HG2 GLU 62 1HG GLU 62 7.501 -1.999 -5.364 478 HG3 GLU 62 2HG GLU 62 6.249 -2.597 -6.452 479 H THR 63 H THR 63 7.161 1.929 -8.344 480 HA THR 63 HA THR 63 5.371 4.122 -7.750 481 HB THR 63 HB THR 63 6.827 3.467 -10.319 482 HG1 THR 63 1HG THR 63 7.484 5.404 -8.337 483 HG21 THR 63 3HG2 THR 63 5.783 5.198 -11.255 484 HG22 THR 63 1HG2 THR 63 6.224 6.247 -9.908 485 HG23 THR 63 2HG2 THR 63 4.744 5.290 -9.833 486 H ILE 64 H ILE 64 3.338 4.413 -8.496 487 HA ILE 64 HA ILE 64 2.261 2.439 -10.391 488 HB ILE 64 HB ILE 64 0.681 3.438 -8.029 489 HG12 ILE 64 1HG1 ILE 64 1.755 0.654 -8.119 490 HG13 ILE 64 2HG1 ILE 64 2.837 1.946 -7.609 491 HG21 ILE 64 1HG2 ILE 64 -0.454 1.126 -8.692 492 HG22 ILE 64 2HG2 ILE 64 -0.888 2.647 -9.470 493 HG23 ILE 64 3HG2 ILE 64 0.234 1.541 -10.262 494 HD11 ILE 64 3HD1 ILE 64 1.729 2.290 -5.664 495 HD12 ILE 64 1HD1 ILE 64 0.168 1.824 -6.338 496 HD13 ILE 64 2HD1 ILE 64 1.346 0.585 -5.902 497 H SER 65 H SER 65 0.544 3.155 -11.695 498 HA SER 65 HA SER 65 0.677 5.856 -12.486 499 HB2 SER 65 1HB SER 65 -1.002 3.505 -13.212 500 HB3 SER 65 2HB SER 65 -1.597 5.102 -13.669 501 HG SER 65 HG SER 65 0.667 3.718 -14.545 502 H GLY 66 H GLY 66 -0.384 7.618 -11.830 503 HA2 GLY 66 1HA GLY 66 -1.810 7.761 -9.468 504 HA3 GLY 66 2HA GLY 66 -1.896 8.965 -10.745 505 H ASP 67 H ASP 67 -2.959 6.898 -12.632 506 HA ASP 67 HA ASP 67 -5.726 7.363 -12.112 507 HB2 ASP 67 1HB ASP 67 -6.132 6.463 -14.225 508 HB3 ASP 67 2HB ASP 67 -4.504 7.115 -14.391 509 H ARG 68 H ARG 68 -3.621 4.521 -11.965 510 HA ARG 68 HA ARG 68 -5.725 2.729 -11.232 511 HB2 ARG 68 1HB ARG 68 -2.725 2.436 -10.995 512 HB3 ARG 68 2HB ARG 68 -3.890 1.139 -10.762 513 HG2 ARG 68 1HG ARG 68 -4.661 1.646 -13.144 514 HG3 ARG 68 2HG ARG 68 -3.166 2.573 -13.290 515 HD2 ARG 68 1HD ARG 68 -2.412 0.557 -14.029 516 HD3 ARG 68 2HD ARG 68 -2.130 0.343 -12.302 517 HE ARG 68 HE ARG 68 -4.598 -0.639 -12.562 518 HH11 ARG 68 1HH1 ARG 68 -1.714 -1.165 -14.439 519 HH12 ARG 68 2HH1 ARG 68 -2.145 -2.782 -14.889 520 HH21 ARG 68 1HH2 ARG 68 -5.177 -2.767 -13.148 521 HH22 ARG 68 2HH2 ARG 68 -4.115 -3.691 -14.155 522 H LEU 69 H LEU 69 -6.031 1.709 -9.201 523 HA LEU 69 HA LEU 69 -4.965 3.216 -6.906 524 HB2 LEU 69 1HB LEU 69 -7.760 2.230 -7.406 525 HB3 LEU 69 2HB LEU 69 -7.182 2.660 -5.797 526 HG LEU 69 HG LEU 69 -7.381 4.525 -8.162 527 HD11 LEU 69 1HD1 LEU 69 -8.972 4.598 -5.615 528 HD12 LEU 69 2HD1 LEU 69 -9.529 3.753 -7.058 529 HD13 LEU 69 3HD1 LEU 69 -9.249 5.493 -7.109 530 HD21 LEU 69 3HD2 LEU 69 -7.052 6.164 -6.117 531 HD22 LEU 69 1HD2 LEU 69 -5.677 5.480 -6.983 532 HD23 LEU 69 2HD2 LEU 69 -6.191 4.776 -5.450 533 H THR 70 H THR 70 -4.357 0.556 -8.306 534 HA THR 70 HA THR 70 -4.189 -1.001 -5.830 535 HB THR 70 HB THR 70 -5.047 -2.975 -6.715 536 HG1 THR 70 1HG THR 70 -5.501 -3.094 -9.064 537 HG21 THR 70 3HG2 THR 70 -7.238 -2.444 -7.647 538 HG22 THR 70 1HG2 THR 70 -6.693 -0.812 -8.034 539 HG23 THR 70 2HG2 THR 70 -6.830 -1.321 -6.350 540 H HIS 71 H HIS 71 -2.589 -2.750 -5.951 541 HA HIS 71 HA HIS 71 -0.647 -2.574 -8.112 542 HB2 HIS 71 1HB HIS 71 0.223 -0.882 -6.664 543 HB3 HIS 71 2HB HIS 71 -0.007 -1.892 -5.241 544 HD1 HIS 71 1HD HIS 71 2.262 -1.418 -8.185 545 HD2 HIS 71 2HD HIS 71 2.018 -3.741 -4.749 546 HE1 HIS 71 1HE HIS 71 4.506 -2.532 -7.965 547 HE2 HIS 71 2HE HIS 71 4.306 -3.998 -5.927 548 H GLN 72 H GLN 72 0.065 -4.540 -8.614 549 HA GLN 72 HA GLN 72 -0.425 -6.721 -6.719 550 HB2 GLN 72 1HB GLN 72 -1.338 -6.760 -9.101 551 HB3 GLN 72 2HB GLN 72 0.323 -7.002 -9.625 552 HG2 GLN 72 1HG GLN 72 0.365 -9.009 -8.078 553 HG3 GLN 72 2HG GLN 72 -1.383 -8.821 -7.959 554 HE21 GLN 72 1HE2 GLN 72 -2.337 -8.400 -10.302 555 HE22 GLN 72 2HE2 GLN 72 -1.872 -9.594 -11.461 556 H ILE 73 H ILE 73 1.176 -7.939 -5.881 557 HA ILE 73 HA ILE 73 3.929 -7.279 -6.701 558 HB ILE 73 HB ILE 73 2.970 -8.222 -3.996 559 HG12 ILE 73 1HG1 ILE 73 4.235 -5.561 -4.561 560 HG13 ILE 73 2HG1 ILE 73 2.510 -5.789 -4.831 561 HG21 ILE 73 1HG2 ILE 73 5.696 -7.629 -5.098 562 HG22 ILE 73 2HG2 ILE 73 5.357 -7.555 -3.370 563 HG23 ILE 73 3HG2 ILE 73 5.137 -9.069 -4.247 564 HD11 ILE 73 3HD1 ILE 73 3.095 -4.820 -2.621 565 HD12 ILE 73 1HD1 ILE 73 2.153 -6.308 -2.532 566 HD13 ILE 73 2HD1 ILE 73 3.888 -6.343 -2.218 567 H MET 74 H MET 74 5.452 -8.941 -6.859 568 HA MET 74 HA MET 74 4.402 -11.684 -6.733 569 HB2 MET 74 1HB MET 74 6.012 -10.482 -8.991 570 HB3 MET 74 2HB MET 74 5.672 -12.199 -8.818 571 HG2 MET 74 1HG MET 74 3.184 -11.361 -8.730 572 HG3 MET 74 2HG MET 74 3.861 -9.970 -9.574 573 HE1 MET 74 3HE MET 74 4.352 -10.885 -13.005 574 HE2 MET 74 1HE MET 74 4.620 -9.782 -11.654 575 HE3 MET 74 2HE MET 74 5.822 -11.014 -12.038 576 H ASP 75 H ASP 75 6.007 -13.327 -6.446 577 HA ASP 75 HA ASP 75 7.947 -14.231 -5.649 578 HB2 ASP 75 1HB ASP 75 8.989 -12.534 -7.283 579 HB3 ASP 75 2HB ASP 75 9.278 -11.538 -5.859 580 H LEU 76 H LEU 76 6.097 -13.625 -3.836 581 HA LEU 76 HA LEU 76 7.431 -12.148 -1.681 582 HB2 LEU 76 1HB LEU 76 4.591 -12.970 -2.171 583 HB3 LEU 76 2HB LEU 76 5.136 -12.495 -0.564 584 HG LEU 76 HG LEU 76 5.211 -10.758 -3.030 585 HD11 LEU 76 1HD1 LEU 76 3.320 -9.676 -2.264 586 HD12 LEU 76 2HD1 LEU 76 3.511 -10.280 -0.619 587 HD13 LEU 76 3HD1 LEU 76 2.958 -11.363 -1.897 588 HD21 LEU 76 3HD2 LEU 76 6.380 -10.520 -0.344 589 HD22 LEU 76 1HD2 LEU 76 5.489 -9.105 -0.904 590 HD23 LEU 76 2HD2 LEU 76 6.833 -9.734 -1.857 591 H ASN 77 H ASN 77 7.566 -13.051 0.436 592 HA ASN 77 HA ASN 77 8.404 -15.750 0.474 593 HB2 ASN 77 1HB ASN 77 8.061 -13.594 2.502 594 HB3 ASN 77 2HB ASN 77 8.191 -15.251 3.084 595 HD21 ASN 77 1HD2 ASN 77 10.075 -13.449 3.791 596 HD22 ASN 77 2HD2 ASN 77 11.566 -13.793 2.990 597 H LEU 78 H LEU 78 7.547 -17.420 1.960 598 HA LEU 78 HA LEU 78 4.610 -17.457 1.841 599 HB2 LEU 78 1HB LEU 78 6.692 -19.612 1.797 600 HB3 LEU 78 2HB LEU 78 5.022 -19.974 2.229 601 HG LEU 78 HG LEU 78 5.441 -20.508 -0.099 602 HD11 LEU 78 1HD1 LEU 78 3.327 -19.945 -0.439 603 HD12 LEU 78 2HD1 LEU 78 3.827 -18.294 -0.800 604 HD13 LEU 78 3HD1 LEU 78 3.418 -18.749 0.854 605 HD21 LEU 78 3HD2 LEU 78 6.216 -17.605 -0.346 606 HD22 LEU 78 1HD2 LEU 78 5.938 -18.691 -1.708 607 HD23 LEU 78 2HD2 LEU 78 7.259 -19.008 -0.583 608 H ASP 79 H ASP 79 3.387 -18.048 3.622 609 HA ASP 79 HA ASP 79 2.830 -17.972 5.834 610 HB2 ASP 79 1HB ASP 79 3.900 -19.611 7.222 611 HB3 ASP 79 2HB ASP 79 3.824 -20.265 5.588 612 H THR 80 H THR 80 4.504 -15.810 4.863 613 HA THR 80 HA THR 80 5.792 -15.050 7.403 614 HB THR 80 HB THR 80 6.699 -14.228 4.637 615 HG1 THR 80 1HG THR 80 7.121 -16.488 5.567 616 HG21 THR 80 3HG2 THR 80 7.401 -13.363 7.378 617 HG22 THR 80 1HG2 THR 80 7.467 -12.474 5.856 618 HG23 THR 80 2HG2 THR 80 8.746 -13.617 6.266 619 H MET 81 H MET 81 5.553 -12.915 8.081 620 HA MET 81 HA MET 81 3.173 -11.606 7.115 621 HB2 MET 81 1HB MET 81 3.911 -11.812 9.558 622 HB3 MET 81 2HB MET 81 5.067 -10.536 9.199 623 HG2 MET 81 1HG MET 81 2.990 -9.717 10.242 624 HG3 MET 81 2HG MET 81 3.306 -9.008 8.660 625 HE1 MET 81 3HE MET 81 -0.251 -11.198 10.152 626 HE2 MET 81 1HE MET 81 1.054 -12.371 9.971 627 HE3 MET 81 2HE MET 81 1.299 -10.923 10.948 628 H TYR 82 H TYR 82 3.025 -9.628 6.110 629 HA TYR 82 HA TYR 82 5.531 -8.303 5.344 630 HB2 TYR 82 1HB TYR 82 3.462 -9.471 3.550 631 HB3 TYR 82 2HB TYR 82 4.178 -7.936 3.072 632 HD1 TYR 82 1HD TYR 82 6.840 -7.895 3.251 633 HD2 TYR 82 2HD TYR 82 4.475 -11.403 2.803 634 HE1 TYR 82 1HE TYR 82 8.787 -9.083 2.332 635 HE2 TYR 82 2HE TYR 82 6.417 -12.601 1.884 636 HH TYR 82 HH TYR 82 9.474 -10.946 1.268 637 H TYR 83 H TYR 83 5.443 -6.261 5.969 638 HA TYR 83 HA TYR 83 2.943 -5.002 6.636 639 HB2 TYR 83 1HB TYR 83 5.681 -3.729 6.567 640 HB3 TYR 83 2HB TYR 83 4.270 -3.182 7.465 641 HD1 TYR 83 1HD TYR 83 3.374 -5.819 8.586 642 HD2 TYR 83 2HD TYR 83 7.240 -4.066 8.295 643 HE1 TYR 83 1HE TYR 83 4.106 -7.125 10.538 644 HE2 TYR 83 2HE TYR 83 7.983 -5.368 10.245 645 HH TYR 83 HH TYR 83 7.370 -7.425 11.428 646 H PHE 84 H PHE 84 1.872 -3.433 5.547 647 HA PHE 84 HA PHE 84 2.936 -2.697 2.901 648 HB2 PHE 84 1HB PHE 84 0.109 -3.151 3.843 649 HB3 PHE 84 2HB PHE 84 0.469 -2.287 2.352 650 HD1 PHE 84 1HD PHE 84 1.380 -3.442 0.431 651 HD2 PHE 84 2HD PHE 84 0.485 -5.526 4.033 652 HE1 PHE 84 1HE PHE 84 1.537 -5.583 -0.772 653 HE2 PHE 84 2HE PHE 84 0.641 -7.670 2.836 654 HZ PHE 84 HZ PHE 84 1.168 -7.700 0.430 655 H ARG 85 H ARG 85 3.044 -0.585 2.331 656 HA ARG 85 HA ARG 85 1.701 1.445 3.909 657 HB2 ARG 85 1HB ARG 85 4.654 0.990 3.971 658 HB3 ARG 85 2HB ARG 85 4.052 2.642 4.025 659 HG2 ARG 85 1HG ARG 85 2.676 2.024 5.992 660 HG3 ARG 85 2HG ARG 85 3.430 0.429 5.966 661 HD2 ARG 85 1HD ARG 85 5.444 1.217 6.700 662 HD3 ARG 85 2HD ARG 85 5.209 2.806 5.971 663 HE ARG 85 HE ARG 85 3.381 2.843 7.913 664 HH11 ARG 85 1HH1 ARG 85 6.725 1.875 7.939 665 HH12 ARG 85 2HH1 ARG 85 6.976 2.320 9.595 666 HH21 ARG 85 1HH2 ARG 85 3.699 3.433 10.093 667 HH22 ARG 85 2HH2 ARG 85 5.254 3.205 10.819 668 H ILE 86 H ILE 86 0.714 2.489 2.298 669 HA ILE 86 HA ILE 86 2.321 3.251 -0.053 670 HB ILE 86 HB ILE 86 0.488 1.730 -0.635 671 HG12 ILE 86 1HG1 ILE 86 -0.095 4.547 -1.570 672 HG13 ILE 86 2HG1 ILE 86 1.218 3.551 -2.187 673 HG21 ILE 86 1HG2 ILE 86 -0.984 3.440 1.163 674 HG22 ILE 86 2HG2 ILE 86 -1.804 3.291 -0.390 675 HG23 ILE 86 3HG2 ILE 86 -1.399 1.845 0.536 676 HD11 ILE 86 3HD1 ILE 86 -0.807 1.869 -2.594 677 HD12 ILE 86 1HD1 ILE 86 -1.683 3.396 -2.694 678 HD13 ILE 86 2HD1 ILE 86 -0.319 3.089 -3.769 679 H GLN 87 H GLN 87 1.677 5.301 -1.085 680 HA GLN 87 HA GLN 87 0.354 7.217 0.675 681 HB2 GLN 87 1HB GLN 87 2.221 8.851 0.332 682 HB3 GLN 87 2HB GLN 87 2.637 7.475 1.345 683 HG2 GLN 87 1HG GLN 87 3.586 6.426 -0.780 684 HG3 GLN 87 2HG GLN 87 3.471 8.042 -1.475 685 HE21 GLN 87 1HE2 GLN 87 4.052 9.391 1.011 686 HE22 GLN 87 2HE2 GLN 87 5.740 9.173 1.309 687 H ALA 88 H ALA 88 0.656 9.518 -0.606 688 HA ALA 88 HA ALA 88 -0.187 8.970 -3.378 689 HB1 ALA 88 3HB ALA 88 -1.803 10.737 -3.232 690 HB2 ALA 88 1HB ALA 88 -2.061 9.627 -1.885 691 HB3 ALA 88 2HB ALA 88 -1.250 11.170 -1.614 692 H ARG 89 H ARG 89 0.648 10.229 -4.974 693 HA ARG 89 HA ARG 89 2.344 12.498 -4.199 694 HB2 ARG 89 1HB ARG 89 3.921 10.752 -4.529 695 HB3 ARG 89 2HB ARG 89 3.095 10.181 -5.972 696 HG2 ARG 89 1HG ARG 89 3.725 12.273 -7.120 697 HG3 ARG 89 2HG ARG 89 4.625 12.757 -5.682 698 HD2 ARG 89 1HD ARG 89 6.129 10.917 -5.918 699 HD3 ARG 89 2HD ARG 89 5.140 10.202 -7.190 700 HE ARG 89 HE ARG 89 6.067 11.666 -8.706 701 HH11 ARG 89 1HH1 ARG 89 6.937 12.603 -5.468 702 HH12 ARG 89 2HH1 ARG 89 8.115 13.765 -5.981 703 HH21 ARG 89 1HH2 ARG 89 7.615 13.193 -9.394 704 HH22 ARG 89 2HH2 ARG 89 8.499 14.101 -8.214 705 H ASN 90 H ASN 90 1.857 14.274 -5.300 706 HA ASN 90 HA ASN 90 0.444 13.982 -7.869 707 HB2 ASN 90 1HB ASN 90 -0.483 16.273 -7.360 708 HB3 ASN 90 2HB ASN 90 -1.031 14.993 -6.281 709 HD21 ASN 90 1HD2 ASN 90 -1.551 16.574 -4.730 710 HD22 ASN 90 2HD2 ASN 90 -0.325 17.317 -3.764 711 H SER 91 H SER 91 0.695 15.995 -9.284 712 HA SER 91 HA SER 91 3.155 16.229 -10.335 713 HB2 SER 91 1HB SER 91 1.093 17.311 -11.238 714 HB3 SER 91 2HB SER 91 1.286 18.593 -10.043 715 HG SER 91 HG SER 91 2.232 19.251 -11.960 716 H LYS 92 H LYS 92 2.026 17.842 -7.443 717 HA LYS 92 HA LYS 92 4.262 19.600 -7.188 718 HB2 LYS 92 1HB LYS 92 2.372 18.658 -5.025 719 HB3 LYS 92 2HB LYS 92 3.396 20.087 -4.979 720 HG2 LYS 92 1HG LYS 92 2.042 21.275 -6.394 721 HG3 LYS 92 2HG LYS 92 1.393 19.826 -7.165 722 HD2 LYS 92 1HD LYS 92 0.075 19.328 -5.195 723 HD3 LYS 92 2HD LYS 92 0.790 20.696 -4.339 724 HE2 LYS 92 1HE LYS 92 -0.134 22.071 -6.356 725 HE3 LYS 92 2HE LYS 92 -1.193 20.678 -6.575 726 HZ1 LYS 92 3HZ LYS 92 -1.968 20.956 -4.303 727 HZ2 LYS 92 1HZ LYS 92 -2.230 22.368 -5.199 728 HZ3 LYS 92 2HZ LYS 92 -0.952 22.293 -4.093 729 H GLY 93 H GLY 93 3.300 16.931 -5.022 730 HA2 GLY 93 1HA GLY 93 5.896 15.715 -5.136 731 HA3 GLY 93 2HA GLY 93 5.650 16.627 -3.654 732 H VAL 94 H VAL 94 5.851 14.658 -2.476 733 HA VAL 94 HA VAL 94 3.418 12.995 -2.592 734 HB VAL 94 HB VAL 94 5.418 11.750 -3.354 735 HG11 VAL 94 1HG1 VAL 94 6.863 13.112 -1.617 736 HG12 VAL 94 2HG1 VAL 94 6.501 11.728 -0.583 737 HG13 VAL 94 3HG1 VAL 94 7.327 11.488 -2.124 738 HG21 VAL 94 3HG2 VAL 94 5.110 9.809 -1.884 739 HG22 VAL 94 1HG2 VAL 94 4.279 10.835 -0.714 740 HG23 VAL 94 2HG2 VAL 94 3.571 10.560 -2.306 741 H GLY 95 H GLY 95 2.536 12.304 -0.627 742 HA2 GLY 95 1HA GLY 95 3.386 13.924 1.678 743 HA3 GLY 95 2HA GLY 95 1.782 13.245 1.446 744 HA PRO 96 HA PRO 96 3.966 10.546 4.480 745 HB2 PRO 96 1HB PRO 96 1.798 10.219 6.081 746 HB3 PRO 96 2HB PRO 96 2.901 11.592 6.227 747 HG2 PRO 96 1HG PRO 96 0.238 11.438 4.868 748 HG3 PRO 96 2HG PRO 96 0.893 12.718 5.906 749 HD2 PRO 96 1HD PRO 96 0.866 12.904 3.205 750 HD3 PRO 96 2HD PRO 96 2.140 13.638 4.200 751 H LEU 97 H LEU 97 3.096 8.375 5.381 752 HA LEU 97 HA LEU 97 1.624 7.014 3.222 753 HB2 LEU 97 1HB LEU 97 3.533 5.672 5.108 754 HB3 LEU 97 2HB LEU 97 2.917 5.081 3.567 755 HG LEU 97 HG LEU 97 4.244 7.223 2.683 756 HD11 LEU 97 1HD1 LEU 97 4.999 7.970 4.847 757 HD12 LEU 97 2HD1 LEU 97 6.379 7.399 3.910 758 HD13 LEU 97 3HD1 LEU 97 5.702 6.388 5.186 759 HD21 LEU 97 3HD2 LEU 97 6.029 5.736 2.073 760 HD22 LEU 97 1HD2 LEU 97 4.506 4.849 2.004 761 HD23 LEU 97 2HD2 LEU 97 5.599 4.618 3.368 762 H SER 98 H SER 98 0.563 4.934 3.986 763 HA SER 98 HA SER 98 -1.109 5.585 6.259 764 HB2 SER 98 1HB SER 98 -1.770 4.494 3.935 765 HB3 SER 98 2HB SER 98 -1.372 3.000 4.784 766 HG SER 98 HG SER 98 -2.946 3.435 6.276 767 H ASP 99 H ASP 99 -1.723 3.694 7.738 768 HA ASP 99 HA ASP 99 0.567 2.932 9.200 769 HB2 ASP 99 1HB ASP 99 -0.949 1.742 10.651 770 HB3 ASP 99 2HB ASP 99 -1.712 3.255 10.170 771 HA PRO 100 HA PRO 100 1.839 -0.783 7.226 772 HB2 PRO 100 1HB PRO 100 2.993 -2.052 9.330 773 HB3 PRO 100 2HB PRO 100 3.728 -0.659 8.527 774 HG2 PRO 100 1HG PRO 100 2.145 -0.765 11.066 775 HG3 PRO 100 2HG PRO 100 3.631 0.135 10.711 776 HD2 PRO 100 1HD PRO 100 1.185 1.297 10.697 777 HD3 PRO 100 2HD PRO 100 2.498 1.823 9.623 778 H ILE 101 H ILE 101 0.266 -2.145 6.595 779 HA ILE 101 HA ILE 101 -1.503 -3.395 8.515 780 HB ILE 101 HB ILE 101 -1.329 -3.766 5.523 781 HG12 ILE 101 1HG1 ILE 101 -3.122 -2.032 7.234 782 HG13 ILE 101 2HG1 ILE 101 -1.921 -1.481 6.072 783 HG21 ILE 101 1HG2 ILE 101 -3.745 -4.566 5.932 784 HG22 ILE 101 2HG2 ILE 101 -2.418 -5.666 6.301 785 HG23 ILE 101 3HG2 ILE 101 -3.224 -4.791 7.602 786 HD11 ILE 101 3HD1 ILE 101 -3.793 -1.245 4.820 787 HD12 ILE 101 1HD1 ILE 101 -3.401 -2.917 4.419 788 HD13 ILE 101 2HD1 ILE 101 -4.638 -2.565 5.627 789 H LEU 102 H LEU 102 -1.422 -5.449 9.230 790 HA LEU 102 HA LEU 102 0.925 -7.026 8.511 791 HB2 LEU 102 1HB LEU 102 -0.964 -6.950 10.800 792 HB3 LEU 102 2HB LEU 102 -0.184 -8.487 10.432 793 HG LEU 102 HG LEU 102 2.023 -7.262 10.605 794 HD11 LEU 102 1HD1 LEU 102 0.538 -5.195 12.167 795 HD12 LEU 102 2HD1 LEU 102 0.759 -4.999 10.429 796 HD13 LEU 102 3HD1 LEU 102 2.164 -5.136 11.486 797 HD21 LEU 102 3HD2 LEU 102 0.198 -7.578 12.977 798 HD22 LEU 102 1HD2 LEU 102 1.917 -7.213 13.124 799 HD23 LEU 102 2HD2 LEU 102 1.398 -8.718 12.365 800 H PHE 103 H PHE 103 0.536 -8.090 6.639 801 HA PHE 103 HA PHE 103 -1.819 -9.861 6.583 802 HB2 PHE 103 1HB PHE 103 -2.171 -8.205 4.899 803 HB3 PHE 103 2HB PHE 103 -0.512 -8.342 4.326 804 HD1 PHE 103 1HD PHE 103 -3.835 -9.864 4.319 805 HD2 PHE 103 2HD PHE 103 0.165 -10.160 2.893 806 HE1 PHE 103 1HE PHE 103 -4.555 -11.526 2.653 807 HE2 PHE 103 2HE PHE 103 -0.549 -11.821 1.225 808 HZ PHE 103 HZ PHE 103 -2.912 -12.506 1.103 809 H ARG 104 H ARG 104 -1.109 -11.848 7.015 810 HA ARG 104 HA ARG 104 1.542 -12.700 6.222 811 HB2 ARG 104 1HB ARG 104 0.194 -13.281 8.406 812 HB3 ARG 104 2HB ARG 104 -0.486 -14.554 7.401 813 HG2 ARG 104 1HG ARG 104 1.491 -15.693 7.259 814 HG3 ARG 104 2HG ARG 104 2.469 -14.243 7.493 815 HD2 ARG 104 1HD ARG 104 0.727 -15.120 9.732 816 HD3 ARG 104 2HD ARG 104 2.171 -16.073 9.393 817 HE ARG 104 HE ARG 104 2.682 -13.255 9.566 818 HH11 ARG 104 1HH1 ARG 104 2.326 -16.206 11.379 819 HH12 ARG 104 2HH1 ARG 104 3.280 -15.653 12.715 820 HH21 ARG 104 1HH2 ARG 104 3.941 -12.516 11.319 821 HH22 ARG 104 2HH2 ARG 104 4.198 -13.554 12.681 822 H THR 105 H THR 105 1.989 -13.631 4.347 823 HA THR 105 HA THR 105 0.134 -14.151 2.343 824 HB THR 105 HB THR 105 1.919 -15.392 1.190 825 HG1 THR 105 1HG THR 105 3.581 -14.957 3.440 826 HG21 THR 105 3HG2 THR 105 1.954 -12.958 1.102 827 HG22 THR 105 1HG2 THR 105 3.598 -13.592 1.144 828 HG23 THR 105 2HG2 THR 105 2.882 -12.901 2.601 829 H LEU 106 H LEU 106 -0.054 -16.381 1.250 830 HA LEU 106 HA LEU 106 -1.417 -18.109 3.052 831 HB2 LEU 106 1HB LEU 106 -0.851 -18.037 0.151 832 HB3 LEU 106 2HB LEU 106 -1.207 -19.617 0.845 833 HG LEU 106 HG LEU 106 -3.010 -17.201 0.981 834 HD11 LEU 106 1HD1 LEU 106 -4.413 -18.893 -0.461 835 HD12 LEU 106 2HD1 LEU 106 -2.816 -19.505 -0.891 836 HD13 LEU 106 3HD1 LEU 106 -3.229 -17.821 -1.209 837 HD21 LEU 106 3HD2 LEU 106 -2.923 -19.574 2.537 838 HD22 LEU 106 1HD2 LEU 106 -4.334 -19.660 1.482 839 HD23 LEU 106 2HD2 LEU 106 -4.125 -18.282 2.563 840 H LYS 107 H LYS 107 -0.930 -20.619 2.657 841 HA LYS 107 HA LYS 107 1.910 -20.995 3.346 842 HB2 LYS 107 1HB LYS 107 -0.505 -22.594 4.214 843 HB3 LYS 107 2HB LYS 107 1.161 -22.996 4.611 844 HG2 LYS 107 1HG LYS 107 0.418 -21.918 6.514 845 HG3 LYS 107 2HG LYS 107 1.250 -20.632 5.637 846 HD2 LYS 107 1HD LYS 107 -0.757 -19.635 4.965 847 HD3 LYS 107 2HD LYS 107 -1.698 -21.087 5.310 848 HE2 LYS 107 1HE LYS 107 -2.234 -19.700 7.086 849 HE3 LYS 107 2HE LYS 107 -0.947 -20.702 7.755 850 HZ1 LYS 107 3HZ LYS 107 0.395 -18.615 6.672 851 HZ2 LYS 107 1HZ LYS 107 -0.008 -18.773 8.308 852 HZ3 LYS 107 2HZ LYS 107 -0.998 -17.870 7.276 853 H VAL 108 H VAL 108 2.895 -21.660 1.530 854 HA VAL 108 HA VAL 108 1.923 -24.130 0.298 855 HB VAL 108 HB VAL 108 2.700 -21.682 -1.295 856 HG11 VAL 108 1HG1 VAL 108 3.514 -23.544 -2.484 857 HG12 VAL 108 2HG1 VAL 108 2.087 -24.511 -2.106 858 HG13 VAL 108 3HG1 VAL 108 1.964 -23.156 -3.228 859 HG21 VAL 108 3HG2 VAL 108 0.345 -21.940 -0.173 860 HG22 VAL 108 1HG2 VAL 108 0.486 -21.381 -1.840 861 HG23 VAL 108 2HG2 VAL 108 0.062 -23.060 -1.505 862 H SER 109 H SER 109 3.511 -25.534 -0.194 863 HA SER 109 HA SER 109 6.288 -24.562 -0.013 864 HB2 SER 109 1HB SER 109 6.847 -26.860 0.843 865 HB3 SER 109 2HB SER 109 5.830 -25.911 1.927 866 HG SER 109 HG SER 109 4.826 -27.832 1.831 867 H GLY 110 H GLY 110 4.393 -27.328 -1.244 868 HA2 GLY 110 1HA GLY 110 6.335 -27.696 -3.389 869 HA3 GLY 110 2HA GLY 110 4.993 -28.764 -3.004 870 HA PRO 111 HA PRO 111 4.084 -25.708 -6.582 871 HB2 PRO 111 1HB PRO 111 4.666 -27.297 -8.704 872 HB3 PRO 111 2HB PRO 111 5.846 -26.204 -7.970 873 HG2 PRO 111 1HG PRO 111 5.494 -29.151 -7.579 874 HG3 PRO 111 2HG PRO 111 6.990 -28.220 -7.783 875 HD2 PRO 111 1HD PRO 111 6.112 -29.054 -5.361 876 HD3 PRO 111 2HD PRO 111 7.017 -27.542 -5.580 877 H SER 112 H SER 112 2.308 -25.934 -8.075 878 HA SER 112 HA SER 112 0.324 -27.784 -7.132 879 HB2 SER 112 1HB SER 112 -0.461 -25.602 -7.681 880 HB3 SER 112 2HB SER 112 0.307 -25.649 -9.268 881 HG SER 112 HG SER 112 -1.768 -27.407 -8.464 882 H SER 113 H SER 113 -0.918 -29.199 -8.539 883 HA SER 113 HA SER 113 0.701 -30.294 -10.746 884 HB2 SER 113 1HB SER 113 -0.685 -31.653 -8.479 885 HB3 SER 113 2HB SER 113 -0.640 -32.477 -10.038 886 HG SER 113 HG SER 113 1.161 -32.929 -8.597 887 H GLY 114 H GLY 114 -0.450 -31.240 -12.505 888 HA2 GLY 114 1HA GLY 114 -3.331 -30.741 -12.620 889 HA3 GLY 114 2HA GLY 114 -2.320 -29.910 -13.792 Start of MODEL 6 1 H1 GLY 1 H GLY 1 12.336 33.108 -5.346 2 HA2 GLY 1 1HA GLY 1 12.675 30.229 -5.747 3 HA3 GLY 1 2HA GLY 1 11.533 30.745 -4.515 4 H SER 2 H SER 2 9.833 32.309 -5.276 5 HA SER 2 HA SER 2 8.043 32.760 -6.606 6 HB2 SER 2 1HB SER 2 9.724 33.795 -8.072 7 HB3 SER 2 2HB SER 2 10.009 32.239 -8.851 8 HG SER 2 HG SER 2 8.561 33.227 -10.141 9 H SER 3 H SER 3 8.284 30.149 -5.611 10 HA SER 3 HA SER 3 6.525 28.767 -7.426 11 HB2 SER 3 1HB SER 3 7.836 26.864 -7.876 12 HB3 SER 3 2HB SER 3 8.945 28.211 -8.129 13 HG SER 3 HG SER 3 8.926 26.265 -6.152 14 H GLY 4 H GLY 4 5.396 27.045 -6.441 15 HA2 GLY 4 1HA GLY 4 5.959 26.521 -3.615 16 HA3 GLY 4 2HA GLY 4 4.394 27.211 -4.020 17 H SER 5 H SER 5 6.463 24.399 -4.335 18 HA SER 5 HA SER 5 4.263 22.841 -5.467 19 HB2 SER 5 1HB SER 5 5.976 21.047 -5.701 20 HB3 SER 5 2HB SER 5 6.426 22.537 -6.530 21 HG SER 5 HG SER 5 8.213 22.169 -5.429 22 H SER 6 H SER 6 2.849 22.436 -3.833 23 HA SER 6 HA SER 6 3.916 21.065 -1.452 24 HB2 SER 6 1HB SER 6 1.577 21.791 -0.504 25 HB3 SER 6 2HB SER 6 2.898 22.957 -0.569 26 HG SER 6 HG SER 6 2.003 23.840 -2.410 27 H GLY 7 H GLY 7 3.652 18.940 -1.656 28 HA2 GLY 7 1HA GLY 7 1.597 17.798 -3.309 29 HA3 GLY 7 2HA GLY 7 2.756 16.916 -2.325 30 HA PRO 8 HA PRO 8 -1.444 16.433 -0.419 31 HB2 PRO 8 1HB PRO 8 -1.236 13.749 -0.067 32 HB3 PRO 8 2HB PRO 8 -1.826 14.479 -1.565 33 HG2 PRO 8 1HG PRO 8 0.898 13.416 -0.920 34 HG3 PRO 8 2HG PRO 8 -0.061 13.213 -2.398 35 HD2 PRO 8 1HD PRO 8 1.957 15.007 -2.206 36 HD3 PRO 8 2HD PRO 8 0.521 15.289 -3.211 37 H THR 9 H THR 9 -1.873 16.265 1.748 38 HA THR 9 HA THR 9 0.456 15.838 3.495 39 HB THR 9 HB THR 9 -0.933 17.086 5.211 40 HG1 THR 9 1HG THR 9 -2.518 18.516 3.962 41 HG21 THR 9 3HG2 THR 9 -0.433 18.795 2.797 42 HG22 THR 9 1HG2 THR 9 0.904 18.036 3.660 43 HG23 THR 9 2HG2 THR 9 -0.158 19.168 4.499 44 H SER 10 H SER 10 -1.995 14.103 2.366 45 HA SER 10 HA SER 10 -2.230 12.554 4.846 46 HB2 SER 10 1HB SER 10 -4.505 13.472 3.087 47 HB3 SER 10 2HB SER 10 -4.657 12.104 4.190 48 HG SER 10 HG SER 10 -3.930 13.631 5.856 49 H ALA 11 H ALA 11 -2.481 10.329 4.569 50 HA ALA 11 HA ALA 11 -1.539 9.339 2.005 51 HB1 ALA 11 3HB ALA 11 -2.068 7.254 3.901 52 HB2 ALA 11 1HB ALA 11 -0.527 7.792 3.231 53 HB3 ALA 11 2HB ALA 11 -1.178 8.564 4.677 54 HA PRO 12 HA PRO 12 -5.267 7.590 0.491 55 HB2 PRO 12 1HB PRO 12 -4.579 5.063 -0.224 56 HB3 PRO 12 2HB PRO 12 -4.041 6.493 -1.112 57 HG2 PRO 12 1HG PRO 12 -2.576 4.870 0.933 58 HG3 PRO 12 2HG PRO 12 -1.984 5.534 -0.602 59 HD2 PRO 12 1HD PRO 12 -1.480 6.709 1.785 60 HD3 PRO 12 2HD PRO 12 -1.672 7.639 0.285 61 H LYS 13 H LYS 13 -6.855 5.773 0.701 62 HA LYS 13 HA LYS 13 -6.718 4.484 3.343 63 HB2 LYS 13 1HB LYS 13 -9.303 4.860 3.313 64 HB3 LYS 13 2HB LYS 13 -8.237 6.162 3.824 65 HG2 LYS 13 1HG LYS 13 -8.419 7.220 1.666 66 HG3 LYS 13 2HG LYS 13 -9.377 5.870 1.052 67 HD2 LYS 13 1HD LYS 13 -11.002 7.436 1.574 68 HD3 LYS 13 2HD LYS 13 -10.967 6.431 3.025 69 HE2 LYS 13 1HE LYS 13 -9.159 8.199 3.780 70 HE3 LYS 13 2HE LYS 13 -9.998 9.215 2.610 71 HZ1 LYS 13 3HZ LYS 13 -11.631 7.750 4.538 72 HZ2 LYS 13 1HZ LYS 13 -11.866 9.286 3.868 73 HZ3 LYS 13 2HZ LYS 13 -10.746 9.071 5.117 74 H ASP 14 H ASP 14 -8.888 2.972 3.394 75 HA ASP 14 HA ASP 14 -9.688 0.950 2.718 76 HB2 ASP 14 1HB ASP 14 -10.675 2.626 1.005 77 HB3 ASP 14 2HB ASP 14 -9.510 1.930 -0.118 78 H LEU 15 H LEU 15 -6.798 1.285 2.886 79 HA LEU 15 HA LEU 15 -5.598 -0.145 0.717 80 HB2 LEU 15 1HB LEU 15 -4.328 1.451 2.045 81 HB3 LEU 15 2HB LEU 15 -4.575 0.468 3.487 82 HG LEU 15 HG LEU 15 -3.260 -1.348 2.366 83 HD11 LEU 15 1HD1 LEU 15 -3.149 -1.055 0.129 84 HD12 LEU 15 2HD1 LEU 15 -1.691 -0.159 0.553 85 HD13 LEU 15 3HD1 LEU 15 -3.198 0.704 0.243 86 HD21 LEU 15 3HD2 LEU 15 -1.523 -0.574 3.516 87 HD22 LEU 15 1HD2 LEU 15 -2.411 0.936 3.720 88 HD23 LEU 15 2HD2 LEU 15 -1.283 0.751 2.377 89 H THR 16 H THR 16 -6.176 -2.197 0.376 90 HA THR 16 HA THR 16 -6.051 -4.053 2.658 91 HB THR 16 HB THR 16 -8.017 -4.256 0.370 92 HG1 THR 16 1HG THR 16 -9.491 -3.404 1.716 93 HG21 THR 16 3HG2 THR 16 -7.366 -5.975 2.727 94 HG22 THR 16 1HG2 THR 16 -7.712 -6.440 1.061 95 HG23 THR 16 2HG2 THR 16 -9.022 -5.922 2.123 96 H VAL 17 H VAL 17 -5.122 -6.041 2.282 97 HA VAL 17 HA VAL 17 -3.911 -6.413 -0.381 98 HB VAL 17 HB VAL 17 -2.770 -7.212 2.300 99 HG11 VAL 17 1HG1 VAL 17 -2.355 -8.746 0.295 100 HG12 VAL 17 2HG1 VAL 17 -1.381 -7.425 -0.352 101 HG13 VAL 17 3HG1 VAL 17 -0.947 -8.170 1.187 102 HG21 VAL 17 3HG2 VAL 17 -2.498 -4.838 0.636 103 HG22 VAL 17 1HG2 VAL 17 -2.039 -5.101 2.318 104 HG23 VAL 17 2HG2 VAL 17 -0.950 -5.591 1.020 105 H ILE 18 H ILE 18 -4.822 -8.051 -1.421 106 HA ILE 18 HA ILE 18 -5.691 -10.398 0.137 107 HB ILE 18 HB ILE 18 -7.326 -10.849 -1.648 108 HG12 ILE 18 1HG1 ILE 18 -6.709 -8.098 -2.718 109 HG13 ILE 18 2HG1 ILE 18 -5.972 -9.549 -3.388 110 HG21 ILE 18 1HG2 ILE 18 -7.800 -8.036 -0.751 111 HG22 ILE 18 2HG2 ILE 18 -8.935 -9.380 -0.862 112 HG23 ILE 18 3HG2 ILE 18 -7.728 -9.349 0.423 113 HD11 ILE 18 3HD1 ILE 18 -7.942 -8.763 -4.645 114 HD12 ILE 18 1HD1 ILE 18 -8.118 -10.405 -4.028 115 HD13 ILE 18 2HD1 ILE 18 -8.935 -9.066 -3.220 116 H THR 19 H THR 19 -5.091 -12.411 -0.537 117 HA THR 19 HA THR 19 -2.825 -12.567 -2.299 118 HB THR 19 HB THR 19 -3.061 -13.953 -0.220 119 HG1 THR 19 1HG THR 19 -1.815 -14.501 -2.299 120 HG21 THR 19 3HG2 THR 19 -5.483 -14.510 -0.641 121 HG22 THR 19 1HG2 THR 19 -4.465 -15.878 -0.192 122 HG23 THR 19 2HG2 THR 19 -4.930 -15.641 -1.876 123 H ARG 20 H ARG 20 -2.710 -13.414 -4.324 124 HA ARG 20 HA ARG 20 -4.942 -13.339 -5.993 125 HB2 ARG 20 1HB ARG 20 -2.323 -13.385 -6.464 126 HB3 ARG 20 2HB ARG 20 -2.652 -15.090 -6.742 127 HG2 ARG 20 1HG ARG 20 -2.934 -14.297 -8.852 128 HG3 ARG 20 2HG ARG 20 -4.583 -14.114 -8.250 129 HD2 ARG 20 1HD ARG 20 -3.888 -11.755 -7.570 130 HD3 ARG 20 2HD ARG 20 -2.465 -12.009 -8.580 131 HE ARG 20 HE ARG 20 -3.778 -11.612 -10.395 132 HH11 ARG 20 1HH1 ARG 20 -5.817 -12.658 -7.774 133 HH12 ARG 20 2HH1 ARG 20 -7.290 -12.439 -8.660 134 HH21 ARG 20 1HH2 ARG 20 -5.710 -11.318 -11.571 135 HH22 ARG 20 2HH2 ARG 20 -7.228 -11.677 -10.820 136 H GLU 21 H GLU 21 -5.847 -15.132 -7.282 137 HA GLU 21 HA GLU 21 -6.717 -17.249 -5.547 138 HB2 GLU 21 1HB GLU 21 -8.003 -15.978 -7.463 139 HB3 GLU 21 2HB GLU 21 -7.300 -17.228 -8.479 140 HG2 GLU 21 1HG GLU 21 -8.292 -18.907 -6.870 141 HG3 GLU 21 2HG GLU 21 -9.195 -17.561 -6.177 142 H GLY 22 H GLY 22 -4.977 -17.148 -8.660 143 HA2 GLY 22 1HA GLY 22 -4.125 -19.925 -8.202 144 HA3 GLY 22 2HA GLY 22 -4.078 -19.080 -9.743 145 H LYS 23 H LYS 23 -2.965 -17.429 -6.920 146 HA LYS 23 HA LYS 23 -0.202 -18.198 -7.275 147 HB2 LYS 23 1HB LYS 23 -1.221 -15.478 -8.072 148 HB3 LYS 23 2HB LYS 23 0.454 -15.740 -7.602 149 HG2 LYS 23 1HG LYS 23 0.726 -17.344 -9.412 150 HG3 LYS 23 2HG LYS 23 -0.963 -17.120 -9.874 151 HD2 LYS 23 1HD LYS 23 0.768 -14.709 -9.693 152 HD3 LYS 23 2HD LYS 23 1.002 -15.797 -11.064 153 HE2 LYS 23 1HE LYS 23 -1.091 -15.384 -11.921 154 HE3 LYS 23 2HE LYS 23 -1.764 -14.943 -10.352 155 HZ1 LYS 23 3HZ LYS 23 0.238 -13.271 -11.755 156 HZ2 LYS 23 1HZ LYS 23 -0.743 -12.841 -10.446 157 HZ3 LYS 23 2HZ LYS 23 -1.427 -13.073 -11.975 158 HA PRO 24 HA PRO 24 -0.927 -17.272 -2.920 159 HB2 PRO 24 1HB PRO 24 1.234 -18.660 -2.041 160 HB3 PRO 24 2HB PRO 24 -0.296 -19.434 -2.467 161 HG2 PRO 24 1HG PRO 24 2.212 -19.179 -4.081 162 HG3 PRO 24 2HG PRO 24 1.147 -20.584 -3.882 163 HD2 PRO 24 1HD PRO 24 1.059 -18.987 -6.068 164 HD3 PRO 24 2HD PRO 24 -0.379 -19.803 -5.422 165 H ARG 25 H ARG 25 2.192 -17.072 -4.604 166 HA ARG 25 HA ARG 25 3.321 -15.246 -2.705 167 HB2 ARG 25 1HB ARG 25 4.210 -16.037 -5.485 168 HB3 ARG 25 2HB ARG 25 5.147 -15.032 -4.387 169 HG2 ARG 25 1HG ARG 25 5.730 -16.779 -3.057 170 HG3 ARG 25 2HG ARG 25 4.246 -17.673 -3.392 171 HD2 ARG 25 1HD ARG 25 6.154 -17.249 -5.629 172 HD3 ARG 25 2HD ARG 25 6.594 -18.413 -4.380 173 HE ARG 25 HE ARG 25 4.551 -18.704 -6.378 174 HH11 ARG 25 1HH1 ARG 25 5.631 -19.707 -3.224 175 HH12 ARG 25 2HH1 ARG 25 4.780 -21.215 -3.269 176 HH21 ARG 25 1HH2 ARG 25 3.426 -20.687 -6.449 177 HH22 ARG 25 2HH2 ARG 25 3.527 -21.772 -5.104 178 H ALA 26 H ALA 26 0.969 -14.863 -4.976 179 HA ALA 26 HA ALA 26 1.742 -12.107 -5.638 180 HB1 ALA 26 3HB ALA 26 -0.200 -12.282 -7.263 181 HB2 ALA 26 1HB ALA 26 1.211 -13.284 -7.606 182 HB3 ALA 26 2HB ALA 26 -0.228 -14.004 -6.883 183 H VAL 27 H VAL 27 0.411 -10.372 -5.168 184 HA VAL 27 HA VAL 27 -2.073 -10.843 -3.717 185 HB VAL 27 HB VAL 27 -1.417 -9.285 -1.898 186 HG11 VAL 27 1HG1 VAL 27 -1.377 -11.529 -1.268 187 HG12 VAL 27 2HG1 VAL 27 0.031 -11.884 -2.272 188 HG13 VAL 27 3HG1 VAL 27 0.216 -10.937 -0.795 189 HG21 VAL 27 3HG2 VAL 27 1.453 -9.675 -2.316 190 HG22 VAL 27 1HG2 VAL 27 0.685 -8.632 -3.512 191 HG23 VAL 27 2HG2 VAL 27 0.566 -8.242 -1.797 192 H ILE 28 H ILE 28 -3.553 -9.232 -3.963 193 HA ILE 28 HA ILE 28 -2.796 -7.053 -5.771 194 HB ILE 28 HB ILE 28 -5.633 -7.598 -5.014 195 HG12 ILE 28 1HG1 ILE 28 -4.781 -9.818 -5.504 196 HG13 ILE 28 2HG1 ILE 28 -5.777 -9.268 -6.847 197 HG21 ILE 28 1HG2 ILE 28 -4.202 -6.060 -6.969 198 HG22 ILE 28 2HG2 ILE 28 -5.305 -7.180 -7.765 199 HG23 ILE 28 3HG2 ILE 28 -5.919 -6.039 -6.569 200 HD11 ILE 28 3HD1 ILE 28 -3.027 -10.089 -6.821 201 HD12 ILE 28 1HD1 ILE 28 -4.101 -9.797 -8.188 202 HD13 ILE 28 2HD1 ILE 28 -3.189 -8.462 -7.481 203 H VAL 29 H VAL 29 -1.976 -5.462 -4.487 204 HA VAL 29 HA VAL 29 -3.298 -4.681 -2.037 205 HB VAL 29 HB VAL 29 -0.990 -3.360 -3.472 206 HG11 VAL 29 1HG1 VAL 29 -1.545 -1.700 -2.048 207 HG12 VAL 29 2HG1 VAL 29 -2.456 -2.772 -0.982 208 HG13 VAL 29 3HG1 VAL 29 -0.696 -2.707 -0.877 209 HG21 VAL 29 3HG2 VAL 29 0.213 -5.110 -2.806 210 HG22 VAL 29 1HG2 VAL 29 -0.086 -4.598 -1.145 211 HG23 VAL 29 2HG2 VAL 29 -1.149 -5.780 -1.908 212 H SER 30 H SER 30 -5.161 -3.608 -2.217 213 HA SER 30 HA SER 30 -5.466 -1.610 -4.341 214 HB2 SER 30 1HB SER 30 -7.865 -1.703 -3.843 215 HB3 SER 30 2HB SER 30 -7.233 -3.320 -4.150 216 HG SER 30 HG SER 30 -8.071 -2.159 -1.737 217 H TRP 31 H TRP 31 -6.862 0.331 -3.651 218 HA TRP 31 HA TRP 31 -6.828 1.252 -0.993 219 HB2 TRP 31 1HB TRP 31 -5.063 2.937 -1.105 220 HB3 TRP 31 2HB TRP 31 -4.391 1.328 -1.351 221 HD1 TRP 31 HD TRP 31 -5.168 4.565 -3.266 222 HE1 TRP 31 1HE TRP 31 -3.772 4.586 -5.429 223 HE3 TRP 31 3HE TRP 31 -3.211 -0.151 -3.014 224 HZ2 TRP 31 2HZ TRP 31 -2.068 2.835 -6.841 225 HZ3 TRP 31 3HZ TRP 31 -1.707 -0.901 -4.812 226 HH2 TRP 31 HH TRP 31 -1.149 0.562 -6.685 227 H GLN 32 H GLN 32 -7.061 3.791 -1.003 228 HA GLN 32 HA GLN 32 -8.608 4.585 -3.375 229 HB2 GLN 32 1HB GLN 32 -9.441 4.511 -0.524 230 HB3 GLN 32 2HB GLN 32 -9.970 5.891 -1.477 231 HG2 GLN 32 1HG GLN 32 -11.410 3.695 -1.287 232 HG3 GLN 32 2HG GLN 32 -11.359 4.648 -2.769 233 HE21 GLN 32 1HE2 GLN 32 -10.467 3.794 -4.582 234 HE22 GLN 32 2HE2 GLN 32 -9.891 2.169 -4.698 235 HA PRO 33 HA PRO 33 -6.450 8.401 -3.307 236 HB2 PRO 33 1HB PRO 33 -8.376 10.177 -4.017 237 HB3 PRO 33 2HB PRO 33 -7.673 9.018 -5.152 238 HG2 PRO 33 1HG PRO 33 -10.258 8.868 -3.650 239 HG3 PRO 33 2HG PRO 33 -9.921 8.457 -5.342 240 HD2 PRO 33 1HD PRO 33 -10.121 6.581 -3.399 241 HD3 PRO 33 2HD PRO 33 -9.044 6.397 -4.798 242 HA PRO 34 HA PRO 34 -7.049 10.131 0.730 243 HB2 PRO 34 1HB PRO 34 -5.237 12.142 0.522 244 HB3 PRO 34 2HB PRO 34 -4.774 10.452 0.753 245 HG2 PRO 34 1HG PRO 34 -4.844 12.069 -1.765 246 HG3 PRO 34 2HG PRO 34 -3.609 10.928 -1.203 247 HD2 PRO 34 1HD PRO 34 -5.473 10.263 -3.051 248 HD3 PRO 34 2HD PRO 34 -4.814 9.089 -1.895 249 H LEU 35 H LEU 35 -7.737 12.124 1.740 250 HA LEU 35 HA LEU 35 -9.566 13.604 0.057 251 HB2 LEU 35 1HB LEU 35 -9.093 13.316 2.976 252 HB3 LEU 35 2HB LEU 35 -9.898 14.779 2.411 253 HG LEU 35 HG LEU 35 -11.593 13.258 3.065 254 HD11 LEU 35 1HD1 LEU 35 -12.891 13.542 1.264 255 HD12 LEU 35 2HD1 LEU 35 -11.802 12.638 0.212 256 HD13 LEU 35 3HD1 LEU 35 -11.478 14.335 0.567 257 HD21 LEU 35 3HD2 LEU 35 -9.865 11.273 2.658 258 HD22 LEU 35 1HD2 LEU 35 -10.799 11.125 1.169 259 HD23 LEU 35 2HD2 LEU 35 -11.608 11.012 2.732 260 H GLU 36 H GLU 36 -6.656 14.240 1.957 261 HA GLU 36 HA GLU 36 -6.657 17.037 1.147 262 HB2 GLU 36 1HB GLU 36 -4.548 15.616 2.768 263 HB3 GLU 36 2HB GLU 36 -4.860 17.344 2.683 264 HG2 GLU 36 1HG GLU 36 -7.196 16.678 3.631 265 HG3 GLU 36 2HG GLU 36 -6.350 15.220 4.145 266 H ALA 37 H ALA 37 -6.426 15.260 -0.988 267 HA ALA 37 HA ALA 37 -3.829 14.633 -1.794 268 HB1 ALA 37 3HB ALA 37 -6.413 15.055 -3.200 269 HB2 ALA 37 1HB ALA 37 -4.938 14.992 -4.165 270 HB3 ALA 37 2HB ALA 37 -5.378 13.628 -3.136 271 H ASN 38 H ASN 38 -5.368 17.673 -1.512 272 HA ASN 38 HA ASN 38 -4.770 19.801 -2.056 273 HB2 ASN 38 1HB ASN 38 -2.099 18.424 -1.866 274 HB3 ASN 38 2HB ASN 38 -2.218 20.141 -2.240 275 HD21 ASN 38 1HD2 ASN 38 -1.417 18.297 0.151 276 HD22 ASN 38 2HD2 ASN 38 -2.100 19.130 1.502 277 H GLY 39 H GLY 39 -5.636 18.207 -4.217 278 HA2 GLY 39 1HA GLY 39 -5.495 19.595 -6.423 279 HA3 GLY 39 2HA GLY 39 -3.862 18.946 -6.435 280 H LYS 40 H LYS 40 -3.625 17.238 -7.695 281 HA LYS 40 HA LYS 40 -5.686 15.169 -7.720 282 HB2 LYS 40 1HB LYS 40 -6.347 16.469 -9.609 283 HB3 LYS 40 2HB LYS 40 -4.686 16.629 -10.163 284 HG2 LYS 40 1HG LYS 40 -4.806 14.019 -10.315 285 HG3 LYS 40 2HG LYS 40 -6.545 14.314 -10.380 286 HD2 LYS 40 1HD LYS 40 -5.825 14.264 -12.626 287 HD3 LYS 40 2HD LYS 40 -6.047 15.972 -12.238 288 HE2 LYS 40 1HE LYS 40 -3.593 16.083 -11.746 289 HE3 LYS 40 2HE LYS 40 -3.453 14.442 -12.374 290 HZ1 LYS 40 3HZ LYS 40 -3.821 16.940 -13.794 291 HZ2 LYS 40 1HZ LYS 40 -4.758 15.652 -14.363 292 HZ3 LYS 40 2HZ LYS 40 -3.075 15.507 -14.296 293 H ILE 41 H ILE 41 -4.673 13.348 -7.228 294 HA ILE 41 HA ILE 41 -1.913 12.967 -7.239 295 HB ILE 41 HB ILE 41 -3.946 10.752 -7.478 296 HG12 ILE 41 1HG1 ILE 41 -4.692 12.211 -5.706 297 HG13 ILE 41 2HG1 ILE 41 -3.961 10.785 -4.978 298 HG21 ILE 41 1HG2 ILE 41 -1.153 10.743 -7.283 299 HG22 ILE 41 2HG2 ILE 41 -1.749 10.280 -5.690 300 HG23 ILE 41 3HG2 ILE 41 -2.246 9.370 -7.117 301 HD11 ILE 41 3HD1 ILE 41 -2.523 13.398 -5.354 302 HD12 ILE 41 1HD1 ILE 41 -3.375 12.937 -3.880 303 HD13 ILE 41 2HD1 ILE 41 -1.986 11.997 -4.427 304 H THR 42 H THR 42 -0.468 12.219 -8.690 305 HA THR 42 HA THR 42 -1.490 11.432 -11.341 306 HB THR 42 HB THR 42 0.639 12.391 -12.275 307 HG1 THR 42 1HG THR 42 1.446 14.124 -10.695 308 HG21 THR 42 3HG2 THR 42 -1.690 13.565 -12.040 309 HG22 THR 42 1HG2 THR 42 -0.282 14.490 -12.561 310 HG23 THR 42 2HG2 THR 42 -0.835 14.591 -10.889 311 H ALA 43 H ALA 43 0.273 10.496 -8.646 312 HA ALA 43 HA ALA 43 1.079 8.040 -9.907 313 HB1 ALA 43 3HB ALA 43 3.292 9.655 -8.677 314 HB2 ALA 43 1HB ALA 43 3.407 8.193 -9.657 315 HB3 ALA 43 2HB ALA 43 2.929 9.719 -10.402 316 H TYR 44 H TYR 44 1.068 6.402 -8.475 317 HA TYR 44 HA TYR 44 0.847 7.111 -5.625 318 HB2 TYR 44 1HB TYR 44 -0.411 4.903 -7.240 319 HB3 TYR 44 2HB TYR 44 -0.317 4.822 -5.485 320 HD1 TYR 44 2HD TYR 44 -1.239 6.956 -4.232 321 HD2 TYR 44 1HD TYR 44 -2.283 5.854 -8.207 322 HE1 TYR 44 2HE TYR 44 -3.295 8.294 -4.057 323 HE2 TYR 44 1HE TYR 44 -4.341 7.191 -8.043 324 HH TYR 44 HH TYR 44 -5.770 8.063 -5.495 325 H ILE 45 H ILE 45 2.516 6.557 -4.408 326 HA ILE 45 HA ILE 45 4.315 4.433 -5.341 327 HB ILE 45 HB ILE 45 4.865 6.429 -3.149 328 HG12 ILE 45 1HG1 ILE 45 6.325 7.477 -5.026 329 HG13 ILE 45 2HG1 ILE 45 5.250 6.620 -6.125 330 HG21 ILE 45 1HG2 ILE 45 7.124 5.776 -3.339 331 HG22 ILE 45 2HG2 ILE 45 6.191 4.280 -3.313 332 HG23 ILE 45 3HG2 ILE 45 6.824 4.898 -4.839 333 HD11 ILE 45 3HD1 ILE 45 4.867 9.126 -4.924 334 HD12 ILE 45 1HD1 ILE 45 3.747 8.225 -5.946 335 HD13 ILE 45 2HD1 ILE 45 3.694 8.030 -4.194 336 H LEU 46 H LEU 46 4.222 2.514 -4.396 337 HA LEU 46 HA LEU 46 2.983 2.304 -1.739 338 HB2 LEU 46 1HB LEU 46 1.786 0.988 -3.271 339 HB3 LEU 46 2HB LEU 46 3.259 0.380 -4.025 340 HG LEU 46 HG LEU 46 3.712 -0.862 -1.881 341 HD11 LEU 46 1HD1 LEU 46 2.066 -1.104 -0.246 342 HD12 LEU 46 2HD1 LEU 46 0.812 -0.408 -1.271 343 HD13 LEU 46 3HD1 LEU 46 2.071 0.625 -0.594 344 HD21 LEU 46 3HD2 LEU 46 2.978 -2.221 -3.598 345 HD22 LEU 46 1HD2 LEU 46 1.407 -1.427 -3.697 346 HD23 LEU 46 2HD2 LEU 46 1.761 -2.514 -2.354 347 H PHE 47 H PHE 47 3.936 1.026 -0.124 348 HA PHE 47 HA PHE 47 6.715 0.200 -0.593 349 HB2 PHE 47 1HB PHE 47 5.787 1.727 1.847 350 HB3 PHE 47 2HB PHE 47 7.427 1.180 1.513 351 HD1 PHE 47 1HD PHE 47 4.747 3.282 -0.003 352 HD2 PHE 47 2HD PHE 47 8.916 2.674 0.603 353 HE1 PHE 47 1HE PHE 47 5.220 5.414 -1.137 354 HE2 PHE 47 2HE PHE 47 9.395 4.805 -0.529 355 HZ PHE 47 HZ PHE 47 7.546 6.178 -1.400 356 H TYR 48 H TYR 48 7.069 -1.819 0.038 357 HA TYR 48 HA TYR 48 5.529 -2.917 2.279 358 HB2 TYR 48 1HB TYR 48 5.146 -5.010 1.037 359 HB3 TYR 48 2HB TYR 48 4.365 -3.639 0.257 360 HD1 TYR 48 1HD TYR 48 7.069 -6.103 0.010 361 HD2 TYR 48 2HD TYR 48 5.126 -2.833 -1.897 362 HE1 TYR 48 1HE TYR 48 8.211 -6.660 -2.096 363 HE2 TYR 48 2HE TYR 48 6.262 -3.382 -4.008 364 HH TYR 48 HH TYR 48 7.394 -5.092 -5.099 365 H THR 49 H THR 49 6.617 -4.366 3.542 366 HA THR 49 HA THR 49 9.111 -5.537 2.698 367 HB THR 49 HB THR 49 9.710 -3.178 3.419 368 HG1 THR 49 1HG THR 49 11.413 -4.112 4.920 369 HG21 THR 49 3HG2 THR 49 8.238 -2.877 5.285 370 HG22 THR 49 1HG2 THR 49 9.890 -2.870 5.899 371 HG23 THR 49 2HG2 THR 49 8.884 -4.305 6.093 372 H LEU 50 H LEU 50 10.085 -6.878 4.451 373 HA LEU 50 HA LEU 50 7.942 -8.115 6.008 374 HB2 LEU 50 1HB LEU 50 9.298 -10.046 6.132 375 HB3 LEU 50 2HB LEU 50 9.400 -9.457 4.474 376 HG LEU 50 HG LEU 50 11.520 -8.747 6.467 377 HD11 LEU 50 1HD1 LEU 50 11.323 -11.304 4.886 378 HD12 LEU 50 2HD1 LEU 50 11.370 -11.139 6.641 379 HD13 LEU 50 3HD1 LEU 50 12.788 -10.723 5.678 380 HD21 LEU 50 3HD2 LEU 50 11.095 -8.572 3.571 381 HD22 LEU 50 1HD2 LEU 50 12.688 -9.160 4.048 382 HD23 LEU 50 2HD2 LEU 50 12.113 -7.598 4.634 383 H ASP 51 H ASP 51 10.731 -6.158 6.391 384 HA ASP 51 HA ASP 51 10.557 -6.490 9.314 385 HB2 ASP 51 1HB ASP 51 12.933 -6.342 7.520 386 HB3 ASP 51 2HB ASP 51 13.048 -5.575 9.102 387 H LYS 52 H LYS 52 9.913 -4.728 10.345 388 HA LYS 52 HA LYS 52 9.776 -2.196 8.937 389 HB2 LYS 52 1HB LYS 52 8.547 -1.429 10.953 390 HB3 LYS 52 2HB LYS 52 7.838 -2.861 10.218 391 HG2 LYS 52 1HG LYS 52 8.838 -4.266 11.916 392 HG3 LYS 52 2HG LYS 52 9.643 -2.866 12.629 393 HD2 LYS 52 1HD LYS 52 7.738 -3.233 13.963 394 HD3 LYS 52 2HD LYS 52 7.317 -1.874 12.918 395 HE2 LYS 52 1HE LYS 52 6.234 -3.541 11.374 396 HE3 LYS 52 2HE LYS 52 6.478 -4.753 12.630 397 HZ1 LYS 52 3HZ LYS 52 5.102 -2.240 13.292 398 HZ2 LYS 52 1HZ LYS 52 4.950 -3.766 14.008 399 HZ3 LYS 52 2HZ LYS 52 4.251 -3.468 12.497 400 H ASN 53 H ASN 53 11.718 -3.724 11.360 401 HA ASN 53 HA ASN 53 12.759 -1.702 12.848 402 HB2 ASN 53 1HB ASN 53 14.406 -3.894 11.565 403 HB3 ASN 53 2HB ASN 53 14.817 -2.993 13.022 404 HD21 ASN 53 1HD2 ASN 53 14.299 -3.879 14.885 405 HD22 ASN 53 2HD2 ASN 53 13.137 -5.135 15.123 406 H ILE 54 H ILE 54 13.081 -2.131 9.450 407 HA ILE 54 HA ILE 54 15.310 -0.263 9.248 408 HB ILE 54 HB ILE 54 14.960 -0.647 6.745 409 HG12 ILE 54 1HG1 ILE 54 13.311 -2.966 7.769 410 HG13 ILE 54 2HG1 ILE 54 12.632 -1.529 7.013 411 HG21 ILE 54 1HG2 ILE 54 16.720 -1.699 8.158 412 HG22 ILE 54 2HG2 ILE 54 15.641 -3.073 8.396 413 HG23 ILE 54 3HG2 ILE 54 16.226 -2.681 6.779 414 HD11 ILE 54 3HD1 ILE 54 14.571 -2.434 5.234 415 HD12 ILE 54 1HD1 ILE 54 13.747 -3.885 5.806 416 HD13 ILE 54 2HD1 ILE 54 12.820 -2.574 5.074 417 HA PRO 55 HA PRO 55 12.920 3.323 8.413 418 HB2 PRO 55 1HB PRO 55 14.478 4.596 6.591 419 HB3 PRO 55 2HB PRO 55 14.903 4.478 8.302 420 HG2 PRO 55 1HG PRO 55 15.878 2.843 5.992 421 HG3 PRO 55 2HG PRO 55 16.796 3.523 7.349 422 HD2 PRO 55 1HD PRO 55 16.037 0.925 7.259 423 HD3 PRO 55 2HD PRO 55 16.176 1.828 8.782 424 H ILE 56 H ILE 56 11.247 3.885 7.138 425 HA ILE 56 HA ILE 56 10.145 2.382 5.205 426 HB ILE 56 HB ILE 56 9.086 4.404 6.160 427 HG12 ILE 56 1HG1 ILE 56 7.933 5.120 4.051 428 HG13 ILE 56 2HG1 ILE 56 9.126 4.198 3.143 429 HG21 ILE 56 1HG2 ILE 56 10.309 6.125 4.080 430 HG22 ILE 56 2HG2 ILE 56 9.713 6.538 5.686 431 HG23 ILE 56 3HG2 ILE 56 11.281 5.752 5.503 432 HD11 ILE 56 3HD1 ILE 56 7.733 2.484 3.292 433 HD12 ILE 56 1HD1 ILE 56 8.156 2.395 5.001 434 HD13 ILE 56 2HD1 ILE 56 6.735 3.308 4.491 435 H ASP 57 H ASP 57 12.895 4.458 4.809 436 HA ASP 57 HA ASP 57 12.859 4.648 1.982 437 HB2 ASP 57 1HB ASP 57 14.183 6.133 3.493 438 HB3 ASP 57 2HB ASP 57 15.263 4.778 3.813 439 H ASP 58 H ASP 58 14.535 2.456 4.218 440 HA ASP 58 HA ASP 58 15.900 0.970 2.257 441 HB2 ASP 58 1HB ASP 58 16.068 1.029 4.911 442 HB3 ASP 58 2HB ASP 58 15.008 -0.370 4.766 443 H TRP 59 H TRP 59 12.618 0.922 3.328 444 HA TRP 59 HA TRP 59 11.849 -1.674 2.683 445 HB2 TRP 59 1HB TRP 59 10.266 0.893 2.444 446 HB3 TRP 59 2HB TRP 59 9.572 -0.725 2.381 447 HD1 TRP 59 HD TRP 59 12.320 -0.054 4.920 448 HE1 TRP 59 1HE TRP 59 11.302 -0.094 7.284 449 HE3 TRP 59 3HE TRP 59 7.366 -0.240 3.669 450 HZ2 TRP 59 2HZ TRP 59 8.739 -0.192 8.463 451 HZ3 TRP 59 3HZ TRP 59 5.695 -0.305 5.475 452 HH2 TRP 59 HH TRP 59 6.370 -0.282 7.821 453 H ILE 60 H ILE 60 10.206 -2.082 0.804 454 HA ILE 60 HA ILE 60 11.644 -1.459 -1.665 455 HB ILE 60 HB ILE 60 9.455 -3.481 -1.172 456 HG12 ILE 60 1HG1 ILE 60 12.280 -4.220 -1.788 457 HG13 ILE 60 2HG1 ILE 60 11.899 -3.693 -0.152 458 HG21 ILE 60 1HG2 ILE 60 11.136 -3.914 -3.486 459 HG22 ILE 60 2HG2 ILE 60 9.378 -3.861 -3.363 460 HG23 ILE 60 3HG2 ILE 60 10.292 -2.368 -3.572 461 HD11 ILE 60 3HD1 ILE 60 10.433 -5.905 -1.559 462 HD12 ILE 60 1HD1 ILE 60 11.842 -6.163 -0.531 463 HD13 ILE 60 2HD1 ILE 60 10.368 -5.475 0.150 464 H MET 61 H MET 61 10.966 0.475 -2.423 465 HA MET 61 HA MET 61 8.192 1.252 -2.336 466 HB2 MET 61 1HB MET 61 9.997 2.910 -2.075 467 HB3 MET 61 2HB MET 61 10.540 2.568 -3.712 468 HG2 MET 61 1HG MET 61 7.934 3.171 -4.144 469 HG3 MET 61 2HG MET 61 8.303 4.204 -2.766 470 HE1 MET 61 3HE MET 61 11.084 3.300 -5.654 471 HE2 MET 61 1HE MET 61 9.427 2.958 -6.155 472 HE3 MET 61 2HE MET 61 10.310 4.299 -6.885 473 H GLU 62 H GLU 62 6.837 1.605 -4.127 474 HA GLU 62 HA GLU 62 7.702 0.522 -6.701 475 HB2 GLU 62 1HB GLU 62 5.584 -0.612 -4.945 476 HB3 GLU 62 2HB GLU 62 5.268 -0.570 -6.674 477 HG2 GLU 62 1HG GLU 62 7.417 -2.038 -5.197 478 HG3 GLU 62 2HG GLU 62 6.190 -2.674 -6.290 479 H THR 63 H THR 63 7.178 1.906 -8.246 480 HA THR 63 HA THR 63 5.357 4.076 -7.735 481 HB THR 63 HB THR 63 6.771 3.367 -10.312 482 HG1 THR 63 1HG THR 63 8.240 5.048 -9.552 483 HG21 THR 63 3HG2 THR 63 5.871 5.204 -11.216 484 HG22 THR 63 1HG2 THR 63 6.217 6.170 -9.783 485 HG23 THR 63 2HG2 THR 63 4.745 5.202 -9.859 486 H ILE 64 H ILE 64 3.336 4.379 -8.525 487 HA ILE 64 HA ILE 64 2.251 2.360 -10.365 488 HB ILE 64 HB ILE 64 0.663 3.417 -8.035 489 HG12 ILE 64 1HG1 ILE 64 1.737 0.632 -8.047 490 HG13 ILE 64 2HG1 ILE 64 2.817 1.936 -7.564 491 HG21 ILE 64 1HG2 ILE 64 0.192 1.575 -10.274 492 HG22 ILE 64 2HG2 ILE 64 -0.385 1.012 -8.706 493 HG23 ILE 64 3HG2 ILE 64 -0.945 2.556 -9.349 494 HD11 ILE 64 3HD1 ILE 64 0.226 2.088 -6.265 495 HD12 ILE 64 1HD1 ILE 64 1.078 0.580 -5.933 496 HD13 ILE 64 2HD1 ILE 64 1.848 2.126 -5.575 497 H SER 65 H SER 65 0.673 3.074 -11.781 498 HA SER 65 HA SER 65 0.787 5.727 -12.625 499 HB2 SER 65 1HB SER 65 -0.105 3.529 -13.798 500 HB3 SER 65 2HB SER 65 -1.660 4.109 -13.204 501 HG SER 65 HG SER 65 -0.779 6.209 -14.224 502 H GLY 66 H GLY 66 -0.317 7.539 -12.143 503 HA2 GLY 66 1HA GLY 66 -1.732 7.748 -9.724 504 HA3 GLY 66 2HA GLY 66 -1.678 8.976 -10.981 505 H ASP 67 H ASP 67 -2.778 6.509 -12.665 506 HA ASP 67 HA ASP 67 -5.555 7.318 -12.313 507 HB2 ASP 67 1HB ASP 67 -4.341 7.133 -14.577 508 HB3 ASP 67 2HB ASP 67 -4.537 5.392 -14.392 509 H ARG 68 H ARG 68 -3.474 4.614 -11.715 510 HA ARG 68 HA ARG 68 -5.726 2.830 -11.201 511 HB2 ARG 68 1HB ARG 68 -2.767 2.264 -10.953 512 HB3 ARG 68 2HB ARG 68 -4.070 1.082 -10.944 513 HG2 ARG 68 1HG ARG 68 -4.589 1.591 -13.254 514 HG3 ARG 68 2HG ARG 68 -3.349 2.847 -13.274 515 HD2 ARG 68 1HD ARG 68 -1.793 0.875 -12.514 516 HD3 ARG 68 2HD ARG 68 -3.054 -0.119 -13.242 517 HE ARG 68 HE ARG 68 -2.241 1.967 -14.992 518 HH11 ARG 68 1HH1 ARG 68 -1.299 -1.148 -13.757 519 HH12 ARG 68 2HH1 ARG 68 -0.358 -1.562 -15.152 520 HH21 ARG 68 1HH2 ARG 68 -1.006 1.434 -16.834 521 HH22 ARG 68 2HH2 ARG 68 -0.191 -0.092 -16.901 522 H LEU 69 H LEU 69 -6.092 1.848 -9.185 523 HA LEU 69 HA LEU 69 -4.868 3.253 -6.901 524 HB2 LEU 69 1HB LEU 69 -7.678 2.212 -7.211 525 HB3 LEU 69 2HB LEU 69 -7.007 2.835 -5.705 526 HG LEU 69 HG LEU 69 -7.125 4.529 -8.181 527 HD11 LEU 69 1HD1 LEU 69 -9.368 4.138 -8.055 528 HD12 LEU 69 2HD1 LEU 69 -9.229 5.447 -6.883 529 HD13 LEU 69 3HD1 LEU 69 -9.324 3.776 -6.329 530 HD21 LEU 69 3HD2 LEU 69 -7.495 6.143 -6.044 531 HD22 LEU 69 1HD2 LEU 69 -5.919 5.773 -6.745 532 HD23 LEU 69 2HD2 LEU 69 -6.486 4.884 -5.331 533 H THR 70 H THR 70 -4.509 0.536 -8.414 534 HA THR 70 HA THR 70 -4.226 -1.042 -5.950 535 HB THR 70 HB THR 70 -5.094 -3.005 -6.892 536 HG1 THR 70 1HG THR 70 -4.621 -1.691 -9.327 537 HG21 THR 70 3HG2 THR 70 -6.786 -1.169 -6.387 538 HG22 THR 70 1HG2 THR 70 -7.337 -2.485 -7.422 539 HG23 THR 70 2HG2 THR 70 -6.892 -0.933 -8.131 540 H HIS 71 H HIS 71 -2.653 -2.807 -6.143 541 HA HIS 71 HA HIS 71 -0.762 -2.615 -8.346 542 HB2 HIS 71 1HB HIS 71 0.139 -0.959 -6.852 543 HB3 HIS 71 2HB HIS 71 -0.019 -2.043 -5.473 544 HD1 HIS 71 1HD HIS 71 2.032 -1.566 -8.603 545 HD2 HIS 71 2HD HIS 71 2.111 -3.734 -5.060 546 HE1 HIS 71 1HE HIS 71 4.308 -2.632 -8.518 547 HE2 HIS 71 2HE HIS 71 4.302 -4.007 -6.408 548 H GLN 72 H GLN 72 0.186 -4.525 -8.807 549 HA GLN 72 HA GLN 72 -0.459 -6.780 -7.041 550 HB2 GLN 72 1HB GLN 72 -1.160 -6.690 -9.526 551 HB3 GLN 72 2HB GLN 72 0.532 -7.027 -9.869 552 HG2 GLN 72 1HG GLN 72 0.261 -9.032 -8.310 553 HG3 GLN 72 2HG GLN 72 -1.472 -8.754 -8.467 554 HE21 GLN 72 1HE2 GLN 72 -2.501 -9.320 -10.319 555 HE22 GLN 72 2HE2 GLN 72 -1.736 -10.138 -11.634 556 H ILE 73 H ILE 73 1.090 -7.922 -6.052 557 HA ILE 73 HA ILE 73 3.888 -7.260 -6.693 558 HB ILE 73 HB ILE 73 2.747 -8.243 -4.075 559 HG12 ILE 73 1HG1 ILE 73 3.877 -5.535 -4.816 560 HG13 ILE 73 2HG1 ILE 73 2.164 -5.896 -4.629 561 HG21 ILE 73 1HG2 ILE 73 5.001 -9.060 -4.422 562 HG22 ILE 73 2HG2 ILE 73 5.554 -7.435 -4.823 563 HG23 ILE 73 3HG2 ILE 73 5.001 -7.800 -3.189 564 HD11 ILE 73 3HD1 ILE 73 2.795 -4.884 -2.626 565 HD12 ILE 73 1HD1 ILE 73 2.747 -6.608 -2.258 566 HD13 ILE 73 2HD1 ILE 73 4.295 -5.806 -2.529 567 H MET 74 H MET 74 5.406 -8.895 -6.869 568 HA MET 74 HA MET 74 4.416 -11.657 -6.745 569 HB2 MET 74 1HB MET 74 5.961 -10.412 -9.025 570 HB3 MET 74 2HB MET 74 5.705 -12.142 -8.837 571 HG2 MET 74 1HG MET 74 3.185 -11.453 -8.741 572 HG3 MET 74 2HG MET 74 3.766 -10.005 -9.559 573 HE1 MET 74 3HE MET 74 5.517 -10.186 -11.361 574 HE2 MET 74 1HE MET 74 5.461 -11.345 -12.689 575 HE3 MET 74 2HE MET 74 4.173 -10.155 -12.503 576 H ASP 75 H ASP 75 6.203 -13.266 -6.746 577 HA ASP 75 HA ASP 75 8.123 -14.117 -5.870 578 HB2 ASP 75 1HB ASP 75 9.341 -11.373 -6.160 579 HB3 ASP 75 2HB ASP 75 10.162 -12.931 -6.174 580 H LEU 76 H LEU 76 6.305 -13.569 -4.014 581 HA LEU 76 HA LEU 76 7.701 -12.111 -1.876 582 HB2 LEU 76 1HB LEU 76 4.819 -12.775 -2.356 583 HB3 LEU 76 2HB LEU 76 5.394 -12.354 -0.744 584 HG LEU 76 HG LEU 76 5.538 -10.589 -3.188 585 HD11 LEU 76 1HD1 LEU 76 4.015 -9.326 -1.294 586 HD12 LEU 76 2HD1 LEU 76 3.511 -11.009 -1.134 587 HD13 LEU 76 3HD1 LEU 76 3.396 -10.199 -2.696 588 HD21 LEU 76 3HD2 LEU 76 7.354 -9.932 -1.908 589 HD22 LEU 76 1HD2 LEU 76 6.545 -10.302 -0.385 590 HD23 LEU 76 2HD2 LEU 76 6.067 -8.882 -1.315 591 H ASN 77 H ASN 77 7.853 -13.036 0.215 592 HA ASN 77 HA ASN 77 8.585 -15.743 0.261 593 HB2 ASN 77 1HB ASN 77 8.072 -13.696 2.399 594 HB3 ASN 77 2HB ASN 77 8.410 -15.369 2.832 595 HD21 ASN 77 1HD2 ASN 77 10.107 -13.570 3.755 596 HD22 ASN 77 2HD2 ASN 77 11.604 -13.601 2.891 597 H LEU 78 H LEU 78 7.635 -17.278 1.998 598 HA LEU 78 HA LEU 78 4.719 -17.365 1.602 599 HB2 LEU 78 1HB LEU 78 6.720 -19.585 1.969 600 HB3 LEU 78 2HB LEU 78 4.975 -19.826 1.989 601 HG LEU 78 HG LEU 78 5.928 -20.460 -0.159 602 HD11 LEU 78 1HD1 LEU 78 4.434 -19.239 -1.578 603 HD12 LEU 78 2HD1 LEU 78 4.350 -17.907 -0.426 604 HD13 LEU 78 3HD1 LEU 78 3.651 -19.473 -0.015 605 HD21 LEU 78 3HD2 LEU 78 6.637 -17.610 -0.711 606 HD22 LEU 78 1HD2 LEU 78 7.197 -19.081 -1.506 607 HD23 LEU 78 2HD2 LEU 78 7.793 -18.667 0.102 608 H ASP 79 H ASP 79 3.382 -17.963 3.322 609 HA ASP 79 HA ASP 79 2.697 -17.642 5.493 610 HB2 ASP 79 1HB ASP 79 3.520 -19.346 6.986 611 HB3 ASP 79 2HB ASP 79 3.424 -20.031 5.366 612 H THR 80 H THR 80 4.279 -15.522 4.774 613 HA THR 80 HA THR 80 5.723 -14.972 7.281 614 HB THR 80 HB THR 80 6.570 -14.087 4.515 615 HG1 THR 80 1HG THR 80 7.100 -16.299 5.882 616 HG21 THR 80 3HG2 THR 80 8.601 -13.262 5.823 617 HG22 THR 80 1HG2 THR 80 7.593 -13.409 7.262 618 HG23 THR 80 2HG2 THR 80 7.122 -12.312 5.964 619 H MET 81 H MET 81 5.596 -12.857 8.069 620 HA MET 81 HA MET 81 3.216 -11.434 7.272 621 HB2 MET 81 1HB MET 81 3.879 -11.745 9.658 622 HB3 MET 81 2HB MET 81 5.257 -10.690 9.373 623 HG2 MET 81 1HG MET 81 3.354 -9.556 10.456 624 HG3 MET 81 2HG MET 81 3.821 -8.832 8.918 625 HE1 MET 81 3HE MET 81 0.009 -10.939 10.103 626 HE2 MET 81 1HE MET 81 1.190 -12.099 9.494 627 HE3 MET 81 2HE MET 81 1.600 -11.057 10.856 628 H TYR 82 H TYR 82 3.110 -9.716 5.977 629 HA TYR 82 HA TYR 82 5.605 -8.276 5.358 630 HB2 TYR 82 1HB TYR 82 3.562 -9.451 3.545 631 HB3 TYR 82 2HB TYR 82 4.249 -7.898 3.082 632 HD1 TYR 82 1HD TYR 82 6.921 -7.821 3.307 633 HD2 TYR 82 2HD TYR 82 4.602 -11.344 2.744 634 HE1 TYR 82 1HE TYR 82 8.893 -8.965 2.384 635 HE2 TYR 82 2HE TYR 82 6.568 -12.497 1.820 636 HH TYR 82 HH TYR 82 8.879 -11.479 0.571 637 H TYR 83 H TYR 83 5.514 -6.225 5.955 638 HA TYR 83 HA TYR 83 3.011 -4.982 6.645 639 HB2 TYR 83 1HB TYR 83 5.729 -3.672 6.544 640 HB3 TYR 83 2HB TYR 83 4.325 -3.164 7.476 641 HD1 TYR 83 1HD TYR 83 3.580 -5.987 8.447 642 HD2 TYR 83 2HD TYR 83 7.253 -3.840 8.375 643 HE1 TYR 83 1HE TYR 83 4.378 -7.300 10.368 644 HE2 TYR 83 2HE TYR 83 8.061 -5.148 10.295 645 HH TYR 83 HH TYR 83 6.655 -7.971 11.320 646 H PHE 84 H PHE 84 1.893 -3.476 5.534 647 HA PHE 84 HA PHE 84 2.942 -2.713 2.890 648 HB2 PHE 84 1HB PHE 84 0.118 -3.183 3.841 649 HB3 PHE 84 2HB PHE 84 0.481 -2.357 2.329 650 HD1 PHE 84 1HD PHE 84 1.749 -3.586 0.549 651 HD2 PHE 84 2HD PHE 84 0.163 -5.522 3.992 652 HE1 PHE 84 1HE PHE 84 1.922 -5.757 -0.597 653 HE2 PHE 84 2HE PHE 84 0.335 -7.696 2.852 654 HZ PHE 84 HZ PHE 84 1.216 -7.816 0.556 655 H ARG 85 H ARG 85 2.961 -0.598 2.286 656 HA ARG 85 HA ARG 85 1.604 1.413 3.861 657 HB2 ARG 85 1HB ARG 85 4.558 0.996 3.963 658 HB3 ARG 85 2HB ARG 85 3.944 2.643 3.983 659 HG2 ARG 85 1HG ARG 85 2.512 1.991 5.931 660 HG3 ARG 85 2HG ARG 85 3.376 0.452 5.962 661 HD2 ARG 85 1HD ARG 85 5.314 1.398 6.713 662 HD3 ARG 85 2HD ARG 85 4.987 2.945 5.933 663 HE ARG 85 HE ARG 85 3.108 2.852 7.858 664 HH11 ARG 85 1HH1 ARG 85 6.551 2.341 7.899 665 HH12 ARG 85 2HH1 ARG 85 6.747 2.902 9.527 666 HH21 ARG 85 1HH2 ARG 85 3.353 3.593 10.002 667 HH22 ARG 85 2HH2 ARG 85 4.927 3.613 10.722 668 H ILE 86 H ILE 86 0.617 2.444 2.243 669 HA ILE 86 HA ILE 86 2.228 3.207 -0.105 670 HB ILE 86 HB ILE 86 0.367 1.664 -0.634 671 HG12 ILE 86 1HG1 ILE 86 -0.081 4.456 -1.709 672 HG13 ILE 86 2HG1 ILE 86 1.185 3.366 -2.262 673 HG21 ILE 86 1HG2 ILE 86 -1.072 3.428 1.097 674 HG22 ILE 86 2HG2 ILE 86 -1.853 3.387 -0.483 675 HG23 ILE 86 3HG2 ILE 86 -1.581 1.888 0.405 676 HD11 ILE 86 3HD1 ILE 86 -0.456 3.080 -3.848 677 HD12 ILE 86 1HD1 ILE 86 -0.773 1.743 -2.742 678 HD13 ILE 86 2HD1 ILE 86 -1.763 3.201 -2.671 679 H GLN 87 H GLN 87 1.594 5.253 -1.143 680 HA GLN 87 HA GLN 87 0.250 7.172 0.598 681 HB2 GLN 87 1HB GLN 87 2.105 8.804 0.320 682 HB3 GLN 87 2HB GLN 87 2.549 7.399 1.279 683 HG2 GLN 87 1HG GLN 87 3.533 6.430 -0.838 684 HG3 GLN 87 2HG GLN 87 3.320 8.028 -1.552 685 HE21 GLN 87 1HE2 GLN 87 3.867 9.398 0.959 686 HE22 GLN 87 2HE2 GLN 87 5.573 9.289 1.205 687 H ALA 88 H ALA 88 0.452 9.454 -0.649 688 HA ALA 88 HA ALA 88 -0.263 8.914 -3.458 689 HB1 ALA 88 3HB ALA 88 -2.062 9.659 -1.635 690 HB2 ALA 88 1HB ALA 88 -1.471 11.253 -2.106 691 HB3 ALA 88 2HB ALA 88 -2.147 10.169 -3.321 692 H ARG 89 H ARG 89 0.577 10.229 -5.002 693 HA ARG 89 HA ARG 89 2.130 12.566 -4.130 694 HB2 ARG 89 1HB ARG 89 3.800 10.908 -4.443 695 HB3 ARG 89 2HB ARG 89 3.044 10.319 -5.917 696 HG2 ARG 89 1HG ARG 89 3.560 12.576 -6.930 697 HG3 ARG 89 2HG ARG 89 4.561 12.877 -5.508 698 HD2 ARG 89 1HD ARG 89 6.028 11.115 -6.041 699 HD3 ARG 89 2HD ARG 89 4.903 10.425 -7.210 700 HE ARG 89 HE ARG 89 5.732 11.854 -8.790 701 HH11 ARG 89 1HH1 ARG 89 6.653 12.999 -5.634 702 HH12 ARG 89 2HH1 ARG 89 7.690 14.246 -6.245 703 HH21 ARG 89 1HH2 ARG 89 7.094 13.491 -9.607 704 HH22 ARG 89 2HH2 ARG 89 7.939 14.525 -8.505 705 H ASN 90 H ASN 90 1.911 14.338 -5.379 706 HA ASN 90 HA ASN 90 0.447 14.036 -7.919 707 HB2 ASN 90 1HB ASN 90 -0.424 16.387 -7.403 708 HB3 ASN 90 2HB ASN 90 -1.090 15.064 -6.450 709 HD21 ASN 90 1HD2 ASN 90 -1.657 16.358 -4.737 710 HD22 ASN 90 2HD2 ASN 90 -0.494 17.078 -3.681 711 H SER 91 H SER 91 0.746 15.970 -9.384 712 HA SER 91 HA SER 91 3.244 16.221 -10.338 713 HB2 SER 91 1HB SER 91 1.312 17.204 -11.466 714 HB3 SER 91 2HB SER 91 1.200 18.452 -10.225 715 HG SER 91 HG SER 91 2.826 19.487 -11.104 716 H LYS 92 H LYS 92 1.985 17.832 -7.518 717 HA LYS 92 HA LYS 92 4.131 19.701 -7.245 718 HB2 LYS 92 1HB LYS 92 2.343 18.741 -5.018 719 HB3 LYS 92 2HB LYS 92 3.152 20.296 -5.168 720 HG2 LYS 92 1HG LYS 92 1.173 19.540 -7.249 721 HG3 LYS 92 2HG LYS 92 0.579 20.016 -5.657 722 HD2 LYS 92 1HD LYS 92 2.112 22.057 -5.909 723 HD3 LYS 92 2HD LYS 92 2.194 21.619 -7.617 724 HE2 LYS 92 1HE LYS 92 -0.382 22.062 -6.118 725 HE3 LYS 92 2HE LYS 92 0.443 23.318 -7.040 726 HZ1 LYS 92 3HZ LYS 92 -1.258 22.324 -8.383 727 HZ2 LYS 92 1HZ LYS 92 -0.644 20.771 -8.110 728 HZ3 LYS 92 2HZ LYS 92 0.249 21.886 -9.014 729 H GLY 93 H GLY 93 3.230 17.048 -5.035 730 HA2 GLY 93 1HA GLY 93 5.897 15.964 -5.060 731 HA3 GLY 93 2HA GLY 93 5.530 16.856 -3.591 732 H VAL 94 H VAL 94 5.839 14.849 -2.457 733 HA VAL 94 HA VAL 94 3.485 13.083 -2.642 734 HB VAL 94 HB VAL 94 5.448 11.868 -3.396 735 HG11 VAL 94 1HG1 VAL 94 6.888 13.420 -1.726 736 HG12 VAL 94 2HG1 VAL 94 6.809 11.930 -0.784 737 HG13 VAL 94 3HG1 VAL 94 7.478 11.909 -2.416 738 HG21 VAL 94 3HG2 VAL 94 4.765 10.011 -2.360 739 HG22 VAL 94 1HG2 VAL 94 5.287 10.605 -0.783 740 HG23 VAL 94 2HG2 VAL 94 3.704 11.057 -1.415 741 H GLY 95 H GLY 95 2.516 12.441 -0.740 742 HA2 GLY 95 1HA GLY 95 3.259 14.027 1.611 743 HA3 GLY 95 2HA GLY 95 1.714 13.233 1.348 744 HA PRO 96 HA PRO 96 4.070 10.685 4.392 745 HB2 PRO 96 1HB PRO 96 1.931 10.227 6.000 746 HB3 PRO 96 2HB PRO 96 2.951 11.664 6.144 747 HG2 PRO 96 1HG PRO 96 0.297 11.351 4.794 748 HG3 PRO 96 2HG PRO 96 0.877 12.668 5.830 749 HD2 PRO 96 1HD PRO 96 0.830 12.853 3.129 750 HD3 PRO 96 2HD PRO 96 2.061 13.661 4.120 751 H LEU 97 H LEU 97 2.928 8.542 5.483 752 HA LEU 97 HA LEU 97 1.674 7.071 3.263 753 HB2 LEU 97 1HB LEU 97 3.635 5.824 5.162 754 HB3 LEU 97 2HB LEU 97 3.040 5.192 3.629 755 HG LEU 97 HG LEU 97 4.282 7.367 2.713 756 HD11 LEU 97 1HD1 LEU 97 6.434 7.595 3.952 757 HD12 LEU 97 2HD1 LEU 97 5.717 6.660 5.264 758 HD13 LEU 97 3HD1 LEU 97 5.028 8.220 4.815 759 HD21 LEU 97 3HD2 LEU 97 5.061 4.569 3.152 760 HD22 LEU 97 1HD2 LEU 97 6.395 5.674 2.818 761 HD23 LEU 97 2HD2 LEU 97 5.061 5.533 1.674 762 H SER 98 H SER 98 0.559 5.070 3.972 763 HA SER 98 HA SER 98 -1.082 5.646 6.269 764 HB2 SER 98 1HB SER 98 -1.772 4.575 3.981 765 HB3 SER 98 2HB SER 98 -1.239 3.072 4.735 766 HG SER 98 HG SER 98 -3.474 3.485 5.073 767 H ASP 99 H ASP 99 -1.664 3.693 7.718 768 HA ASP 99 HA ASP 99 0.668 2.995 9.177 769 HB2 ASP 99 1HB ASP 99 -2.216 2.135 9.390 770 HB3 ASP 99 2HB ASP 99 -0.969 1.535 10.479 771 HA PRO 100 HA PRO 100 1.906 -0.763 7.271 772 HB2 PRO 100 1HB PRO 100 2.998 -2.048 9.398 773 HB3 PRO 100 2HB PRO 100 3.772 -0.669 8.608 774 HG2 PRO 100 1HG PRO 100 2.139 -0.744 11.116 775 HG3 PRO 100 2HG PRO 100 3.646 0.131 10.788 776 HD2 PRO 100 1HD PRO 100 1.220 1.333 10.725 777 HD3 PRO 100 2HD PRO 100 2.562 1.835 9.677 778 H ILE 101 H ILE 101 0.434 -2.202 6.612 779 HA ILE 101 HA ILE 101 -1.421 -3.397 8.507 780 HB ILE 101 HB ILE 101 -1.241 -3.846 5.527 781 HG12 ILE 101 1HG1 ILE 101 -2.850 -1.851 7.130 782 HG13 ILE 101 2HG1 ILE 101 -1.638 -1.500 5.902 783 HG21 ILE 101 1HG2 ILE 101 -3.133 -5.078 5.665 784 HG22 ILE 101 2HG2 ILE 101 -2.547 -5.370 7.302 785 HG23 ILE 101 3HG2 ILE 101 -3.777 -4.140 7.012 786 HD11 ILE 101 3HD1 ILE 101 -4.052 -1.231 5.226 787 HD12 ILE 101 1HD1 ILE 101 -3.048 -2.219 4.165 788 HD13 ILE 101 2HD1 ILE 101 -4.169 -2.989 5.290 789 H LEU 102 H LEU 102 -1.354 -5.448 9.221 790 HA LEU 102 HA LEU 102 0.962 -7.060 8.461 791 HB2 LEU 102 1HB LEU 102 -0.846 -6.927 10.812 792 HB3 LEU 102 2HB LEU 102 -0.105 -8.481 10.436 793 HG LEU 102 HG LEU 102 2.127 -7.321 10.536 794 HD11 LEU 102 1HD1 LEU 102 0.493 -5.115 11.782 795 HD12 LEU 102 2HD1 LEU 102 1.299 -5.035 10.215 796 HD13 LEU 102 3HD1 LEU 102 2.253 -5.191 11.690 797 HD21 LEU 102 3HD2 LEU 102 0.321 -8.004 12.720 798 HD22 LEU 102 1HD2 LEU 102 1.606 -6.894 13.198 799 HD23 LEU 102 2HD2 LEU 102 2.009 -8.446 12.463 800 H PHE 103 H PHE 103 0.565 -8.246 6.690 801 HA PHE 103 HA PHE 103 -1.790 -10.006 6.746 802 HB2 PHE 103 1HB PHE 103 -2.344 -8.317 5.143 803 HB3 PHE 103 2HB PHE 103 -0.749 -8.410 4.404 804 HD1 PHE 103 1HD PHE 103 -4.022 -10.010 4.712 805 HD2 PHE 103 2HD PHE 103 -0.186 -10.186 2.875 806 HE1 PHE 103 1HE PHE 103 -4.873 -11.663 3.100 807 HE2 PHE 103 2HE PHE 103 -1.031 -11.838 1.260 808 HZ PHE 103 HZ PHE 103 -3.378 -12.578 1.370 809 H ARG 104 H ARG 104 -1.147 -12.045 6.820 810 HA ARG 104 HA ARG 104 1.527 -12.777 5.964 811 HB2 ARG 104 1HB ARG 104 0.186 -13.588 8.083 812 HB3 ARG 104 2HB ARG 104 -0.472 -14.767 6.956 813 HG2 ARG 104 1HG ARG 104 1.515 -15.864 6.723 814 HG3 ARG 104 2HG ARG 104 2.476 -14.423 7.064 815 HD2 ARG 104 1HD ARG 104 2.800 -15.599 9.001 816 HD3 ARG 104 2HD ARG 104 1.380 -14.652 9.441 817 HE ARG 104 HE ARG 104 0.440 -17.017 8.360 818 HH11 ARG 104 1HH1 ARG 104 2.392 -16.037 11.071 819 HH12 ARG 104 2HH1 ARG 104 1.918 -17.376 12.063 820 HH21 ARG 104 1HH2 ARG 104 -0.192 -18.783 9.657 821 HH22 ARG 104 2HH2 ARG 104 0.448 -18.938 11.257 822 H THR 105 H THR 105 2.033 -13.785 4.124 823 HA THR 105 HA THR 105 0.115 -14.081 2.058 824 HB THR 105 HB THR 105 2.063 -15.354 0.915 825 HG1 THR 105 1HG THR 105 4.078 -14.993 1.921 826 HG21 THR 105 3HG2 THR 105 2.986 -12.637 1.638 827 HG22 THR 105 1HG2 THR 105 1.366 -12.762 0.953 828 HG23 THR 105 2HG2 THR 105 2.754 -13.370 0.051 829 H LEU 106 H LEU 106 -0.389 -16.057 0.896 830 HA LEU 106 HA LEU 106 -1.477 -18.049 2.479 831 HB2 LEU 106 1HB LEU 106 -0.856 -17.749 -0.396 832 HB3 LEU 106 2HB LEU 106 -1.147 -19.389 0.179 833 HG LEU 106 HG LEU 106 -3.087 -17.114 0.564 834 HD11 LEU 106 1HD1 LEU 106 -3.121 -17.324 -1.730 835 HD12 LEU 106 2HD1 LEU 106 -4.344 -18.498 -1.245 836 HD13 LEU 106 3HD1 LEU 106 -2.726 -19.042 -1.687 837 HD21 LEU 106 3HD2 LEU 106 -4.255 -19.708 0.512 838 HD22 LEU 106 1HD2 LEU 106 -4.207 -18.543 1.836 839 HD23 LEU 106 2HD2 LEU 106 -2.908 -19.722 1.652 840 H LYS 107 H LYS 107 -0.857 -20.502 1.910 841 HA LYS 107 HA LYS 107 2.033 -20.823 2.365 842 HB2 LYS 107 1HB LYS 107 -0.135 -22.386 3.778 843 HB3 LYS 107 2HB LYS 107 1.600 -22.546 4.021 844 HG2 LYS 107 1HG LYS 107 1.062 -21.245 5.809 845 HG3 LYS 107 2HG LYS 107 1.418 -19.991 4.618 846 HD2 LYS 107 1HD LYS 107 -0.600 -19.299 5.563 847 HD3 LYS 107 2HD LYS 107 -1.093 -20.095 4.066 848 HE2 LYS 107 1HE LYS 107 -2.567 -20.885 5.728 849 HE3 LYS 107 2HE LYS 107 -1.415 -22.191 5.453 850 HZ1 LYS 107 3HZ LYS 107 -0.897 -22.139 7.589 851 HZ2 LYS 107 1HZ LYS 107 -2.012 -20.894 7.854 852 HZ3 LYS 107 2HZ LYS 107 -0.407 -20.525 7.467 853 H VAL 108 H VAL 108 3.001 -22.510 1.336 854 HA VAL 108 HA VAL 108 1.267 -24.183 -0.363 855 HB VAL 108 HB VAL 108 3.093 -24.324 -1.972 856 HG11 VAL 108 1HG1 VAL 108 2.942 -22.123 -2.873 857 HG12 VAL 108 2HG1 VAL 108 1.413 -22.465 -2.061 858 HG13 VAL 108 3HG1 VAL 108 2.614 -21.431 -1.285 859 HG21 VAL 108 3HG2 VAL 108 4.557 -22.805 0.134 860 HG22 VAL 108 1HG2 VAL 108 5.094 -24.160 -0.859 861 HG23 VAL 108 2HG2 VAL 108 4.978 -22.545 -1.558 862 H SER 109 H SER 109 3.731 -24.116 2.028 863 HA SER 109 HA SER 109 4.933 -25.728 3.099 864 HB2 SER 109 1HB SER 109 2.539 -26.432 3.552 865 HB3 SER 109 2HB SER 109 2.721 -27.603 2.246 866 HG SER 109 HG SER 109 3.582 -28.842 3.696 867 H GLY 110 H GLY 110 5.929 -25.269 0.616 868 HA2 GLY 110 1HA GLY 110 7.419 -26.189 -0.873 869 HA3 GLY 110 2HA GLY 110 7.351 -27.663 0.082 870 HA PRO 111 HA PRO 111 4.673 -27.747 -3.961 871 HB2 PRO 111 1HB PRO 111 6.506 -28.056 -5.939 872 HB3 PRO 111 2HB PRO 111 5.881 -26.477 -5.446 873 HG2 PRO 111 1HG PRO 111 8.453 -27.814 -4.699 874 HG3 PRO 111 2HG PRO 111 8.160 -26.123 -5.146 875 HD2 PRO 111 1HD PRO 111 8.441 -26.922 -2.574 876 HD3 PRO 111 2HD PRO 111 7.392 -25.570 -3.044 877 H SER 112 H SER 112 3.900 -29.756 -3.829 878 HA SER 112 HA SER 112 5.681 -32.019 -3.484 879 HB2 SER 112 1HB SER 112 3.589 -31.857 -2.170 880 HB3 SER 112 2HB SER 112 2.659 -31.944 -3.666 881 HG SER 112 HG SER 112 2.770 -34.018 -3.385 882 H SER 113 H SER 113 6.545 -33.016 -5.167 883 HA SER 113 HA SER 113 5.512 -32.667 -7.827 884 HB2 SER 113 1HB SER 113 7.989 -32.909 -7.084 885 HB3 SER 113 2HB SER 113 7.659 -34.641 -7.095 886 HG SER 113 HG SER 113 8.464 -33.489 -9.114 887 H GLY 114 H GLY 114 3.672 -33.707 -8.311 888 HA2 GLY 114 1HA GLY 114 3.386 -36.513 -7.459 889 HA3 GLY 114 2HA GLY 114 2.061 -35.452 -7.913 Start of MODEL 7 1 H1 GLY 1 H GLY 1 5.213 31.462 1.912 2 HA2 GLY 1 1HA GLY 1 7.399 32.601 1.340 3 HA3 GLY 1 2HA GLY 1 7.584 30.987 2.009 4 H SER 2 H SER 2 9.669 31.125 0.850 5 HA SER 2 HA SER 2 10.049 31.357 -1.851 6 HB2 SER 2 1HB SER 2 11.415 29.689 0.237 7 HB3 SER 2 2HB SER 2 11.900 29.552 -1.453 8 HG SER 2 HG SER 2 11.653 32.126 -0.448 9 H SER 3 H SER 3 9.217 28.381 -0.089 10 HA SER 3 HA SER 3 9.086 26.718 -2.361 11 HB2 SER 3 1HB SER 3 7.615 26.399 0.267 12 HB3 SER 3 2HB SER 3 7.931 25.127 -0.913 13 HG SER 3 HG SER 3 9.425 25.622 1.066 14 H GLY 4 H GLY 4 7.221 25.808 -3.395 15 HA2 GLY 4 1HA GLY 4 4.727 27.324 -3.116 16 HA3 GLY 4 2HA GLY 4 5.509 27.307 -4.689 17 H SER 5 H SER 5 6.390 24.684 -4.809 18 HA SER 5 HA SER 5 3.890 23.342 -5.368 19 HB2 SER 5 1HB SER 5 6.747 22.429 -5.788 20 HB3 SER 5 2HB SER 5 5.310 21.610 -6.400 21 HG SER 5 HG SER 5 6.595 23.308 -7.729 22 H SER 6 H SER 6 2.925 22.653 -3.523 23 HA SER 6 HA SER 6 4.502 20.918 -1.739 24 HB2 SER 6 1HB SER 6 2.104 22.669 -1.197 25 HB3 SER 6 2HB SER 6 2.629 21.414 -0.075 26 HG SER 6 HG SER 6 3.571 23.381 0.489 27 H GLY 7 H GLY 7 4.025 18.823 -1.718 28 HA2 GLY 7 1HA GLY 7 1.889 17.794 -3.328 29 HA3 GLY 7 2HA GLY 7 3.003 16.852 -2.348 30 HA PRO 8 HA PRO 8 -1.212 16.621 -0.420 31 HB2 PRO 8 1HB PRO 8 -1.170 13.928 -0.079 32 HB3 PRO 8 2HB PRO 8 -1.723 14.699 -1.570 33 HG2 PRO 8 1HG PRO 8 0.933 13.465 -0.948 34 HG3 PRO 8 2HG PRO 8 -0.047 13.328 -2.420 35 HD2 PRO 8 1HD PRO 8 2.081 14.992 -2.236 36 HD3 PRO 8 2HD PRO 8 0.659 15.367 -3.230 37 H THR 9 H THR 9 -1.700 16.275 1.754 38 HA THR 9 HA THR 9 0.638 15.815 3.484 39 HB THR 9 HB THR 9 -0.538 17.108 5.211 40 HG1 THR 9 1HG THR 9 -2.489 17.577 3.183 41 HG21 THR 9 3HG2 THR 9 -0.228 19.273 4.261 42 HG22 THR 9 1HG2 THR 9 -0.507 18.667 2.629 43 HG23 THR 9 2HG2 THR 9 0.954 18.206 3.504 44 H SER 10 H SER 10 -1.967 14.231 2.345 45 HA SER 10 HA SER 10 -2.279 12.676 4.829 46 HB2 SER 10 1HB SER 10 -4.316 14.035 4.151 47 HB3 SER 10 2HB SER 10 -4.434 12.991 2.735 48 HG SER 10 HG SER 10 -5.253 12.520 5.243 49 H ALA 11 H ALA 11 -3.344 10.443 4.205 50 HA ALA 11 HA ALA 11 -1.823 9.370 1.917 51 HB1 ALA 11 3HB ALA 11 -1.807 8.606 4.684 52 HB2 ALA 11 1HB ALA 11 -2.350 7.259 3.683 53 HB3 ALA 11 2HB ALA 11 -0.797 8.030 3.358 54 HA PRO 12 HA PRO 12 -5.445 7.554 0.231 55 HB2 PRO 12 1HB PRO 12 -4.686 5.023 -0.392 56 HB3 PRO 12 2HB PRO 12 -4.117 6.443 -1.279 57 HG2 PRO 12 1HG PRO 12 -2.748 4.880 0.877 58 HG3 PRO 12 2HG PRO 12 -2.080 5.523 -0.635 59 HD2 PRO 12 1HD PRO 12 -1.725 6.751 1.752 60 HD3 PRO 12 2HD PRO 12 -1.845 7.648 0.225 61 H LYS 13 H LYS 13 -7.048 5.774 0.411 62 HA LYS 13 HA LYS 13 -7.030 4.511 3.070 63 HB2 LYS 13 1HB LYS 13 -9.445 4.951 3.253 64 HB3 LYS 13 2HB LYS 13 -8.515 6.440 3.154 65 HG2 LYS 13 1HG LYS 13 -9.047 6.235 0.596 66 HG3 LYS 13 2HG LYS 13 -10.378 5.230 1.176 67 HD2 LYS 13 1HD LYS 13 -11.347 7.328 1.135 68 HD3 LYS 13 2HD LYS 13 -10.803 7.214 2.810 69 HE2 LYS 13 1HE LYS 13 -8.954 8.368 0.781 70 HE3 LYS 13 2HE LYS 13 -10.307 9.349 1.343 71 HZ1 LYS 13 3HZ LYS 13 -7.928 8.472 2.775 72 HZ2 LYS 13 1HZ LYS 13 -9.369 8.501 3.661 73 HZ3 LYS 13 2HZ LYS 13 -8.807 9.911 2.914 74 H ASP 14 H ASP 14 -9.121 2.946 3.075 75 HA ASP 14 HA ASP 14 -9.935 0.943 2.366 76 HB2 ASP 14 1HB ASP 14 -10.847 2.501 0.571 77 HB3 ASP 14 2HB ASP 14 -9.521 1.949 -0.448 78 H LEU 15 H LEU 15 -7.011 1.375 2.655 79 HA LEU 15 HA LEU 15 -5.666 -0.152 0.670 80 HB2 LEU 15 1HB LEU 15 -4.516 1.475 2.080 81 HB3 LEU 15 2HB LEU 15 -4.865 0.497 3.504 82 HG LEU 15 HG LEU 15 -3.443 -1.301 2.562 83 HD11 LEU 15 1HD1 LEU 15 -3.531 0.423 0.251 84 HD12 LEU 15 2HD1 LEU 15 -2.985 -1.247 0.390 85 HD13 LEU 15 3HD1 LEU 15 -1.869 0.076 0.728 86 HD21 LEU 15 3HD2 LEU 15 -1.458 -0.377 3.315 87 HD22 LEU 15 1HD2 LEU 15 -2.670 0.649 4.083 88 HD23 LEU 15 2HD2 LEU 15 -1.823 1.213 2.642 89 H THR 16 H THR 16 -6.253 -2.204 0.324 90 HA THR 16 HA THR 16 -6.237 -4.032 2.628 91 HB THR 16 HB THR 16 -8.157 -4.330 0.318 92 HG1 THR 16 1HG THR 16 -8.367 -2.461 2.008 93 HG21 THR 16 3HG2 THR 16 -8.063 -6.417 1.243 94 HG22 THR 16 1HG2 THR 16 -9.267 -5.697 2.311 95 HG23 THR 16 2HG2 THR 16 -7.586 -5.813 2.829 96 H VAL 17 H VAL 17 -5.191 -5.934 2.327 97 HA VAL 17 HA VAL 17 -4.075 -6.430 -0.358 98 HB VAL 17 HB VAL 17 -2.834 -7.064 2.323 99 HG11 VAL 17 1HG1 VAL 17 -2.472 -8.669 0.325 100 HG12 VAL 17 2HG1 VAL 17 -1.463 -7.372 -0.320 101 HG13 VAL 17 3HG1 VAL 17 -1.071 -8.106 1.236 102 HG21 VAL 17 3HG2 VAL 17 -2.167 -4.931 2.195 103 HG22 VAL 17 1HG2 VAL 17 -1.081 -5.488 0.923 104 HG23 VAL 17 2HG2 VAL 17 -2.645 -4.789 0.504 105 H ILE 18 H ILE 18 -4.886 -8.176 -1.294 106 HA ILE 18 HA ILE 18 -5.609 -10.477 0.400 107 HB ILE 18 HB ILE 18 -7.383 -11.017 -1.258 108 HG12 ILE 18 1HG1 ILE 18 -7.155 -8.190 -2.248 109 HG13 ILE 18 2HG1 ILE 18 -6.236 -9.480 -3.018 110 HG21 ILE 18 1HG2 ILE 18 -8.029 -8.290 -0.274 111 HG22 ILE 18 2HG2 ILE 18 -8.955 -9.785 -0.155 112 HG23 ILE 18 3HG2 ILE 18 -7.575 -9.517 0.909 113 HD11 ILE 18 3HD1 ILE 18 -9.227 -9.298 -2.763 114 HD12 ILE 18 1HD1 ILE 18 -8.268 -9.111 -4.231 115 HD13 ILE 18 2HD1 ILE 18 -8.356 -10.679 -3.429 116 H THR 19 H THR 19 -5.111 -12.510 -0.364 117 HA THR 19 HA THR 19 -2.964 -12.647 -2.262 118 HB THR 19 HB THR 19 -3.020 -14.100 -0.264 119 HG1 THR 19 1HG THR 19 -2.842 -15.110 -2.872 120 HG21 THR 19 3HG2 THR 19 -4.896 -16.025 -1.424 121 HG22 THR 19 1HG2 THR 19 -5.651 -14.521 -0.901 122 HG23 THR 19 2HG2 THR 19 -4.716 -15.483 0.244 123 H ARG 20 H ARG 20 -3.020 -13.221 -4.353 124 HA ARG 20 HA ARG 20 -5.337 -13.138 -5.862 125 HB2 ARG 20 1HB ARG 20 -2.792 -13.083 -6.534 126 HB3 ARG 20 2HB ARG 20 -3.036 -14.805 -6.796 127 HG2 ARG 20 1HG ARG 20 -3.508 -14.046 -8.880 128 HG3 ARG 20 2HG ARG 20 -5.119 -13.929 -8.171 129 HD2 ARG 20 1HD ARG 20 -4.232 -11.524 -7.491 130 HD3 ARG 20 2HD ARG 20 -3.191 -11.786 -8.890 131 HE ARG 20 HE ARG 20 -6.047 -11.351 -8.897 132 HH11 ARG 20 1HH1 ARG 20 -3.279 -12.504 -10.666 133 HH12 ARG 20 2HH1 ARG 20 -4.024 -12.303 -12.217 134 HH21 ARG 20 1HH2 ARG 20 -7.038 -11.082 -10.934 135 HH22 ARG 20 2HH2 ARG 20 -6.162 -11.494 -12.368 136 H GLU 21 H GLU 21 -6.865 -14.566 -6.459 137 HA GLU 21 HA GLU 21 -7.114 -17.017 -5.045 138 HB2 GLU 21 1HB GLU 21 -9.231 -17.150 -5.934 139 HB3 GLU 21 2HB GLU 21 -8.933 -15.423 -6.079 140 HG2 GLU 21 1HG GLU 21 -8.015 -16.133 -8.445 141 HG3 GLU 21 2HG GLU 21 -9.085 -17.509 -8.184 142 H GLY 22 H GLY 22 -5.223 -16.244 -7.639 143 HA2 GLY 22 1HA GLY 22 -5.227 -19.046 -8.576 144 HA3 GLY 22 2HA GLY 22 -5.033 -17.695 -9.683 145 H LYS 23 H LYS 23 -3.472 -16.669 -7.053 146 HA LYS 23 HA LYS 23 -1.000 -18.157 -7.459 147 HB2 LYS 23 1HB LYS 23 -1.338 -15.230 -8.086 148 HB3 LYS 23 2HB LYS 23 0.231 -15.923 -7.698 149 HG2 LYS 23 1HG LYS 23 -1.450 -17.105 -9.869 150 HG3 LYS 23 2HG LYS 23 -0.465 -15.671 -10.169 151 HD2 LYS 23 1HD LYS 23 0.791 -18.030 -8.848 152 HD3 LYS 23 2HD LYS 23 0.490 -18.089 -10.587 153 HE2 LYS 23 1HE LYS 23 2.610 -17.204 -10.537 154 HE3 LYS 23 2HE LYS 23 1.634 -15.736 -10.559 155 HZ1 LYS 23 3HZ LYS 23 2.486 -15.135 -8.621 156 HZ2 LYS 23 1HZ LYS 23 3.529 -16.466 -8.680 157 HZ3 LYS 23 2HZ LYS 23 2.036 -16.596 -7.897 158 HA PRO 24 HA PRO 24 -1.130 -17.430 -3.058 159 HB2 PRO 24 1HB PRO 24 1.079 -18.899 -2.481 160 HB3 PRO 24 2HB PRO 24 -0.494 -19.626 -2.829 161 HG2 PRO 24 1HG PRO 24 1.867 -19.267 -4.634 162 HG3 PRO 24 2HG PRO 24 0.804 -20.674 -4.449 163 HD2 PRO 24 1HD PRO 24 0.549 -18.913 -6.490 164 HD3 PRO 24 2HD PRO 24 -0.840 -19.765 -5.785 165 H ARG 25 H ARG 25 1.846 -17.142 -4.976 166 HA ARG 25 HA ARG 25 3.082 -15.392 -3.044 167 HB2 ARG 25 1HB ARG 25 4.070 -15.777 -5.852 168 HB3 ARG 25 2HB ARG 25 4.994 -15.474 -4.386 169 HG2 ARG 25 1HG ARG 25 4.183 -17.781 -3.626 170 HG3 ARG 25 2HG ARG 25 3.738 -18.027 -5.316 171 HD2 ARG 25 1HD ARG 25 5.934 -17.959 -6.040 172 HD3 ARG 25 2HD ARG 25 6.478 -17.058 -4.625 173 HE ARG 25 HE ARG 25 5.742 -19.394 -3.542 174 HH11 ARG 25 1HH1 ARG 25 7.713 -18.641 -6.311 175 HH12 ARG 25 2HH1 ARG 25 8.702 -20.056 -6.156 176 HH21 ARG 25 1HH2 ARG 25 7.037 -21.260 -3.326 177 HH22 ARG 25 2HH2 ARG 25 8.315 -21.545 -4.458 178 H ALA 26 H ALA 26 0.603 -14.872 -5.010 179 HA ALA 26 HA ALA 26 1.462 -12.156 -5.765 180 HB1 ALA 26 3HB ALA 26 0.003 -12.197 -7.591 181 HB2 ALA 26 1HB ALA 26 0.732 -13.803 -7.581 182 HB3 ALA 26 2HB ALA 26 -0.901 -13.571 -6.954 183 H VAL 27 H VAL 27 0.291 -10.416 -5.100 184 HA VAL 27 HA VAL 27 -2.210 -10.879 -3.642 185 HB VAL 27 HB VAL 27 -1.475 -9.280 -1.871 186 HG11 VAL 27 1HG1 VAL 27 0.522 -11.384 -1.569 187 HG12 VAL 27 2HG1 VAL 27 -0.906 -11.027 -0.596 188 HG13 VAL 27 3HG1 VAL 27 -1.058 -11.986 -2.068 189 HG21 VAL 27 3HG2 VAL 27 0.598 -8.373 -1.770 190 HG22 VAL 27 1HG2 VAL 27 1.368 -9.784 -2.496 191 HG23 VAL 27 2HG2 VAL 27 0.536 -8.610 -3.516 192 H ILE 28 H ILE 28 -3.708 -9.290 -3.873 193 HA ILE 28 HA ILE 28 -3.015 -7.107 -5.701 194 HB ILE 28 HB ILE 28 -5.806 -7.826 -4.850 195 HG12 ILE 28 1HG1 ILE 28 -4.835 -9.892 -5.666 196 HG13 ILE 28 2HG1 ILE 28 -5.930 -9.250 -6.886 197 HG21 ILE 28 1HG2 ILE 28 -5.261 -6.940 -7.583 198 HG22 ILE 28 2HG2 ILE 28 -6.477 -6.389 -6.432 199 HG23 ILE 28 3HG2 ILE 28 -4.831 -5.761 -6.344 200 HD11 ILE 28 3HD1 ILE 28 -4.249 -9.639 -8.295 201 HD12 ILE 28 1HD1 ILE 28 -3.556 -8.156 -7.639 202 HD13 ILE 28 2HD1 ILE 28 -3.054 -9.721 -7.001 203 H VAL 29 H VAL 29 -2.209 -5.472 -4.483 204 HA VAL 29 HA VAL 29 -3.504 -4.697 -2.003 205 HB VAL 29 HB VAL 29 -1.174 -3.397 -3.421 206 HG11 VAL 29 1HG1 VAL 29 -2.749 -2.438 -1.345 207 HG12 VAL 29 2HG1 VAL 29 -1.313 -3.084 -0.549 208 HG13 VAL 29 3HG1 VAL 29 -1.149 -1.861 -1.809 209 HG21 VAL 29 3HG2 VAL 29 -0.203 -4.651 -1.172 210 HG22 VAL 29 1HG2 VAL 29 -1.372 -5.810 -1.804 211 HG23 VAL 29 2HG2 VAL 29 -0.055 -5.239 -2.827 212 H SER 30 H SER 30 -5.392 -3.663 -2.278 213 HA SER 30 HA SER 30 -5.634 -1.645 -4.383 214 HB2 SER 30 1HB SER 30 -8.011 -1.751 -4.024 215 HB3 SER 30 2HB SER 30 -7.406 -3.406 -4.091 216 HG SER 30 HG SER 30 -8.198 -3.669 -2.176 217 H TRP 31 H TRP 31 -7.026 0.312 -3.708 218 HA TRP 31 HA TRP 31 -6.983 1.247 -1.054 219 HB2 TRP 31 1HB TRP 31 -5.213 2.925 -1.182 220 HB3 TRP 31 2HB TRP 31 -4.546 1.313 -1.426 221 HD1 TRP 31 HD TRP 31 -5.370 4.524 -3.377 222 HE1 TRP 31 1HE TRP 31 -3.969 4.542 -5.536 223 HE3 TRP 31 3HE TRP 31 -3.317 -0.146 -3.050 224 HZ2 TRP 31 2HZ TRP 31 -2.226 2.805 -6.919 225 HZ3 TRP 31 3HZ TRP 31 -1.794 -0.892 -4.833 226 HH2 TRP 31 HH TRP 31 -1.261 0.554 -6.726 227 H GLN 32 H GLN 32 -6.977 3.894 -1.232 228 HA GLN 32 HA GLN 32 -8.578 4.657 -3.561 229 HB2 GLN 32 1HB GLN 32 -9.497 4.524 -0.746 230 HB3 GLN 32 2HB GLN 32 -9.966 5.955 -1.654 231 HG2 GLN 32 1HG GLN 32 -10.383 3.382 -3.018 232 HG3 GLN 32 2HG GLN 32 -11.384 3.675 -1.597 233 HE21 GLN 32 1HE2 GLN 32 -11.111 4.126 -4.873 234 HE22 GLN 32 2HE2 GLN 32 -12.285 5.376 -5.077 235 HA PRO 33 HA PRO 33 -6.451 8.488 -3.398 236 HB2 PRO 33 1HB PRO 33 -8.381 10.284 -4.043 237 HB3 PRO 33 2HB PRO 33 -7.688 9.157 -5.214 238 HG2 PRO 33 1HG PRO 33 -10.261 8.967 -3.697 239 HG3 PRO 33 2HG PRO 33 -9.939 8.604 -5.402 240 HD2 PRO 33 1HD PRO 33 -10.125 6.674 -3.512 241 HD3 PRO 33 2HD PRO 33 -9.059 6.528 -4.924 242 HA PRO 34 HA PRO 34 -7.023 10.089 0.698 243 HB2 PRO 34 1HB PRO 34 -5.182 12.079 0.550 244 HB3 PRO 34 2HB PRO 34 -4.744 10.376 0.730 245 HG2 PRO 34 1HG PRO 34 -4.791 12.069 -1.739 246 HG3 PRO 34 2HG PRO 34 -3.573 10.893 -1.211 247 HD2 PRO 34 1HD PRO 34 -5.446 10.313 -3.078 248 HD3 PRO 34 2HD PRO 34 -4.804 9.094 -1.959 249 H LEU 35 H LEU 35 -7.840 11.948 1.756 250 HA LEU 35 HA LEU 35 -9.681 13.469 0.211 251 HB2 LEU 35 1HB LEU 35 -8.908 13.286 3.066 252 HB3 LEU 35 2HB LEU 35 -9.711 14.765 2.543 253 HG LEU 35 HG LEU 35 -11.222 13.040 3.532 254 HD11 LEU 35 1HD1 LEU 35 -12.786 13.087 1.419 255 HD12 LEU 35 2HD1 LEU 35 -11.561 14.200 0.814 256 HD13 LEU 35 3HD1 LEU 35 -12.416 14.562 2.313 257 HD21 LEU 35 3HD2 LEU 35 -9.823 11.259 2.030 258 HD22 LEU 35 1HD2 LEU 35 -11.270 11.484 1.047 259 HD23 LEU 35 2HD2 LEU 35 -11.417 10.956 2.724 260 H GLU 36 H GLU 36 -6.885 14.484 2.186 261 HA GLU 36 HA GLU 36 -6.853 17.061 0.844 262 HB2 GLU 36 1HB GLU 36 -4.950 16.030 2.950 263 HB3 GLU 36 2HB GLU 36 -5.188 17.701 2.461 264 HG2 GLU 36 1HG GLU 36 -7.538 16.219 3.494 265 HG3 GLU 36 2HG GLU 36 -6.289 16.696 4.643 266 H ALA 37 H ALA 37 -6.400 15.425 -1.117 267 HA ALA 37 HA ALA 37 -3.715 14.566 -1.471 268 HB1 ALA 37 3HB ALA 37 -5.383 15.156 -3.848 269 HB2 ALA 37 1HB ALA 37 -4.399 13.741 -3.473 270 HB3 ALA 37 2HB ALA 37 -5.980 13.942 -2.717 271 H ASN 38 H ASN 38 -4.894 17.613 -1.241 272 HA ASN 38 HA ASN 38 -4.334 19.669 -2.129 273 HB2 ASN 38 1HB ASN 38 -1.755 18.292 -1.419 274 HB3 ASN 38 2HB ASN 38 -1.764 19.953 -2.005 275 HD21 ASN 38 1HD2 ASN 38 -1.480 18.295 0.683 276 HD22 ASN 38 2HD2 ASN 38 -2.269 19.336 1.814 277 H GLY 39 H GLY 39 -4.988 17.963 -4.227 278 HA2 GLY 39 1HA GLY 39 -4.668 18.922 -6.533 279 HA3 GLY 39 2HA GLY 39 -2.954 18.644 -6.260 280 H LYS 40 H LYS 40 -5.392 17.510 -7.974 281 HA LYS 40 HA LYS 40 -5.902 14.913 -7.679 282 HB2 LYS 40 1HB LYS 40 -6.667 15.865 -9.674 283 HB3 LYS 40 2HB LYS 40 -5.061 16.404 -10.145 284 HG2 LYS 40 1HG LYS 40 -5.534 13.484 -9.909 285 HG3 LYS 40 2HG LYS 40 -6.230 14.336 -11.289 286 HD2 LYS 40 1HD LYS 40 -3.380 14.854 -10.618 287 HD3 LYS 40 2HD LYS 40 -3.789 13.307 -11.365 288 HE2 LYS 40 1HE LYS 40 -5.151 14.879 -13.003 289 HE3 LYS 40 2HE LYS 40 -3.959 16.063 -12.468 290 HZ1 LYS 40 3HZ LYS 40 -2.833 15.171 -14.200 291 HZ2 LYS 40 1HZ LYS 40 -3.599 13.666 -14.092 292 HZ3 LYS 40 2HZ LYS 40 -2.350 14.059 -13.021 293 H ILE 41 H ILE 41 -4.904 12.962 -7.700 294 HA ILE 41 HA ILE 41 -2.050 12.922 -7.377 295 HB ILE 41 HB ILE 41 -3.947 10.578 -7.532 296 HG12 ILE 41 1HG1 ILE 41 -4.683 12.009 -5.747 297 HG13 ILE 41 2HG1 ILE 41 -3.817 10.657 -5.025 298 HG21 ILE 41 1HG2 ILE 41 -1.725 10.124 -5.834 299 HG22 ILE 41 2HG2 ILE 41 -2.137 9.311 -7.343 300 HG23 ILE 41 3HG2 ILE 41 -1.116 10.749 -7.367 301 HD11 ILE 41 3HD1 ILE 41 -1.786 12.307 -5.151 302 HD12 ILE 41 1HD1 ILE 41 -3.062 13.524 -5.192 303 HD13 ILE 41 2HD1 ILE 41 -2.958 12.400 -3.836 304 H THR 42 H THR 42 -0.528 12.351 -8.809 305 HA THR 42 HA THR 42 -1.429 11.496 -11.480 306 HB THR 42 HB THR 42 0.561 12.494 -12.404 307 HG1 THR 42 1HG THR 42 1.301 13.412 -9.825 308 HG21 THR 42 3HG2 THR 42 -1.453 13.953 -11.062 309 HG22 THR 42 1HG2 THR 42 -0.477 14.464 -12.438 310 HG23 THR 42 2HG2 THR 42 0.067 14.806 -10.796 311 H ALA 43 H ALA 43 0.194 10.472 -8.712 312 HA ALA 43 HA ALA 43 0.893 7.969 -9.921 313 HB1 ALA 43 3HB ALA 43 3.223 8.010 -9.733 314 HB2 ALA 43 1HB ALA 43 2.819 9.564 -10.464 315 HB3 ALA 43 2HB ALA 43 3.209 9.472 -8.746 316 H TYR 44 H TYR 44 1.307 6.344 -8.401 317 HA TYR 44 HA TYR 44 0.972 7.143 -5.585 318 HB2 TYR 44 1HB TYR 44 -0.336 4.890 -7.099 319 HB3 TYR 44 2HB TYR 44 -0.229 4.893 -5.342 320 HD1 TYR 44 2HD TYR 44 -1.104 7.113 -4.196 321 HD2 TYR 44 1HD TYR 44 -2.214 5.802 -8.089 322 HE1 TYR 44 2HE TYR 44 -3.141 8.485 -4.071 323 HE2 TYR 44 1HE TYR 44 -4.254 7.172 -7.975 324 HH TYR 44 HH TYR 44 -5.678 8.155 -5.584 325 H ILE 45 H ILE 45 2.648 6.590 -4.377 326 HA ILE 45 HA ILE 45 4.420 4.440 -5.298 327 HB ILE 45 HB ILE 45 5.003 6.429 -3.110 328 HG12 ILE 45 1HG1 ILE 45 6.464 7.415 -5.080 329 HG13 ILE 45 2HG1 ILE 45 5.221 6.676 -6.082 330 HG21 ILE 45 1HG2 ILE 45 6.907 4.879 -4.849 331 HG22 ILE 45 2HG2 ILE 45 7.272 5.792 -3.386 332 HG23 ILE 45 3HG2 ILE 45 6.334 4.302 -3.284 333 HD11 ILE 45 3HD1 ILE 45 5.042 9.166 -5.258 334 HD12 ILE 45 1HD1 ILE 45 3.617 8.139 -5.409 335 HD13 ILE 45 2HD1 ILE 45 4.355 8.396 -3.828 336 H LEU 46 H LEU 46 4.324 2.527 -4.340 337 HA LEU 46 HA LEU 46 3.130 2.350 -1.657 338 HB2 LEU 46 1HB LEU 46 1.832 1.063 -3.104 339 HB3 LEU 46 2HB LEU 46 3.239 0.457 -3.976 340 HG LEU 46 HG LEU 46 3.813 -0.808 -1.836 341 HD11 LEU 46 1HD1 LEU 46 2.003 0.647 -0.606 342 HD12 LEU 46 2HD1 LEU 46 2.296 -1.028 -0.140 343 HD13 LEU 46 3HD1 LEU 46 0.920 -0.627 -1.167 344 HD21 LEU 46 3HD2 LEU 46 3.043 -2.004 -3.738 345 HD22 LEU 46 1HD2 LEU 46 1.385 -1.455 -3.495 346 HD23 LEU 46 2HD2 LEU 46 2.114 -2.587 -2.356 347 H PHE 47 H PHE 47 4.143 1.207 -0.031 348 HA PHE 47 HA PHE 47 6.866 0.246 -0.600 349 HB2 PHE 47 1HB PHE 47 6.051 1.749 1.894 350 HB3 PHE 47 2HB PHE 47 7.672 1.214 1.463 351 HD1 PHE 47 1HD PHE 47 4.926 3.237 -0.058 352 HD2 PHE 47 2HD PHE 47 9.095 2.830 0.695 353 HE1 PHE 47 1HE PHE 47 5.334 5.392 -1.173 354 HE2 PHE 47 2HE PHE 47 9.510 4.985 -0.418 355 HZ PHE 47 HZ PHE 47 7.628 6.269 -1.353 356 H TYR 48 H TYR 48 7.336 -1.718 0.176 357 HA TYR 48 HA TYR 48 5.752 -2.821 2.374 358 HB2 TYR 48 1HB TYR 48 5.399 -4.933 1.145 359 HB3 TYR 48 2HB TYR 48 4.599 -3.574 0.363 360 HD1 TYR 48 2HD TYR 48 5.557 -2.612 -1.720 361 HD2 TYR 48 1HD TYR 48 7.121 -6.155 0.041 362 HE1 TYR 48 2HE TYR 48 6.695 -3.152 -3.832 363 HE2 TYR 48 1HE TYR 48 8.265 -6.705 -2.066 364 HH TYR 48 HH TYR 48 9.008 -5.728 -4.067 365 H THR 49 H THR 49 6.758 -4.537 3.490 366 HA THR 49 HA THR 49 9.286 -5.598 2.718 367 HB THR 49 HB THR 49 10.000 -3.320 3.400 368 HG1 THR 49 1HG THR 49 11.402 -4.313 5.257 369 HG21 THR 49 3HG2 THR 49 8.797 -4.163 6.031 370 HG22 THR 49 1HG2 THR 49 8.420 -2.731 5.074 371 HG23 THR 49 2HG2 THR 49 9.978 -2.862 5.889 372 H LEU 50 H LEU 50 10.171 -7.072 4.328 373 HA LEU 50 HA LEU 50 8.040 -8.276 5.903 374 HB2 LEU 50 1HB LEU 50 9.511 -10.180 6.110 375 HB3 LEU 50 2HB LEU 50 9.394 -9.680 4.424 376 HG LEU 50 HG LEU 50 11.694 -8.725 6.071 377 HD11 LEU 50 1HD1 LEU 50 12.176 -10.868 6.571 378 HD12 LEU 50 2HD1 LEU 50 12.753 -10.905 4.905 379 HD13 LEU 50 3HD1 LEU 50 11.145 -11.513 5.294 380 HD21 LEU 50 3HD2 LEU 50 11.923 -7.774 4.032 381 HD22 LEU 50 1HD2 LEU 50 10.969 -9.018 3.223 382 HD23 LEU 50 2HD2 LEU 50 12.653 -9.332 3.642 383 H ASP 51 H ASP 51 10.800 -6.305 6.351 384 HA ASP 51 HA ASP 51 10.602 -6.692 9.265 385 HB2 ASP 51 1HB ASP 51 12.999 -6.501 7.502 386 HB3 ASP 51 2HB ASP 51 13.092 -5.767 9.101 387 H LYS 52 H LYS 52 10.153 -4.927 10.419 388 HA LYS 52 HA LYS 52 9.907 -2.384 9.024 389 HB2 LYS 52 1HB LYS 52 8.599 -1.653 10.890 390 HB3 LYS 52 2HB LYS 52 8.074 -3.281 10.478 391 HG2 LYS 52 1HG LYS 52 9.874 -3.920 12.317 392 HG3 LYS 52 2HG LYS 52 9.492 -2.292 12.883 393 HD2 LYS 52 1HD LYS 52 7.098 -2.896 12.907 394 HD3 LYS 52 2HD LYS 52 7.528 -4.537 12.421 395 HE2 LYS 52 1HE LYS 52 7.424 -4.842 14.675 396 HE3 LYS 52 2HE LYS 52 9.111 -4.348 14.538 397 HZ1 LYS 52 3HZ LYS 52 6.952 -3.047 15.870 398 HZ2 LYS 52 1HZ LYS 52 7.717 -2.006 14.776 399 HZ3 LYS 52 2HZ LYS 52 8.616 -2.764 15.991 400 H ASN 53 H ASN 53 11.834 -3.901 11.507 401 HA ASN 53 HA ASN 53 12.950 -1.922 12.938 402 HB2 ASN 53 1HB ASN 53 14.749 -3.919 11.578 403 HB3 ASN 53 2HB ASN 53 14.890 -3.242 13.198 404 HD21 ASN 53 1HD2 ASN 53 12.816 -3.685 14.548 405 HD22 ASN 53 2HD2 ASN 53 12.280 -5.327 14.527 406 H ILE 54 H ILE 54 13.342 -2.405 9.516 407 HA ILE 54 HA ILE 54 15.493 -0.477 9.293 408 HB ILE 54 HB ILE 54 15.080 -0.804 6.796 409 HG12 ILE 54 1HG1 ILE 54 13.441 -3.145 7.782 410 HG13 ILE 54 2HG1 ILE 54 12.740 -1.668 7.131 411 HG21 ILE 54 1HG2 ILE 54 15.767 -3.275 8.379 412 HG22 ILE 54 2HG2 ILE 54 16.308 -2.865 6.751 413 HG23 ILE 54 3HG2 ILE 54 16.860 -1.914 8.129 414 HD11 ILE 54 3HD1 ILE 54 14.026 -3.918 5.759 415 HD12 ILE 54 1HD1 ILE 54 12.756 -2.823 5.213 416 HD13 ILE 54 2HD1 ILE 54 14.445 -2.318 5.148 417 HA PRO 55 HA PRO 55 13.090 3.134 8.612 418 HB2 PRO 55 1HB PRO 55 14.599 4.445 6.776 419 HB3 PRO 55 2HB PRO 55 15.072 4.287 8.471 420 HG2 PRO 55 1HG PRO 55 15.976 2.704 6.097 421 HG3 PRO 55 2HG PRO 55 16.935 3.349 7.441 422 HD2 PRO 55 1HD PRO 55 16.166 0.756 7.314 423 HD3 PRO 55 2HD PRO 55 16.350 1.623 8.852 424 H ILE 56 H ILE 56 11.388 3.740 7.395 425 HA ILE 56 HA ILE 56 10.224 2.282 5.462 426 HB ILE 56 HB ILE 56 9.195 4.280 6.489 427 HG12 ILE 56 1HG1 ILE 56 7.983 5.048 4.444 428 HG13 ILE 56 2HG1 ILE 56 9.165 4.188 3.465 429 HG21 ILE 56 1HG2 ILE 56 11.377 5.639 5.834 430 HG22 ILE 56 2HG2 ILE 56 10.391 6.050 4.432 431 HG23 ILE 56 3HG2 ILE 56 9.815 6.427 6.055 432 HD11 ILE 56 3HD1 ILE 56 6.807 3.205 4.768 433 HD12 ILE 56 1HD1 ILE 56 7.850 2.416 3.586 434 HD13 ILE 56 2HD1 ILE 56 8.231 2.315 5.305 435 H ASP 57 H ASP 57 12.978 4.343 5.039 436 HA ASP 57 HA ASP 57 12.857 4.591 2.214 437 HB2 ASP 57 1HB ASP 57 15.384 4.656 3.858 438 HB3 ASP 57 2HB ASP 57 15.049 5.492 2.344 439 H ASP 58 H ASP 58 14.703 2.425 4.350 440 HA ASP 58 HA ASP 58 16.006 0.969 2.354 441 HB2 ASP 58 1HB ASP 58 16.194 0.961 5.006 442 HB3 ASP 58 2HB ASP 58 15.137 -0.438 4.836 443 H TRP 59 H TRP 59 12.730 0.879 3.436 444 HA TRP 59 HA TRP 59 11.977 -1.709 2.726 445 HB2 TRP 59 1HB TRP 59 10.372 0.852 2.585 446 HB3 TRP 59 2HB TRP 59 9.689 -0.767 2.473 447 HD1 TRP 59 HD TRP 59 12.453 -0.137 5.011 448 HE1 TRP 59 1HE TRP 59 11.458 -0.274 7.380 449 HE3 TRP 59 3HE TRP 59 7.493 -0.380 3.795 450 HZ2 TRP 59 2HZ TRP 59 8.908 -0.461 8.576 451 HZ3 TRP 59 3HZ TRP 59 5.840 -0.537 5.611 452 HH2 TRP 59 HH TRP 59 6.535 -0.577 7.951 453 H ILE 60 H ILE 60 10.315 -2.068 0.851 454 HA ILE 60 HA ILE 60 11.734 -1.385 -1.610 455 HB ILE 60 HB ILE 60 9.545 -3.403 -1.099 456 HG12 ILE 60 1HG1 ILE 60 12.389 -3.987 -1.882 457 HG13 ILE 60 2HG1 ILE 60 11.949 -3.751 -0.194 458 HG21 ILE 60 1HG2 ILE 60 10.335 -4.208 -3.421 459 HG22 ILE 60 2HG2 ILE 60 9.242 -2.828 -3.328 460 HG23 ILE 60 3HG2 ILE 60 10.965 -2.571 -3.600 461 HD11 ILE 60 3HD1 ILE 60 12.025 -6.121 -0.908 462 HD12 ILE 60 1HD1 ILE 60 10.465 -5.620 -0.257 463 HD13 ILE 60 2HD1 ILE 60 10.680 -5.792 -2.000 464 H MET 61 H MET 61 11.092 0.502 -2.454 465 HA MET 61 HA MET 61 8.324 1.348 -2.286 466 HB2 MET 61 1HB MET 61 10.095 3.000 -1.952 467 HB3 MET 61 2HB MET 61 10.729 2.667 -3.558 468 HG2 MET 61 1HG MET 61 8.164 3.300 -4.142 469 HG3 MET 61 2HG MET 61 8.448 4.309 -2.726 470 HE1 MET 61 3HE MET 61 11.142 4.399 -6.454 471 HE2 MET 61 1HE MET 61 10.684 2.971 -5.524 472 HE3 MET 61 2HE MET 61 9.509 3.746 -6.586 473 H GLU 62 H GLU 62 6.923 1.603 -4.003 474 HA GLU 62 HA GLU 62 7.812 0.630 -6.626 475 HB2 GLU 62 1HB GLU 62 5.665 -0.489 -4.899 476 HB3 GLU 62 2HB GLU 62 5.341 -0.392 -6.624 477 HG2 GLU 62 1HG GLU 62 7.477 -1.942 -5.210 478 HG3 GLU 62 2HG GLU 62 6.206 -2.534 -6.278 479 H THR 63 H THR 63 7.192 1.903 -8.247 480 HA THR 63 HA THR 63 5.447 4.152 -7.679 481 HB THR 63 HB THR 63 6.928 3.483 -10.231 482 HG1 THR 63 1HG THR 63 7.655 4.836 -7.877 483 HG21 THR 63 3HG2 THR 63 4.900 5.355 -9.745 484 HG22 THR 63 1HG2 THR 63 5.972 5.280 -11.143 485 HG23 THR 63 2HG2 THR 63 6.404 6.276 -9.753 486 H ILE 64 H ILE 64 3.410 4.405 -8.388 487 HA ILE 64 HA ILE 64 2.363 2.458 -10.333 488 HB ILE 64 HB ILE 64 0.765 3.482 -7.992 489 HG12 ILE 64 1HG1 ILE 64 1.758 0.671 -8.100 490 HG13 ILE 64 2HG1 ILE 64 2.875 1.924 -7.570 491 HG21 ILE 64 1HG2 ILE 64 -0.799 2.758 -9.483 492 HG22 ILE 64 2HG2 ILE 64 0.296 1.603 -10.240 493 HG23 ILE 64 3HG2 ILE 64 -0.442 1.228 -8.683 494 HD11 ILE 64 3HD1 ILE 64 0.218 1.956 -6.307 495 HD12 ILE 64 1HD1 ILE 64 1.248 0.577 -5.922 496 HD13 ILE 64 2HD1 ILE 64 1.817 2.217 -5.609 497 H SER 65 H SER 65 0.567 3.176 -11.590 498 HA SER 65 HA SER 65 0.764 5.913 -12.361 499 HB2 SER 65 1HB SER 65 0.277 4.121 -13.985 500 HB3 SER 65 2HB SER 65 -1.267 3.823 -13.187 501 HG SER 65 HG SER 65 -1.064 5.341 -15.141 502 H GLY 66 H GLY 66 -0.499 7.621 -11.872 503 HA2 GLY 66 1HA GLY 66 -2.068 7.627 -9.557 504 HA3 GLY 66 2HA GLY 66 -2.065 8.891 -10.777 505 H ASP 67 H ASP 67 -2.884 6.674 -12.749 506 HA ASP 67 HA ASP 67 -5.693 7.187 -12.571 507 HB2 ASP 67 1HB ASP 67 -4.329 6.916 -14.708 508 HB3 ASP 67 2HB ASP 67 -4.363 5.183 -14.393 509 H ARG 68 H ARG 68 -3.599 4.435 -11.912 510 HA ARG 68 HA ARG 68 -5.864 2.728 -11.281 511 HB2 ARG 68 1HB ARG 68 -2.915 2.141 -10.976 512 HB3 ARG 68 2HB ARG 68 -4.232 0.976 -10.953 513 HG2 ARG 68 1HG ARG 68 -4.702 1.405 -13.284 514 HG3 ARG 68 2HG ARG 68 -3.466 2.663 -13.326 515 HD2 ARG 68 1HD ARG 68 -1.850 0.816 -12.570 516 HD3 ARG 68 2HD ARG 68 -3.122 -0.305 -13.053 517 HE ARG 68 HE ARG 68 -2.463 1.599 -15.092 518 HH11 ARG 68 1HH1 ARG 68 -1.589 -1.450 -13.656 519 HH12 ARG 68 2HH1 ARG 68 -0.817 -2.050 -15.086 520 HH21 ARG 68 1HH2 ARG 68 -1.449 0.820 -16.981 521 HH22 ARG 68 2HH2 ARG 68 -0.737 -0.758 -16.977 522 H LEU 69 H LEU 69 -6.203 1.777 -9.226 523 HA LEU 69 HA LEU 69 -5.012 3.285 -6.991 524 HB2 LEU 69 1HB LEU 69 -7.817 2.223 -7.285 525 HB3 LEU 69 2HB LEU 69 -7.158 2.890 -5.792 526 HG LEU 69 HG LEU 69 -7.268 4.511 -8.317 527 HD11 LEU 69 1HD1 LEU 69 -9.370 5.308 -6.658 528 HD12 LEU 69 2HD1 LEU 69 -9.499 3.554 -6.779 529 HD13 LEU 69 3HD1 LEU 69 -9.484 4.539 -8.241 530 HD21 LEU 69 3HD2 LEU 69 -7.620 6.214 -6.276 531 HD22 LEU 69 1HD2 LEU 69 -6.032 5.758 -6.893 532 HD23 LEU 69 2HD2 LEU 69 -6.681 4.965 -5.458 533 H THR 70 H THR 70 -4.491 0.576 -8.361 534 HA THR 70 HA THR 70 -4.255 -0.925 -5.853 535 HB THR 70 HB THR 70 -5.044 -2.963 -6.773 536 HG1 THR 70 1HG THR 70 -4.434 -1.770 -9.131 537 HG21 THR 70 3HG2 THR 70 -6.756 -1.149 -6.166 538 HG22 THR 70 1HG2 THR 70 -7.324 -2.524 -7.113 539 HG23 THR 70 2HG2 THR 70 -6.999 -0.981 -7.905 540 H HIS 71 H HIS 71 -2.706 -2.754 -6.042 541 HA HIS 71 HA HIS 71 -0.784 -2.554 -8.218 542 HB2 HIS 71 1HB HIS 71 0.117 -0.922 -6.704 543 HB3 HIS 71 2HB HIS 71 -0.083 -2.005 -5.330 544 HD1 HIS 71 1HD HIS 71 2.001 -1.631 -8.464 545 HD2 HIS 71 2HD HIS 71 2.051 -3.646 -4.831 546 HE1 HIS 71 1HE HIS 71 4.270 -2.707 -8.323 547 HE2 HIS 71 2HE HIS 71 4.246 -3.990 -6.156 548 H GLN 72 H GLN 72 -0.068 -4.509 -8.774 549 HA GLN 72 HA GLN 72 -0.597 -6.741 -6.943 550 HB2 GLN 72 1HB GLN 72 -1.640 -6.863 -9.170 551 HB3 GLN 72 2HB GLN 72 -0.051 -6.766 -9.917 552 HG2 GLN 72 1HG GLN 72 0.445 -8.873 -8.466 553 HG3 GLN 72 2HG GLN 72 -1.311 -9.017 -8.428 554 HE21 GLN 72 1HE2 GLN 72 0.638 -10.781 -9.646 555 HE22 GLN 72 2HE2 GLN 72 0.244 -10.861 -11.326 556 H ILE 73 H ILE 73 1.028 -7.743 -5.963 557 HA ILE 73 HA ILE 73 3.764 -7.210 -6.897 558 HB ILE 73 HB ILE 73 2.821 -8.161 -4.190 559 HG12 ILE 73 1HG1 ILE 73 4.039 -5.502 -4.949 560 HG13 ILE 73 2HG1 ILE 73 2.305 -5.770 -4.809 561 HG21 ILE 73 1HG2 ILE 73 5.579 -7.173 -4.749 562 HG22 ILE 73 2HG2 ILE 73 5.007 -8.259 -3.484 563 HG23 ILE 73 3HG2 ILE 73 5.159 -8.840 -5.142 564 HD11 ILE 73 3HD1 ILE 73 3.478 -4.735 -2.821 565 HD12 ILE 73 1HD1 ILE 73 2.443 -6.125 -2.497 566 HD13 ILE 73 2HD1 ILE 73 4.195 -6.323 -2.549 567 H MET 74 H MET 74 5.159 -8.843 -7.379 568 HA MET 74 HA MET 74 4.132 -11.595 -7.153 569 HB2 MET 74 1HB MET 74 5.643 -10.368 -9.465 570 HB3 MET 74 2HB MET 74 5.295 -12.084 -9.305 571 HG2 MET 74 1HG MET 74 2.824 -11.250 -9.097 572 HG3 MET 74 2HG MET 74 3.460 -9.824 -9.913 573 HE1 MET 74 3HE MET 74 3.613 -10.539 -13.382 574 HE2 MET 74 1HE MET 74 2.066 -10.287 -12.573 575 HE3 MET 74 2HE MET 74 3.508 -9.453 -11.996 576 H ASP 75 H ASP 75 5.732 -13.254 -6.962 577 HA ASP 75 HA ASP 75 7.691 -14.188 -6.256 578 HB2 ASP 75 1HB ASP 75 9.049 -11.516 -6.551 579 HB3 ASP 75 2HB ASP 75 9.757 -13.124 -6.674 580 H LEU 76 H LEU 76 5.932 -13.500 -4.356 581 HA LEU 76 HA LEU 76 7.454 -12.104 -2.268 582 HB2 LEU 76 1HB LEU 76 4.562 -12.590 -2.763 583 HB3 LEU 76 2HB LEU 76 5.106 -12.428 -1.095 584 HG LEU 76 HG LEU 76 5.254 -10.372 -3.291 585 HD11 LEU 76 1HD1 LEU 76 3.113 -10.714 -2.019 586 HD12 LEU 76 2HD1 LEU 76 3.801 -9.093 -1.923 587 HD13 LEU 76 3HD1 LEU 76 3.982 -10.209 -0.569 588 HD21 LEU 76 3HD2 LEU 76 7.281 -10.006 -2.242 589 HD22 LEU 76 1HD2 LEU 76 6.681 -10.533 -0.669 590 HD23 LEU 76 2HD2 LEU 76 6.193 -8.967 -1.319 591 H ASN 77 H ASN 77 7.699 -13.026 -0.197 592 HA ASN 77 HA ASN 77 8.167 -15.838 -0.220 593 HB2 ASN 77 1HB ASN 77 8.276 -13.793 2.004 594 HB3 ASN 77 2HB ASN 77 8.746 -15.478 2.203 595 HD21 ASN 77 1HD2 ASN 77 10.518 -13.471 2.714 596 HD22 ASN 77 2HD2 ASN 77 11.763 -13.469 1.516 597 H LEU 78 H LEU 78 7.239 -17.405 1.222 598 HA LEU 78 HA LEU 78 4.391 -16.889 1.713 599 HB2 LEU 78 1HB LEU 78 5.949 -19.436 1.342 600 HB3 LEU 78 2HB LEU 78 4.269 -19.404 1.871 601 HG LEU 78 HG LEU 78 3.549 -18.516 -0.224 602 HD11 LEU 78 1HD1 LEU 78 6.475 -18.105 -0.716 603 HD12 LEU 78 2HD1 LEU 78 5.151 -16.948 -0.846 604 HD13 LEU 78 3HD1 LEU 78 5.329 -18.222 -2.052 605 HD21 LEU 78 3HD2 LEU 78 4.776 -20.268 -1.794 606 HD22 LEU 78 1HD2 LEU 78 3.611 -20.765 -0.566 607 HD23 LEU 78 2HD2 LEU 78 5.340 -20.883 -0.239 608 H ASP 79 H ASP 79 3.462 -18.142 3.607 609 HA ASP 79 HA ASP 79 3.295 -18.047 5.904 610 HB2 ASP 79 1HB ASP 79 4.602 -19.755 6.963 611 HB3 ASP 79 2HB ASP 79 4.244 -20.303 5.327 612 H THR 80 H THR 80 4.645 -15.759 4.864 613 HA THR 80 HA THR 80 6.322 -15.112 7.190 614 HB THR 80 HB THR 80 6.957 -14.186 4.384 615 HG1 THR 80 1HG THR 80 7.756 -16.432 5.840 616 HG21 THR 80 3HG2 THR 80 7.750 -13.258 6.940 617 HG22 THR 80 1HG2 THR 80 8.344 -12.744 5.362 618 HG23 THR 80 2HG2 THR 80 9.142 -14.065 6.217 619 H MET 81 H MET 81 5.916 -13.174 8.109 620 HA MET 81 HA MET 81 3.578 -11.749 7.352 621 HB2 MET 81 1HB MET 81 4.798 -12.024 9.685 622 HB3 MET 81 2HB MET 81 5.599 -10.540 9.187 623 HG2 MET 81 1HG MET 81 3.842 -9.647 10.299 624 HG3 MET 81 2HG MET 81 3.116 -9.787 8.699 625 HE1 MET 81 3HE MET 81 1.247 -10.847 8.111 626 HE2 MET 81 1HE MET 81 0.159 -11.822 9.098 627 HE3 MET 81 2HE MET 81 0.356 -10.103 9.439 628 H TYR 82 H TYR 82 3.329 -9.783 6.367 629 HA TYR 82 HA TYR 82 5.730 -8.383 5.438 630 HB2 TYR 82 1HB TYR 82 3.680 -9.709 3.754 631 HB3 TYR 82 2HB TYR 82 4.204 -8.111 3.236 632 HD1 TYR 82 1HD TYR 82 6.941 -7.885 3.514 633 HD2 TYR 82 2HD TYR 82 4.753 -11.439 2.689 634 HE1 TYR 82 1HE TYR 82 8.944 -8.871 2.480 635 HE2 TYR 82 2HE TYR 82 6.749 -12.436 1.654 636 HH TYR 82 HH TYR 82 8.865 -12.130 1.065 637 H TYR 83 H TYR 83 5.574 -6.228 5.573 638 HA TYR 83 HA TYR 83 3.054 -5.103 6.512 639 HB2 TYR 83 1HB TYR 83 5.722 -3.711 6.252 640 HB3 TYR 83 2HB TYR 83 4.332 -3.189 7.198 641 HD1 TYR 83 1HD TYR 83 3.589 -5.743 8.522 642 HD2 TYR 83 2HD TYR 83 7.402 -3.977 7.856 643 HE1 TYR 83 1HE TYR 83 4.475 -6.931 10.485 644 HE2 TYR 83 2HE TYR 83 8.299 -5.162 9.816 645 HH TYR 83 HH TYR 83 6.494 -6.470 12.158 646 H PHE 84 H PHE 84 2.147 -3.190 5.602 647 HA PHE 84 HA PHE 84 2.961 -2.620 2.835 648 HB2 PHE 84 1HB PHE 84 0.171 -3.189 3.840 649 HB3 PHE 84 2HB PHE 84 0.491 -2.400 2.298 650 HD1 PHE 84 1HD PHE 84 1.612 -3.631 0.487 651 HD2 PHE 84 2HD PHE 84 0.478 -5.529 4.124 652 HE1 PHE 84 1HE PHE 84 1.854 -5.830 -0.589 653 HE2 PHE 84 2HE PHE 84 0.719 -7.731 3.054 654 HZ PHE 84 HZ PHE 84 1.408 -7.884 0.695 655 H ARG 85 H ARG 85 3.157 -0.519 2.393 656 HA ARG 85 HA ARG 85 1.624 1.449 3.899 657 HB2 ARG 85 1HB ARG 85 4.642 1.360 3.845 658 HB3 ARG 85 2HB ARG 85 3.724 2.787 4.305 659 HG2 ARG 85 1HG ARG 85 2.611 1.277 6.048 660 HG3 ARG 85 2HG ARG 85 3.938 0.159 5.723 661 HD2 ARG 85 1HD ARG 85 4.867 1.346 7.432 662 HD3 ARG 85 2HD ARG 85 5.381 2.350 6.077 663 HE ARG 85 HE ARG 85 2.854 3.105 7.249 664 HH11 ARG 85 1HH1 ARG 85 6.310 3.523 7.296 665 HH12 ARG 85 2HH1 ARG 85 6.242 5.080 8.051 666 HH21 ARG 85 1HH2 ARG 85 2.752 5.155 8.245 667 HH22 ARG 85 2HH2 ARG 85 4.218 6.007 8.592 668 H ILE 86 H ILE 86 0.622 2.422 2.249 669 HA ILE 86 HA ILE 86 2.224 3.197 -0.097 670 HB ILE 86 HB ILE 86 0.300 1.706 -0.570 671 HG12 ILE 86 1HG1 ILE 86 -0.208 4.459 -1.695 672 HG13 ILE 86 2HG1 ILE 86 1.185 3.491 -2.165 673 HG21 ILE 86 1HG2 ILE 86 -1.484 2.060 0.747 674 HG22 ILE 86 2HG2 ILE 86 -1.098 3.763 0.987 675 HG23 ILE 86 3HG2 ILE 86 -1.931 3.246 -0.479 676 HD11 ILE 86 3HD1 ILE 86 -1.689 3.118 -2.791 677 HD12 ILE 86 1HD1 ILE 86 -0.270 2.943 -3.823 678 HD13 ILE 86 2HD1 ILE 86 -0.668 1.687 -2.650 679 H GLN 87 H GLN 87 1.470 5.242 -1.172 680 HA GLN 87 HA GLN 87 0.261 7.204 0.596 681 HB2 GLN 87 1HB GLN 87 2.155 8.793 0.295 682 HB3 GLN 87 2HB GLN 87 2.566 7.384 1.264 683 HG2 GLN 87 1HG GLN 87 3.570 6.366 -0.779 684 HG3 GLN 87 2HG GLN 87 3.301 7.900 -1.605 685 HE21 GLN 87 1HE2 GLN 87 3.880 9.560 0.639 686 HE22 GLN 87 2HE2 GLN 87 5.583 9.478 0.915 687 H ALA 88 H ALA 88 0.617 9.491 -0.693 688 HA ALA 88 HA ALA 88 -0.217 8.949 -3.468 689 HB1 ALA 88 3HB ALA 88 -1.351 10.870 -1.461 690 HB2 ALA 88 1HB ALA 88 -1.592 11.088 -3.194 691 HB3 ALA 88 2HB ALA 88 -2.183 9.629 -2.398 692 H ARG 89 H ARG 89 0.570 10.267 -5.069 693 HA ARG 89 HA ARG 89 2.346 12.467 -4.286 694 HB2 ARG 89 1HB ARG 89 3.880 10.682 -4.631 695 HB3 ARG 89 2HB ARG 89 3.041 10.148 -6.081 696 HG2 ARG 89 1HG ARG 89 3.708 12.275 -7.179 697 HG3 ARG 89 2HG ARG 89 4.668 12.656 -5.748 698 HD2 ARG 89 1HD ARG 89 6.185 10.954 -6.154 699 HD3 ARG 89 2HD ARG 89 5.051 10.047 -7.154 700 HE ARG 89 HE ARG 89 5.554 12.429 -8.475 701 HH11 ARG 89 1HH1 ARG 89 7.346 9.634 -7.429 702 HH12 ARG 89 2HH1 ARG 89 8.508 9.738 -8.710 703 HH21 ARG 89 1HH2 ARG 89 7.078 12.577 -10.166 704 HH22 ARG 89 2HH2 ARG 89 8.355 11.413 -10.266 705 H ASN 90 H ASN 90 1.894 14.259 -5.377 706 HA ASN 90 HA ASN 90 0.477 14.010 -7.948 707 HB2 ASN 90 1HB ASN 90 -0.399 16.328 -7.408 708 HB3 ASN 90 2HB ASN 90 -1.003 15.029 -6.384 709 HD21 ASN 90 1HD2 ASN 90 -1.511 16.484 -4.745 710 HD22 ASN 90 2HD2 ASN 90 -0.294 17.199 -3.748 711 H SER 91 H SER 91 0.770 15.998 -9.366 712 HA SER 91 HA SER 91 3.253 16.218 -10.371 713 HB2 SER 91 1HB SER 91 1.251 17.274 -11.373 714 HB3 SER 91 2HB SER 91 1.325 18.544 -10.152 715 HG SER 91 HG SER 91 3.639 18.699 -11.058 716 H LYS 92 H LYS 92 2.075 17.818 -7.502 717 HA LYS 92 HA LYS 92 4.297 19.601 -7.230 718 HB2 LYS 92 1HB LYS 92 2.408 18.697 -5.055 719 HB3 LYS 92 2HB LYS 92 3.367 20.171 -5.093 720 HG2 LYS 92 1HG LYS 92 1.366 19.697 -7.246 721 HG3 LYS 92 2HG LYS 92 0.814 20.213 -5.651 722 HD2 LYS 92 1HD LYS 92 1.895 22.254 -5.794 723 HD3 LYS 92 2HD LYS 92 3.051 21.673 -6.994 724 HE2 LYS 92 1HE LYS 92 0.128 21.861 -7.629 725 HE3 LYS 92 2HE LYS 92 1.172 23.277 -7.745 726 HZ1 LYS 92 3HZ LYS 92 0.875 21.968 -9.845 727 HZ2 LYS 92 1HZ LYS 92 1.771 20.725 -9.126 728 HZ3 LYS 92 2HZ LYS 92 2.481 22.237 -9.388 729 H GLY 93 H GLY 93 3.283 16.997 -5.013 730 HA2 GLY 93 1HA GLY 93 5.881 15.765 -5.060 731 HA3 GLY 93 2HA GLY 93 5.597 16.698 -3.598 732 H VAL 94 H VAL 94 5.823 14.673 -2.460 733 HA VAL 94 HA VAL 94 3.357 13.060 -2.561 734 HB VAL 94 HB VAL 94 5.344 11.797 -3.348 735 HG11 VAL 94 1HG1 VAL 94 7.286 11.705 -2.239 736 HG12 VAL 94 2HG1 VAL 94 6.684 13.104 -1.349 737 HG13 VAL 94 3HG1 VAL 94 6.491 11.483 -0.681 738 HG21 VAL 94 3HG2 VAL 94 5.080 9.907 -1.621 739 HG22 VAL 94 1HG2 VAL 94 3.912 10.977 -0.845 740 HG23 VAL 94 2HG2 VAL 94 3.648 10.436 -2.503 741 H GLY 95 H GLY 95 2.469 12.384 -0.599 742 HA2 GLY 95 1HA GLY 95 3.350 13.979 1.708 743 HA3 GLY 95 2HA GLY 95 1.747 13.292 1.491 744 HA PRO 96 HA PRO 96 3.927 10.587 4.505 745 HB2 PRO 96 1HB PRO 96 1.730 10.167 6.042 746 HB3 PRO 96 2HB PRO 96 2.785 11.571 6.238 747 HG2 PRO 96 1HG PRO 96 0.165 11.356 4.806 748 HG3 PRO 96 2HG PRO 96 0.751 12.639 5.880 749 HD2 PRO 96 1HD PRO 96 0.789 12.867 3.182 750 HD3 PRO 96 2HD PRO 96 2.012 13.624 4.222 751 H LEU 97 H LEU 97 3.220 8.359 5.280 752 HA LEU 97 HA LEU 97 1.802 6.995 3.090 753 HB2 LEU 97 1HB LEU 97 3.747 5.715 4.987 754 HB3 LEU 97 2HB LEU 97 3.154 5.092 3.449 755 HG LEU 97 HG LEU 97 4.391 7.275 2.547 756 HD11 LEU 97 1HD1 LEU 97 5.982 6.512 4.990 757 HD12 LEU 97 2HD1 LEU 97 5.061 8.003 4.797 758 HD13 LEU 97 3HD1 LEU 97 6.446 7.682 3.755 759 HD21 LEU 97 3HD2 LEU 97 6.320 5.152 3.120 760 HD22 LEU 97 1HD2 LEU 97 5.753 5.788 1.575 761 HD23 LEU 97 2HD2 LEU 97 4.799 4.578 2.434 762 H SER 98 H SER 98 0.683 4.965 3.717 763 HA SER 98 HA SER 98 -1.016 5.470 5.986 764 HB2 SER 98 1HB SER 98 -1.785 4.528 3.752 765 HB3 SER 98 2HB SER 98 -1.029 3.009 4.234 766 HG SER 98 HG SER 98 -3.179 4.363 5.483 767 H ASP 99 H ASP 99 -1.562 3.649 7.502 768 HA ASP 99 HA ASP 99 0.715 2.901 8.966 769 HB2 ASP 99 1HB ASP 99 -2.188 2.184 9.087 770 HB3 ASP 99 2HB ASP 99 -1.038 1.275 10.063 771 HA PRO 100 HA PRO 100 2.088 -0.780 6.996 772 HB2 PRO 100 1HB PRO 100 3.259 -2.022 9.107 773 HB3 PRO 100 2HB PRO 100 3.966 -0.612 8.309 774 HG2 PRO 100 1HG PRO 100 2.369 -0.755 10.838 775 HG3 PRO 100 2HG PRO 100 3.836 0.180 10.492 776 HD2 PRO 100 1HD PRO 100 1.363 1.284 10.462 777 HD3 PRO 100 2HD PRO 100 2.670 1.840 9.397 778 H ILE 101 H ILE 101 0.284 -1.942 6.405 779 HA ILE 101 HA ILE 101 -1.370 -3.304 8.300 780 HB ILE 101 HB ILE 101 -1.195 -3.696 5.311 781 HG12 ILE 101 1HG1 ILE 101 -2.809 -1.823 7.031 782 HG13 ILE 101 2HG1 ILE 101 -1.790 -1.433 5.650 783 HG21 ILE 101 1HG2 ILE 101 -3.233 -4.848 5.423 784 HG22 ILE 101 2HG2 ILE 101 -2.273 -5.508 6.746 785 HG23 ILE 101 3HG2 ILE 101 -3.537 -4.325 7.079 786 HD11 ILE 101 3HD1 ILE 101 -3.722 -1.318 4.542 787 HD12 ILE 101 1HD1 ILE 101 -3.626 -3.079 4.517 788 HD13 ILE 101 2HD1 ILE 101 -4.587 -2.265 5.752 789 H LEU 102 H LEU 102 -1.253 -5.344 9.036 790 HA LEU 102 HA LEU 102 1.061 -6.939 8.216 791 HB2 LEU 102 1HB LEU 102 -0.605 -6.744 10.661 792 HB3 LEU 102 2HB LEU 102 0.103 -8.313 10.287 793 HG LEU 102 HG LEU 102 2.342 -7.122 10.196 794 HD11 LEU 102 1HD1 LEU 102 0.797 -4.967 11.627 795 HD12 LEU 102 2HD1 LEU 102 1.410 -4.846 9.978 796 HD13 LEU 102 3HD1 LEU 102 2.535 -5.004 11.327 797 HD21 LEU 102 3HD2 LEU 102 1.898 -8.519 12.045 798 HD22 LEU 102 1HD2 LEU 102 0.744 -7.375 12.731 799 HD23 LEU 102 2HD2 LEU 102 2.466 -6.992 12.722 800 H PHE 103 H PHE 103 0.682 -8.334 6.628 801 HA PHE 103 HA PHE 103 -1.704 -10.034 6.810 802 HB2 PHE 103 1HB PHE 103 -2.336 -8.477 5.131 803 HB3 PHE 103 2HB PHE 103 -0.742 -8.522 4.385 804 HD1 PHE 103 1HD PHE 103 -3.902 -10.335 4.834 805 HD2 PHE 103 2HD PHE 103 -0.142 -10.242 2.842 806 HE1 PHE 103 1HE PHE 103 -4.686 -12.075 3.281 807 HE2 PHE 103 2HE PHE 103 -0.920 -11.981 1.285 808 HZ PHE 103 HZ PHE 103 -3.194 -12.900 1.503 809 H ARG 104 H ARG 104 -1.025 -12.052 7.032 810 HA ARG 104 HA ARG 104 1.616 -12.858 6.227 811 HB2 ARG 104 1HB ARG 104 0.174 -13.645 8.273 812 HB3 ARG 104 2HB ARG 104 -0.488 -14.793 7.117 813 HG2 ARG 104 1HG ARG 104 1.456 -15.971 6.959 814 HG3 ARG 104 2HG ARG 104 2.464 -14.569 7.323 815 HD2 ARG 104 1HD ARG 104 2.248 -14.827 9.582 816 HD3 ARG 104 2HD ARG 104 0.654 -15.569 9.453 817 HE ARG 104 HE ARG 104 2.305 -17.422 8.365 818 HH11 ARG 104 1HH1 ARG 104 2.280 -15.695 11.387 819 HH12 ARG 104 2HH1 ARG 104 3.047 -16.971 12.273 820 HH21 ARG 104 1HH2 ARG 104 3.315 -19.110 9.520 821 HH22 ARG 104 2HH2 ARG 104 3.636 -18.913 11.209 822 H THR 105 H THR 105 2.185 -13.725 4.348 823 HA THR 105 HA THR 105 0.403 -14.013 2.197 824 HB THR 105 HB THR 105 2.350 -15.332 1.147 825 HG1 THR 105 1HG THR 105 4.337 -14.645 2.504 826 HG21 THR 105 3HG2 THR 105 3.646 -12.863 1.825 827 HG22 THR 105 1HG2 THR 105 1.921 -12.584 1.588 828 HG23 THR 105 2HG2 THR 105 2.877 -13.335 0.310 829 H LEU 106 H LEU 106 0.025 -16.013 0.946 830 HA LEU 106 HA LEU 106 -1.253 -17.969 2.496 831 HB2 LEU 106 1HB LEU 106 -0.580 -17.616 -0.361 832 HB3 LEU 106 2HB LEU 106 -0.942 -19.258 0.166 833 HG LEU 106 HG LEU 106 -2.765 -16.862 0.358 834 HD11 LEU 106 1HD1 LEU 106 -4.117 -18.639 -1.087 835 HD12 LEU 106 2HD1 LEU 106 -2.481 -19.128 -1.529 836 HD13 LEU 106 3HD1 LEU 106 -3.013 -17.471 -1.814 837 HD21 LEU 106 3HD2 LEU 106 -3.862 -17.936 1.958 838 HD22 LEU 106 1HD2 LEU 106 -2.710 -19.269 1.893 839 HD23 LEU 106 2HD2 LEU 106 -4.131 -19.281 0.849 840 H LYS 107 H LYS 107 -0.783 -20.291 2.542 841 HA LYS 107 HA LYS 107 2.113 -20.832 2.610 842 HB2 LYS 107 1HB LYS 107 0.001 -21.963 4.455 843 HB3 LYS 107 2HB LYS 107 1.721 -22.326 4.509 844 HG2 LYS 107 1HG LYS 107 1.612 -20.762 6.151 845 HG3 LYS 107 2HG LYS 107 1.909 -19.706 4.768 846 HD2 LYS 107 1HD LYS 107 -0.321 -19.014 4.670 847 HD3 LYS 107 2HD LYS 107 -0.883 -20.381 5.635 848 HE2 LYS 107 1HE LYS 107 0.617 -19.336 7.488 849 HE3 LYS 107 2HE LYS 107 0.491 -17.873 6.512 850 HZ1 LYS 107 3HZ LYS 107 -1.372 -18.913 8.323 851 HZ2 LYS 107 1HZ LYS 107 -2.068 -18.970 6.782 852 HZ3 LYS 107 2HZ LYS 107 -1.489 -17.504 7.394 853 H VAL 108 H VAL 108 2.671 -22.239 1.095 854 HA VAL 108 HA VAL 108 0.716 -23.988 -0.116 855 HB VAL 108 HB VAL 108 2.570 -24.694 -1.588 856 HG11 VAL 108 1HG1 VAL 108 3.107 -22.141 -2.275 857 HG12 VAL 108 2HG1 VAL 108 1.592 -22.963 -2.654 858 HG13 VAL 108 3HG1 VAL 108 1.694 -21.903 -1.248 859 HG21 VAL 108 3HG2 VAL 108 4.145 -23.342 0.475 860 HG22 VAL 108 1HG2 VAL 108 4.613 -24.598 -0.671 861 HG23 VAL 108 2HG2 VAL 108 4.597 -22.908 -1.173 862 H SER 109 H SER 109 0.965 -24.654 2.531 863 HA SER 109 HA SER 109 2.786 -26.453 3.414 864 HB2 SER 109 1HB SER 109 1.089 -27.397 4.829 865 HB3 SER 109 2HB SER 109 0.720 -25.683 4.635 866 HG SER 109 HG SER 109 -0.694 -26.453 2.848 867 H GLY 110 H GLY 110 0.324 -27.005 0.979 868 HA2 GLY 110 1HA GLY 110 1.288 -29.779 0.685 869 HA3 GLY 110 2HA GLY 110 -0.305 -29.221 0.197 870 HA PRO 111 HA PRO 111 2.813 -29.155 -3.374 871 HB2 PRO 111 1HB PRO 111 1.760 -31.207 -4.804 872 HB3 PRO 111 2HB PRO 111 3.023 -31.432 -3.589 873 HG2 PRO 111 1HG PRO 111 0.070 -31.859 -3.352 874 HG3 PRO 111 2HG PRO 111 1.398 -32.871 -2.755 875 HD2 PRO 111 1HD PRO 111 0.024 -31.176 -1.152 876 HD3 PRO 111 2HD PRO 111 1.742 -31.545 -0.902 877 H SER 112 H SER 112 2.228 -28.859 -5.705 878 HA SER 112 HA SER 112 -0.027 -27.112 -5.908 879 HB2 SER 112 1HB SER 112 2.155 -26.801 -7.130 880 HB3 SER 112 2HB SER 112 1.696 -28.152 -8.166 881 HG SER 112 HG SER 112 -0.346 -26.760 -8.393 882 H SER 113 H SER 113 -1.884 -28.316 -5.576 883 HA SER 113 HA SER 113 -2.806 -29.802 -7.885 884 HB2 SER 113 1HB SER 113 -3.568 -31.733 -6.453 885 HB3 SER 113 2HB SER 113 -1.821 -31.623 -6.667 886 HG SER 113 HG SER 113 -2.732 -31.964 -4.445 887 H GLY 114 H GLY 114 -5.158 -30.625 -7.368 888 HA2 GLY 114 1HA GLY 114 -6.530 -28.602 -5.718 889 HA3 GLY 114 2HA GLY 114 -7.048 -28.907 -7.369 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -10.659 21.457 -7.670 2 HA2 GLY 1 1HA GLY 1 -11.366 20.748 -4.923 3 HA3 GLY 1 2HA GLY 1 -9.685 20.546 -5.394 4 H SER 2 H SER 2 -8.952 22.088 -3.924 5 HA SER 2 HA SER 2 -8.929 24.767 -4.897 6 HB2 SER 2 1HB SER 2 -11.141 24.725 -3.744 7 HB3 SER 2 2HB SER 2 -10.312 24.321 -2.241 8 HG SER 2 HG SER 2 -9.871 26.353 -2.011 9 H SER 3 H SER 3 -7.077 25.720 -4.310 10 HA SER 3 HA SER 3 -4.967 25.897 -3.454 11 HB2 SER 3 1HB SER 3 -6.391 26.846 -1.619 12 HB3 SER 3 2HB SER 3 -6.349 25.265 -0.837 13 HG SER 3 HG SER 3 -4.305 25.562 -0.302 14 H GLY 4 H GLY 4 -5.373 23.411 -4.555 15 HA2 GLY 4 1HA GLY 4 -4.275 21.490 -2.624 16 HA3 GLY 4 2HA GLY 4 -4.977 21.091 -4.185 17 H SER 5 H SER 5 -2.115 21.912 -2.470 18 HA SER 5 HA SER 5 -0.472 21.059 -4.658 19 HB2 SER 5 1HB SER 5 -0.077 23.907 -3.730 20 HB3 SER 5 2HB SER 5 0.740 23.082 -5.057 21 HG SER 5 HG SER 5 -1.097 24.562 -5.562 22 H SER 6 H SER 6 1.974 21.801 -3.955 23 HA SER 6 HA SER 6 3.684 21.407 -2.507 24 HB2 SER 6 1HB SER 6 1.557 22.217 -0.519 25 HB3 SER 6 2HB SER 6 3.222 21.869 -0.054 26 HG SER 6 HG SER 6 2.693 24.135 -0.514 27 H GLY 7 H GLY 7 2.040 19.225 -3.401 28 HA2 GLY 7 1HA GLY 7 1.884 16.962 -3.045 29 HA3 GLY 7 2HA GLY 7 3.033 17.173 -1.732 30 HA PRO 8 HA PRO 8 -1.465 16.353 -0.282 31 HB2 PRO 8 1HB PRO 8 -1.371 13.660 0.049 32 HB3 PRO 8 2HB PRO 8 -1.915 14.425 -1.449 33 HG2 PRO 8 1HG PRO 8 0.755 13.245 -0.784 34 HG3 PRO 8 2HG PRO 8 -0.196 13.094 -2.273 35 HD2 PRO 8 1HD PRO 8 1.893 14.801 -2.046 36 HD3 PRO 8 2HD PRO 8 0.481 15.150 -3.064 37 H THR 9 H THR 9 -1.956 16.089 1.881 38 HA THR 9 HA THR 9 0.342 15.564 3.648 39 HB THR 9 HB THR 9 -0.832 16.929 5.345 40 HG1 THR 9 1HG THR 9 -2.798 16.879 3.388 41 HG21 THR 9 3HG2 THR 9 -0.712 18.630 2.892 42 HG22 THR 9 1HG2 THR 9 0.754 17.833 3.461 43 HG23 THR 9 2HG2 THR 9 -0.106 18.956 4.515 44 H SER 10 H SER 10 -1.962 13.827 2.459 45 HA SER 10 HA SER 10 -2.411 12.351 4.939 46 HB2 SER 10 1HB SER 10 -4.595 13.345 3.109 47 HB3 SER 10 2HB SER 10 -4.832 11.991 4.214 48 HG SER 10 HG SER 10 -5.112 13.394 5.737 49 H ALA 11 H ALA 11 -2.363 10.180 4.685 50 HA ALA 11 HA ALA 11 -1.494 9.140 2.157 51 HB1 ALA 11 3HB ALA 11 -0.560 7.606 3.457 52 HB2 ALA 11 1HB ALA 11 -1.335 8.343 4.861 53 HB3 ALA 11 2HB ALA 11 -2.149 7.049 3.981 54 HA PRO 12 HA PRO 12 -5.206 7.529 0.458 55 HB2 PRO 12 1HB PRO 12 -4.532 5.012 -0.303 56 HB3 PRO 12 2HB PRO 12 -3.939 6.457 -1.131 57 HG2 PRO 12 1HG PRO 12 -2.574 4.753 0.918 58 HG3 PRO 12 2HG PRO 12 -1.918 5.450 -0.575 59 HD2 PRO 12 1HD PRO 12 -1.481 6.549 1.861 60 HD3 PRO 12 2HD PRO 12 -1.605 7.523 0.382 61 H LYS 13 H LYS 13 -6.857 5.790 0.585 62 HA LYS 13 HA LYS 13 -6.839 4.438 3.203 63 HB2 LYS 13 1HB LYS 13 -9.359 4.817 3.177 64 HB3 LYS 13 2HB LYS 13 -8.353 6.223 3.496 65 HG2 LYS 13 1HG LYS 13 -8.565 6.797 1.059 66 HG3 LYS 13 2HG LYS 13 -9.779 5.520 0.946 67 HD2 LYS 13 1HD LYS 13 -11.123 7.334 1.345 68 HD3 LYS 13 2HD LYS 13 -10.827 6.793 2.998 69 HE2 LYS 13 1HE LYS 13 -8.940 8.748 1.783 70 HE3 LYS 13 2HE LYS 13 -10.528 9.321 2.292 71 HZ1 LYS 13 3HZ LYS 13 -9.618 9.512 4.299 72 HZ2 LYS 13 1HZ LYS 13 -8.259 8.594 3.882 73 HZ3 LYS 13 2HZ LYS 13 -9.675 7.824 4.395 74 H ASP 14 H ASP 14 -8.834 2.816 3.203 75 HA ASP 14 HA ASP 14 -9.659 0.838 2.441 76 HB2 ASP 14 1HB ASP 14 -10.705 2.301 0.731 77 HB3 ASP 14 2HB ASP 14 -9.295 2.070 -0.298 78 H LEU 15 H LEU 15 -6.792 1.184 2.830 79 HA LEU 15 HA LEU 15 -5.412 -0.243 0.774 80 HB2 LEU 15 1HB LEU 15 -4.367 1.391 2.350 81 HB3 LEU 15 2HB LEU 15 -4.558 0.195 3.630 82 HG LEU 15 HG LEU 15 -3.058 -1.326 2.404 83 HD11 LEU 15 1HD1 LEU 15 -3.128 0.900 0.422 84 HD12 LEU 15 2HD1 LEU 15 -3.187 -0.843 0.163 85 HD13 LEU 15 3HD1 LEU 15 -1.662 -0.066 0.590 86 HD21 LEU 15 3HD2 LEU 15 -2.283 1.301 3.467 87 HD22 LEU 15 1HD2 LEU 15 -1.057 0.498 2.486 88 HD23 LEU 15 2HD2 LEU 15 -1.724 -0.314 3.903 89 H THR 16 H THR 16 -6.283 -2.234 0.406 90 HA THR 16 HA THR 16 -6.190 -4.137 2.656 91 HB THR 16 HB THR 16 -8.077 -4.320 0.304 92 HG1 THR 16 1HG THR 16 -9.658 -3.575 1.747 93 HG21 THR 16 3HG2 THR 16 -7.534 -5.972 2.717 94 HG22 THR 16 1HG2 THR 16 -7.971 -6.470 1.083 95 HG23 THR 16 2HG2 THR 16 -9.204 -5.832 2.170 96 H VAL 17 H VAL 17 -5.141 -6.033 2.339 97 HA VAL 17 HA VAL 17 -3.976 -6.482 -0.333 98 HB VAL 17 HB VAL 17 -2.790 -7.228 2.345 99 HG11 VAL 17 1HG1 VAL 17 -2.328 -8.751 0.369 100 HG12 VAL 17 2HG1 VAL 17 -1.463 -7.390 -0.348 101 HG13 VAL 17 3HG1 VAL 17 -0.920 -8.073 1.185 102 HG21 VAL 17 3HG2 VAL 17 -1.088 -5.509 0.923 103 HG22 VAL 17 1HG2 VAL 17 -2.698 -4.796 0.823 104 HG23 VAL 17 2HG2 VAL 17 -1.989 -5.155 2.397 105 H ILE 18 H ILE 18 -4.393 -8.364 -1.302 106 HA ILE 18 HA ILE 18 -5.254 -10.652 0.315 107 HB ILE 18 HB ILE 18 -7.046 -11.169 -1.312 108 HG12 ILE 18 1HG1 ILE 18 -6.767 -8.340 -2.306 109 HG13 ILE 18 2HG1 ILE 18 -5.961 -9.681 -3.111 110 HG21 ILE 18 1HG2 ILE 18 -8.496 -10.132 0.026 111 HG22 ILE 18 2HG2 ILE 18 -7.094 -9.399 0.802 112 HG23 ILE 18 3HG2 ILE 18 -7.944 -8.536 -0.480 113 HD11 ILE 18 3HD1 ILE 18 -8.195 -10.760 -3.366 114 HD12 ILE 18 1HD1 ILE 18 -8.915 -9.271 -2.754 115 HD13 ILE 18 2HD1 ILE 18 -7.993 -9.251 -4.257 116 H THR 19 H THR 19 -4.744 -12.654 -0.528 117 HA THR 19 HA THR 19 -2.612 -12.691 -2.451 118 HB THR 19 HB THR 19 -2.610 -14.201 -0.495 119 HG1 THR 19 1HG THR 19 -2.699 -15.506 -3.031 120 HG21 THR 19 3HG2 THR 19 -5.074 -14.639 -0.526 121 HG22 THR 19 1HG2 THR 19 -4.084 -16.087 -0.356 122 HG23 THR 19 2HG2 THR 19 -4.814 -15.696 -1.913 123 H ARG 20 H ARG 20 -2.752 -13.028 -4.572 124 HA ARG 20 HA ARG 20 -5.154 -13.097 -5.966 125 HB2 ARG 20 1HB ARG 20 -2.314 -13.687 -6.677 126 HB3 ARG 20 2HB ARG 20 -3.574 -14.105 -7.831 127 HG2 ARG 20 1HG ARG 20 -4.332 -11.615 -7.345 128 HG3 ARG 20 2HG ARG 20 -2.624 -11.446 -6.934 129 HD2 ARG 20 1HD ARG 20 -2.829 -10.898 -9.231 130 HD3 ARG 20 2HD ARG 20 -2.097 -12.501 -9.156 131 HE ARG 20 HE ARG 20 -4.948 -12.588 -9.409 132 HH11 ARG 20 1HH1 ARG 20 -1.955 -12.255 -11.156 133 HH12 ARG 20 2HH1 ARG 20 -2.607 -12.849 -12.647 134 HH21 ARG 20 1HH2 ARG 20 -5.819 -13.372 -11.367 135 HH22 ARG 20 2HH2 ARG 20 -4.806 -13.483 -12.766 136 H GLU 21 H GLU 21 -6.199 -14.748 -7.164 137 HA GLU 21 HA GLU 21 -6.267 -17.274 -5.785 138 HB2 GLU 21 1HB GLU 21 -8.213 -17.742 -7.020 139 HB3 GLU 21 2HB GLU 21 -8.274 -16.009 -6.734 140 HG2 GLU 21 1HG GLU 21 -7.348 -15.651 -9.003 141 HG3 GLU 21 2HG GLU 21 -7.450 -17.389 -9.276 142 H GLY 22 H GLY 22 -4.906 -16.020 -8.727 143 HA2 GLY 22 1HA GLY 22 -4.415 -18.651 -9.849 144 HA3 GLY 22 2HA GLY 22 -3.929 -17.111 -10.543 145 H LYS 23 H LYS 23 -2.739 -16.354 -7.873 146 HA LYS 23 HA LYS 23 -0.490 -18.193 -7.673 147 HB2 LYS 23 1HB LYS 23 -0.199 -15.294 -8.470 148 HB3 LYS 23 2HB LYS 23 1.134 -16.289 -7.900 149 HG2 LYS 23 1HG LYS 23 -0.502 -17.222 -10.210 150 HG3 LYS 23 2HG LYS 23 0.718 -15.969 -10.451 151 HD2 LYS 23 1HD LYS 23 2.395 -17.478 -9.412 152 HD3 LYS 23 2HD LYS 23 1.159 -18.736 -9.331 153 HE2 LYS 23 1HE LYS 23 2.443 -19.156 -11.282 154 HE3 LYS 23 2HE LYS 23 0.901 -18.493 -11.820 155 HZ1 LYS 23 3HZ LYS 23 3.285 -17.605 -12.640 156 HZ2 LYS 23 1HZ LYS 23 2.983 -16.536 -11.364 157 HZ3 LYS 23 2HZ LYS 23 1.879 -16.666 -12.638 158 HA PRO 24 HA PRO 24 -1.155 -17.056 -3.436 159 HB2 PRO 24 1HB PRO 24 0.919 -18.472 -2.405 160 HB3 PRO 24 2HB PRO 24 -0.590 -19.226 -2.934 161 HG2 PRO 24 1HG PRO 24 2.028 -19.015 -4.372 162 HG3 PRO 24 2HG PRO 24 0.931 -20.403 -4.242 163 HD2 PRO 24 1HD PRO 24 1.018 -18.815 -6.433 164 HD3 PRO 24 2HD PRO 24 -0.474 -19.606 -5.886 165 H ARG 25 H ARG 25 2.226 -17.140 -4.588 166 HA ARG 25 HA ARG 25 3.250 -15.324 -2.727 167 HB2 ARG 25 1HB ARG 25 4.171 -15.982 -5.528 168 HB3 ARG 25 2HB ARG 25 5.097 -15.005 -4.397 169 HG2 ARG 25 1HG ARG 25 5.550 -16.803 -3.011 170 HG3 ARG 25 2HG ARG 25 4.199 -17.751 -3.636 171 HD2 ARG 25 1HD ARG 25 5.356 -18.044 -5.751 172 HD3 ARG 25 2HD ARG 25 6.684 -17.031 -5.187 173 HE ARG 25 HE ARG 25 6.160 -19.324 -3.525 174 HH11 ARG 25 1HH1 ARG 25 7.882 -18.109 -6.296 175 HH12 ARG 25 2HH1 ARG 25 9.120 -19.317 -6.221 176 HH21 ARG 25 1HH2 ARG 25 7.785 -20.921 -3.415 177 HH22 ARG 25 2HH2 ARG 25 9.064 -20.918 -4.582 178 H ALA 26 H ALA 26 1.075 -14.784 -5.222 179 HA ALA 26 HA ALA 26 1.862 -11.989 -5.597 180 HB1 ALA 26 3HB ALA 26 0.612 -13.940 -7.253 181 HB2 ALA 26 1HB ALA 26 -0.490 -12.577 -7.052 182 HB3 ALA 26 2HB ALA 26 1.142 -12.310 -7.669 183 H VAL 27 H VAL 27 0.332 -10.278 -5.318 184 HA VAL 27 HA VAL 27 -2.091 -10.843 -3.815 185 HB VAL 27 HB VAL 27 -1.563 -9.386 -1.961 186 HG11 VAL 27 1HG1 VAL 27 -0.135 -10.807 -0.766 187 HG12 VAL 27 2HG1 VAL 27 -0.855 -11.844 -1.999 188 HG13 VAL 27 3HG1 VAL 27 0.788 -11.236 -2.206 189 HG21 VAL 27 3HG2 VAL 27 1.304 -9.155 -2.645 190 HG22 VAL 27 1HG2 VAL 27 0.188 -8.147 -3.567 191 HG23 VAL 27 2HG2 VAL 27 0.241 -8.023 -1.808 192 H ILE 28 H ILE 28 -3.569 -9.111 -3.777 193 HA ILE 28 HA ILE 28 -2.968 -7.006 -5.745 194 HB ILE 28 HB ILE 28 -5.722 -7.852 -4.869 195 HG12 ILE 28 1HG1 ILE 28 -4.483 -9.779 -5.844 196 HG13 ILE 28 2HG1 ILE 28 -5.854 -9.273 -6.825 197 HG21 ILE 28 1HG2 ILE 28 -6.508 -6.394 -6.383 198 HG22 ILE 28 2HG2 ILE 28 -4.913 -5.656 -6.246 199 HG23 ILE 28 3HG2 ILE 28 -5.253 -6.784 -7.558 200 HD11 ILE 28 3HD1 ILE 28 -4.542 -8.978 -8.576 201 HD12 ILE 28 1HD1 ILE 28 -3.499 -7.885 -7.666 202 HD13 ILE 28 2HD1 ILE 28 -3.200 -9.623 -7.631 203 H VAL 29 H VAL 29 -2.101 -5.443 -4.419 204 HA VAL 29 HA VAL 29 -3.411 -4.649 -1.977 205 HB VAL 29 HB VAL 29 -1.169 -3.264 -3.455 206 HG11 VAL 29 1HG1 VAL 29 -1.691 -1.650 -1.975 207 HG12 VAL 29 2HG1 VAL 29 -2.589 -2.752 -0.931 208 HG13 VAL 29 3HG1 VAL 29 -0.829 -2.683 -0.835 209 HG21 VAL 29 3HG2 VAL 29 -0.601 -5.583 -2.867 210 HG22 VAL 29 1HG2 VAL 29 0.340 -4.416 -1.938 211 HG23 VAL 29 2HG2 VAL 29 -1.020 -5.250 -1.187 212 H SER 30 H SER 30 -5.331 -3.669 -2.190 213 HA SER 30 HA SER 30 -5.729 -1.706 -4.319 214 HB2 SER 30 1HB SER 30 -8.077 -1.854 -3.827 215 HB3 SER 30 2HB SER 30 -7.440 -3.498 -3.862 216 HG SER 30 HG SER 30 -8.852 -2.911 -2.035 217 H TRP 31 H TRP 31 -7.028 0.279 -3.680 218 HA TRP 31 HA TRP 31 -6.950 1.305 -1.064 219 HB2 TRP 31 1HB TRP 31 -5.136 2.901 -1.202 220 HB3 TRP 31 2HB TRP 31 -4.500 1.285 -1.496 221 HD1 TRP 31 HD TRP 31 -5.291 4.562 -3.342 222 HE1 TRP 31 1HE TRP 31 -3.950 4.602 -5.538 223 HE3 TRP 31 3HE TRP 31 -3.368 -0.172 -3.203 224 HZ2 TRP 31 2HZ TRP 31 -2.296 2.856 -7.016 225 HZ3 TRP 31 3HZ TRP 31 -1.916 -0.910 -5.047 226 HH2 TRP 31 HH TRP 31 -1.392 0.574 -6.914 227 H GLN 32 H GLN 32 -6.925 3.929 -1.303 228 HA GLN 32 HA GLN 32 -8.418 4.703 -3.688 229 HB2 GLN 32 1HB GLN 32 -9.493 4.728 -0.885 230 HB3 GLN 32 2HB GLN 32 -10.066 5.893 -2.071 231 HG2 GLN 32 1HG GLN 32 -10.318 3.608 -3.477 232 HG3 GLN 32 2HG GLN 32 -10.587 3.011 -1.840 233 HE21 GLN 32 1HE2 GLN 32 -11.582 5.593 -4.048 234 HE22 GLN 32 2HE2 GLN 32 -13.219 5.667 -3.503 235 HA PRO 33 HA PRO 33 -6.285 8.515 -3.292 236 HB2 PRO 33 1HB PRO 33 -8.117 10.286 -4.228 237 HB3 PRO 33 2HB PRO 33 -7.260 9.147 -5.274 238 HG2 PRO 33 1HG PRO 33 -10.019 8.960 -4.127 239 HG3 PRO 33 2HG PRO 33 -9.460 8.574 -5.765 240 HD2 PRO 33 1HD PRO 33 -9.896 6.671 -3.888 241 HD3 PRO 33 2HD PRO 33 -8.643 6.512 -5.135 242 HA PRO 34 HA PRO 34 -7.466 10.120 0.679 243 HB2 PRO 34 1HB PRO 34 -5.543 12.029 0.840 244 HB3 PRO 34 2HB PRO 34 -5.214 10.310 1.092 245 HG2 PRO 34 1HG PRO 34 -4.774 11.984 -1.350 246 HG3 PRO 34 2HG PRO 34 -3.713 10.762 -0.626 247 HD2 PRO 34 1HD PRO 34 -5.271 10.247 -2.780 248 HD3 PRO 34 2HD PRO 34 -4.879 9.011 -1.567 249 H LEU 35 H LEU 35 -8.223 12.116 1.620 250 HA LEU 35 HA LEU 35 -9.760 13.678 -0.227 251 HB2 LEU 35 1HB LEU 35 -9.461 13.536 2.731 252 HB3 LEU 35 2HB LEU 35 -10.179 14.985 2.028 253 HG LEU 35 HG LEU 35 -11.919 13.478 2.738 254 HD11 LEU 35 1HD1 LEU 35 -13.190 13.909 0.955 255 HD12 LEU 35 2HD1 LEU 35 -12.172 12.950 -0.119 256 HD13 LEU 35 3HD1 LEU 35 -11.734 14.617 0.255 257 HD21 LEU 35 3HD2 LEU 35 -10.197 11.463 2.131 258 HD22 LEU 35 1HD2 LEU 35 -11.332 11.372 0.784 259 HD23 LEU 35 2HD2 LEU 35 -11.921 11.253 2.442 260 H GLU 36 H GLU 36 -7.092 14.388 2.017 261 HA GLU 36 HA GLU 36 -6.829 17.080 0.994 262 HB2 GLU 36 1HB GLU 36 -4.961 15.628 2.869 263 HB3 GLU 36 2HB GLU 36 -5.104 17.364 2.638 264 HG2 GLU 36 1HG GLU 36 -7.553 16.999 3.426 265 HG3 GLU 36 2HG GLU 36 -6.918 15.494 4.087 266 H ALA 37 H ALA 37 -6.519 15.169 -1.019 267 HA ALA 37 HA ALA 37 -3.957 14.319 -1.611 268 HB1 ALA 37 3HB ALA 37 -4.867 13.671 -3.541 269 HB2 ALA 37 1HB ALA 37 -6.380 14.329 -2.918 270 HB3 ALA 37 2HB ALA 37 -5.352 15.313 -3.961 271 H ASN 38 H ASN 38 -5.188 17.521 -1.507 272 HA ASN 38 HA ASN 38 -4.350 19.557 -2.118 273 HB2 ASN 38 1HB ASN 38 -1.865 18.050 -1.299 274 HB3 ASN 38 2HB ASN 38 -1.858 19.773 -1.661 275 HD21 ASN 38 1HD2 ASN 38 -1.199 18.525 0.822 276 HD22 ASN 38 2HD2 ASN 38 -2.319 19.110 2.001 277 H GLY 39 H GLY 39 -4.799 17.819 -4.320 278 HA2 GLY 39 1HA GLY 39 -4.159 18.946 -6.539 279 HA3 GLY 39 2HA GLY 39 -2.536 18.430 -6.105 280 H LYS 40 H LYS 40 -5.093 17.672 -7.979 281 HA LYS 40 HA LYS 40 -5.813 15.111 -7.848 282 HB2 LYS 40 1HB LYS 40 -6.448 16.390 -9.759 283 HB3 LYS 40 2HB LYS 40 -4.776 16.577 -10.273 284 HG2 LYS 40 1HG LYS 40 -4.898 13.932 -10.363 285 HG3 LYS 40 2HG LYS 40 -6.616 14.275 -10.587 286 HD2 LYS 40 1HD LYS 40 -5.688 14.169 -12.757 287 HD3 LYS 40 2HD LYS 40 -5.916 15.886 -12.414 288 HE2 LYS 40 1HE LYS 40 -3.499 15.911 -11.655 289 HE3 LYS 40 2HE LYS 40 -3.357 14.302 -12.361 290 HZ1 LYS 40 3HZ LYS 40 -4.500 16.369 -14.062 291 HZ2 LYS 40 1HZ LYS 40 -3.436 15.112 -14.450 292 HZ3 LYS 40 2HZ LYS 40 -2.851 16.517 -13.712 293 H ILE 41 H ILE 41 -4.780 13.314 -7.312 294 HA ILE 41 HA ILE 41 -2.019 12.971 -7.248 295 HB ILE 41 HB ILE 41 -4.031 10.741 -7.536 296 HG12 ILE 41 1HG1 ILE 41 -4.777 12.207 -5.758 297 HG13 ILE 41 2HG1 ILE 41 -4.087 10.751 -5.048 298 HG21 ILE 41 1HG2 ILE 41 -1.234 10.741 -7.309 299 HG22 ILE 41 2HG2 ILE 41 -1.857 10.240 -5.737 300 HG23 ILE 41 3HG2 ILE 41 -2.326 9.361 -7.192 301 HD11 ILE 41 3HD1 ILE 41 -1.921 12.154 -4.892 302 HD12 ILE 41 1HD1 ILE 41 -3.007 13.531 -5.084 303 HD13 ILE 41 2HD1 ILE 41 -3.217 12.423 -3.727 304 H THR 42 H THR 42 -0.521 12.356 -8.686 305 HA THR 42 HA THR 42 -1.446 11.622 -11.385 306 HB THR 42 HB THR 42 0.850 12.431 -12.117 307 HG1 THR 42 1HG THR 42 1.882 12.518 -10.112 308 HG21 THR 42 3HG2 THR 42 -0.438 14.812 -10.973 309 HG22 THR 42 1HG2 THR 42 -1.516 13.752 -11.879 310 HG23 THR 42 2HG2 THR 42 -0.077 14.416 -12.652 311 H ALA 43 H ALA 43 0.321 10.590 -8.653 312 HA ALA 43 HA ALA 43 0.896 8.058 -9.918 313 HB1 ALA 43 3HB ALA 43 2.858 9.586 -10.430 314 HB2 ALA 43 1HB ALA 43 3.221 9.525 -8.705 315 HB3 ALA 43 2HB ALA 43 3.235 8.044 -9.663 316 H TYR 44 H TYR 44 1.364 6.390 -8.425 317 HA TYR 44 HA TYR 44 0.957 7.118 -5.600 318 HB2 TYR 44 1HB TYR 44 -0.322 4.921 -7.209 319 HB3 TYR 44 2HB TYR 44 -0.202 4.818 -5.456 320 HD1 TYR 44 2HD TYR 44 -0.995 7.111 -4.250 321 HD2 TYR 44 1HD TYR 44 -2.309 5.718 -8.049 322 HE1 TYR 44 2HE TYR 44 -3.043 8.454 -4.027 323 HE2 TYR 44 1HE TYR 44 -4.361 7.058 -7.837 324 HH TYR 44 HH TYR 44 -5.739 8.021 -5.908 325 H ILE 45 H ILE 45 2.619 6.556 -4.377 326 HA ILE 45 HA ILE 45 4.404 4.414 -5.303 327 HB ILE 45 HB ILE 45 4.996 6.441 -3.151 328 HG12 ILE 45 1HG1 ILE 45 6.457 7.406 -5.106 329 HG13 ILE 45 2HG1 ILE 45 5.274 6.601 -6.132 330 HG21 ILE 45 1HG2 ILE 45 6.327 4.334 -3.223 331 HG22 ILE 45 2HG2 ILE 45 6.864 4.788 -4.839 332 HG23 ILE 45 3HG2 ILE 45 7.282 5.799 -3.456 333 HD11 ILE 45 3HD1 ILE 45 4.382 8.446 -3.961 334 HD12 ILE 45 1HD1 ILE 45 4.937 9.079 -5.510 335 HD13 ILE 45 2HD1 ILE 45 3.556 7.983 -5.449 336 H LEU 46 H LEU 46 4.138 2.501 -4.379 337 HA LEU 46 HA LEU 46 3.050 2.373 -1.652 338 HB2 LEU 46 1HB LEU 46 1.669 1.128 -3.057 339 HB3 LEU 46 2HB LEU 46 3.029 0.477 -3.970 340 HG LEU 46 HG LEU 46 3.581 -0.698 -1.680 341 HD11 LEU 46 1HD1 LEU 46 1.449 -1.372 -0.563 342 HD12 LEU 46 2HD1 LEU 46 0.638 -0.098 -1.474 343 HD13 LEU 46 3HD1 LEU 46 1.907 0.315 -0.321 344 HD21 LEU 46 3HD2 LEU 46 1.858 -2.518 -2.440 345 HD22 LEU 46 1HD2 LEU 46 3.243 -2.114 -3.455 346 HD23 LEU 46 2HD2 LEU 46 1.653 -1.447 -3.828 347 H PHE 47 H PHE 47 4.011 1.053 -0.084 348 HA PHE 47 HA PHE 47 6.698 0.042 -0.710 349 HB2 PHE 47 1HB PHE 47 6.028 1.547 1.823 350 HB3 PHE 47 2HB PHE 47 7.613 0.985 1.304 351 HD1 PHE 47 1HD PHE 47 4.841 3.092 -0.045 352 HD2 PHE 47 2HD PHE 47 9.033 2.580 0.488 353 HE1 PHE 47 1HE PHE 47 5.242 5.255 -1.147 354 HE2 PHE 47 2HE PHE 47 9.440 4.743 -0.612 355 HZ PHE 47 HZ PHE 47 7.543 6.084 -1.431 356 H TYR 48 H TYR 48 7.146 -1.921 0.102 357 HA TYR 48 HA TYR 48 5.536 -2.970 2.307 358 HB2 TYR 48 1HB TYR 48 5.102 -5.068 1.102 359 HB3 TYR 48 2HB TYR 48 4.374 -3.694 0.278 360 HD1 TYR 48 1HD TYR 48 6.980 -6.261 0.123 361 HD2 TYR 48 2HD TYR 48 5.215 -2.945 -1.875 362 HE1 TYR 48 1HE TYR 48 8.135 -6.904 -1.951 363 HE2 TYR 48 2HE TYR 48 6.364 -3.580 -3.955 364 HH TYR 48 HH TYR 48 7.365 -5.530 -4.984 365 H THR 49 H THR 49 6.559 -4.512 3.551 366 HA THR 49 HA THR 49 8.991 -5.784 2.771 367 HB THR 49 HB THR 49 9.836 -3.489 3.220 368 HG1 THR 49 1HG THR 49 11.323 -4.355 5.030 369 HG21 THR 49 3HG2 THR 49 8.367 -2.694 4.911 370 HG22 THR 49 1HG2 THR 49 9.959 -2.825 5.657 371 HG23 THR 49 2HG2 THR 49 8.736 -4.057 5.968 372 H LEU 50 H LEU 50 9.565 -7.434 4.157 373 HA LEU 50 HA LEU 50 7.550 -8.305 5.985 374 HB2 LEU 50 1HB LEU 50 9.156 -10.175 6.424 375 HB3 LEU 50 2HB LEU 50 8.673 -9.973 4.741 376 HG LEU 50 HG LEU 50 10.848 -8.785 4.355 377 HD11 LEU 50 1HD1 LEU 50 12.547 -9.625 6.230 378 HD12 LEU 50 2HD1 LEU 50 11.114 -9.409 7.234 379 HD13 LEU 50 3HD1 LEU 50 11.748 -8.054 6.300 380 HD21 LEU 50 3HD2 LEU 50 10.659 -11.659 5.158 381 HD22 LEU 50 1HD2 LEU 50 12.206 -10.975 4.655 382 HD23 LEU 50 2HD2 LEU 50 10.831 -10.953 3.550 383 H ASP 51 H ASP 51 10.424 -6.450 6.263 384 HA ASP 51 HA ASP 51 10.268 -6.643 9.201 385 HB2 ASP 51 1HB ASP 51 12.635 -6.387 7.372 386 HB3 ASP 51 2HB ASP 51 12.724 -5.789 9.027 387 H LYS 52 H LYS 52 9.931 -4.813 10.310 388 HA LYS 52 HA LYS 52 9.657 -2.334 8.781 389 HB2 LYS 52 1HB LYS 52 8.391 -1.510 10.713 390 HB3 LYS 52 2HB LYS 52 7.731 -3.027 10.115 391 HG2 LYS 52 1HG LYS 52 8.797 -4.240 11.917 392 HG3 LYS 52 2HG LYS 52 9.559 -2.755 12.493 393 HD2 LYS 52 1HD LYS 52 7.664 -3.125 13.872 394 HD3 LYS 52 2HD LYS 52 7.237 -1.810 12.773 395 HE2 LYS 52 1HE LYS 52 6.261 -3.694 11.290 396 HE3 LYS 52 2HE LYS 52 6.317 -4.662 12.763 397 HZ1 LYS 52 3HZ LYS 52 5.149 -2.098 13.215 398 HZ2 LYS 52 1HZ LYS 52 4.531 -3.636 13.554 399 HZ3 LYS 52 2HZ LYS 52 4.314 -2.956 12.020 400 H ASN 53 H ASN 53 11.555 -3.799 11.292 401 HA ASN 53 HA ASN 53 12.620 -1.746 12.705 402 HB2 ASN 53 1HB ASN 53 14.127 -4.083 11.513 403 HB3 ASN 53 2HB ASN 53 14.744 -3.046 12.796 404 HD21 ASN 53 1HD2 ASN 53 12.812 -2.737 14.525 405 HD22 ASN 53 2HD2 ASN 53 12.236 -4.244 15.143 406 H ILE 54 H ILE 54 13.256 -2.520 9.349 407 HA ILE 54 HA ILE 54 15.435 -0.675 9.071 408 HB ILE 54 HB ILE 54 15.008 -1.034 6.585 409 HG12 ILE 54 1HG1 ILE 54 13.204 -3.236 7.598 410 HG13 ILE 54 2HG1 ILE 54 12.601 -1.714 6.952 411 HG21 ILE 54 1HG2 ILE 54 15.487 -3.526 8.209 412 HG22 ILE 54 2HG2 ILE 54 16.089 -3.168 6.591 413 HG23 ILE 54 3HG2 ILE 54 16.684 -2.252 7.975 414 HD11 ILE 54 3HD1 ILE 54 14.369 -2.635 5.025 415 HD12 ILE 54 1HD1 ILE 54 13.507 -4.074 5.571 416 HD13 ILE 54 2HD1 ILE 54 12.607 -2.684 4.963 417 HA PRO 55 HA PRO 55 13.290 3.078 8.302 418 HB2 PRO 55 1HB PRO 55 14.893 4.240 6.445 419 HB3 PRO 55 2HB PRO 55 15.348 4.087 8.146 420 HG2 PRO 55 1HG PRO 55 16.148 2.392 5.812 421 HG3 PRO 55 2HG PRO 55 17.145 2.999 7.147 422 HD2 PRO 55 1HD PRO 55 16.197 0.464 7.073 423 HD3 PRO 55 2HD PRO 55 16.436 1.349 8.593 424 H ILE 56 H ILE 56 11.621 3.742 7.077 425 HA ILE 56 HA ILE 56 10.383 2.328 5.158 426 HB ILE 56 HB ILE 56 9.489 4.413 6.168 427 HG12 ILE 56 1HG1 ILE 56 8.299 5.192 4.098 428 HG13 ILE 56 2HG1 ILE 56 9.389 4.183 3.154 429 HG21 ILE 56 1HG2 ILE 56 11.676 5.670 5.551 430 HG22 ILE 56 2HG2 ILE 56 10.860 5.971 4.017 431 HG23 ILE 56 3HG2 ILE 56 10.140 6.537 5.524 432 HD11 ILE 56 3HD1 ILE 56 8.383 2.467 5.071 433 HD12 ILE 56 1HD1 ILE 56 7.005 3.469 4.618 434 HD13 ILE 56 2HD1 ILE 56 7.887 2.572 3.382 435 H ASP 57 H ASP 57 13.249 4.227 4.717 436 HA ASP 57 HA ASP 57 13.149 4.435 1.887 437 HB2 ASP 57 1HB ASP 57 14.586 5.952 3.000 438 HB3 ASP 57 2HB ASP 57 15.383 4.663 3.897 439 H ASP 58 H ASP 58 14.783 2.176 4.087 440 HA ASP 58 HA ASP 58 16.047 0.630 2.115 441 HB2 ASP 58 1HB ASP 58 16.232 0.663 4.766 442 HB3 ASP 58 2HB ASP 58 15.098 -0.677 4.622 443 H TRP 59 H TRP 59 12.769 0.748 3.180 444 HA TRP 59 HA TRP 59 11.875 -1.810 2.522 445 HB2 TRP 59 1HB TRP 59 10.414 0.832 2.324 446 HB3 TRP 59 2HB TRP 59 9.643 -0.750 2.246 447 HD1 TRP 59 HD TRP 59 12.435 -0.206 4.776 448 HE1 TRP 59 1HE TRP 59 11.432 -0.240 7.146 449 HE3 TRP 59 3HE TRP 59 7.471 -0.225 3.555 450 HZ2 TRP 59 2HZ TRP 59 8.874 -0.271 8.340 451 HZ3 TRP 59 3HZ TRP 59 5.810 -0.258 5.370 452 HH2 TRP 59 HH TRP 59 6.499 -0.280 7.712 453 H ILE 60 H ILE 60 10.168 -2.073 0.649 454 HA ILE 60 HA ILE 60 11.629 -1.501 -1.823 455 HB ILE 60 HB ILE 60 9.382 -3.449 -1.294 456 HG12 ILE 60 1HG1 ILE 60 11.422 -5.010 -1.979 457 HG13 ILE 60 2HG1 ILE 60 12.359 -3.656 -1.355 458 HG21 ILE 60 1HG2 ILE 60 10.986 -3.721 -3.736 459 HG22 ILE 60 2HG2 ILE 60 9.252 -3.914 -3.487 460 HG23 ILE 60 3HG2 ILE 60 9.939 -2.303 -3.688 461 HD11 ILE 60 3HD1 ILE 60 12.156 -4.724 0.595 462 HD12 ILE 60 1HD1 ILE 60 10.550 -3.998 0.630 463 HD13 ILE 60 2HD1 ILE 60 10.757 -5.653 0.058 464 H MET 61 H MET 61 11.032 0.486 -2.523 465 HA MET 61 HA MET 61 8.289 1.368 -2.418 466 HB2 MET 61 1HB MET 61 10.128 2.961 -2.107 467 HB3 MET 61 2HB MET 61 10.709 2.619 -3.731 468 HG2 MET 61 1HG MET 61 8.153 3.325 -4.250 469 HG3 MET 61 2HG MET 61 8.491 4.314 -2.831 470 HE1 MET 61 3HE MET 61 10.592 2.929 -5.681 471 HE2 MET 61 1HE MET 61 9.488 3.799 -6.745 472 HE3 MET 61 2HE MET 61 11.156 4.344 -6.571 473 H GLU 62 H GLU 62 6.835 1.467 -4.061 474 HA GLU 62 HA GLU 62 7.701 0.526 -6.710 475 HB2 GLU 62 1HB GLU 62 5.554 -0.546 -4.953 476 HB3 GLU 62 2HB GLU 62 5.225 -0.472 -6.678 477 HG2 GLU 62 1HG GLU 62 7.334 -2.034 -5.239 478 HG3 GLU 62 2HG GLU 62 6.070 -2.615 -6.322 479 H THR 63 H THR 63 7.124 1.838 -8.309 480 HA THR 63 HA THR 63 5.397 4.095 -7.751 481 HB THR 63 HB THR 63 6.859 3.381 -10.301 482 HG1 THR 63 1HG THR 63 8.338 3.810 -8.662 483 HG21 THR 63 3HG2 THR 63 4.825 5.248 -9.870 484 HG22 THR 63 1HG2 THR 63 5.919 5.168 -11.250 485 HG23 THR 63 2HG2 THR 63 6.319 6.183 -9.865 486 H ILE 64 H ILE 64 3.400 4.466 -8.582 487 HA ILE 64 HA ILE 64 2.297 2.518 -10.481 488 HB ILE 64 HB ILE 64 0.723 3.475 -8.097 489 HG12 ILE 64 1HG1 ILE 64 1.742 0.675 -8.277 490 HG13 ILE 64 2HG1 ILE 64 2.849 1.928 -7.725 491 HG21 ILE 64 1HG2 ILE 64 -0.780 2.796 -9.724 492 HG22 ILE 64 2HG2 ILE 64 0.274 1.509 -10.305 493 HG23 ILE 64 3HG2 ILE 64 -0.566 1.332 -8.765 494 HD11 ILE 64 3HD1 ILE 64 1.728 2.251 -5.776 495 HD12 ILE 64 1HD1 ILE 64 0.171 1.791 -6.464 496 HD13 ILE 64 2HD1 ILE 64 1.355 0.550 -6.052 497 H SER 65 H SER 65 0.337 3.267 -11.561 498 HA SER 65 HA SER 65 0.570 6.031 -12.303 499 HB2 SER 65 1HB SER 65 -1.115 3.722 -13.209 500 HB3 SER 65 2HB SER 65 -1.552 5.361 -13.692 501 HG SER 65 HG SER 65 0.307 5.545 -14.809 502 H GLY 66 H GLY 66 -0.595 7.719 -11.614 503 HA2 GLY 66 1HA GLY 66 -2.124 7.657 -9.302 504 HA3 GLY 66 2HA GLY 66 -2.177 8.949 -10.492 505 H ASP 67 H ASP 67 -3.063 6.846 -12.517 506 HA ASP 67 HA ASP 67 -5.856 7.313 -12.232 507 HB2 ASP 67 1HB ASP 67 -4.298 5.556 -14.135 508 HB3 ASP 67 2HB ASP 67 -6.036 5.819 -14.244 509 H ARG 68 H ARG 68 -3.842 4.393 -11.985 510 HA ARG 68 HA ARG 68 -6.060 2.748 -11.192 511 HB2 ARG 68 1HB ARG 68 -3.107 2.143 -10.985 512 HB3 ARG 68 2HB ARG 68 -4.427 0.982 -10.944 513 HG2 ARG 68 1HG ARG 68 -4.908 1.299 -13.231 514 HG3 ARG 68 2HG ARG 68 -3.894 2.741 -13.318 515 HD2 ARG 68 1HD ARG 68 -1.921 1.320 -12.835 516 HD3 ARG 68 2HD ARG 68 -2.969 -0.096 -12.890 517 HE ARG 68 HE ARG 68 -3.434 1.029 -15.276 518 HH11 ARG 68 1HH1 ARG 68 -0.476 0.297 -13.593 519 HH12 ARG 68 2HH1 ARG 68 0.438 0.040 -15.042 520 HH21 ARG 68 1HH2 ARG 68 -2.242 0.693 -17.191 521 HH22 ARG 68 2HH2 ARG 68 -0.567 0.267 -17.088 522 H LEU 69 H LEU 69 -6.312 1.717 -9.149 523 HA LEU 69 HA LEU 69 -5.065 3.176 -6.913 524 HB2 LEU 69 1HB LEU 69 -7.885 2.147 -7.163 525 HB3 LEU 69 2HB LEU 69 -7.183 2.754 -5.665 526 HG LEU 69 HG LEU 69 -7.461 4.417 -8.162 527 HD11 LEU 69 1HD1 LEU 69 -9.459 5.332 -7.304 528 HD12 LEU 69 2HD1 LEU 69 -9.267 4.502 -5.760 529 HD13 LEU 69 3HD1 LEU 69 -9.650 3.581 -7.215 530 HD21 LEU 69 3HD2 LEU 69 -6.841 5.060 -5.284 531 HD22 LEU 69 1HD2 LEU 69 -7.222 6.270 -6.510 532 HD23 LEU 69 2HD2 LEU 69 -5.784 5.263 -6.682 533 H THR 70 H THR 70 -4.602 0.500 -8.365 534 HA THR 70 HA THR 70 -4.381 -1.090 -5.902 535 HB THR 70 HB THR 70 -5.102 -3.091 -6.939 536 HG1 THR 70 1HG THR 70 -4.110 -2.684 -9.003 537 HG21 THR 70 3HG2 THR 70 -7.382 -2.599 -7.638 538 HG22 THR 70 1HG2 THR 70 -6.956 -0.909 -7.902 539 HG23 THR 70 2HG2 THR 70 -6.929 -1.581 -6.271 540 H HIS 71 H HIS 71 -2.734 -2.774 -6.008 541 HA HIS 71 HA HIS 71 -0.762 -2.520 -8.138 542 HB2 HIS 71 1HB HIS 71 0.061 -0.866 -6.627 543 HB3 HIS 71 2HB HIS 71 -0.197 -1.914 -5.236 544 HD1 HIS 71 1HD HIS 71 2.090 -1.484 -8.201 545 HD2 HIS 71 2HD HIS 71 1.887 -3.618 -4.641 546 HE1 HIS 71 1HE HIS 71 4.351 -2.549 -7.925 547 HE2 HIS 71 2HE HIS 71 4.177 -3.904 -5.809 548 H GLN 72 H GLN 72 -0.091 -4.475 -8.714 549 HA GLN 72 HA GLN 72 -0.547 -6.713 -6.882 550 HB2 GLN 72 1HB GLN 72 -1.466 -6.707 -9.250 551 HB3 GLN 72 2HB GLN 72 0.195 -6.876 -9.800 552 HG2 GLN 72 1HG GLN 72 0.289 -8.931 -8.279 553 HG3 GLN 72 2HG GLN 72 -1.469 -8.816 -8.242 554 HE21 GLN 72 1HE2 GLN 72 0.609 -10.704 -9.470 555 HE22 GLN 72 2HE2 GLN 72 0.041 -10.925 -11.086 556 H ILE 73 H ILE 73 1.075 -7.753 -5.922 557 HA ILE 73 HA ILE 73 3.818 -7.130 -6.791 558 HB ILE 73 HB ILE 73 2.877 -8.070 -4.079 559 HG12 ILE 73 1HG1 ILE 73 4.104 -5.393 -4.601 560 HG13 ILE 73 2HG1 ILE 73 2.401 -5.634 -4.975 561 HG21 ILE 73 1HG2 ILE 73 5.034 -8.849 -4.173 562 HG22 ILE 73 2HG2 ILE 73 5.566 -7.567 -5.260 563 HG23 ILE 73 3HG2 ILE 73 5.299 -7.221 -3.551 564 HD11 ILE 73 3HD1 ILE 73 3.759 -5.867 -2.309 565 HD12 ILE 73 1HD1 ILE 73 2.505 -4.729 -2.801 566 HD13 ILE 73 2HD1 ILE 73 2.119 -6.440 -2.610 567 H MET 74 H MET 74 5.373 -8.788 -6.875 568 HA MET 74 HA MET 74 4.342 -11.536 -6.747 569 HB2 MET 74 1HB MET 74 5.979 -10.370 -9.006 570 HB3 MET 74 2HB MET 74 5.586 -12.074 -8.824 571 HG2 MET 74 1HG MET 74 3.121 -11.108 -8.744 572 HG3 MET 74 2HG MET 74 3.876 -9.806 -9.660 573 HE1 MET 74 3HE MET 74 5.103 -10.519 -12.411 574 HE2 MET 74 1HE MET 74 3.481 -10.850 -13.020 575 HE3 MET 74 2HE MET 74 3.720 -9.636 -11.764 576 H ASP 75 H ASP 75 6.230 -13.140 -6.940 577 HA ASP 75 HA ASP 75 8.085 -14.023 -5.961 578 HB2 ASP 75 1HB ASP 75 9.173 -11.255 -6.518 579 HB3 ASP 75 2HB ASP 75 10.150 -12.650 -6.069 580 H LEU 76 H LEU 76 6.291 -13.465 -4.101 581 HA LEU 76 HA LEU 76 7.642 -11.934 -1.994 582 HB2 LEU 76 1HB LEU 76 4.809 -12.843 -2.383 583 HB3 LEU 76 2HB LEU 76 5.395 -12.302 -0.811 584 HG LEU 76 HG LEU 76 5.349 -10.637 -3.328 585 HD11 LEU 76 1HD1 LEU 76 3.516 -9.455 -2.348 586 HD12 LEU 76 2HD1 LEU 76 3.626 -10.406 -0.867 587 HD13 LEU 76 3HD1 LEU 76 3.112 -11.172 -2.371 588 HD21 LEU 76 3HD2 LEU 76 7.167 -9.997 -1.864 589 HD22 LEU 76 1HD2 LEU 76 6.072 -9.948 -0.482 590 HD23 LEU 76 2HD2 LEU 76 5.887 -8.785 -1.795 591 H ASN 77 H ASN 77 7.792 -12.819 0.147 592 HA ASN 77 HA ASN 77 8.735 -15.485 0.184 593 HB2 ASN 77 1HB ASN 77 8.223 -13.411 2.293 594 HB3 ASN 77 2HB ASN 77 8.643 -15.058 2.756 595 HD21 ASN 77 1HD2 ASN 77 10.433 -13.674 3.705 596 HD22 ASN 77 2HD2 ASN 77 11.844 -13.477 2.727 597 H LEU 78 H LEU 78 7.947 -17.190 1.658 598 HA LEU 78 HA LEU 78 5.010 -17.316 1.588 599 HB2 LEU 78 1HB LEU 78 7.118 -19.461 1.557 600 HB3 LEU 78 2HB LEU 78 5.410 -19.804 1.823 601 HG LEU 78 HG LEU 78 6.183 -20.222 -0.501 602 HD11 LEU 78 1HD1 LEU 78 4.054 -18.164 0.012 603 HD12 LEU 78 2HD1 LEU 78 3.865 -19.903 -0.216 604 HD13 LEU 78 3HD1 LEU 78 4.328 -18.881 -1.577 605 HD21 LEU 78 3HD2 LEU 78 6.755 -18.432 -1.955 606 HD22 LEU 78 1HD2 LEU 78 7.776 -18.279 -0.525 607 HD23 LEU 78 2HD2 LEU 78 6.376 -17.225 -0.725 608 H ASP 79 H ASP 79 3.862 -17.571 3.413 609 HA ASP 79 HA ASP 79 3.356 -17.647 5.630 610 HB2 ASP 79 1HB ASP 79 4.290 -19.956 5.337 611 HB3 ASP 79 2HB ASP 79 5.847 -19.341 5.884 612 H THR 80 H THR 80 4.674 -15.372 4.855 613 HA THR 80 HA THR 80 6.148 -14.708 7.302 614 HB THR 80 HB THR 80 7.048 -13.831 4.551 615 HG1 THR 80 1HG THR 80 7.481 -16.081 5.082 616 HG21 THR 80 3HG2 THR 80 8.579 -12.492 5.546 617 HG22 THR 80 1HG2 THR 80 8.805 -13.585 6.910 618 HG23 THR 80 2HG2 THR 80 7.415 -12.501 6.871 619 H MET 81 H MET 81 5.523 -12.839 8.203 620 HA MET 81 HA MET 81 3.294 -11.427 7.178 621 HB2 MET 81 1HB MET 81 3.856 -11.657 9.600 622 HB3 MET 81 2HB MET 81 5.196 -10.547 9.354 623 HG2 MET 81 1HG MET 81 3.177 -9.493 10.319 624 HG3 MET 81 2HG MET 81 3.713 -8.763 8.808 625 HE1 MET 81 3HE MET 81 0.612 -10.726 10.533 626 HE2 MET 81 1HE MET 81 0.212 -11.716 9.130 627 HE3 MET 81 2HE MET 81 1.797 -11.863 9.888 628 H TYR 82 H TYR 82 3.144 -9.604 5.998 629 HA TYR 82 HA TYR 82 5.630 -8.153 5.379 630 HB2 TYR 82 1HB TYR 82 3.643 -9.372 3.539 631 HB3 TYR 82 2HB TYR 82 4.279 -7.794 3.088 632 HD1 TYR 82 1HD TYR 82 6.986 -7.687 3.503 633 HD2 TYR 82 2HD TYR 82 4.713 -11.162 2.574 634 HE1 TYR 82 1HE TYR 82 9.005 -8.756 2.593 635 HE2 TYR 82 2HE TYR 82 6.726 -12.241 1.662 636 HH TYR 82 HH TYR 82 8.993 -11.329 0.623 637 H TYR 83 H TYR 83 5.481 -6.131 6.060 638 HA TYR 83 HA TYR 83 2.961 -4.927 6.707 639 HB2 TYR 83 1HB TYR 83 5.660 -3.576 6.607 640 HB3 TYR 83 2HB TYR 83 4.244 -3.070 7.520 641 HD1 TYR 83 1HD TYR 83 3.388 -5.588 8.768 642 HD2 TYR 83 2HD TYR 83 7.298 -4.008 8.202 643 HE1 TYR 83 1HE TYR 83 4.181 -6.870 10.712 644 HE2 TYR 83 2HE TYR 83 8.102 -5.286 10.144 645 HH TYR 83 HH TYR 83 7.386 -6.417 12.027 646 H PHE 84 H PHE 84 1.819 -3.425 5.609 647 HA PHE 84 HA PHE 84 2.827 -2.674 2.947 648 HB2 PHE 84 1HB PHE 84 0.036 -3.169 3.963 649 HB3 PHE 84 2HB PHE 84 0.332 -2.283 2.471 650 HD1 PHE 84 1HD PHE 84 1.332 -3.406 0.538 651 HD2 PHE 84 2HD PHE 84 0.334 -5.533 4.087 652 HE1 PHE 84 1HE PHE 84 1.491 -5.530 -0.694 653 HE2 PHE 84 2HE PHE 84 0.492 -7.660 2.861 654 HZ PHE 84 HZ PHE 84 1.072 -7.661 0.467 655 H ARG 85 H ARG 85 3.069 -0.580 2.452 656 HA ARG 85 HA ARG 85 1.670 1.467 3.974 657 HB2 ARG 85 1HB ARG 85 4.619 0.998 4.085 658 HB3 ARG 85 2HB ARG 85 4.026 2.653 4.119 659 HG2 ARG 85 1HG ARG 85 2.643 2.094 6.076 660 HG3 ARG 85 2HG ARG 85 3.314 0.462 6.057 661 HD2 ARG 85 1HD ARG 85 5.359 1.145 6.812 662 HD3 ARG 85 2HD ARG 85 5.211 2.746 6.088 663 HE ARG 85 HE ARG 85 3.366 2.867 8.011 664 HH11 ARG 85 1HH1 ARG 85 6.658 1.734 8.067 665 HH12 ARG 85 2HH1 ARG 85 6.913 2.160 9.727 666 HH21 ARG 85 1HH2 ARG 85 3.690 3.432 10.197 667 HH22 ARG 85 2HH2 ARG 85 5.224 3.125 10.938 668 H ILE 86 H ILE 86 0.709 2.497 2.339 669 HA ILE 86 HA ILE 86 2.352 3.234 0.005 670 HB ILE 86 HB ILE 86 0.497 1.733 -0.575 671 HG12 ILE 86 1HG1 ILE 86 -0.088 4.524 -1.571 672 HG13 ILE 86 2HG1 ILE 86 1.300 3.582 -2.106 673 HG21 ILE 86 1HG2 ILE 86 -0.980 3.564 1.132 674 HG22 ILE 86 2HG2 ILE 86 -1.783 3.270 -0.409 675 HG23 ILE 86 3HG2 ILE 86 -1.366 1.915 0.639 676 HD11 ILE 86 3HD1 ILE 86 -0.227 3.167 -3.764 677 HD12 ILE 86 1HD1 ILE 86 -0.492 1.793 -2.692 678 HD13 ILE 86 2HD1 ILE 86 -1.597 3.167 -2.654 679 H GLN 87 H GLN 87 1.635 5.274 -1.082 680 HA GLN 87 HA GLN 87 0.358 7.220 0.666 681 HB2 GLN 87 1HB GLN 87 2.239 8.835 0.339 682 HB3 GLN 87 2HB GLN 87 2.642 7.456 1.353 683 HG2 GLN 87 1HG GLN 87 3.581 6.409 -0.791 684 HG3 GLN 87 2HG GLN 87 3.509 8.042 -1.450 685 HE21 GLN 87 1HE2 GLN 87 4.074 9.275 1.129 686 HE22 GLN 87 2HE2 GLN 87 5.760 9.031 1.418 687 H ALA 88 H ALA 88 0.626 9.500 -0.608 688 HA ALA 88 HA ALA 88 -0.153 8.944 -3.397 689 HB1 ALA 88 3HB ALA 88 -1.426 10.669 -1.330 690 HB2 ALA 88 1HB ALA 88 -1.519 11.157 -3.023 691 HB3 ALA 88 2HB ALA 88 -2.166 9.595 -2.517 692 H ARG 89 H ARG 89 0.617 10.284 -4.985 693 HA ARG 89 HA ARG 89 2.327 12.527 -4.172 694 HB2 ARG 89 1HB ARG 89 3.939 10.853 -4.547 695 HB3 ARG 89 2HB ARG 89 3.075 10.210 -5.936 696 HG2 ARG 89 1HG ARG 89 3.623 12.239 -7.202 697 HG3 ARG 89 2HG ARG 89 4.523 12.846 -5.811 698 HD2 ARG 89 1HD ARG 89 6.095 11.047 -5.961 699 HD3 ARG 89 2HD ARG 89 5.127 10.239 -7.193 700 HE ARG 89 HE ARG 89 5.675 12.595 -8.357 701 HH11 ARG 89 1HH1 ARG 89 7.690 10.263 -6.738 702 HH12 ARG 89 2HH1 ARG 89 9.096 10.627 -7.683 703 HH21 ARG 89 1HH2 ARG 89 7.519 13.084 -9.608 704 HH22 ARG 89 2HH2 ARG 89 8.997 12.233 -9.315 705 H ASN 90 H ASN 90 1.942 14.325 -5.296 706 HA ASN 90 HA ASN 90 0.409 14.087 -7.799 707 HB2 ASN 90 1HB ASN 90 -0.313 16.468 -7.268 708 HB3 ASN 90 2HB ASN 90 -0.947 15.213 -6.207 709 HD21 ASN 90 1HD2 ASN 90 -1.306 16.663 -4.540 710 HD22 ASN 90 2HD2 ASN 90 -0.016 17.336 -3.608 711 H SER 91 H SER 91 0.714 16.067 -9.253 712 HA SER 91 HA SER 91 3.197 16.129 -10.350 713 HB2 SER 91 1HB SER 91 1.099 17.175 -11.287 714 HB3 SER 91 2HB SER 91 1.412 18.567 -10.252 715 HG SER 91 HG SER 91 2.430 19.124 -12.061 716 H LYS 92 H LYS 92 2.197 17.672 -7.442 717 HA LYS 92 HA LYS 92 4.414 19.525 -7.351 718 HB2 LYS 92 1HB LYS 92 2.439 18.751 -5.196 719 HB3 LYS 92 2HB LYS 92 3.563 20.101 -5.125 720 HG2 LYS 92 1HG LYS 92 1.620 19.951 -7.377 721 HG3 LYS 92 2HG LYS 92 1.065 20.474 -5.785 722 HD2 LYS 92 1HD LYS 92 2.506 22.331 -5.775 723 HD3 LYS 92 2HD LYS 92 3.476 21.691 -7.103 724 HE2 LYS 92 1HE LYS 92 1.490 21.943 -8.584 725 HE3 LYS 92 2HE LYS 92 0.647 22.727 -7.250 726 HZ1 LYS 92 3HZ LYS 92 2.478 23.844 -9.085 727 HZ2 LYS 92 1HZ LYS 92 3.085 24.015 -7.515 728 HZ3 LYS 92 2HZ LYS 92 1.554 24.623 -7.901 729 H GLY 93 H GLY 93 3.417 17.158 -4.888 730 HA2 GLY 93 1HA GLY 93 6.063 15.941 -4.929 731 HA3 GLY 93 2HA GLY 93 5.643 16.819 -3.466 732 H VAL 94 H VAL 94 5.959 14.720 -2.428 733 HA VAL 94 HA VAL 94 3.563 13.019 -2.681 734 HB VAL 94 HB VAL 94 5.568 11.829 -3.436 735 HG11 VAL 94 1HG1 VAL 94 6.803 11.581 -0.808 736 HG12 VAL 94 2HG1 VAL 94 7.540 11.876 -2.384 737 HG13 VAL 94 3HG1 VAL 94 6.871 13.219 -1.456 738 HG21 VAL 94 3HG2 VAL 94 5.441 10.105 -1.322 739 HG22 VAL 94 1HG2 VAL 94 3.937 11.009 -1.149 740 HG23 VAL 94 2HG2 VAL 94 4.287 10.161 -2.655 741 H GLY 95 H GLY 95 2.509 12.416 -0.831 742 HA2 GLY 95 1HA GLY 95 3.237 13.909 1.575 743 HA3 GLY 95 2HA GLY 95 1.698 13.116 1.270 744 HA PRO 96 HA PRO 96 4.083 10.527 4.283 745 HB2 PRO 96 1HB PRO 96 1.986 10.135 5.962 746 HB3 PRO 96 2HB PRO 96 3.055 11.538 6.072 747 HG2 PRO 96 1HG PRO 96 0.349 11.312 4.812 748 HG3 PRO 96 2HG PRO 96 1.005 12.608 5.829 749 HD2 PRO 96 1HD PRO 96 0.873 12.800 3.132 750 HD3 PRO 96 2HD PRO 96 2.162 13.567 4.081 751 H LEU 97 H LEU 97 3.041 8.386 5.355 752 HA LEU 97 HA LEU 97 1.669 6.960 3.172 753 HB2 LEU 97 1HB LEU 97 3.582 5.697 5.114 754 HB3 LEU 97 2HB LEU 97 2.946 5.020 3.616 755 HG LEU 97 HG LEU 97 4.254 7.114 2.598 756 HD11 LEU 97 1HD1 LEU 97 6.326 7.511 3.752 757 HD12 LEU 97 2HD1 LEU 97 5.885 6.368 5.020 758 HD13 LEU 97 3HD1 LEU 97 4.984 7.873 4.838 759 HD21 LEU 97 3HD2 LEU 97 5.203 5.382 1.590 760 HD22 LEU 97 1HD2 LEU 97 4.712 4.313 2.904 761 HD23 LEU 97 2HD2 LEU 97 6.255 5.164 2.990 762 H SER 98 H SER 98 0.518 4.966 3.917 763 HA SER 98 HA SER 98 -1.148 5.645 6.176 764 HB2 SER 98 1HB SER 98 -1.804 4.536 3.867 765 HB3 SER 98 2HB SER 98 -1.410 3.044 4.722 766 HG SER 98 HG SER 98 -3.653 3.774 4.869 767 H ASP 99 H ASP 99 -1.821 3.712 7.625 768 HA ASP 99 HA ASP 99 0.438 2.980 9.160 769 HB2 ASP 99 1HB ASP 99 -1.233 1.531 10.401 770 HB3 ASP 99 2HB ASP 99 -1.629 3.245 10.307 771 HA PRO 100 HA PRO 100 1.767 -0.735 7.221 772 HB2 PRO 100 1HB PRO 100 2.905 -1.977 9.350 773 HB3 PRO 100 2HB PRO 100 3.639 -0.585 8.545 774 HG2 PRO 100 1HG PRO 100 2.025 -0.682 11.064 775 HG3 PRO 100 2HG PRO 100 3.508 0.227 10.720 776 HD2 PRO 100 1HD PRO 100 1.053 1.368 10.665 777 HD3 PRO 100 2HD PRO 100 2.375 1.896 9.604 778 H ILE 101 H ILE 101 0.240 -2.138 6.582 779 HA ILE 101 HA ILE 101 -1.547 -3.384 8.495 780 HB ILE 101 HB ILE 101 -1.346 -3.671 5.496 781 HG12 ILE 101 1HG1 ILE 101 -3.403 -2.264 7.213 782 HG13 ILE 101 2HG1 ILE 101 -2.105 -1.458 6.339 783 HG21 ILE 101 1HG2 ILE 101 -2.234 -5.688 6.698 784 HG22 ILE 101 2HG2 ILE 101 -3.553 -4.674 7.280 785 HG23 ILE 101 3HG2 ILE 101 -3.351 -4.950 5.550 786 HD11 ILE 101 3HD1 ILE 101 -3.798 -3.208 4.706 787 HD12 ILE 101 1HD1 ILE 101 -4.607 -1.800 5.393 788 HD13 ILE 101 2HD1 ILE 101 -3.179 -1.589 4.379 789 H LEU 102 H LEU 102 -1.517 -5.476 9.146 790 HA LEU 102 HA LEU 102 0.864 -7.028 8.450 791 HB2 LEU 102 1HB LEU 102 -1.015 -6.968 10.754 792 HB3 LEU 102 2HB LEU 102 -0.190 -8.482 10.392 793 HG LEU 102 HG LEU 102 1.979 -7.281 10.604 794 HD11 LEU 102 1HD1 LEU 102 1.047 -5.023 10.122 795 HD12 LEU 102 2HD1 LEU 102 2.071 -5.090 11.556 796 HD13 LEU 102 3HD1 LEU 102 0.317 -5.034 11.728 797 HD21 LEU 102 3HD2 LEU 102 0.036 -7.669 12.806 798 HD22 LEU 102 1HD2 LEU 102 1.520 -6.791 13.182 799 HD23 LEU 102 2HD2 LEU 102 1.605 -8.427 12.528 800 H PHE 103 H PHE 103 0.499 -8.164 6.631 801 HA PHE 103 HA PHE 103 -1.837 -9.955 6.618 802 HB2 PHE 103 1HB PHE 103 -2.300 -8.281 4.972 803 HB3 PHE 103 2HB PHE 103 -0.670 -8.389 4.316 804 HD1 PHE 103 2HD PHE 103 -0.011 -10.293 2.933 805 HD2 PHE 103 1HD PHE 103 -3.992 -9.860 4.374 806 HE1 PHE 103 2HE PHE 103 -0.781 -11.957 1.294 807 HE2 PHE 103 1HE PHE 103 -4.769 -11.525 2.737 808 HZ PHE 103 HZ PHE 103 -3.163 -12.575 1.193 809 H ARG 104 H ARG 104 -1.067 -11.933 6.969 810 HA ARG 104 HA ARG 104 1.593 -12.704 6.205 811 HB2 ARG 104 1HB ARG 104 0.109 -13.498 8.229 812 HB3 ARG 104 2HB ARG 104 -0.479 -14.681 7.068 813 HG2 ARG 104 1HG ARG 104 1.541 -15.762 6.937 814 HG3 ARG 104 2HG ARG 104 2.457 -14.336 7.426 815 HD2 ARG 104 1HD ARG 104 2.559 -15.780 9.271 816 HD3 ARG 104 2HD ARG 104 1.328 -14.591 9.694 817 HE ARG 104 HE ARG 104 -0.144 -16.555 8.621 818 HH11 ARG 104 1HH1 ARG 104 2.387 -16.591 11.011 819 HH12 ARG 104 2HH1 ARG 104 1.757 -17.971 11.847 820 HH21 ARG 104 1HH2 ARG 104 -0.984 -18.373 9.713 821 HH22 ARG 104 2HH2 ARG 104 -0.160 -18.985 11.108 822 H THR 105 H THR 105 2.221 -13.648 4.377 823 HA THR 105 HA THR 105 0.418 -14.017 2.216 824 HB THR 105 HB THR 105 2.457 -15.152 1.133 825 HG1 THR 105 1HG THR 105 4.337 -15.095 2.241 826 HG21 THR 105 3HG2 THR 105 3.325 -13.092 0.506 827 HG22 THR 105 1HG2 THR 105 3.098 -12.394 2.109 828 HG23 THR 105 2HG2 THR 105 1.706 -12.663 1.060 829 H LEU 106 H LEU 106 -0.001 -15.989 1.056 830 HA LEU 106 HA LEU 106 -0.958 -18.069 2.646 831 HB2 LEU 106 1HB LEU 106 -0.517 -17.641 -0.247 832 HB3 LEU 106 2HB LEU 106 -0.710 -19.311 0.284 833 HG LEU 106 HG LEU 106 -2.704 -17.086 0.716 834 HD11 LEU 106 1HD1 LEU 106 -4.060 -18.602 -0.843 835 HD12 LEU 106 2HD1 LEU 106 -2.506 -19.304 -1.292 836 HD13 LEU 106 3HD1 LEU 106 -2.808 -17.587 -1.559 837 HD21 LEU 106 3HD2 LEU 106 -3.850 -19.633 1.051 838 HD22 LEU 106 1HD2 LEU 106 -3.592 -18.390 2.275 839 HD23 LEU 106 2HD2 LEU 106 -2.361 -19.622 1.997 840 H LYS 107 H LYS 107 -0.291 -20.449 2.165 841 HA LYS 107 HA LYS 107 2.642 -20.675 2.300 842 HB2 LYS 107 1HB LYS 107 0.660 -22.234 3.969 843 HB3 LYS 107 2HB LYS 107 2.410 -22.407 4.009 844 HG2 LYS 107 1HG LYS 107 2.083 -21.076 5.831 845 HG3 LYS 107 2HG LYS 107 2.330 -19.848 4.587 846 HD2 LYS 107 1HD LYS 107 0.439 -19.106 5.739 847 HD3 LYS 107 2HD LYS 107 -0.224 -19.905 4.310 848 HE2 LYS 107 1HE LYS 107 -0.743 -21.873 5.581 849 HE3 LYS 107 2HE LYS 107 0.095 -21.237 6.996 850 HZ1 LYS 107 3HZ LYS 107 -2.238 -20.940 7.293 851 HZ2 LYS 107 1HZ LYS 107 -2.404 -20.190 5.785 852 HZ3 LYS 107 2HZ LYS 107 -1.558 -19.413 7.027 853 H VAL 108 H VAL 108 3.186 -21.644 0.448 854 HA VAL 108 HA VAL 108 1.704 -24.075 -0.319 855 HB VAL 108 HB VAL 108 1.281 -22.242 -1.912 856 HG11 VAL 108 1HG1 VAL 108 3.152 -20.868 -1.870 857 HG12 VAL 108 2HG1 VAL 108 4.272 -22.219 -2.055 858 HG13 VAL 108 3HG1 VAL 108 3.300 -21.684 -3.426 859 HG21 VAL 108 3HG2 VAL 108 1.319 -23.629 -3.704 860 HG22 VAL 108 1HG2 VAL 108 3.015 -24.055 -3.476 861 HG23 VAL 108 2HG2 VAL 108 1.773 -24.814 -2.480 862 H SER 109 H SER 109 2.910 -25.791 -1.178 863 HA SER 109 HA SER 109 5.816 -25.598 -0.725 864 HB2 SER 109 1HB SER 109 5.800 -27.938 -0.038 865 HB3 SER 109 2HB SER 109 4.663 -27.020 0.949 866 HG SER 109 HG SER 109 3.833 -29.045 0.143 867 H GLY 110 H GLY 110 6.884 -25.639 -2.584 868 HA2 GLY 110 1HA GLY 110 7.532 -26.217 -4.709 869 HA3 GLY 110 2HA GLY 110 6.750 -27.762 -4.409 870 HA PRO 111 HA PRO 111 4.195 -24.708 -7.190 871 HB2 PRO 111 1HB PRO 111 5.524 -24.687 -9.557 872 HB3 PRO 111 2HB PRO 111 5.788 -23.476 -8.296 873 HG2 PRO 111 1HG PRO 111 7.403 -25.910 -8.952 874 HG3 PRO 111 2HG PRO 111 7.957 -24.274 -8.552 875 HD2 PRO 111 1HD PRO 111 7.949 -26.292 -6.747 876 HD3 PRO 111 2HD PRO 111 7.680 -24.598 -6.287 877 H SER 112 H SER 112 2.883 -26.612 -6.962 878 HA SER 112 HA SER 112 3.251 -28.650 -9.043 879 HB2 SER 112 1HB SER 112 1.742 -30.047 -7.735 880 HB3 SER 112 2HB SER 112 3.035 -29.441 -6.700 881 HG SER 112 HG SER 112 0.696 -27.932 -6.865 882 H SER 113 H SER 113 1.202 -29.510 -10.020 883 HA SER 113 HA SER 113 -0.293 -27.301 -11.111 884 HB2 SER 113 1HB SER 113 0.470 -29.223 -12.504 885 HB3 SER 113 2HB SER 113 -0.641 -30.266 -11.618 886 HG SER 113 HG SER 113 -1.431 -29.364 -13.662 887 H GLY 114 H GLY 114 -0.995 -30.139 -9.103 888 HA2 GLY 114 1HA GLY 114 -2.592 -29.696 -7.250 889 HA3 GLY 114 2HA GLY 114 -3.599 -28.900 -8.451 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -7.534 28.752 -10.312 2 HA2 GLY 1 1HA GLY 1 -8.683 26.953 -12.077 3 HA3 GLY 1 2HA GLY 1 -7.203 27.506 -12.847 4 H SER 2 H SER 2 -5.367 27.648 -10.959 5 HA SER 2 HA SER 2 -5.136 24.873 -10.063 6 HB2 SER 2 1HB SER 2 -2.730 25.416 -9.758 7 HB3 SER 2 2HB SER 2 -3.286 25.714 -11.405 8 HG SER 2 HG SER 2 -3.389 27.912 -10.929 9 H SER 3 H SER 3 -6.408 24.908 -8.208 10 HA SER 3 HA SER 3 -5.384 26.578 -6.006 11 HB2 SER 3 1HB SER 3 -8.171 25.555 -6.557 12 HB3 SER 3 2HB SER 3 -7.687 26.198 -4.988 13 HG SER 3 HG SER 3 -6.976 28.101 -6.289 14 H GLY 4 H GLY 4 -4.015 25.332 -4.879 15 HA2 GLY 4 1HA GLY 4 -3.580 23.738 -3.219 16 HA3 GLY 4 2HA GLY 4 -5.075 22.919 -3.645 17 H SER 5 H SER 5 -1.684 23.275 -4.367 18 HA SER 5 HA SER 5 -1.832 20.811 -5.975 19 HB2 SER 5 1HB SER 5 -1.238 23.125 -7.131 20 HB3 SER 5 2HB SER 5 0.361 22.778 -6.474 21 HG SER 5 HG SER 5 -0.671 21.826 -8.675 22 H SER 6 H SER 6 0.092 22.811 -3.795 23 HA SER 6 HA SER 6 2.399 21.551 -3.410 24 HB2 SER 6 1HB SER 6 0.452 22.653 -1.427 25 HB3 SER 6 2HB SER 6 1.872 21.798 -0.825 26 HG SER 6 HG SER 6 1.814 24.078 -2.511 27 H GLY 7 H GLY 7 3.237 19.727 -2.400 28 HA2 GLY 7 1HA GLY 7 2.235 17.290 -2.780 29 HA3 GLY 7 2HA GLY 7 3.196 17.645 -1.352 30 HA PRO 8 HA PRO 8 -1.428 16.641 -0.447 31 HB2 PRO 8 1HB PRO 8 -1.346 13.937 -0.217 32 HB3 PRO 8 2HB PRO 8 -1.742 14.761 -1.730 33 HG2 PRO 8 1HG PRO 8 0.857 13.566 -0.848 34 HG3 PRO 8 2HG PRO 8 0.063 13.473 -2.431 35 HD2 PRO 8 1HD PRO 8 2.104 15.178 -1.923 36 HD3 PRO 8 2HD PRO 8 0.799 15.563 -3.064 37 H THR 9 H THR 9 -2.051 16.512 1.653 38 HA THR 9 HA THR 9 0.017 15.759 3.610 39 HB THR 9 HB THR 9 -1.029 17.248 5.193 40 HG1 THR 9 1HG THR 9 -2.868 18.216 3.312 41 HG21 THR 9 3HG2 THR 9 -0.783 18.611 2.509 42 HG22 THR 9 1HG2 THR 9 0.551 18.253 3.604 43 HG23 THR 9 2HG2 THR 9 -0.700 19.399 4.084 44 H SER 10 H SER 10 -1.934 13.970 2.265 45 HA SER 10 HA SER 10 -2.910 12.670 4.670 46 HB2 SER 10 1HB SER 10 -5.193 12.343 3.584 47 HB3 SER 10 2HB SER 10 -4.854 13.959 4.204 48 HG SER 10 HG SER 10 -4.059 14.259 1.879 49 H ALA 11 H ALA 11 -2.678 10.527 4.531 50 HA ALA 11 HA ALA 11 -1.657 9.385 2.087 51 HB1 ALA 11 3HB ALA 11 -1.689 8.680 4.901 52 HB2 ALA 11 1HB ALA 11 -2.027 7.298 3.859 53 HB3 ALA 11 2HB ALA 11 -0.546 8.230 3.635 54 HA PRO 12 HA PRO 12 -5.247 7.421 0.504 55 HB2 PRO 12 1HB PRO 12 -4.385 4.923 -0.119 56 HB3 PRO 12 2HB PRO 12 -3.906 6.360 -1.030 57 HG2 PRO 12 1HG PRO 12 -2.411 4.883 1.101 58 HG3 PRO 12 2HG PRO 12 -1.813 5.542 -0.432 59 HD2 PRO 12 1HD PRO 12 -1.456 6.807 1.935 60 HD3 PRO 12 2HD PRO 12 -1.656 7.684 0.405 61 H LYS 13 H LYS 13 -6.862 5.765 0.828 62 HA LYS 13 HA LYS 13 -6.662 4.405 3.434 63 HB2 LYS 13 1HB LYS 13 -9.173 4.793 3.596 64 HB3 LYS 13 2HB LYS 13 -8.144 6.199 3.837 65 HG2 LYS 13 1HG LYS 13 -8.531 6.629 1.323 66 HG3 LYS 13 2HG LYS 13 -9.890 5.518 1.508 67 HD2 LYS 13 1HD LYS 13 -10.919 7.527 1.932 68 HD3 LYS 13 2HD LYS 13 -10.451 7.050 3.566 69 HE2 LYS 13 1HE LYS 13 -8.541 8.659 1.945 70 HE3 LYS 13 2HE LYS 13 -9.946 9.468 2.636 71 HZ1 LYS 13 3HZ LYS 13 -7.606 8.367 3.958 72 HZ2 LYS 13 1HZ LYS 13 -9.080 8.113 4.748 73 HZ3 LYS 13 2HZ LYS 13 -8.573 9.686 4.388 74 H ASP 14 H ASP 14 -8.850 2.905 3.495 75 HA ASP 14 HA ASP 14 -9.674 0.895 2.811 76 HB2 ASP 14 1HB ASP 14 -10.662 2.560 1.110 77 HB3 ASP 14 2HB ASP 14 -9.472 1.913 -0.015 78 H LEU 15 H LEU 15 -6.781 1.203 2.991 79 HA LEU 15 HA LEU 15 -5.567 -0.214 0.829 80 HB2 LEU 15 1HB LEU 15 -4.385 1.372 2.348 81 HB3 LEU 15 2HB LEU 15 -4.526 0.171 3.631 82 HG LEU 15 HG LEU 15 -3.149 -1.378 2.277 83 HD11 LEU 15 1HD1 LEU 15 -3.292 0.893 0.365 84 HD12 LEU 15 2HD1 LEU 15 -3.324 -0.844 0.065 85 HD13 LEU 15 3HD1 LEU 15 -1.800 -0.044 0.450 86 HD21 LEU 15 3HD2 LEU 15 -1.668 -0.489 3.698 87 HD22 LEU 15 1HD2 LEU 15 -2.267 1.150 3.444 88 HD23 LEU 15 2HD2 LEU 15 -1.113 0.448 2.311 89 H THR 16 H THR 16 -6.192 -2.243 0.430 90 HA THR 16 HA THR 16 -6.106 -4.162 2.661 91 HB THR 16 HB THR 16 -8.096 -4.270 0.387 92 HG1 THR 16 1HG THR 16 -9.611 -3.720 2.046 93 HG21 THR 16 3HG2 THR 16 -9.136 -6.049 1.726 94 HG22 THR 16 1HG2 THR 16 -7.830 -5.920 2.904 95 HG23 THR 16 2HG2 THR 16 -7.486 -6.466 1.262 96 H VAL 17 H VAL 17 -5.105 -6.079 2.260 97 HA VAL 17 HA VAL 17 -4.057 -6.488 -0.466 98 HB VAL 17 HB VAL 17 -2.696 -7.180 2.141 99 HG11 VAL 17 1HG1 VAL 17 -0.827 -7.907 0.805 100 HG12 VAL 17 2HG1 VAL 17 -2.272 -8.788 0.303 101 HG13 VAL 17 3HG1 VAL 17 -1.665 -7.454 -0.679 102 HG21 VAL 17 3HG2 VAL 17 -2.142 -5.003 2.069 103 HG22 VAL 17 1HG2 VAL 17 -1.021 -5.507 0.804 104 HG23 VAL 17 2HG2 VAL 17 -2.595 -4.840 0.373 105 H ILE 18 H ILE 18 -4.723 -8.292 -1.410 106 HA ILE 18 HA ILE 18 -5.447 -10.590 0.285 107 HB ILE 18 HB ILE 18 -7.222 -11.164 -1.325 108 HG12 ILE 18 1HG1 ILE 18 -7.059 -8.410 -2.483 109 HG13 ILE 18 2HG1 ILE 18 -6.020 -9.672 -3.136 110 HG21 ILE 18 1HG2 ILE 18 -8.570 -10.112 0.086 111 HG22 ILE 18 2HG2 ILE 18 -7.232 -9.079 0.588 112 HG23 ILE 18 3HG2 ILE 18 -8.273 -8.587 -0.747 113 HD11 ILE 18 3HD1 ILE 18 -9.011 -9.885 -2.926 114 HD12 ILE 18 1HD1 ILE 18 -8.143 -9.363 -4.370 115 HD13 ILE 18 2HD1 ILE 18 -7.914 -10.997 -3.745 116 H THR 19 H THR 19 -5.027 -12.645 -0.555 117 HA THR 19 HA THR 19 -2.793 -12.771 -2.351 118 HB THR 19 HB THR 19 -2.774 -14.328 -0.548 119 HG1 THR 19 1HG THR 19 -2.212 -15.082 -2.784 120 HG21 THR 19 3HG2 THR 19 -5.520 -15.095 -1.511 121 HG22 THR 19 1HG2 THR 19 -5.046 -14.507 0.081 122 HG23 THR 19 2HG2 THR 19 -4.573 -16.125 -0.438 123 H ARG 20 H ARG 20 -2.849 -12.997 -4.485 124 HA ARG 20 HA ARG 20 -5.190 -13.010 -5.993 125 HB2 ARG 20 1HB ARG 20 -2.928 -12.316 -6.799 126 HB3 ARG 20 2HB ARG 20 -2.484 -14.015 -6.887 127 HG2 ARG 20 1HG ARG 20 -3.762 -14.399 -8.734 128 HG3 ARG 20 2HG ARG 20 -4.924 -13.135 -8.329 129 HD2 ARG 20 1HD ARG 20 -3.334 -11.425 -8.972 130 HD3 ARG 20 2HD ARG 20 -2.104 -12.650 -9.281 131 HE ARG 20 HE ARG 20 -4.328 -11.940 -10.984 132 HH11 ARG 20 1HH1 ARG 20 -1.894 -14.309 -10.220 133 HH12 ARG 20 2HH1 ARG 20 -1.924 -15.038 -11.791 134 HH21 ARG 20 1HH2 ARG 20 -4.377 -12.892 -13.057 135 HH22 ARG 20 2HH2 ARG 20 -3.336 -14.231 -13.404 136 H GLU 21 H GLU 21 -6.679 -14.562 -5.992 137 HA GLU 21 HA GLU 21 -6.487 -17.150 -5.161 138 HB2 GLU 21 1HB GLU 21 -8.666 -16.620 -5.565 139 HB3 GLU 21 2HB GLU 21 -8.288 -15.716 -7.024 140 HG2 GLU 21 1HG GLU 21 -9.567 -17.621 -7.644 141 HG3 GLU 21 2HG GLU 21 -7.911 -17.875 -8.193 142 H GLY 22 H GLY 22 -5.615 -15.859 -8.313 143 HA2 GLY 22 1HA GLY 22 -5.212 -18.407 -9.549 144 HA3 GLY 22 2HA GLY 22 -4.669 -16.854 -10.166 145 H LYS 23 H LYS 23 -3.224 -16.276 -7.637 146 HA LYS 23 HA LYS 23 -1.147 -18.306 -7.560 147 HB2 LYS 23 1HB LYS 23 -0.550 -15.462 -8.397 148 HB3 LYS 23 2HB LYS 23 0.651 -16.706 -8.073 149 HG2 LYS 23 1HG LYS 23 -0.678 -18.015 -9.922 150 HG3 LYS 23 2HG LYS 23 -1.179 -16.390 -10.395 151 HD2 LYS 23 1HD LYS 23 1.050 -15.712 -10.786 152 HD3 LYS 23 2HD LYS 23 1.705 -17.128 -9.961 153 HE2 LYS 23 1HE LYS 23 1.919 -17.354 -12.376 154 HE3 LYS 23 2HE LYS 23 0.815 -18.566 -11.729 155 HZ1 LYS 23 3HZ LYS 23 0.324 -16.600 -13.691 156 HZ2 LYS 23 1HZ LYS 23 -0.720 -16.352 -12.383 157 HZ3 LYS 23 2HZ LYS 23 -0.688 -17.851 -13.167 158 HA PRO 24 HA PRO 24 -1.325 -16.961 -3.339 159 HB2 PRO 24 1HB PRO 24 0.707 -18.511 -2.425 160 HB3 PRO 24 2HB PRO 24 -0.899 -19.151 -2.792 161 HG2 PRO 24 1HG PRO 24 1.591 -19.217 -4.453 162 HG3 PRO 24 2HG PRO 24 0.400 -20.500 -4.171 163 HD2 PRO 24 1HD PRO 24 0.426 -19.006 -6.429 164 HD3 PRO 24 2HD PRO 24 -1.073 -19.646 -5.725 165 H ARG 25 H ARG 25 1.917 -17.366 -4.782 166 HA ARG 25 HA ARG 25 3.274 -15.612 -3.094 167 HB2 ARG 25 1HB ARG 25 3.784 -16.527 -5.914 168 HB3 ARG 25 2HB ARG 25 4.862 -15.390 -5.114 169 HG2 ARG 25 1HG ARG 25 5.383 -16.989 -3.408 170 HG3 ARG 25 2HG ARG 25 4.167 -18.108 -4.026 171 HD2 ARG 25 1HD ARG 25 6.082 -18.986 -4.944 172 HD3 ARG 25 2HD ARG 25 5.546 -17.917 -6.239 173 HE ARG 25 HE ARG 25 7.405 -16.626 -5.896 174 HH11 ARG 25 1HH1 ARG 25 6.966 -18.746 -3.170 175 HH12 ARG 25 2HH1 ARG 25 8.487 -18.343 -2.445 176 HH21 ARG 25 1HH2 ARG 25 9.410 -16.087 -4.951 177 HH22 ARG 25 2HH2 ARG 25 9.876 -16.829 -3.458 178 H ALA 26 H ALA 26 0.960 -14.943 -5.482 179 HA ALA 26 HA ALA 26 1.856 -12.159 -5.756 180 HB1 ALA 26 3HB ALA 26 -0.350 -12.495 -7.401 181 HB2 ALA 26 1HB ALA 26 1.344 -12.506 -7.893 182 HB3 ALA 26 2HB ALA 26 0.523 -14.023 -7.524 183 H VAL 27 H VAL 27 0.484 -10.435 -5.283 184 HA VAL 27 HA VAL 27 -2.067 -11.043 -3.980 185 HB VAL 27 HB VAL 27 -1.572 -9.543 -2.104 186 HG11 VAL 27 1HG1 VAL 27 0.087 -11.975 -2.578 187 HG12 VAL 27 2HG1 VAL 27 0.342 -11.029 -1.110 188 HG13 VAL 27 3HG1 VAL 27 -1.245 -11.722 -1.450 189 HG21 VAL 27 3HG2 VAL 27 0.359 -8.466 -3.610 190 HG22 VAL 27 1HG2 VAL 27 0.343 -8.355 -1.849 191 HG23 VAL 27 2HG2 VAL 27 1.337 -9.574 -2.647 192 H ILE 28 H ILE 28 -3.468 -9.185 -3.762 193 HA ILE 28 HA ILE 28 -2.837 -7.075 -5.721 194 HB ILE 28 HB ILE 28 -5.628 -7.865 -4.928 195 HG12 ILE 28 1HG1 ILE 28 -4.365 -9.834 -5.852 196 HG13 ILE 28 2HG1 ILE 28 -5.758 -9.347 -6.812 197 HG21 ILE 28 1HG2 ILE 28 -4.382 -6.024 -6.840 198 HG22 ILE 28 2HG2 ILE 28 -5.702 -6.989 -7.498 199 HG23 ILE 28 3HG2 ILE 28 -5.974 -5.972 -6.084 200 HD11 ILE 28 3HD1 ILE 28 -4.487 -9.083 -8.597 201 HD12 ILE 28 1HD1 ILE 28 -3.419 -7.979 -7.732 202 HD13 ILE 28 2HD1 ILE 28 -3.126 -9.717 -7.672 203 H VAL 29 H VAL 29 -2.083 -5.444 -4.471 204 HA VAL 29 HA VAL 29 -3.414 -4.742 -1.988 205 HB VAL 29 HB VAL 29 -1.108 -3.350 -3.358 206 HG11 VAL 29 1HG1 VAL 29 -0.748 -2.717 -0.835 207 HG12 VAL 29 2HG1 VAL 29 -1.862 -1.796 -1.847 208 HG13 VAL 29 3HG1 VAL 29 -2.483 -3.016 -0.735 209 HG21 VAL 29 3HG2 VAL 29 0.266 -4.549 -1.629 210 HG22 VAL 29 1HG2 VAL 29 -1.153 -5.540 -1.290 211 HG23 VAL 29 2HG2 VAL 29 -0.412 -5.579 -2.890 212 H SER 30 H SER 30 -5.262 -3.647 -2.148 213 HA SER 30 HA SER 30 -5.563 -1.638 -4.263 214 HB2 SER 30 1HB SER 30 -7.983 -1.693 -3.627 215 HB3 SER 30 2HB SER 30 -7.364 -3.249 -4.177 216 HG SER 30 HG SER 30 -8.276 -2.483 -1.686 217 H TRP 31 H TRP 31 -6.895 0.326 -3.591 218 HA TRP 31 HA TRP 31 -6.874 1.230 -0.919 219 HB2 TRP 31 1HB TRP 31 -5.098 2.901 -1.024 220 HB3 TRP 31 2HB TRP 31 -4.436 1.290 -1.284 221 HD1 TRP 31 HD TRP 31 -5.168 4.560 -3.151 222 HE1 TRP 31 1HE TRP 31 -3.792 4.584 -5.326 223 HE3 TRP 31 3HE TRP 31 -3.316 -0.202 -2.993 224 HZ2 TRP 31 2HZ TRP 31 -2.141 2.818 -6.783 225 HZ3 TRP 31 3HZ TRP 31 -1.846 -0.957 -4.816 226 HH2 TRP 31 HH TRP 31 -1.273 0.523 -6.671 227 H GLN 32 H GLN 32 -7.107 3.762 -0.911 228 HA GLN 32 HA GLN 32 -8.637 4.582 -3.285 229 HB2 GLN 32 1HB GLN 32 -9.490 4.487 -0.439 230 HB3 GLN 32 2HB GLN 32 -10.017 5.868 -1.392 231 HG2 GLN 32 1HG GLN 32 -11.455 3.673 -1.221 232 HG3 GLN 32 2HG GLN 32 -11.386 4.622 -2.705 233 HE21 GLN 32 1HE2 GLN 32 -10.758 3.650 -4.514 234 HE22 GLN 32 2HE2 GLN 32 -10.069 2.069 -4.614 235 HA PRO 33 HA PRO 33 -6.457 8.385 -3.160 236 HB2 PRO 33 1HB PRO 33 -8.362 10.167 -3.910 237 HB3 PRO 33 2HB PRO 33 -7.635 9.009 -5.031 238 HG2 PRO 33 1HG PRO 33 -10.255 8.861 -3.590 239 HG3 PRO 33 2HG PRO 33 -9.880 8.454 -5.274 240 HD2 PRO 33 1HD PRO 33 -10.129 6.574 -3.342 241 HD3 PRO 33 2HD PRO 33 -9.020 6.390 -4.716 242 HA PRO 34 HA PRO 34 -7.143 10.110 0.865 243 HB2 PRO 34 1HB PRO 34 -5.330 12.123 0.699 244 HB3 PRO 34 2HB PRO 34 -4.870 10.433 0.937 245 HG2 PRO 34 1HG PRO 34 -4.888 12.055 -1.579 246 HG3 PRO 34 2HG PRO 34 -3.665 10.913 -0.993 247 HD2 PRO 34 1HD PRO 34 -5.488 10.251 -2.882 248 HD3 PRO 34 2HD PRO 34 -4.852 9.074 -1.714 249 H LEU 35 H LEU 35 -7.783 12.153 1.862 250 HA LEU 35 HA LEU 35 -9.659 13.579 0.197 251 HB2 LEU 35 1HB LEU 35 -9.063 13.395 3.095 252 HB3 LEU 35 2HB LEU 35 -9.842 14.869 2.523 253 HG LEU 35 HG LEU 35 -11.485 13.296 3.369 254 HD11 LEU 35 1HD1 LEU 35 -12.970 13.849 1.792 255 HD12 LEU 35 2HD1 LEU 35 -12.078 13.013 0.522 256 HD13 LEU 35 3HD1 LEU 35 -11.611 14.645 0.998 257 HD21 LEU 35 3HD2 LEU 35 -11.115 11.118 3.133 258 HD22 LEU 35 1HD2 LEU 35 -9.880 11.402 1.907 259 HD23 LEU 35 2HD2 LEU 35 -11.576 11.284 1.438 260 H GLU 36 H GLU 36 -6.876 14.493 2.229 261 HA GLU 36 HA GLU 36 -6.841 17.163 1.129 262 HB2 GLU 36 1HB GLU 36 -4.712 15.905 2.852 263 HB3 GLU 36 2HB GLU 36 -5.079 17.614 2.659 264 HG2 GLU 36 1HG GLU 36 -7.237 17.259 3.776 265 HG3 GLU 36 2HG GLU 36 -6.817 15.564 4.013 266 H ALA 37 H ALA 37 -6.555 15.195 -0.851 267 HA ALA 37 HA ALA 37 -3.971 14.534 -1.607 268 HB1 ALA 37 3HB ALA 37 -4.841 14.344 -3.884 269 HB2 ALA 37 1HB ALA 37 -5.951 13.638 -2.709 270 HB3 ALA 37 2HB ALA 37 -6.293 15.222 -3.404 271 H ASN 38 H ASN 38 -5.566 17.600 -1.668 272 HA ASN 38 HA ASN 38 -4.960 19.669 -2.409 273 HB2 ASN 38 1HB ASN 38 -2.257 18.479 -1.767 274 HB3 ASN 38 2HB ASN 38 -2.502 20.181 -2.151 275 HD21 ASN 38 1HD2 ASN 38 -1.612 18.730 0.309 276 HD22 ASN 38 2HD2 ASN 38 -2.629 19.338 1.565 277 H GLY 39 H GLY 39 -5.416 17.777 -4.471 278 HA2 GLY 39 1HA GLY 39 -5.091 18.792 -6.795 279 HA3 GLY 39 2HA GLY 39 -3.385 18.517 -6.476 280 H LYS 40 H LYS 40 -5.751 17.366 -8.256 281 HA LYS 40 HA LYS 40 -6.205 14.731 -7.873 282 HB2 LYS 40 1HB LYS 40 -7.089 15.816 -9.814 283 HB3 LYS 40 2HB LYS 40 -5.478 16.140 -10.442 284 HG2 LYS 40 1HG LYS 40 -5.313 13.500 -10.358 285 HG3 LYS 40 2HG LYS 40 -7.068 13.638 -10.486 286 HD2 LYS 40 1HD LYS 40 -6.778 15.059 -12.485 287 HD3 LYS 40 2HD LYS 40 -5.032 14.823 -12.373 288 HE2 LYS 40 1HE LYS 40 -5.300 12.441 -12.705 289 HE3 LYS 40 2HE LYS 40 -7.055 12.610 -12.702 290 HZ1 LYS 40 3HZ LYS 40 -6.995 13.773 -14.736 291 HZ2 LYS 40 1HZ LYS 40 -5.978 12.436 -14.944 292 HZ3 LYS 40 2HZ LYS 40 -5.316 13.969 -14.678 293 H ILE 41 H ILE 41 -4.836 13.247 -7.122 294 HA ILE 41 HA ILE 41 -2.104 13.202 -7.215 295 HB ILE 41 HB ILE 41 -3.849 10.742 -7.370 296 HG12 ILE 41 1HG1 ILE 41 -4.605 12.185 -5.563 297 HG13 ILE 41 2HG1 ILE 41 -3.762 10.792 -4.893 298 HG21 ILE 41 1HG2 ILE 41 -1.353 10.754 -5.806 299 HG22 ILE 41 2HG2 ILE 41 -2.051 9.496 -6.825 300 HG23 ILE 41 3HG2 ILE 41 -1.163 10.833 -7.557 301 HD11 ILE 41 3HD1 ILE 41 -2.654 12.280 -3.670 302 HD12 ILE 41 1HD1 ILE 41 -1.756 12.634 -5.146 303 HD13 ILE 41 2HD1 ILE 41 -3.145 13.626 -4.699 304 H THR 42 H THR 42 -0.530 12.482 -8.583 305 HA THR 42 HA THR 42 -1.398 11.836 -11.320 306 HB THR 42 HB THR 42 0.855 12.610 -12.032 307 HG1 THR 42 1HG THR 42 1.544 12.331 -9.608 308 HG21 THR 42 3HG2 THR 42 0.405 14.962 -11.830 309 HG22 THR 42 1HG2 THR 42 -0.611 14.694 -10.414 310 HG23 THR 42 2HG2 THR 42 -1.135 14.119 -11.997 311 H ALA 43 H ALA 43 0.502 10.766 -8.618 312 HA ALA 43 HA ALA 43 0.872 8.185 -9.904 313 HB1 ALA 43 3HB ALA 43 3.198 8.073 -9.726 314 HB2 ALA 43 1HB ALA 43 2.894 9.681 -10.384 315 HB3 ALA 43 2HB ALA 43 3.278 9.486 -8.674 316 H TYR 44 H TYR 44 1.317 6.482 -8.432 317 HA TYR 44 HA TYR 44 0.942 7.190 -5.597 318 HB2 TYR 44 1HB TYR 44 -0.382 5.006 -7.199 319 HB3 TYR 44 2HB TYR 44 -0.308 4.964 -5.441 320 HD1 TYR 44 2HD TYR 44 -1.081 7.295 -4.323 321 HD2 TYR 44 1HD TYR 44 -2.308 5.851 -8.133 322 HE1 TYR 44 2HE TYR 44 -3.095 8.701 -4.201 323 HE2 TYR 44 1HE TYR 44 -4.325 7.255 -8.022 324 HH TYR 44 HH TYR 44 -5.719 8.302 -5.829 325 H ILE 45 H ILE 45 2.635 6.606 -4.428 326 HA ILE 45 HA ILE 45 4.346 4.421 -5.379 327 HB ILE 45 HB ILE 45 4.983 6.382 -3.180 328 HG12 ILE 45 1HG1 ILE 45 6.451 7.394 -5.083 329 HG13 ILE 45 2HG1 ILE 45 5.306 6.600 -6.158 330 HG21 ILE 45 1HG2 ILE 45 6.793 4.700 -4.907 331 HG22 ILE 45 2HG2 ILE 45 7.265 5.709 -3.541 332 HG23 ILE 45 3HG2 ILE 45 6.279 4.272 -3.275 333 HD11 ILE 45 3HD1 ILE 45 3.894 8.278 -5.920 334 HD12 ILE 45 1HD1 ILE 45 3.857 8.035 -4.174 335 HD13 ILE 45 2HD1 ILE 45 5.067 9.099 -4.892 336 H LEU 46 H LEU 46 4.419 2.529 -4.355 337 HA LEU 46 HA LEU 46 3.100 2.323 -1.732 338 HB2 LEU 46 1HB LEU 46 1.911 0.976 -3.220 339 HB3 LEU 46 2HB LEU 46 3.375 0.415 -4.024 340 HG LEU 46 HG LEU 46 3.923 -0.906 -1.995 341 HD11 LEU 46 1HD1 LEU 46 1.190 -0.779 -0.959 342 HD12 LEU 46 2HD1 LEU 46 2.124 0.698 -0.725 343 HD13 LEU 46 3HD1 LEU 46 2.732 -0.836 -0.103 344 HD21 LEU 46 3HD2 LEU 46 1.592 -2.297 -2.327 345 HD22 LEU 46 1HD2 LEU 46 3.009 -2.415 -3.371 346 HD23 LEU 46 2HD2 LEU 46 1.676 -1.347 -3.811 347 H PHE 47 H PHE 47 4.039 1.035 -0.107 348 HA PHE 47 HA PHE 47 6.826 0.224 -0.545 349 HB2 PHE 47 1HB PHE 47 5.870 1.783 1.865 350 HB3 PHE 47 2HB PHE 47 7.511 1.218 1.571 351 HD1 PHE 47 1HD PHE 47 4.876 3.353 0.031 352 HD2 PHE 47 2HD PHE 47 9.034 2.652 0.607 353 HE1 PHE 47 1HE PHE 47 5.388 5.463 -1.126 354 HE2 PHE 47 2HE PHE 47 9.553 4.761 -0.548 355 HZ PHE 47 HZ PHE 47 7.729 6.170 -1.415 356 H TYR 48 H TYR 48 7.130 -1.810 0.052 357 HA TYR 48 HA TYR 48 5.595 -2.884 2.312 358 HB2 TYR 48 1HB TYR 48 5.182 -4.969 1.093 359 HB3 TYR 48 2HB TYR 48 4.457 -3.600 0.257 360 HD1 TYR 48 2HD TYR 48 5.410 -2.789 -1.854 361 HD2 TYR 48 1HD TYR 48 6.997 -6.211 0.112 362 HE1 TYR 48 2HE TYR 48 6.592 -3.418 -3.917 363 HE2 TYR 48 1HE TYR 48 8.185 -6.850 -1.944 364 HH TYR 48 HH TYR 48 8.716 -4.817 -4.466 365 H THR 49 H THR 49 6.624 -4.489 3.501 366 HA THR 49 HA THR 49 9.101 -5.660 2.715 367 HB THR 49 HB THR 49 9.872 -3.356 3.263 368 HG1 THR 49 1HG THR 49 11.219 -4.452 5.222 369 HG21 THR 49 3HG2 THR 49 8.374 -2.673 4.974 370 HG22 THR 49 1HG2 THR 49 9.961 -2.802 5.731 371 HG23 THR 49 2HG2 THR 49 8.763 -4.074 5.971 372 H LEU 50 H LEU 50 9.815 -7.257 4.160 373 HA LEU 50 HA LEU 50 7.760 -8.260 5.911 374 HB2 LEU 50 1HB LEU 50 9.090 -10.218 6.101 375 HB3 LEU 50 2HB LEU 50 9.148 -9.696 4.418 376 HG LEU 50 HG LEU 50 11.348 -8.876 6.258 377 HD11 LEU 50 1HD1 LEU 50 12.535 -10.991 5.594 378 HD12 LEU 50 2HD1 LEU 50 10.967 -11.623 5.093 379 HD13 LEU 50 3HD1 LEU 50 11.243 -11.185 6.778 380 HD21 LEU 50 3HD2 LEU 50 12.394 -9.649 3.854 381 HD22 LEU 50 1HD2 LEU 50 11.933 -8.002 4.283 382 HD23 LEU 50 2HD2 LEU 50 10.811 -9.027 3.389 383 H ASP 51 H ASP 51 10.638 -6.407 6.232 384 HA ASP 51 HA ASP 51 10.515 -6.710 9.161 385 HB2 ASP 51 1HB ASP 51 12.825 -6.403 7.291 386 HB3 ASP 51 2HB ASP 51 12.954 -5.716 8.908 387 H LYS 52 H LYS 52 9.964 -4.968 10.292 388 HA LYS 52 HA LYS 52 9.672 -2.424 8.896 389 HB2 LYS 52 1HB LYS 52 8.329 -1.735 10.795 390 HB3 LYS 52 2HB LYS 52 7.785 -3.308 10.227 391 HG2 LYS 52 1HG LYS 52 9.060 -4.377 12.041 392 HG3 LYS 52 2HG LYS 52 9.525 -2.779 12.628 393 HD2 LYS 52 1HD LYS 52 7.260 -2.223 13.133 394 HD3 LYS 52 2HD LYS 52 6.662 -3.664 12.308 395 HE2 LYS 52 1HE LYS 52 7.683 -5.086 13.975 396 HE3 LYS 52 2HE LYS 52 8.417 -3.689 14.761 397 HZ1 LYS 52 3HZ LYS 52 6.473 -3.088 15.717 398 HZ2 LYS 52 1HZ LYS 52 6.146 -4.742 15.575 399 HZ3 LYS 52 2HZ LYS 52 5.519 -3.656 14.440 400 H ASN 53 H ASN 53 11.630 -3.939 11.323 401 HA ASN 53 HA ASN 53 12.616 -1.914 12.838 402 HB2 ASN 53 1HB ASN 53 13.833 -4.384 11.708 403 HB3 ASN 53 2HB ASN 53 14.922 -3.205 12.434 404 HD21 ASN 53 1HD2 ASN 53 11.791 -4.730 13.126 405 HD22 ASN 53 2HD2 ASN 53 12.113 -5.023 14.798 406 H ILE 54 H ILE 54 13.120 -2.405 9.437 407 HA ILE 54 HA ILE 54 15.281 -0.492 9.257 408 HB ILE 54 HB ILE 54 14.889 -0.781 6.754 409 HG12 ILE 54 1HG1 ILE 54 13.199 -3.107 7.687 410 HG13 ILE 54 2HG1 ILE 54 12.528 -1.607 7.057 411 HG21 ILE 54 1HG2 ILE 54 15.506 -3.295 8.295 412 HG22 ILE 54 2HG2 ILE 54 16.089 -2.852 6.692 413 HG23 ILE 54 3HG2 ILE 54 16.628 -1.947 8.107 414 HD11 ILE 54 3HD1 ILE 54 12.511 -2.871 5.172 415 HD12 ILE 54 1HD1 ILE 54 14.118 -2.157 5.030 416 HD13 ILE 54 2HD1 ILE 54 13.933 -3.800 5.646 417 HA PRO 55 HA PRO 55 12.940 3.164 8.605 418 HB2 PRO 55 1HB PRO 55 14.492 4.480 6.808 419 HB3 PRO 55 2HB PRO 55 14.941 4.289 8.507 420 HG2 PRO 55 1HG PRO 55 15.851 2.728 6.120 421 HG3 PRO 55 2HG PRO 55 16.802 3.339 7.486 422 HD2 PRO 55 1HD PRO 55 15.995 0.760 7.309 423 HD3 PRO 55 2HD PRO 55 16.174 1.600 8.863 424 H ILE 56 H ILE 56 11.288 3.863 7.356 425 HA ILE 56 HA ILE 56 10.132 2.428 5.378 426 HB ILE 56 HB ILE 56 9.105 4.408 6.461 427 HG12 ILE 56 1HG1 ILE 56 7.926 5.236 4.389 428 HG13 ILE 56 2HG1 ILE 56 9.071 4.295 3.440 429 HG21 ILE 56 1HG2 ILE 56 10.242 6.236 4.436 430 HG22 ILE 56 2HG2 ILE 56 9.752 6.547 6.100 431 HG23 ILE 56 3HG2 ILE 56 11.299 5.770 5.768 432 HD11 ILE 56 3HD1 ILE 56 6.717 3.442 4.933 433 HD12 ILE 56 1HD1 ILE 56 7.533 2.688 3.564 434 HD13 ILE 56 2HD1 ILE 56 8.141 2.438 5.201 435 H ASP 57 H ASP 57 12.915 4.455 5.064 436 HA ASP 57 HA ASP 57 12.824 4.791 2.238 437 HB2 ASP 57 1HB ASP 57 15.179 4.937 4.134 438 HB3 ASP 57 2HB ASP 57 15.175 5.501 2.465 439 H ASP 58 H ASP 58 14.529 2.532 4.379 440 HA ASP 58 HA ASP 58 15.901 1.142 2.346 441 HB2 ASP 58 1HB ASP 58 15.251 0.641 5.206 442 HB3 ASP 58 2HB ASP 58 15.737 -0.745 4.234 443 H TRP 59 H TRP 59 12.638 0.993 3.481 444 HA TRP 59 HA TRP 59 11.871 -1.573 2.790 445 HB2 TRP 59 1HB TRP 59 10.311 1.008 2.562 446 HB3 TRP 59 2HB TRP 59 9.597 -0.597 2.424 447 HD1 TRP 59 HD TRP 59 12.280 -0.002 5.061 448 HE1 TRP 59 1HE TRP 59 11.197 -0.127 7.393 449 HE3 TRP 59 3HE TRP 59 7.366 -0.195 3.665 450 HZ2 TRP 59 2HZ TRP 59 8.603 -0.287 8.494 451 HZ3 TRP 59 3HZ TRP 59 5.646 -0.333 5.419 452 HH2 TRP 59 HH TRP 59 6.254 -0.378 7.783 453 H ILE 60 H ILE 60 10.226 -1.956 0.890 454 HA ILE 60 HA ILE 60 11.716 -1.386 -1.559 455 HB ILE 60 HB ILE 60 9.514 -3.366 -0.979 456 HG12 ILE 60 1HG1 ILE 60 12.312 -3.988 -1.878 457 HG13 ILE 60 2HG1 ILE 60 11.968 -3.689 -0.178 458 HG21 ILE 60 1HG2 ILE 60 10.684 -4.006 -3.422 459 HG22 ILE 60 2HG2 ILE 60 9.066 -3.357 -3.156 460 HG23 ILE 60 3HG2 ILE 60 10.410 -2.265 -3.491 461 HD11 ILE 60 3HD1 ILE 60 10.827 -5.861 -1.915 462 HD12 ILE 60 1HD1 ILE 60 11.936 -6.039 -0.555 463 HD13 ILE 60 2HD1 ILE 60 10.277 -5.510 -0.277 464 H MET 61 H MET 61 11.128 0.550 -2.369 465 HA MET 61 HA MET 61 8.392 1.455 -2.309 466 HB2 MET 61 1HB MET 61 10.286 3.024 -2.066 467 HB3 MET 61 2HB MET 61 10.794 2.646 -3.706 468 HG2 MET 61 1HG MET 61 8.178 3.366 -4.053 469 HG3 MET 61 2HG MET 61 8.702 4.434 -2.753 470 HE1 MET 61 3HE MET 61 10.917 2.939 -5.653 471 HE2 MET 61 1HE MET 61 9.357 3.231 -6.422 472 HE3 MET 61 2HE MET 61 10.759 4.199 -6.878 473 H GLU 62 H GLU 62 7.032 1.767 -4.079 474 HA GLU 62 HA GLU 62 7.872 0.671 -6.656 475 HB2 GLU 62 1HB GLU 62 5.773 -0.451 -4.874 476 HB3 GLU 62 2HB GLU 62 5.419 -0.395 -6.595 477 HG2 GLU 62 1HG GLU 62 7.591 -1.888 -5.177 478 HG3 GLU 62 2HG GLU 62 6.330 -2.511 -6.239 479 H THR 63 H THR 63 7.135 1.824 -8.329 480 HA THR 63 HA THR 63 5.402 4.092 -7.779 481 HB THR 63 HB THR 63 6.746 3.358 -10.385 482 HG1 THR 63 1HG THR 63 8.125 5.241 -9.491 483 HG21 THR 63 3HG2 THR 63 4.791 5.246 -9.846 484 HG22 THR 63 1HG2 THR 63 5.868 5.228 -11.241 485 HG23 THR 63 2HG2 THR 63 6.292 6.170 -9.812 486 H ILE 64 H ILE 64 3.375 4.388 -8.568 487 HA ILE 64 HA ILE 64 2.273 2.345 -10.367 488 HB ILE 64 HB ILE 64 0.724 3.387 -8.004 489 HG12 ILE 64 1HG1 ILE 64 1.813 0.607 -8.065 490 HG13 ILE 64 2HG1 ILE 64 2.886 1.915 -7.578 491 HG21 ILE 64 1HG2 ILE 64 -0.880 2.560 -9.372 492 HG22 ILE 64 2HG2 ILE 64 0.236 1.482 -10.210 493 HG23 ILE 64 3HG2 ILE 64 -0.394 1.039 -8.623 494 HD11 ILE 64 3HD1 ILE 64 1.399 0.553 -5.854 495 HD12 ILE 64 1HD1 ILE 64 1.805 2.253 -5.623 496 HD13 ILE 64 2HD1 ILE 64 0.232 1.803 -6.284 497 H SER 65 H SER 65 0.585 3.030 -11.701 498 HA SER 65 HA SER 65 0.671 5.734 -12.500 499 HB2 SER 65 1HB SER 65 0.111 4.173 -14.182 500 HB3 SER 65 2HB SER 65 -1.152 3.436 -13.197 501 HG SER 65 HG SER 65 -1.190 6.034 -14.343 502 H GLY 66 H GLY 66 -0.538 7.464 -11.977 503 HA2 GLY 66 1HA GLY 66 -2.025 7.530 -9.609 504 HA3 GLY 66 2HA GLY 66 -2.047 8.774 -10.850 505 H ASP 67 H ASP 67 -2.975 6.595 -12.783 506 HA ASP 67 HA ASP 67 -5.769 7.124 -12.481 507 HB2 ASP 67 1HB ASP 67 -4.568 6.902 -14.684 508 HB3 ASP 67 2HB ASP 67 -4.465 5.169 -14.382 509 H ARG 68 H ARG 68 -3.651 4.420 -11.805 510 HA ARG 68 HA ARG 68 -5.899 2.685 -11.154 511 HB2 ARG 68 1HB ARG 68 -2.939 2.119 -10.929 512 HB3 ARG 68 2HB ARG 68 -4.244 0.944 -10.847 513 HG2 ARG 68 1HG ARG 68 -4.732 1.174 -13.140 514 HG3 ARG 68 2HG ARG 68 -3.750 2.633 -13.278 515 HD2 ARG 68 1HD ARG 68 -1.785 1.137 -12.585 516 HD3 ARG 68 2HD ARG 68 -2.855 -0.213 -12.960 517 HE ARG 68 HE ARG 68 -2.990 1.278 -15.196 518 HH11 ARG 68 1HH1 ARG 68 -0.313 0.081 -13.321 519 HH12 ARG 68 2HH1 ARG 68 0.754 -0.042 -14.681 520 HH21 ARG 68 1HH2 ARG 68 -1.596 1.121 -16.994 521 HH22 ARG 68 2HH2 ARG 68 0.023 0.551 -16.770 522 H LEU 69 H LEU 69 -6.173 1.727 -9.088 523 HA LEU 69 HA LEU 69 -4.937 3.244 -6.885 524 HB2 LEU 69 1HB LEU 69 -7.751 2.195 -7.118 525 HB3 LEU 69 2HB LEU 69 -7.058 2.851 -5.637 526 HG LEU 69 HG LEU 69 -7.219 4.482 -8.154 527 HD11 LEU 69 1HD1 LEU 69 -9.267 5.122 -6.242 528 HD12 LEU 69 2HD1 LEU 69 -9.435 3.456 -6.795 529 HD13 LEU 69 3HD1 LEU 69 -9.409 4.776 -7.965 530 HD21 LEU 69 3HD2 LEU 69 -5.962 5.753 -6.785 531 HD22 LEU 69 1HD2 LEU 69 -6.504 4.913 -5.332 532 HD23 LEU 69 2HD2 LEU 69 -7.518 6.160 -6.059 533 H THR 70 H THR 70 -4.435 0.541 -8.255 534 HA THR 70 HA THR 70 -4.184 -0.969 -5.752 535 HB THR 70 HB THR 70 -5.002 -2.982 -6.639 536 HG1 THR 70 1HG THR 70 -4.701 -1.699 -9.145 537 HG21 THR 70 3HG2 THR 70 -6.711 -1.082 -6.235 538 HG22 THR 70 1HG2 THR 70 -7.247 -2.534 -7.080 539 HG23 THR 70 2HG2 THR 70 -6.875 -1.069 -7.990 540 H HIS 71 H HIS 71 -2.601 -2.754 -5.917 541 HA HIS 71 HA HIS 71 -0.671 -2.525 -8.089 542 HB2 HIS 71 1HB HIS 71 0.217 -0.910 -6.560 543 HB3 HIS 71 2HB HIS 71 -0.012 -1.992 -5.190 544 HD1 HIS 71 1HD HIS 71 2.206 -1.461 -8.180 545 HD2 HIS 71 2HD HIS 71 2.035 -3.802 -4.751 546 HE1 HIS 71 1HE HIS 71 4.450 -2.584 -8.020 547 HE2 HIS 71 2HE HIS 71 4.294 -4.061 -5.985 548 H GLN 72 H GLN 72 -0.092 -4.493 -8.712 549 HA GLN 72 HA GLN 72 -0.553 -6.740 -6.892 550 HB2 GLN 72 1HB GLN 72 -1.582 -6.748 -9.173 551 HB3 GLN 72 2HB GLN 72 0.038 -6.808 -9.854 552 HG2 GLN 72 1HG GLN 72 -0.725 -8.871 -7.860 553 HG3 GLN 72 2HG GLN 72 -1.397 -8.983 -9.486 554 HE21 GLN 72 1HE2 GLN 72 -0.279 -10.836 -10.003 555 HE22 GLN 72 2HE2 GLN 72 1.428 -10.858 -10.264 556 H ILE 73 H ILE 73 1.051 -7.963 -6.097 557 HA ILE 73 HA ILE 73 3.789 -7.371 -7.013 558 HB ILE 73 HB ILE 73 2.963 -8.367 -4.285 559 HG12 ILE 73 1HG1 ILE 73 3.997 -5.613 -4.934 560 HG13 ILE 73 2HG1 ILE 73 2.275 -5.978 -4.946 561 HG21 ILE 73 1HG2 ILE 73 5.325 -7.631 -3.734 562 HG22 ILE 73 2HG2 ILE 73 5.166 -9.082 -4.723 563 HG23 ILE 73 3HG2 ILE 73 5.599 -7.546 -5.474 564 HD11 ILE 73 3HD1 ILE 73 4.063 -5.499 -2.718 565 HD12 ILE 73 1HD1 ILE 73 2.303 -5.434 -2.795 566 HD13 ILE 73 2HD1 ILE 73 3.118 -6.975 -2.526 567 H MET 74 H MET 74 5.311 -9.105 -7.045 568 HA MET 74 HA MET 74 4.146 -11.800 -7.013 569 HB2 MET 74 1HB MET 74 5.956 -10.728 -9.184 570 HB3 MET 74 2HB MET 74 5.338 -12.370 -9.074 571 HG2 MET 74 1HG MET 74 3.014 -11.165 -9.080 572 HG3 MET 74 2HG MET 74 3.933 -9.859 -9.824 573 HE1 MET 74 3HE MET 74 4.625 -10.943 -13.322 574 HE2 MET 74 1HE MET 74 4.200 -9.629 -12.224 575 HE3 MET 74 2HE MET 74 5.694 -10.534 -11.980 576 H ASP 75 H ASP 75 6.027 -13.464 -7.301 577 HA ASP 75 HA ASP 75 7.745 -14.473 -6.182 578 HB2 ASP 75 1HB ASP 75 9.911 -13.375 -6.433 579 HB3 ASP 75 2HB ASP 75 8.966 -13.209 -7.911 580 H LEU 76 H LEU 76 6.053 -13.753 -4.322 581 HA LEU 76 HA LEU 76 7.561 -12.250 -2.293 582 HB2 LEU 76 1HB LEU 76 4.631 -12.867 -2.579 583 HB3 LEU 76 2HB LEU 76 5.328 -12.216 -1.097 584 HG LEU 76 HG LEU 76 5.464 -10.833 -3.773 585 HD11 LEU 76 1HD1 LEU 76 3.465 -10.648 -1.545 586 HD12 LEU 76 2HD1 LEU 76 3.182 -10.839 -3.275 587 HD13 LEU 76 3HD1 LEU 76 3.761 -9.299 -2.642 588 HD21 LEU 76 3HD2 LEU 76 6.281 -8.969 -2.603 589 HD22 LEU 76 1HD2 LEU 76 7.184 -10.341 -1.960 590 HD23 LEU 76 2HD2 LEU 76 5.848 -9.654 -1.036 591 H ASN 77 H ASN 77 7.338 -13.038 -0.036 592 HA ASN 77 HA ASN 77 8.011 -15.822 0.085 593 HB2 ASN 77 1HB ASN 77 7.951 -13.544 2.007 594 HB3 ASN 77 2HB ASN 77 7.915 -15.176 2.668 595 HD21 ASN 77 1HD2 ASN 77 9.995 -13.450 3.172 596 HD22 ASN 77 2HD2 ASN 77 11.423 -14.033 2.394 597 H LEU 78 H LEU 78 6.907 -17.479 1.120 598 HA LEU 78 HA LEU 78 4.025 -17.021 1.412 599 HB2 LEU 78 1HB LEU 78 5.709 -19.353 0.677 600 HB3 LEU 78 2HB LEU 78 4.186 -19.669 1.507 601 HG LEU 78 HG LEU 78 2.927 -18.705 -0.271 602 HD11 LEU 78 1HD1 LEU 78 3.841 -17.555 -2.125 603 HD12 LEU 78 2HD1 LEU 78 5.489 -17.998 -1.680 604 HD13 LEU 78 3HD1 LEU 78 4.586 -16.853 -0.688 605 HD21 LEU 78 3HD2 LEU 78 4.930 -20.769 -0.835 606 HD22 LEU 78 1HD2 LEU 78 4.244 -20.003 -2.268 607 HD23 LEU 78 2HD2 LEU 78 3.184 -20.777 -1.089 608 H ASP 79 H ASP 79 2.997 -17.270 3.308 609 HA ASP 79 HA ASP 79 2.616 -17.652 5.520 610 HB2 ASP 79 1HB ASP 79 3.552 -19.959 4.820 611 HB3 ASP 79 2HB ASP 79 5.035 -19.438 5.615 612 H THR 80 H THR 80 4.001 -15.382 4.864 613 HA THR 80 HA THR 80 5.662 -15.025 7.250 614 HB THR 80 HB THR 80 6.478 -13.976 4.534 615 HG1 THR 80 1HG THR 80 6.916 -16.373 5.729 616 HG21 THR 80 3HG2 THR 80 8.621 -13.496 5.787 617 HG22 THR 80 1HG2 THR 80 7.728 -13.818 7.272 618 HG23 THR 80 2HG2 THR 80 7.242 -12.487 6.222 619 H MET 81 H MET 81 5.631 -12.948 8.125 620 HA MET 81 HA MET 81 3.286 -11.419 7.535 621 HB2 MET 81 1HB MET 81 4.594 -11.799 9.804 622 HB3 MET 81 2HB MET 81 5.455 -10.355 9.289 623 HG2 MET 81 1HG MET 81 3.806 -9.377 10.489 624 HG3 MET 81 2HG MET 81 2.995 -9.460 8.927 625 HE1 MET 81 3HE MET 81 0.676 -11.843 8.747 626 HE2 MET 81 1HE MET 81 -0.114 -10.565 9.670 627 HE3 MET 81 2HE MET 81 1.121 -10.157 8.479 628 H TYR 82 H TYR 82 3.085 -9.789 6.153 629 HA TYR 82 HA TYR 82 5.514 -8.351 5.309 630 HB2 TYR 82 1HB TYR 82 3.399 -9.651 3.679 631 HB3 TYR 82 2HB TYR 82 3.993 -8.094 3.112 632 HD1 TYR 82 1HD TYR 82 6.770 -8.037 3.485 633 HD2 TYR 82 2HD TYR 82 4.353 -11.411 2.549 634 HE1 TYR 82 1HE TYR 82 8.720 -9.146 2.475 635 HE2 TYR 82 2HE TYR 82 6.296 -12.529 1.537 636 HH TYR 82 HH TYR 82 9.259 -11.911 2.069 637 H TYR 83 H TYR 83 5.427 -6.265 5.771 638 HA TYR 83 HA TYR 83 2.920 -5.036 6.531 639 HB2 TYR 83 1HB TYR 83 5.655 -3.760 6.381 640 HB3 TYR 83 2HB TYR 83 4.252 -3.167 7.263 641 HD1 TYR 83 1HD TYR 83 3.298 -5.586 8.618 642 HD2 TYR 83 2HD TYR 83 7.271 -4.197 7.994 643 HE1 TYR 83 1HE TYR 83 4.034 -6.813 10.618 644 HE2 TYR 83 2HE TYR 83 8.019 -5.422 9.991 645 HH TYR 83 HH TYR 83 7.223 -7.448 11.314 646 H PHE 84 H PHE 84 1.952 -3.273 5.538 647 HA PHE 84 HA PHE 84 2.923 -2.636 2.831 648 HB2 PHE 84 1HB PHE 84 0.110 -3.179 3.768 649 HB3 PHE 84 2HB PHE 84 0.446 -2.311 2.273 650 HD1 PHE 84 1HD PHE 84 1.631 -3.456 0.425 651 HD2 PHE 84 2HD PHE 84 0.333 -5.530 3.908 652 HE1 PHE 84 1HE PHE 84 1.862 -5.597 -0.767 653 HE2 PHE 84 2HE PHE 84 0.562 -7.673 2.722 654 HZ PHE 84 HZ PHE 84 1.328 -7.709 0.382 655 H ARG 85 H ARG 85 3.094 -0.531 2.333 656 HA ARG 85 HA ARG 85 1.626 1.468 3.852 657 HB2 ARG 85 1HB ARG 85 4.589 1.092 3.980 658 HB3 ARG 85 2HB ARG 85 3.935 2.723 4.038 659 HG2 ARG 85 1HG ARG 85 2.504 1.984 5.955 660 HG3 ARG 85 2HG ARG 85 3.408 0.468 5.954 661 HD2 ARG 85 1HD ARG 85 5.315 1.445 6.743 662 HD3 ARG 85 2HD ARG 85 4.950 3.004 6.005 663 HE ARG 85 HE ARG 85 3.065 2.821 7.908 664 HH11 ARG 85 1HH1 ARG 85 6.512 2.339 7.980 665 HH12 ARG 85 2HH1 ARG 85 6.679 2.843 9.629 666 HH21 ARG 85 1HH2 ARG 85 3.272 3.487 10.079 667 HH22 ARG 85 2HH2 ARG 85 4.835 3.495 10.823 668 H ILE 86 H ILE 86 0.650 2.472 2.207 669 HA ILE 86 HA ILE 86 2.289 3.251 -0.115 670 HB ILE 86 HB ILE 86 0.413 1.719 -0.647 671 HG12 ILE 86 1HG1 ILE 86 0.045 4.513 -1.750 672 HG13 ILE 86 2HG1 ILE 86 1.272 3.373 -2.291 673 HG21 ILE 86 1HG2 ILE 86 -1.574 1.983 0.300 674 HG22 ILE 86 2HG2 ILE 86 -1.010 3.457 1.085 675 HG23 ILE 86 3HG2 ILE 86 -1.759 3.540 -0.509 676 HD11 ILE 86 3HD1 ILE 86 -0.439 3.226 -3.869 677 HD12 ILE 86 1HD1 ILE 86 -0.658 1.812 -2.839 678 HD13 ILE 86 2HD1 ILE 86 -1.698 3.221 -2.634 679 H GLN 87 H GLN 87 1.701 5.306 -1.145 680 HA GLN 87 HA GLN 87 0.349 7.231 0.585 681 HB2 GLN 87 1HB GLN 87 2.253 8.852 0.231 682 HB3 GLN 87 2HB GLN 87 2.589 7.515 1.322 683 HG2 GLN 87 1HG GLN 87 3.672 6.339 -0.609 684 HG3 GLN 87 2HG GLN 87 3.509 7.840 -1.519 685 HE21 GLN 87 1HE2 GLN 87 3.988 9.564 0.720 686 HE22 GLN 87 2HE2 GLN 87 5.671 9.450 1.096 687 H ALA 88 H ALA 88 0.512 9.502 -0.635 688 HA ALA 88 HA ALA 88 -0.230 8.967 -3.438 689 HB1 ALA 88 3HB ALA 88 -1.259 11.431 -2.219 690 HB2 ALA 88 1HB ALA 88 -2.069 10.238 -3.236 691 HB3 ALA 88 2HB ALA 88 -1.872 9.937 -1.509 692 H ARG 89 H ARG 89 0.559 10.281 -5.037 693 HA ARG 89 HA ARG 89 2.334 12.482 -4.246 694 HB2 ARG 89 1HB ARG 89 3.901 10.776 -4.646 695 HB3 ARG 89 2HB ARG 89 2.995 10.143 -6.014 696 HG2 ARG 89 1HG ARG 89 3.601 12.057 -7.354 697 HG3 ARG 89 2HG ARG 89 4.417 12.796 -5.975 698 HD2 ARG 89 1HD ARG 89 6.126 11.188 -5.985 699 HD3 ARG 89 2HD ARG 89 5.202 10.091 -7.010 700 HE ARG 89 HE ARG 89 5.523 12.226 -8.606 701 HH11 ARG 89 1HH1 ARG 89 7.763 10.399 -6.666 702 HH12 ARG 89 2HH1 ARG 89 9.111 10.691 -7.714 703 HH21 ARG 89 1HH2 ARG 89 7.290 12.617 -9.994 704 HH22 ARG 89 2HH2 ARG 89 8.841 11.953 -9.607 705 H ASN 90 H ASN 90 2.088 14.282 -5.426 706 HA ASN 90 HA ASN 90 0.424 14.103 -7.850 707 HB2 ASN 90 1HB ASN 90 -0.020 16.586 -7.329 708 HB3 ASN 90 2HB ASN 90 -0.797 15.383 -6.302 709 HD21 ASN 90 1HD2 ASN 90 -1.001 17.039 -4.721 710 HD22 ASN 90 2HD2 ASN 90 0.342 17.463 -3.719 711 H SER 91 H SER 91 0.807 16.025 -9.366 712 HA SER 91 HA SER 91 3.276 15.864 -10.534 713 HB2 SER 91 1HB SER 91 1.080 17.872 -10.632 714 HB3 SER 91 2HB SER 91 2.632 18.338 -11.326 715 HG SER 91 HG SER 91 1.579 17.359 -12.963 716 H LYS 92 H LYS 92 2.442 17.539 -7.673 717 HA LYS 92 HA LYS 92 4.744 19.310 -7.757 718 HB2 LYS 92 1HB LYS 92 2.655 18.840 -5.622 719 HB3 LYS 92 2HB LYS 92 3.940 20.036 -5.514 720 HG2 LYS 92 1HG LYS 92 2.138 20.102 -7.878 721 HG3 LYS 92 2HG LYS 92 1.529 20.685 -6.327 722 HD2 LYS 92 1HD LYS 92 2.980 22.457 -6.269 723 HD3 LYS 92 2HD LYS 92 4.200 21.629 -7.241 724 HE2 LYS 92 1HE LYS 92 2.646 21.853 -9.199 725 HE3 LYS 92 2HE LYS 92 1.626 22.878 -8.190 726 HZ1 LYS 92 3HZ LYS 92 3.772 24.218 -7.844 727 HZ2 LYS 92 1HZ LYS 92 2.952 24.380 -9.315 728 HZ3 LYS 92 2HZ LYS 92 4.336 23.412 -9.221 729 H GLY 93 H GLY 93 3.604 17.207 -5.121 730 HA2 GLY 93 1HA GLY 93 6.212 15.888 -5.039 731 HA3 GLY 93 2HA GLY 93 5.746 16.825 -3.627 732 H VAL 94 H VAL 94 5.955 14.773 -2.490 733 HA VAL 94 HA VAL 94 3.525 13.129 -2.778 734 HB VAL 94 HB VAL 94 5.399 11.786 -3.472 735 HG11 VAL 94 1HG1 VAL 94 7.250 12.931 -2.523 736 HG12 VAL 94 2HG1 VAL 94 6.657 12.667 -0.882 737 HG13 VAL 94 3HG1 VAL 94 7.251 11.307 -1.836 738 HG21 VAL 94 3HG2 VAL 94 3.865 10.450 -2.347 739 HG22 VAL 94 1HG2 VAL 94 5.387 10.068 -1.542 740 HG23 VAL 94 2HG2 VAL 94 4.238 11.168 -0.780 741 H GLY 95 H GLY 95 2.456 12.529 -0.916 742 HA2 GLY 95 1HA GLY 95 3.143 14.095 1.454 743 HA3 GLY 95 2HA GLY 95 1.616 13.277 1.155 744 HA PRO 96 HA PRO 96 3.990 10.801 4.269 745 HB2 PRO 96 1HB PRO 96 1.875 10.430 5.930 746 HB3 PRO 96 2HB PRO 96 2.926 11.849 6.015 747 HG2 PRO 96 1HG PRO 96 0.240 11.555 4.725 748 HG3 PRO 96 2HG PRO 96 0.866 12.887 5.715 749 HD2 PRO 96 1HD PRO 96 0.769 13.001 3.011 750 HD3 PRO 96 2HD PRO 96 2.036 13.810 3.956 751 H LEU 97 H LEU 97 3.090 8.649 5.324 752 HA LEU 97 HA LEU 97 1.744 7.150 3.175 753 HB2 LEU 97 1HB LEU 97 3.611 5.990 5.225 754 HB3 LEU 97 2HB LEU 97 3.023 5.237 3.744 755 HG LEU 97 HG LEU 97 4.330 7.295 2.661 756 HD11 LEU 97 1HD1 LEU 97 5.822 6.731 5.219 757 HD12 LEU 97 2HD1 LEU 97 5.013 8.241 4.800 758 HD13 LEU 97 3HD1 LEU 97 6.411 7.703 3.870 759 HD21 LEU 97 3HD2 LEU 97 5.738 5.715 1.887 760 HD22 LEU 97 1HD2 LEU 97 4.637 4.617 2.719 761 HD23 LEU 97 2HD2 LEU 97 6.136 5.124 3.501 762 H SER 98 H SER 98 0.729 5.055 4.042 763 HA SER 98 HA SER 98 -1.012 5.809 6.259 764 HB2 SER 98 1HB SER 98 -1.804 4.877 3.967 765 HB3 SER 98 2HB SER 98 -1.320 3.310 4.614 766 HG SER 98 HG SER 98 -3.370 5.031 5.451 767 H ASP 99 H ASP 99 -1.719 3.930 7.704 768 HA ASP 99 HA ASP 99 0.514 3.037 9.170 769 HB2 ASP 99 1HB ASP 99 -2.418 2.367 9.256 770 HB3 ASP 99 2HB ASP 99 -1.266 1.547 10.306 771 HA PRO 100 HA PRO 100 1.679 -0.665 7.105 772 HB2 PRO 100 1HB PRO 100 2.803 -2.006 9.181 773 HB3 PRO 100 2HB PRO 100 3.575 -0.620 8.402 774 HG2 PRO 100 1HG PRO 100 1.997 -0.728 10.944 775 HG3 PRO 100 2HG PRO 100 3.507 0.137 10.600 776 HD2 PRO 100 1HD PRO 100 1.095 1.367 10.616 777 HD3 PRO 100 2HD PRO 100 2.419 1.875 9.548 778 H ILE 101 H ILE 101 0.400 -2.276 6.475 779 HA ILE 101 HA ILE 101 -1.518 -3.415 8.368 780 HB ILE 101 HB ILE 101 -1.345 -3.755 5.372 781 HG12 ILE 101 1HG1 ILE 101 -3.070 -1.988 7.113 782 HG13 ILE 101 2HG1 ILE 101 -1.918 -1.477 5.884 783 HG21 ILE 101 1HG2 ILE 101 -3.822 -4.341 6.880 784 HG22 ILE 101 2HG2 ILE 101 -3.161 -5.112 5.439 785 HG23 ILE 101 3HG2 ILE 101 -2.499 -5.498 7.027 786 HD11 ILE 101 3HD1 ILE 101 -4.246 -3.183 5.130 787 HD12 ILE 101 1HD1 ILE 101 -4.449 -1.447 5.365 788 HD13 ILE 101 2HD1 ILE 101 -3.321 -2.046 4.149 789 H LEU 102 H LEU 102 -1.456 -5.481 9.051 790 HA LEU 102 HA LEU 102 0.873 -7.072 8.288 791 HB2 LEU 102 1HB LEU 102 -0.943 -6.961 10.628 792 HB3 LEU 102 2HB LEU 102 -0.227 -8.523 10.235 793 HG LEU 102 HG LEU 102 2.024 -7.320 10.315 794 HD11 LEU 102 1HD1 LEU 102 1.035 -5.039 10.224 795 HD12 LEU 102 2HD1 LEU 102 2.156 -5.283 11.563 796 HD13 LEU 102 3HD1 LEU 102 0.417 -5.291 11.856 797 HD21 LEU 102 3HD2 LEU 102 0.692 -8.740 12.150 798 HD22 LEU 102 1HD2 LEU 102 0.838 -7.213 13.021 799 HD23 LEU 102 2HD2 LEU 102 2.285 -8.041 12.445 800 H PHE 103 H PHE 103 0.440 -8.148 6.438 801 HA PHE 103 HA PHE 103 -1.961 -9.858 6.415 802 HB2 PHE 103 1HB PHE 103 -2.337 -8.318 4.683 803 HB3 PHE 103 2HB PHE 103 -0.644 -8.313 4.197 804 HD1 PHE 103 1HD PHE 103 -3.708 -10.394 4.249 805 HD2 PHE 103 2HD PHE 103 0.125 -9.743 2.518 806 HE1 PHE 103 1HE PHE 103 -4.206 -12.075 2.523 807 HE2 PHE 103 2HE PHE 103 -0.366 -11.422 0.788 808 HZ PHE 103 HZ PHE 103 -2.534 -12.591 0.789 809 H ARG 104 H ARG 104 -1.338 -11.870 6.850 810 HA ARG 104 HA ARG 104 1.298 -12.828 6.223 811 HB2 ARG 104 1HB ARG 104 -0.362 -13.464 8.192 812 HB3 ARG 104 2HB ARG 104 -0.894 -14.679 7.038 813 HG2 ARG 104 1HG ARG 104 1.069 -15.837 7.136 814 HG3 ARG 104 2HG ARG 104 2.019 -14.407 7.545 815 HD2 ARG 104 1HD ARG 104 2.034 -15.429 9.576 816 HD3 ARG 104 2HD ARG 104 0.530 -14.523 9.740 817 HE ARG 104 HE ARG 104 0.821 -17.390 9.460 818 HH11 ARG 104 1HH1 ARG 104 -1.312 -14.642 9.334 819 HH12 ARG 104 2HH1 ARG 104 -2.748 -15.581 9.572 820 HH21 ARG 104 1HH2 ARG 104 -1.063 -18.637 9.775 821 HH22 ARG 104 2HH2 ARG 104 -2.605 -17.853 9.824 822 H THR 105 H THR 105 1.899 -13.606 4.323 823 HA THR 105 HA THR 105 0.184 -14.000 2.148 824 HB THR 105 HB THR 105 2.129 -15.205 1.097 825 HG1 THR 105 1HG THR 105 4.095 -14.710 2.625 826 HG21 THR 105 3HG2 THR 105 2.097 -12.923 0.645 827 HG22 THR 105 1HG2 THR 105 3.694 -13.153 1.355 828 HG23 THR 105 2HG2 THR 105 2.384 -12.484 2.328 829 H LEU 106 H LEU 106 0.060 -16.108 0.897 830 HA LEU 106 HA LEU 106 -1.318 -18.021 2.450 831 HB2 LEU 106 1HB LEU 106 -0.490 -17.749 -0.376 832 HB3 LEU 106 2HB LEU 106 -0.853 -19.378 0.188 833 HG LEU 106 HG LEU 106 -2.732 -17.017 0.221 834 HD11 LEU 106 1HD1 LEU 106 -2.483 -19.444 -1.526 835 HD12 LEU 106 2HD1 LEU 106 -2.578 -17.747 -1.997 836 HD13 LEU 106 3HD1 LEU 106 -4.003 -18.565 -1.356 837 HD21 LEU 106 3HD2 LEU 106 -4.077 -19.456 0.642 838 HD22 LEU 106 1HD2 LEU 106 -3.895 -18.106 1.763 839 HD23 LEU 106 2HD2 LEU 106 -2.719 -19.420 1.768 840 H LYS 107 H LYS 107 -0.742 -20.452 2.152 841 HA LYS 107 HA LYS 107 2.135 -20.846 2.627 842 HB2 LYS 107 1HB LYS 107 -0.084 -22.191 4.179 843 HB3 LYS 107 2HB LYS 107 1.644 -22.400 4.429 844 HG2 LYS 107 1HG LYS 107 1.196 -20.921 6.092 845 HG3 LYS 107 2HG LYS 107 1.554 -19.787 4.788 846 HD2 LYS 107 1HD LYS 107 -0.418 -18.922 5.602 847 HD3 LYS 107 2HD LYS 107 -1.015 -19.979 4.321 848 HE2 LYS 107 1HE LYS 107 -0.691 -21.119 7.048 849 HE3 LYS 107 2HE LYS 107 -2.040 -20.021 6.762 850 HZ1 LYS 107 3HZ LYS 107 -3.122 -21.748 5.927 851 HZ2 LYS 107 1HZ LYS 107 -1.749 -22.735 5.991 852 HZ3 LYS 107 2HZ LYS 107 -2.033 -21.768 4.632 853 H VAL 108 H VAL 108 2.768 -21.960 0.884 854 HA VAL 108 HA VAL 108 1.100 -24.213 -0.019 855 HB VAL 108 HB VAL 108 3.241 -22.719 -1.542 856 HG11 VAL 108 1HG1 VAL 108 2.648 -24.043 -3.440 857 HG12 VAL 108 2HG1 VAL 108 2.992 -25.144 -2.104 858 HG13 VAL 108 3HG1 VAL 108 1.323 -24.806 -2.563 859 HG21 VAL 108 3HG2 VAL 108 1.112 -21.469 -1.119 860 HG22 VAL 108 1HG2 VAL 108 1.479 -21.742 -2.822 861 HG23 VAL 108 2HG2 VAL 108 0.264 -22.731 -2.013 862 H SER 109 H SER 109 1.825 -25.866 1.255 863 HA SER 109 HA SER 109 4.710 -26.445 1.201 864 HB2 SER 109 1HB SER 109 4.211 -27.926 3.170 865 HB3 SER 109 2HB SER 109 3.906 -26.213 3.459 866 HG SER 109 HG SER 109 2.152 -28.331 3.382 867 H GLY 110 H GLY 110 5.213 -28.852 1.301 868 HA2 GLY 110 1HA GLY 110 3.302 -30.406 -0.315 869 HA3 GLY 110 2HA GLY 110 4.977 -30.269 -0.829 870 HA PRO 111 HA PRO 111 4.529 -34.087 1.777 871 HB2 PRO 111 1HB PRO 111 5.841 -35.715 0.045 872 HB3 PRO 111 2HB PRO 111 4.105 -35.399 -0.061 873 HG2 PRO 111 1HG PRO 111 6.351 -34.176 -1.616 874 HG3 PRO 111 2HG PRO 111 4.768 -34.734 -2.188 875 HD2 PRO 111 1HD PRO 111 5.314 -32.122 -1.733 876 HD3 PRO 111 2HD PRO 111 3.699 -32.816 -1.489 877 H SER 112 H SER 112 7.335 -33.189 -0.236 878 HA SER 112 HA SER 112 9.041 -32.790 1.988 879 HB2 SER 112 1HB SER 112 8.841 -35.317 1.956 880 HB3 SER 112 2HB SER 112 9.672 -35.283 0.401 881 HG SER 112 HG SER 112 11.214 -33.871 1.814 882 H SER 113 H SER 113 11.089 -31.992 1.393 883 HA SER 113 HA SER 113 12.612 -30.929 0.076 884 HB2 SER 113 1HB SER 113 12.668 -33.142 -1.116 885 HB3 SER 113 2HB SER 113 11.457 -32.509 -2.231 886 HG SER 113 HG SER 113 13.594 -32.253 -3.024 887 H GLY 114 H GLY 114 10.263 -29.600 0.643 888 HA2 GLY 114 1HA GLY 114 8.993 -27.801 -0.006 889 HA3 GLY 114 2HA GLY 114 10.290 -27.476 -1.146 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -1.928 32.632 -10.760 2 HA2 GLY 1 1HA GLY 1 0.732 33.176 -9.858 3 HA3 GLY 1 2HA GLY 1 -0.261 32.493 -8.579 4 H SER 2 H SER 2 2.084 31.546 -10.353 5 HA SER 2 HA SER 2 0.871 28.956 -11.067 6 HB2 SER 2 1HB SER 2 3.016 30.543 -12.468 7 HB3 SER 2 2HB SER 2 2.841 28.806 -12.720 8 HG SER 2 HG SER 2 1.597 30.577 -14.044 9 H SER 3 H SER 3 3.890 30.549 -10.075 10 HA SER 3 HA SER 3 5.215 28.155 -9.336 11 HB2 SER 3 1HB SER 3 6.414 30.255 -9.853 12 HB3 SER 3 2HB SER 3 5.743 30.984 -8.394 13 HG SER 3 HG SER 3 7.730 29.044 -8.672 14 H GLY 4 H GLY 4 3.975 26.915 -7.966 15 HA2 GLY 4 1HA GLY 4 4.202 27.340 -5.216 16 HA3 GLY 4 2HA GLY 4 2.606 27.896 -5.697 17 H SER 5 H SER 5 4.717 25.129 -5.393 18 HA SER 5 HA SER 5 2.348 23.396 -5.467 19 HB2 SER 5 1HB SER 5 3.703 21.661 -6.649 20 HB3 SER 5 2HB SER 5 3.409 23.100 -7.624 21 HG SER 5 HG SER 5 5.622 22.297 -7.624 22 H SER 6 H SER 6 2.340 21.723 -4.015 23 HA SER 6 HA SER 6 4.723 21.373 -2.332 24 HB2 SER 6 1HB SER 6 2.861 22.891 -1.333 25 HB3 SER 6 2HB SER 6 1.978 21.381 -1.107 26 HG SER 6 HG SER 6 3.634 22.325 0.562 27 H GLY 7 H GLY 7 1.400 20.077 -2.373 28 HA2 GLY 7 1HA GLY 7 1.322 17.785 -3.538 29 HA3 GLY 7 2HA GLY 7 2.566 17.373 -2.368 30 HA PRO 8 HA PRO 8 -1.719 16.453 -0.668 31 HB2 PRO 8 1HB PRO 8 -1.333 13.789 -0.319 32 HB3 PRO 8 2HB PRO 8 -1.957 14.480 -1.821 33 HG2 PRO 8 1HG PRO 8 0.825 13.601 -1.154 34 HG3 PRO 8 2HG PRO 8 -0.105 13.337 -2.640 35 HD2 PRO 8 1HD PRO 8 1.787 15.263 -2.427 36 HD3 PRO 8 2HD PRO 8 0.344 15.450 -3.445 37 H THR 9 H THR 9 -2.081 16.493 1.480 38 HA THR 9 HA THR 9 0.226 16.057 3.249 39 HB THR 9 HB THR 9 -1.046 17.408 4.913 40 HG1 THR 9 1HG THR 9 -2.835 18.653 3.933 41 HG21 THR 9 3HG2 THR 9 -1.054 19.300 2.719 42 HG22 THR 9 1HG2 THR 9 0.377 18.272 2.686 43 HG23 THR 9 2HG2 THR 9 0.003 19.217 4.127 44 H SER 10 H SER 10 -1.673 13.995 2.181 45 HA SER 10 HA SER 10 -2.156 12.674 4.717 46 HB2 SER 10 1HB SER 10 -4.251 13.939 4.300 47 HB3 SER 10 2HB SER 10 -4.426 13.100 2.759 48 HG SER 10 HG SER 10 -5.573 11.843 4.069 49 H ALA 11 H ALA 11 -2.757 10.391 4.431 50 HA ALA 11 HA ALA 11 -1.511 9.315 2.002 51 HB1 ALA 11 3HB ALA 11 -1.243 8.672 4.727 52 HB2 ALA 11 1HB ALA 11 -2.052 7.302 3.964 53 HB3 ALA 11 2HB ALA 11 -0.499 7.867 3.345 54 HA PRO 12 HA PRO 12 -5.157 7.433 0.447 55 HB2 PRO 12 1HB PRO 12 -4.372 4.912 -0.186 56 HB3 PRO 12 2HB PRO 12 -3.858 6.336 -1.099 57 HG2 PRO 12 1HG PRO 12 -2.391 4.814 1.020 58 HG3 PRO 12 2HG PRO 12 -1.786 5.457 -0.517 59 HD2 PRO 12 1HD PRO 12 -1.375 6.708 1.849 60 HD3 PRO 12 2HD PRO 12 -1.561 7.593 0.321 61 H LYS 13 H LYS 13 -6.817 5.826 0.781 62 HA LYS 13 HA LYS 13 -6.647 4.483 3.399 63 HB2 LYS 13 1HB LYS 13 -9.075 4.935 3.667 64 HB3 LYS 13 2HB LYS 13 -8.098 6.398 3.632 65 HG2 LYS 13 1HG LYS 13 -8.689 6.371 1.084 66 HG3 LYS 13 2HG LYS 13 -10.031 5.357 1.619 67 HD2 LYS 13 1HD LYS 13 -10.969 7.458 1.749 68 HD3 LYS 13 2HD LYS 13 -10.367 7.246 3.395 69 HE2 LYS 13 1HE LYS 13 -8.607 8.502 1.338 70 HE3 LYS 13 2HE LYS 13 -9.893 9.458 2.073 71 HZ1 LYS 13 3HZ LYS 13 -7.450 8.398 3.270 72 HZ2 LYS 13 1HZ LYS 13 -8.829 8.447 4.250 73 HZ3 LYS 13 2HZ LYS 13 -8.240 9.868 3.546 74 H ASP 14 H ASP 14 -8.807 2.978 3.483 75 HA ASP 14 HA ASP 14 -9.619 0.953 2.829 76 HB2 ASP 14 1HB ASP 14 -10.710 2.572 1.181 77 HB3 ASP 14 2HB ASP 14 -9.510 2.027 0.013 78 H LEU 15 H LEU 15 -6.752 1.224 2.980 79 HA LEU 15 HA LEU 15 -5.562 -0.143 0.768 80 HB2 LEU 15 1HB LEU 15 -4.310 1.396 2.217 81 HB3 LEU 15 2HB LEU 15 -4.524 0.282 3.567 82 HG LEU 15 HG LEU 15 -3.192 -1.403 2.323 83 HD11 LEU 15 1HD1 LEU 15 -1.735 -0.141 0.485 84 HD12 LEU 15 2HD1 LEU 15 -3.246 0.746 0.288 85 HD13 LEU 15 3HD1 LEU 15 -3.221 -1.007 0.092 86 HD21 LEU 15 3HD2 LEU 15 -2.158 1.206 3.259 87 HD22 LEU 15 1HD2 LEU 15 -1.035 0.172 2.376 88 HD23 LEU 15 2HD2 LEU 15 -1.820 -0.425 3.838 89 H THR 16 H THR 16 -6.211 -2.162 0.344 90 HA THR 16 HA THR 16 -6.180 -4.102 2.564 91 HB THR 16 HB THR 16 -7.973 -4.274 0.138 92 HG1 THR 16 1HG THR 16 -8.727 -2.589 1.403 93 HG21 THR 16 3HG2 THR 16 -9.099 -5.830 2.033 94 HG22 THR 16 1HG2 THR 16 -7.396 -6.017 2.449 95 HG23 THR 16 2HG2 THR 16 -7.959 -6.430 0.829 96 H VAL 17 H VAL 17 -5.437 -6.204 2.086 97 HA VAL 17 HA VAL 17 -4.086 -6.528 -0.506 98 HB VAL 17 HB VAL 17 -2.881 -7.100 2.204 99 HG11 VAL 17 1HG1 VAL 17 -1.724 -7.674 -0.522 100 HG12 VAL 17 2HG1 VAL 17 -0.956 -7.982 1.037 101 HG13 VAL 17 3HG1 VAL 17 -2.397 -8.886 0.568 102 HG21 VAL 17 3HG2 VAL 17 -2.562 -4.966 0.193 103 HG22 VAL 17 1HG2 VAL 17 -2.319 -4.929 1.939 104 HG23 VAL 17 2HG2 VAL 17 -1.071 -5.600 0.889 105 H ILE 18 H ILE 18 -4.723 -8.328 -1.475 106 HA ILE 18 HA ILE 18 -5.490 -10.635 0.189 107 HB ILE 18 HB ILE 18 -7.186 -11.221 -1.519 108 HG12 ILE 18 1HG1 ILE 18 -6.841 -8.419 -2.577 109 HG13 ILE 18 2HG1 ILE 18 -6.039 -9.802 -3.314 110 HG21 ILE 18 1HG2 ILE 18 -8.647 -9.067 -0.972 111 HG22 ILE 18 2HG2 ILE 18 -8.258 -10.279 0.248 112 HG23 ILE 18 3HG2 ILE 18 -7.326 -8.784 0.161 113 HD11 ILE 18 3HD1 ILE 18 -8.119 -10.794 -3.891 114 HD12 ILE 18 1HD1 ILE 18 -9.014 -9.608 -2.941 115 HD13 ILE 18 2HD1 ILE 18 -8.168 -9.108 -4.405 116 H THR 19 H THR 19 -4.994 -12.678 -0.614 117 HA THR 19 HA THR 19 -2.729 -12.761 -2.387 118 HB THR 19 HB THR 19 -2.722 -14.239 -0.477 119 HG1 THR 19 1HG THR 19 -1.770 -15.015 -2.450 120 HG21 THR 19 3HG2 THR 19 -4.794 -16.071 -1.437 121 HG22 THR 19 1HG2 THR 19 -5.414 -14.511 -0.901 122 HG23 THR 19 2HG2 THR 19 -4.455 -15.503 0.197 123 H ARG 20 H ARG 20 -2.881 -12.854 -4.522 124 HA ARG 20 HA ARG 20 -5.167 -13.063 -6.023 125 HB2 ARG 20 1HB ARG 20 -2.683 -12.519 -6.682 126 HB3 ARG 20 2HB ARG 20 -2.629 -14.227 -7.097 127 HG2 ARG 20 1HG ARG 20 -4.249 -13.990 -8.770 128 HG3 ARG 20 2HG ARG 20 -4.761 -12.412 -8.167 129 HD2 ARG 20 1HD ARG 20 -2.906 -11.334 -9.038 130 HD3 ARG 20 2HD ARG 20 -1.953 -12.815 -9.107 131 HE ARG 20 HE ARG 20 -2.809 -13.226 -11.188 132 HH11 ARG 20 1HH1 ARG 20 -4.761 -10.814 -9.609 133 HH12 ARG 20 2HH1 ARG 20 -5.703 -10.465 -11.021 134 HH21 ARG 20 1HH2 ARG 20 -4.043 -12.776 -13.053 135 HH22 ARG 20 2HH2 ARG 20 -5.295 -11.582 -12.979 136 H GLU 21 H GLU 21 -6.471 -14.653 -6.710 137 HA GLU 21 HA GLU 21 -6.320 -17.227 -5.551 138 HB2 GLU 21 1HB GLU 21 -8.342 -17.685 -6.627 139 HB3 GLU 21 2HB GLU 21 -8.388 -15.943 -6.399 140 HG2 GLU 21 1HG GLU 21 -7.578 -15.680 -8.735 141 HG3 GLU 21 2HG GLU 21 -7.736 -17.424 -8.934 142 H GLY 22 H GLY 22 -5.280 -15.921 -8.627 143 HA2 GLY 22 1HA GLY 22 -4.805 -18.490 -9.833 144 HA3 GLY 22 2HA GLY 22 -4.308 -16.929 -10.469 145 H LYS 23 H LYS 23 -2.971 -16.280 -7.874 146 HA LYS 23 HA LYS 23 -0.787 -18.204 -7.789 147 HB2 LYS 23 1HB LYS 23 -0.429 -15.315 -8.596 148 HB3 LYS 23 2HB LYS 23 0.893 -16.348 -8.070 149 HG2 LYS 23 1HG LYS 23 -0.859 -17.217 -10.324 150 HG3 LYS 23 2HG LYS 23 0.419 -16.030 -10.602 151 HD2 LYS 23 1HD LYS 23 2.103 -17.550 -9.913 152 HD3 LYS 23 2HD LYS 23 0.914 -18.677 -9.255 153 HE2 LYS 23 1HE LYS 23 0.822 -17.968 -12.153 154 HE3 LYS 23 2HE LYS 23 2.028 -19.121 -11.584 155 HZ1 LYS 23 3HZ LYS 23 0.302 -20.520 -10.731 156 HZ2 LYS 23 1HZ LYS 23 -0.055 -20.166 -12.347 157 HZ3 LYS 23 2HZ LYS 23 -0.890 -19.380 -11.104 158 HA PRO 24 HA PRO 24 -1.199 -17.078 -3.519 159 HB2 PRO 24 1HB PRO 24 0.887 -18.552 -2.601 160 HB3 PRO 24 2HB PRO 24 -0.664 -19.264 -3.059 161 HG2 PRO 24 1HG PRO 24 1.883 -19.107 -4.623 162 HG3 PRO 24 2HG PRO 24 0.760 -20.468 -4.447 163 HD2 PRO 24 1HD PRO 24 0.778 -18.867 -6.631 164 HD3 PRO 24 2HD PRO 24 -0.704 -19.626 -6.015 165 H ARG 25 H ARG 25 2.117 -17.236 -4.838 166 HA ARG 25 HA ARG 25 3.267 -15.447 -3.018 167 HB2 ARG 25 1HB ARG 25 4.132 -15.902 -5.877 168 HB3 ARG 25 2HB ARG 25 5.128 -15.311 -4.554 169 HG2 ARG 25 1HG ARG 25 4.483 -17.592 -3.447 170 HG3 ARG 25 2HG ARG 25 4.162 -18.070 -5.116 171 HD2 ARG 25 1HD ARG 25 6.363 -17.903 -5.730 172 HD3 ARG 25 2HD ARG 25 6.724 -16.687 -4.506 173 HE ARG 25 HE ARG 25 6.097 -19.210 -3.340 174 HH11 ARG 25 1HH1 ARG 25 8.624 -17.413 -4.923 175 HH12 ARG 25 2HH1 ARG 25 9.906 -18.313 -4.183 176 HH21 ARG 25 1HH2 ARG 25 7.776 -20.402 -2.360 177 HH22 ARG 25 2HH2 ARG 25 9.423 -20.014 -2.727 178 H ALA 26 H ALA 26 1.013 -14.860 -5.432 179 HA ALA 26 HA ALA 26 1.841 -12.065 -5.775 180 HB1 ALA 26 3HB ALA 26 0.678 -13.973 -7.523 181 HB2 ALA 26 1HB ALA 26 -0.473 -12.653 -7.307 182 HB3 ALA 26 2HB ALA 26 1.164 -12.314 -7.871 183 H VAL 27 H VAL 27 0.480 -10.354 -5.270 184 HA VAL 27 HA VAL 27 -2.044 -10.961 -3.917 185 HB VAL 27 HB VAL 27 -1.531 -9.481 -2.047 186 HG11 VAL 27 1HG1 VAL 27 -0.998 -11.449 -1.138 187 HG12 VAL 27 2HG1 VAL 27 -0.134 -11.977 -2.583 188 HG13 VAL 27 3HG1 VAL 27 0.683 -10.978 -1.381 189 HG21 VAL 27 3HG2 VAL 27 1.003 -8.943 -1.778 190 HG22 VAL 27 1HG2 VAL 27 1.036 -9.114 -3.533 191 HG23 VAL 27 2HG2 VAL 27 -0.008 -7.906 -2.785 192 H ILE 28 H ILE 28 -3.508 -9.198 -3.812 193 HA ILE 28 HA ILE 28 -2.903 -7.074 -5.759 194 HB ILE 28 HB ILE 28 -5.667 -7.880 -4.888 195 HG12 ILE 28 1HG1 ILE 28 -4.236 -9.775 -5.920 196 HG13 ILE 28 2HG1 ILE 28 -5.830 -9.466 -6.601 197 HG21 ILE 28 1HG2 ILE 28 -6.127 -6.038 -6.064 198 HG22 ILE 28 2HG2 ILE 28 -4.510 -5.978 -6.764 199 HG23 ILE 28 3HG2 ILE 28 -5.747 -7.004 -7.489 200 HD11 ILE 28 3HD1 ILE 28 -3.438 -9.624 -7.975 201 HD12 ILE 28 1HD1 ILE 28 -4.974 -9.019 -8.593 202 HD13 ILE 28 2HD1 ILE 28 -3.793 -7.898 -7.915 203 H VAL 29 H VAL 29 -2.067 -5.482 -4.477 204 HA VAL 29 HA VAL 29 -3.398 -4.718 -2.016 205 HB VAL 29 HB VAL 29 -1.034 -3.441 -3.399 206 HG11 VAL 29 1HG1 VAL 29 -1.632 -1.769 -1.991 207 HG12 VAL 29 2HG1 VAL 29 -2.517 -2.847 -0.909 208 HG13 VAL 29 3HG1 VAL 29 -0.757 -2.763 -0.828 209 HG21 VAL 29 3HG2 VAL 29 -0.166 -5.476 -2.814 210 HG22 VAL 29 1HG2 VAL 29 0.080 -4.599 -1.304 211 HG23 VAL 29 2HG2 VAL 29 -1.290 -5.696 -1.474 212 H SER 30 H SER 30 -5.243 -3.617 -2.236 213 HA SER 30 HA SER 30 -5.446 -1.574 -4.333 214 HB2 SER 30 1HB SER 30 -7.369 -2.801 -4.568 215 HB3 SER 30 2HB SER 30 -7.413 -3.259 -2.865 216 HG SER 30 HG SER 30 -9.007 -1.628 -3.763 217 H TRP 31 H TRP 31 -6.838 0.369 -3.658 218 HA TRP 31 HA TRP 31 -6.861 1.213 -0.959 219 HB2 TRP 31 1HB TRP 31 -5.130 2.946 -1.050 220 HB3 TRP 31 2HB TRP 31 -4.431 1.347 -1.291 221 HD1 TRP 31 HD TRP 31 -5.198 4.592 -3.186 222 HE1 TRP 31 1HE TRP 31 -3.798 4.627 -5.345 223 HE3 TRP 31 3HE TRP 31 -3.269 -0.138 -2.980 224 HZ2 TRP 31 2HZ TRP 31 -2.101 2.881 -6.773 225 HZ3 TRP 31 3HZ TRP 31 -1.766 -0.879 -4.782 226 HH2 TRP 31 HH TRP 31 -1.195 0.601 -6.638 227 H GLN 32 H GLN 32 -7.047 3.796 -0.965 228 HA GLN 32 HA GLN 32 -8.672 4.577 -3.289 229 HB2 GLN 32 1HB GLN 32 -9.421 4.516 -0.414 230 HB3 GLN 32 2HB GLN 32 -9.977 5.891 -1.357 231 HG2 GLN 32 1HG GLN 32 -11.414 3.700 -1.116 232 HG3 GLN 32 2HG GLN 32 -11.402 4.643 -2.605 233 HE21 GLN 32 1HE2 GLN 32 -10.648 3.744 -4.440 234 HE22 GLN 32 2HE2 GLN 32 -10.044 2.130 -4.559 235 HA PRO 33 HA PRO 33 -6.476 8.373 -3.301 236 HB2 PRO 33 1HB PRO 33 -8.399 10.139 -4.045 237 HB3 PRO 33 2HB PRO 33 -7.699 8.957 -5.156 238 HG2 PRO 33 1HG PRO 33 -10.284 8.842 -3.650 239 HG3 PRO 33 2HG PRO 33 -9.949 8.398 -5.334 240 HD2 PRO 33 1HD PRO 33 -10.151 6.560 -3.355 241 HD3 PRO 33 2HD PRO 33 -9.075 6.346 -4.751 242 HA PRO 34 HA PRO 34 -7.111 10.113 0.739 243 HB2 PRO 34 1HB PRO 34 -5.159 11.994 0.588 244 HB3 PRO 34 2HB PRO 34 -4.822 10.279 0.851 245 HG2 PRO 34 1HG PRO 34 -4.683 11.872 -1.680 246 HG3 PRO 34 2HG PRO 34 -3.552 10.654 -1.061 247 HD2 PRO 34 1HD PRO 34 -5.383 10.100 -2.977 248 HD3 PRO 34 2HD PRO 34 -4.852 8.895 -1.787 249 H LEU 35 H LEU 35 -8.164 11.853 1.615 250 HA LEU 35 HA LEU 35 -9.685 13.505 -0.101 251 HB2 LEU 35 1HB LEU 35 -9.279 13.265 2.828 252 HB3 LEU 35 2HB LEU 35 -9.983 14.763 2.223 253 HG LEU 35 HG LEU 35 -11.756 13.312 2.904 254 HD11 LEU 35 1HD1 LEU 35 -11.613 14.480 0.457 255 HD12 LEU 35 2HD1 LEU 35 -13.056 13.717 1.123 256 HD13 LEU 35 3HD1 LEU 35 -12.011 12.817 0.025 257 HD21 LEU 35 3HD2 LEU 35 -10.438 11.257 1.137 258 HD22 LEU 35 1HD2 LEU 35 -12.063 11.093 1.804 259 HD23 LEU 35 2HD2 LEU 35 -10.671 11.182 2.884 260 H GLU 36 H GLU 36 -6.885 14.172 1.981 261 HA GLU 36 HA GLU 36 -6.731 16.916 1.103 262 HB2 GLU 36 1HB GLU 36 -4.755 15.297 2.721 263 HB3 GLU 36 2HB GLU 36 -4.745 17.044 2.520 264 HG2 GLU 36 1HG GLU 36 -6.871 17.209 3.686 265 HG3 GLU 36 2HG GLU 36 -6.922 15.456 3.860 266 H ALA 37 H ALA 37 -6.666 15.368 -1.121 267 HA ALA 37 HA ALA 37 -4.009 14.725 -1.958 268 HB1 ALA 37 3HB ALA 37 -6.672 14.425 -2.991 269 HB2 ALA 37 1HB ALA 37 -5.600 15.060 -4.240 270 HB3 ALA 37 2HB ALA 37 -5.200 13.551 -3.418 271 H ASN 38 H ASN 38 -5.471 17.635 -1.438 272 HA ASN 38 HA ASN 38 -5.243 19.760 -2.290 273 HB2 ASN 38 1HB ASN 38 -2.452 18.637 -2.146 274 HB3 ASN 38 2HB ASN 38 -2.745 20.313 -2.598 275 HD21 ASN 38 1HD2 ASN 38 -1.794 18.549 -0.133 276 HD22 ASN 38 2HD2 ASN 38 -2.452 19.437 1.195 277 H GLY 39 H GLY 39 -6.069 17.999 -4.315 278 HA2 GLY 39 1HA GLY 39 -6.138 19.236 -6.600 279 HA3 GLY 39 2HA GLY 39 -4.449 18.753 -6.648 280 H LYS 40 H LYS 40 -4.281 17.186 -8.111 281 HA LYS 40 HA LYS 40 -6.076 14.871 -7.850 282 HB2 LYS 40 1HB LYS 40 -6.877 16.023 -9.781 283 HB3 LYS 40 2HB LYS 40 -5.245 16.282 -10.384 284 HG2 LYS 40 1HG LYS 40 -5.144 13.682 -10.434 285 HG3 LYS 40 2HG LYS 40 -6.905 13.805 -10.415 286 HD2 LYS 40 1HD LYS 40 -6.945 14.996 -12.449 287 HD3 LYS 40 2HD LYS 40 -5.213 15.332 -12.377 288 HE2 LYS 40 1HE LYS 40 -6.233 12.517 -12.518 289 HE3 LYS 40 2HE LYS 40 -6.070 13.492 -13.978 290 HZ1 LYS 40 3HZ LYS 40 -4.054 12.174 -12.456 291 HZ2 LYS 40 1HZ LYS 40 -3.699 13.818 -12.645 292 HZ3 LYS 40 2HZ LYS 40 -3.961 12.847 -14.006 293 H ILE 41 H ILE 41 -4.878 13.202 -7.236 294 HA ILE 41 HA ILE 41 -2.134 13.005 -7.237 295 HB ILE 41 HB ILE 41 -4.006 10.657 -7.551 296 HG12 ILE 41 1HG1 ILE 41 -4.886 11.847 -5.721 297 HG13 ILE 41 2HG1 ILE 41 -3.819 10.657 -4.985 298 HG21 ILE 41 1HG2 ILE 41 -2.256 9.338 -7.155 299 HG22 ILE 41 2HG2 ILE 41 -1.243 10.748 -7.460 300 HG23 ILE 41 3HG2 ILE 41 -1.711 10.340 -5.810 301 HD11 ILE 41 3HD1 ILE 41 -2.097 12.680 -5.228 302 HD12 ILE 41 1HD1 ILE 41 -3.600 13.594 -5.095 303 HD13 ILE 41 2HD1 ILE 41 -3.139 12.462 -3.823 304 H THR 42 H THR 42 -0.578 12.270 -8.610 305 HA THR 42 HA THR 42 -1.443 11.603 -11.349 306 HB THR 42 HB THR 42 0.744 12.556 -12.107 307 HG1 THR 42 1HG THR 42 1.922 13.799 -10.649 308 HG21 THR 42 3HG2 THR 42 -0.640 14.757 -10.661 309 HG22 THR 42 1HG2 THR 42 -1.575 13.808 -11.815 310 HG23 THR 42 2HG2 THR 42 -0.125 14.661 -12.344 311 H ALA 43 H ALA 43 0.385 10.659 -8.612 312 HA ALA 43 HA ALA 43 1.081 8.159 -9.893 313 HB1 ALA 43 3HB ALA 43 3.398 8.264 -9.681 314 HB2 ALA 43 1HB ALA 43 2.967 9.853 -10.314 315 HB3 ALA 43 2HB ALA 43 3.332 9.655 -8.599 316 H TYR 44 H TYR 44 1.323 6.480 -8.454 317 HA TYR 44 HA TYR 44 1.002 7.161 -5.604 318 HB2 TYR 44 1HB TYR 44 -0.332 5.037 -7.261 319 HB3 TYR 44 2HB TYR 44 -0.189 4.865 -5.516 320 HD1 TYR 44 2HD TYR 44 -0.969 7.044 -4.171 321 HD2 TYR 44 1HD TYR 44 -2.269 5.980 -8.080 322 HE1 TYR 44 2HE TYR 44 -2.988 8.414 -3.865 323 HE2 TYR 44 1HE TYR 44 -4.291 7.348 -7.786 324 HH TYR 44 HH TYR 44 -5.669 8.202 -5.839 325 H ILE 45 H ILE 45 2.667 6.555 -4.407 326 HA ILE 45 HA ILE 45 4.413 4.404 -5.381 327 HB ILE 45 HB ILE 45 5.035 6.355 -3.169 328 HG12 ILE 45 1HG1 ILE 45 6.515 7.326 -5.140 329 HG13 ILE 45 2HG1 ILE 45 5.241 6.633 -6.137 330 HG21 ILE 45 1HG2 ILE 45 6.363 4.285 -3.254 331 HG22 ILE 45 2HG2 ILE 45 6.830 4.670 -4.910 332 HG23 ILE 45 3HG2 ILE 45 7.336 5.718 -3.585 333 HD11 ILE 45 3HD1 ILE 45 4.159 8.543 -5.838 334 HD12 ILE 45 1HD1 ILE 45 3.863 8.006 -4.184 335 HD13 ILE 45 2HD1 ILE 45 5.244 9.044 -4.541 336 H LEU 46 H LEU 46 4.378 2.489 -4.418 337 HA LEU 46 HA LEU 46 3.149 2.282 -1.751 338 HB2 LEU 46 1HB LEU 46 1.867 1.024 -3.261 339 HB3 LEU 46 2HB LEU 46 3.296 0.381 -4.068 340 HG LEU 46 HG LEU 46 3.725 -0.771 -1.760 341 HD11 LEU 46 1HD1 LEU 46 1.489 -1.430 -0.764 342 HD12 LEU 46 2HD1 LEU 46 0.807 -0.062 -1.643 343 HD13 LEU 46 3HD1 LEU 46 2.053 0.206 -0.423 344 HD21 LEU 46 3HD2 LEU 46 2.000 -2.584 -2.553 345 HD22 LEU 46 1HD2 LEU 46 3.433 -2.219 -3.513 346 HD23 LEU 46 2HD2 LEU 46 1.872 -1.535 -3.965 347 H PHE 47 H PHE 47 4.095 0.930 -0.184 348 HA PHE 47 HA PHE 47 6.820 -0.005 -0.738 349 HB2 PHE 47 1HB PHE 47 6.092 1.549 1.749 350 HB3 PHE 47 2HB PHE 47 7.691 0.988 1.275 351 HD1 PHE 47 1HD PHE 47 4.922 3.108 -0.050 352 HD2 PHE 47 2HD PHE 47 9.120 2.506 0.319 353 HE1 PHE 47 1HE PHE 47 5.327 5.247 -1.196 354 HE2 PHE 47 2HE PHE 47 9.531 4.644 -0.825 355 HZ PHE 47 HZ PHE 47 7.633 6.019 -1.584 356 H TYR 48 H TYR 48 7.232 -1.972 0.058 357 HA TYR 48 HA TYR 48 5.575 -2.997 2.252 358 HB2 TYR 48 1HB TYR 48 5.301 -5.144 1.082 359 HB3 TYR 48 2HB TYR 48 4.566 -3.822 0.182 360 HD1 TYR 48 2HD TYR 48 5.637 -2.985 -1.882 361 HD2 TYR 48 1HD TYR 48 7.144 -6.383 0.188 362 HE1 TYR 48 2HE TYR 48 6.931 -3.618 -3.875 363 HE2 TYR 48 1HE TYR 48 8.444 -7.025 -1.799 364 HH TYR 48 HH TYR 48 8.652 -4.938 -4.610 365 H THR 49 H THR 49 6.555 -4.546 3.556 366 HA THR 49 HA THR 49 9.091 -5.699 2.971 367 HB THR 49 HB THR 49 9.568 -3.207 3.581 368 HG1 THR 49 1HG THR 49 11.405 -4.159 4.986 369 HG21 THR 49 3HG2 THR 49 8.169 -3.177 5.603 370 HG22 THR 49 1HG2 THR 49 9.854 -2.810 5.971 371 HG23 THR 49 2HG2 THR 49 9.201 -4.409 6.328 372 H LEU 50 H LEU 50 10.054 -6.690 5.056 373 HA LEU 50 HA LEU 50 7.849 -7.561 6.806 374 HB2 LEU 50 1HB LEU 50 9.260 -9.720 6.962 375 HB3 LEU 50 2HB LEU 50 8.231 -9.457 5.556 376 HG LEU 50 HG LEU 50 10.263 -8.669 4.322 377 HD11 LEU 50 1HD1 LEU 50 12.023 -8.141 5.587 378 HD12 LEU 50 2HD1 LEU 50 12.326 -9.876 5.672 379 HD13 LEU 50 3HD1 LEU 50 11.429 -9.073 6.961 380 HD21 LEU 50 3HD2 LEU 50 10.449 -10.744 3.533 381 HD22 LEU 50 1HD2 LEU 50 9.340 -11.229 4.816 382 HD23 LEU 50 2HD2 LEU 50 11.082 -11.353 5.063 383 H ASP 51 H ASP 51 10.645 -5.868 6.699 384 HA ASP 51 HA ASP 51 11.258 -6.482 9.514 385 HB2 ASP 51 1HB ASP 51 13.074 -6.202 7.179 386 HB3 ASP 51 2HB ASP 51 13.617 -5.499 8.701 387 H LYS 52 H LYS 52 9.463 -4.710 9.465 388 HA LYS 52 HA LYS 52 9.679 -2.136 8.739 389 HB2 LYS 52 1HB LYS 52 8.482 -1.500 10.788 390 HB3 LYS 52 2HB LYS 52 7.823 -2.971 10.086 391 HG2 LYS 52 1HG LYS 52 9.101 -4.293 11.727 392 HG3 LYS 52 2HG LYS 52 9.669 -2.791 12.458 393 HD2 LYS 52 1HD LYS 52 7.345 -2.159 12.936 394 HD3 LYS 52 2HD LYS 52 6.793 -3.677 12.226 395 HE2 LYS 52 1HE LYS 52 7.908 -4.946 13.929 396 HE3 LYS 52 2HE LYS 52 8.679 -3.496 14.570 397 HZ1 LYS 52 3HZ LYS 52 6.019 -4.512 15.016 398 HZ2 LYS 52 1HZ LYS 52 6.069 -2.855 14.683 399 HZ3 LYS 52 2HZ LYS 52 6.960 -3.485 15.975 400 H ASN 53 H ASN 53 11.734 -3.753 11.012 401 HA ASN 53 HA ASN 53 12.810 -1.824 12.573 402 HB2 ASN 53 1HB ASN 53 15.021 -3.025 12.309 403 HB3 ASN 53 2HB ASN 53 13.655 -4.050 12.740 404 HD21 ASN 53 1HD2 ASN 53 14.159 -5.946 11.862 405 HD22 ASN 53 2HD2 ASN 53 14.518 -6.206 10.192 406 H ILE 54 H ILE 54 13.460 -2.307 9.138 407 HA ILE 54 HA ILE 54 15.406 -0.185 9.026 408 HB ILE 54 HB ILE 54 15.184 -0.523 6.523 409 HG12 ILE 54 1HG1 ILE 54 13.679 -3.023 7.264 410 HG13 ILE 54 2HG1 ILE 54 12.834 -1.541 6.830 411 HG21 ILE 54 1HG2 ILE 54 16.524 -2.494 6.533 412 HG22 ILE 54 2HG2 ILE 54 16.893 -1.595 8.004 413 HG23 ILE 54 3HG2 ILE 54 15.850 -3.015 8.077 414 HD11 ILE 54 3HD1 ILE 54 13.545 -3.468 5.083 415 HD12 ILE 54 1HD1 ILE 54 13.289 -1.777 4.651 416 HD13 ILE 54 2HD1 ILE 54 14.922 -2.374 4.948 417 HA PRO 55 HA PRO 55 12.781 3.244 8.237 418 HB2 PRO 55 1HB PRO 55 14.279 4.676 6.483 419 HB3 PRO 55 2HB PRO 55 14.678 4.540 8.200 420 HG2 PRO 55 1HG PRO 55 15.812 3.044 5.868 421 HG3 PRO 55 2HG PRO 55 16.653 3.749 7.261 422 HD2 PRO 55 1HD PRO 55 16.084 1.108 7.086 423 HD3 PRO 55 2HD PRO 55 16.128 1.974 8.635 424 H ILE 56 H ILE 56 11.133 3.801 6.910 425 HA ILE 56 HA ILE 56 10.134 2.268 4.943 426 HB ILE 56 HB ILE 56 8.990 4.254 5.894 427 HG12 ILE 56 1HG1 ILE 56 7.890 4.952 3.709 428 HG13 ILE 56 2HG1 ILE 56 9.073 3.936 2.892 429 HG21 ILE 56 1HG2 ILE 56 10.169 6.005 3.812 430 HG22 ILE 56 2HG2 ILE 56 9.537 6.407 5.408 431 HG23 ILE 56 3HG2 ILE 56 11.136 5.681 5.251 432 HD11 ILE 56 3HD1 ILE 56 7.586 2.304 3.107 433 HD12 ILE 56 1HD1 ILE 56 8.035 2.267 4.812 434 HD13 ILE 56 2HD1 ILE 56 6.639 3.209 4.287 435 H ASP 57 H ASP 57 12.828 4.422 4.637 436 HA ASP 57 HA ASP 57 12.860 4.687 1.824 437 HB2 ASP 57 1HB ASP 57 14.192 6.228 2.999 438 HB3 ASP 57 2HB ASP 57 14.961 4.966 3.959 439 H ASP 58 H ASP 58 14.475 2.408 4.015 440 HA ASP 58 HA ASP 58 15.851 0.986 1.996 441 HB2 ASP 58 1HB ASP 58 16.062 0.998 4.652 442 HB3 ASP 58 2HB ASP 58 15.019 -0.413 4.493 443 H TRP 59 H TRP 59 12.593 0.881 3.149 444 HA TRP 59 HA TRP 59 11.822 -1.700 2.478 445 HB2 TRP 59 1HB TRP 59 10.239 0.871 2.295 446 HB3 TRP 59 2HB TRP 59 9.537 -0.742 2.191 447 HD1 TRP 59 HD TRP 59 12.293 -0.065 4.739 448 HE1 TRP 59 1HE TRP 59 11.287 -0.198 7.104 449 HE3 TRP 59 3HE TRP 59 7.345 -0.403 3.498 450 HZ2 TRP 59 2HZ TRP 59 8.733 -0.417 8.288 451 HZ3 TRP 59 3HZ TRP 59 5.685 -0.571 5.306 452 HH2 TRP 59 HH TRP 59 6.366 -0.578 7.651 453 H ILE 60 H ILE 60 10.198 -2.145 0.617 454 HA ILE 60 HA ILE 60 11.608 -1.540 -1.860 455 HB ILE 60 HB ILE 60 9.334 -3.457 -1.334 456 HG12 ILE 60 1HG1 ILE 60 12.166 -4.216 -1.985 457 HG13 ILE 60 2HG1 ILE 60 11.704 -3.850 -0.326 458 HG21 ILE 60 1HG2 ILE 60 10.685 -2.569 -3.793 459 HG22 ILE 60 2HG2 ILE 60 10.476 -4.311 -3.623 460 HG23 ILE 60 3HG2 ILE 60 9.073 -3.246 -3.561 461 HD11 ILE 60 3HD1 ILE 60 10.256 -5.887 -1.983 462 HD12 ILE 60 1HD1 ILE 60 11.677 -6.281 -1.016 463 HD13 ILE 60 2HD1 ILE 60 10.220 -5.666 -0.234 464 H MET 61 H MET 61 11.028 0.411 -2.642 465 HA MET 61 HA MET 61 8.305 1.348 -2.525 466 HB2 MET 61 1HB MET 61 10.206 2.902 -2.311 467 HB3 MET 61 2HB MET 61 10.705 2.510 -3.951 468 HG2 MET 61 1HG MET 61 8.124 3.257 -4.341 469 HG3 MET 61 2HG MET 61 8.592 4.293 -2.994 470 HE1 MET 61 3HE MET 61 9.395 3.103 -6.576 471 HE2 MET 61 1HE MET 61 10.663 4.207 -7.111 472 HE3 MET 61 2HE MET 61 11.019 2.977 -5.898 473 H GLU 62 H GLU 62 6.918 1.698 -4.271 474 HA GLU 62 HA GLU 62 7.689 0.591 -6.865 475 HB2 GLU 62 1HB GLU 62 5.542 -0.456 -5.074 476 HB3 GLU 62 2HB GLU 62 5.263 -0.463 -6.810 477 HG2 GLU 62 1HG GLU 62 7.381 -1.906 -5.257 478 HG3 GLU 62 2HG GLU 62 6.127 -2.579 -6.296 479 H THR 63 H THR 63 7.168 1.992 -8.395 480 HA THR 63 HA THR 63 5.383 4.189 -7.837 481 HB THR 63 HB THR 63 6.833 3.504 -10.401 482 HG1 THR 63 1HG THR 63 7.581 5.547 -8.602 483 HG21 THR 63 3HG2 THR 63 4.821 5.430 -9.837 484 HG22 THR 63 1HG2 THR 63 5.741 5.210 -11.325 485 HG23 THR 63 2HG2 THR 63 6.345 6.286 -10.066 486 H ILE 64 H ILE 64 3.325 4.419 -8.475 487 HA ILE 64 HA ILE 64 2.241 2.478 -10.407 488 HB ILE 64 HB ILE 64 0.674 3.505 -8.049 489 HG12 ILE 64 1HG1 ILE 64 1.718 0.710 -8.129 490 HG13 ILE 64 2HG1 ILE 64 2.815 1.991 -7.626 491 HG21 ILE 64 1HG2 ILE 64 -0.923 2.716 -9.446 492 HG22 ILE 64 2HG2 ILE 64 0.192 1.645 -10.292 493 HG23 ILE 64 3HG2 ILE 64 -0.459 1.176 -8.722 494 HD11 ILE 64 3HD1 ILE 64 1.803 2.244 -5.647 495 HD12 ILE 64 1HD1 ILE 64 0.189 2.041 -6.327 496 HD13 ILE 64 2HD1 ILE 64 1.179 0.626 -5.968 497 H SER 65 H SER 65 0.377 3.192 -11.591 498 HA SER 65 HA SER 65 0.571 5.921 -12.398 499 HB2 SER 65 1HB SER 65 -1.063 3.561 -13.212 500 HB3 SER 65 2HB SER 65 -1.634 5.163 -13.677 501 HG SER 65 HG SER 65 -0.311 4.630 -15.301 502 H GLY 66 H GLY 66 -0.447 7.634 -11.598 503 HA2 GLY 66 1HA GLY 66 -1.994 7.663 -9.325 504 HA3 GLY 66 2HA GLY 66 -2.027 8.931 -10.542 505 H ASP 67 H ASP 67 -2.980 6.793 -12.507 506 HA ASP 67 HA ASP 67 -5.770 7.320 -12.165 507 HB2 ASP 67 1HB ASP 67 -4.302 5.556 -14.136 508 HB3 ASP 67 2HB ASP 67 -6.025 5.915 -14.210 509 H ARG 68 H ARG 68 -3.695 4.486 -11.788 510 HA ARG 68 HA ARG 68 -5.927 2.789 -11.071 511 HB2 ARG 68 1HB ARG 68 -2.969 2.198 -10.884 512 HB3 ARG 68 2HB ARG 68 -4.282 1.030 -10.841 513 HG2 ARG 68 1HG ARG 68 -4.836 1.505 -13.141 514 HG3 ARG 68 2HG ARG 68 -3.614 2.777 -13.199 515 HD2 ARG 68 1HD ARG 68 -1.965 0.911 -12.530 516 HD3 ARG 68 2HD ARG 68 -3.243 -0.193 -13.036 517 HE ARG 68 HE ARG 68 -2.753 1.728 -15.050 518 HH11 ARG 68 1HH1 ARG 68 -1.376 -1.117 -13.592 519 HH12 ARG 68 2HH1 ARG 68 -0.518 -1.593 -15.020 520 HH21 ARG 68 1HH2 ARG 68 -1.628 1.113 -16.937 521 HH22 ARG 68 2HH2 ARG 68 -0.661 -0.323 -16.922 522 H LEU 69 H LEU 69 -6.182 1.768 -9.032 523 HA LEU 69 HA LEU 69 -4.915 3.211 -6.797 524 HB2 LEU 69 1HB LEU 69 -7.732 2.156 -6.982 525 HB3 LEU 69 2HB LEU 69 -7.007 2.857 -5.536 526 HG LEU 69 HG LEU 69 -7.214 4.439 -8.075 527 HD11 LEU 69 1HD1 LEU 69 -9.443 4.164 -7.947 528 HD12 LEU 69 2HD1 LEU 69 -9.312 5.337 -6.638 529 HD13 LEU 69 3HD1 LEU 69 -9.388 3.613 -6.273 530 HD21 LEU 69 3HD2 LEU 69 -5.922 5.642 -6.624 531 HD22 LEU 69 1HD2 LEU 69 -6.699 4.962 -5.193 532 HD23 LEU 69 2HD2 LEU 69 -7.523 6.203 -6.137 533 H THR 70 H THR 70 -4.482 0.532 -8.263 534 HA THR 70 HA THR 70 -4.199 -1.048 -5.806 535 HB THR 70 HB THR 70 -5.000 -3.052 -6.796 536 HG1 THR 70 1HG THR 70 -5.753 -2.980 -9.043 537 HG21 THR 70 3HG2 THR 70 -7.312 -2.545 -7.286 538 HG22 THR 70 1HG2 THR 70 -6.902 -0.872 -7.659 539 HG23 THR 70 2HG2 THR 70 -6.744 -1.471 -6.008 540 H HIS 71 H HIS 71 -2.599 -2.774 -5.981 541 HA HIS 71 HA HIS 71 -0.737 -2.587 -8.215 542 HB2 HIS 71 1HB HIS 71 0.171 -0.919 -6.745 543 HB3 HIS 71 2HB HIS 71 0.020 -1.986 -5.352 544 HD1 HIS 71 1HD HIS 71 2.062 -1.539 -8.491 545 HD2 HIS 71 2HD HIS 71 2.154 -3.670 -4.927 546 HE1 HIS 71 1HE HIS 71 4.341 -2.598 -8.400 547 HE2 HIS 71 2HE HIS 71 4.343 -3.951 -6.276 548 H GLN 72 H GLN 72 0.078 -4.522 -8.733 549 HA GLN 72 HA GLN 72 -0.434 -6.750 -6.894 550 HB2 GLN 72 1HB GLN 72 -1.344 -6.733 -9.282 551 HB3 GLN 72 2HB GLN 72 0.317 -6.978 -9.803 552 HG2 GLN 72 1HG GLN 72 0.279 -8.990 -8.186 553 HG3 GLN 72 2HG GLN 72 -1.473 -8.820 -8.280 554 HE21 GLN 72 1HE2 GLN 72 -2.205 -8.476 -10.671 555 HE22 GLN 72 2HE2 GLN 72 -1.565 -9.628 -11.789 556 H ILE 73 H ILE 73 1.181 -7.845 -5.972 557 HA ILE 73 HA ILE 73 3.927 -7.218 -6.833 558 HB ILE 73 HB ILE 73 3.065 -8.246 -4.129 559 HG12 ILE 73 1HG1 ILE 73 3.978 -5.438 -4.680 560 HG13 ILE 73 2HG1 ILE 73 2.284 -5.877 -4.867 561 HG21 ILE 73 1HG2 ILE 73 5.407 -7.178 -3.627 562 HG22 ILE 73 2HG2 ILE 73 5.283 -8.809 -4.284 563 HG23 ILE 73 3HG2 ILE 73 5.666 -7.457 -5.349 564 HD11 ILE 73 3HD1 ILE 73 2.512 -4.975 -2.707 565 HD12 ILE 73 1HD1 ILE 73 2.368 -6.720 -2.497 566 HD13 ILE 73 2HD1 ILE 73 3.947 -5.943 -2.372 567 H MET 74 H MET 74 5.482 -8.889 -6.894 568 HA MET 74 HA MET 74 4.413 -11.626 -6.840 569 HB2 MET 74 1HB MET 74 6.141 -10.422 -9.007 570 HB3 MET 74 2HB MET 74 5.770 -12.135 -8.866 571 HG2 MET 74 1HG MET 74 3.294 -11.278 -8.899 572 HG3 MET 74 2HG MET 74 4.020 -9.873 -9.677 573 HE1 MET 74 3HE MET 74 3.297 -9.754 -11.880 574 HE2 MET 74 1HE MET 74 5.011 -9.943 -12.252 575 HE3 MET 74 2HE MET 74 3.804 -10.825 -13.187 576 H ASP 75 H ASP 75 6.040 -13.288 -6.574 577 HA ASP 75 HA ASP 75 7.884 -14.211 -5.609 578 HB2 ASP 75 1HB ASP 75 9.024 -12.638 -7.293 579 HB3 ASP 75 2HB ASP 75 9.306 -11.574 -5.917 580 H LEU 76 H LEU 76 6.033 -13.496 -3.857 581 HA LEU 76 HA LEU 76 7.388 -11.984 -1.734 582 HB2 LEU 76 1HB LEU 76 4.542 -12.527 -2.404 583 HB3 LEU 76 2HB LEU 76 4.969 -12.288 -0.711 584 HG LEU 76 HG LEU 76 5.296 -10.321 -2.972 585 HD11 LEU 76 1HD1 LEU 76 3.850 -8.978 -1.315 586 HD12 LEU 76 2HD1 LEU 76 3.479 -10.549 -0.604 587 HD13 LEU 76 3HD1 LEU 76 3.080 -10.228 -2.292 588 HD21 LEU 76 3HD2 LEU 76 6.362 -10.312 -0.170 589 HD22 LEU 76 1HD2 LEU 76 6.006 -8.808 -1.019 590 HD23 LEU 76 2HD2 LEU 76 7.194 -9.932 -1.678 591 H ASN 77 H ASN 77 7.917 -12.905 0.179 592 HA ASN 77 HA ASN 77 8.366 -15.624 0.389 593 HB2 ASN 77 1HB ASN 77 8.126 -13.446 2.449 594 HB3 ASN 77 2HB ASN 77 8.417 -15.114 2.934 595 HD21 ASN 77 1HD2 ASN 77 10.293 -13.516 3.702 596 HD22 ASN 77 2HD2 ASN 77 11.704 -13.602 2.708 597 H LEU 78 H LEU 78 7.404 -17.231 1.795 598 HA LEU 78 HA LEU 78 4.479 -16.960 1.898 599 HB2 LEU 78 1HB LEU 78 6.063 -19.513 2.036 600 HB3 LEU 78 2HB LEU 78 4.334 -19.328 1.745 601 HG LEU 78 HG LEU 78 6.563 -18.590 -0.151 602 HD11 LEU 78 1HD1 LEU 78 6.248 -20.967 -0.047 603 HD12 LEU 78 2HD1 LEU 78 5.538 -20.367 -1.546 604 HD13 LEU 78 3HD1 LEU 78 4.499 -20.786 -0.184 605 HD21 LEU 78 3HD2 LEU 78 3.971 -17.514 0.044 606 HD22 LEU 78 1HD2 LEU 78 3.954 -18.627 -1.324 607 HD23 LEU 78 2HD2 LEU 78 5.132 -17.316 -1.269 608 H ASP 79 H ASP 79 3.332 -17.767 3.719 609 HA ASP 79 HA ASP 79 2.924 -17.801 5.964 610 HB2 ASP 79 1HB ASP 79 4.098 -19.474 7.196 611 HB3 ASP 79 2HB ASP 79 3.991 -20.049 5.535 612 H THR 80 H THR 80 4.519 -15.572 4.948 613 HA THR 80 HA THR 80 5.843 -14.823 7.469 614 HB THR 80 HB THR 80 6.804 -13.918 4.754 615 HG1 THR 80 1HG THR 80 7.042 -16.282 5.351 616 HG21 THR 80 3HG2 THR 80 8.536 -13.946 7.154 617 HG22 THR 80 1HG2 THR 80 7.241 -12.751 7.131 618 HG23 THR 80 2HG2 THR 80 8.441 -12.775 5.839 619 H MET 81 H MET 81 5.134 -12.981 8.339 620 HA MET 81 HA MET 81 2.983 -11.547 7.190 621 HB2 MET 81 1HB MET 81 3.523 -11.815 9.662 622 HB3 MET 81 2HB MET 81 4.743 -10.569 9.435 623 HG2 MET 81 1HG MET 81 3.209 -8.908 9.193 624 HG3 MET 81 2HG MET 81 1.987 -9.983 8.519 625 HE1 MET 81 3HE MET 81 -0.351 -10.468 10.526 626 HE2 MET 81 1HE MET 81 0.700 -11.496 9.551 627 HE3 MET 81 2HE MET 81 0.490 -11.828 11.270 628 H TYR 82 H TYR 82 2.900 -9.650 6.094 629 HA TYR 82 HA TYR 82 5.447 -8.278 5.552 630 HB2 TYR 82 1HB TYR 82 3.442 -9.365 3.643 631 HB3 TYR 82 2HB TYR 82 4.175 -7.816 3.244 632 HD1 TYR 82 1HD TYR 82 6.863 -7.845 3.673 633 HD2 TYR 82 2HD TYR 82 4.446 -11.213 2.713 634 HE1 TYR 82 1HE TYR 82 8.842 -9.005 2.784 635 HE2 TYR 82 2HE TYR 82 6.418 -12.382 1.823 636 HH TYR 82 HH TYR 82 9.565 -10.784 1.620 637 H TYR 83 H TYR 83 5.397 -6.194 6.046 638 HA TYR 83 HA TYR 83 2.880 -4.932 6.723 639 HB2 TYR 83 1HB TYR 83 5.614 -3.658 6.780 640 HB3 TYR 83 2HB TYR 83 4.182 -3.186 7.687 641 HD1 TYR 83 1HD TYR 83 3.274 -5.773 8.760 642 HD2 TYR 83 2HD TYR 83 7.204 -4.185 8.398 643 HE1 TYR 83 1HE TYR 83 4.006 -7.170 10.647 644 HE2 TYR 83 2HE TYR 83 7.948 -5.579 10.283 645 HH TYR 83 HH TYR 83 5.810 -7.153 12.359 646 H PHE 84 H PHE 84 1.738 -3.680 5.410 647 HA PHE 84 HA PHE 84 2.964 -2.793 2.898 648 HB2 PHE 84 1HB PHE 84 0.093 -3.191 3.736 649 HB3 PHE 84 2HB PHE 84 0.536 -2.365 2.245 650 HD1 PHE 84 1HD PHE 84 1.669 -3.594 0.440 651 HD2 PHE 84 2HD PHE 84 0.239 -5.554 3.936 652 HE1 PHE 84 1HE PHE 84 1.828 -5.761 -0.714 653 HE2 PHE 84 2HE PHE 84 0.397 -7.725 2.788 654 HZ PHE 84 HZ PHE 84 1.193 -7.831 0.460 655 H ARG 85 H ARG 85 3.052 -0.676 2.301 656 HA ARG 85 HA ARG 85 1.708 1.360 3.863 657 HB2 ARG 85 1HB ARG 85 4.654 0.883 3.983 658 HB3 ARG 85 2HB ARG 85 4.068 2.540 4.018 659 HG2 ARG 85 1HG ARG 85 2.613 1.892 5.949 660 HG3 ARG 85 2HG ARG 85 3.449 0.338 5.968 661 HD2 ARG 85 1HD ARG 85 5.403 1.243 6.733 662 HD3 ARG 85 2HD ARG 85 5.097 2.809 5.982 663 HE ARG 85 HE ARG 85 3.214 2.711 7.898 664 HH11 ARG 85 1HH1 ARG 85 6.646 2.124 7.947 665 HH12 ARG 85 2HH1 ARG 85 6.843 2.645 9.588 666 HH21 ARG 85 1HH2 ARG 85 3.461 3.398 10.059 667 HH22 ARG 85 2HH2 ARG 85 5.031 3.368 10.789 668 H ILE 86 H ILE 86 0.754 2.405 2.233 669 HA ILE 86 HA ILE 86 2.393 3.124 -0.109 670 HB ILE 86 HB ILE 86 0.488 1.679 -0.668 671 HG12 ILE 86 1HG1 ILE 86 -0.040 4.488 -1.646 672 HG13 ILE 86 2HG1 ILE 86 1.322 3.520 -2.199 673 HG21 ILE 86 1HG2 ILE 86 -1.384 1.900 0.513 674 HG22 ILE 86 2HG2 ILE 86 -0.898 3.487 1.106 675 HG23 ILE 86 3HG2 ILE 86 -1.728 3.342 -0.442 676 HD11 ILE 86 3HD1 ILE 86 -0.215 3.125 -3.844 677 HD12 ILE 86 1HD1 ILE 86 -0.529 1.771 -2.760 678 HD13 ILE 86 2HD1 ILE 86 -1.583 3.185 -2.734 679 H GLN 87 H GLN 87 1.746 5.190 -1.171 680 HA GLN 87 HA GLN 87 0.572 7.166 0.626 681 HB2 GLN 87 1HB GLN 87 2.435 8.708 0.386 682 HB3 GLN 87 2HB GLN 87 2.992 7.200 1.099 683 HG2 GLN 87 1HG GLN 87 3.702 6.516 -1.227 684 HG3 GLN 87 2HG GLN 87 3.402 8.185 -1.706 685 HE21 GLN 87 1HE2 GLN 87 4.260 9.235 0.878 686 HE22 GLN 87 2HE2 GLN 87 5.984 9.126 0.889 687 H ALA 88 H ALA 88 0.672 9.414 -0.608 688 HA ALA 88 HA ALA 88 -0.155 8.895 -3.390 689 HB1 ALA 88 3HB ALA 88 -1.306 10.892 -1.446 690 HB2 ALA 88 1HB ALA 88 -1.758 10.748 -3.145 691 HB3 ALA 88 2HB ALA 88 -2.085 9.421 -2.029 692 H ARG 89 H ARG 89 0.564 10.258 -4.971 693 HA ARG 89 HA ARG 89 2.115 12.615 -4.200 694 HB2 ARG 89 1HB ARG 89 3.873 11.064 -4.378 695 HB3 ARG 89 2HB ARG 89 3.143 10.262 -5.763 696 HG2 ARG 89 1HG ARG 89 3.580 12.296 -7.109 697 HG3 ARG 89 2HG ARG 89 4.425 12.984 -5.721 698 HD2 ARG 89 1HD ARG 89 6.058 11.219 -5.775 699 HD3 ARG 89 2HD ARG 89 5.161 10.375 -7.037 700 HE ARG 89 HE ARG 89 5.727 12.852 -8.077 701 HH11 ARG 89 1HH1 ARG 89 7.567 10.184 -6.805 702 HH12 ARG 89 2HH1 ARG 89 8.950 10.492 -7.803 703 HH21 ARG 89 1HH2 ARG 89 7.541 13.268 -9.396 704 HH22 ARG 89 2HH2 ARG 89 8.934 12.247 -9.276 705 H ASN 90 H ASN 90 1.710 14.309 -5.476 706 HA ASN 90 HA ASN 90 0.415 13.801 -8.075 707 HB2 ASN 90 1HB ASN 90 -0.654 16.094 -7.693 708 HB3 ASN 90 2HB ASN 90 -1.255 14.764 -6.706 709 HD21 ASN 90 1HD2 ASN 90 -2.003 16.160 -5.120 710 HD22 ASN 90 2HD2 ASN 90 -0.935 16.981 -4.039 711 H SER 91 H SER 91 0.603 15.765 -9.564 712 HA SER 91 HA SER 91 3.161 16.152 -10.394 713 HB2 SER 91 1HB SER 91 2.369 18.175 -11.575 714 HB3 SER 91 2HB SER 91 1.226 16.841 -11.722 715 HG SER 91 HG SER 91 0.611 19.194 -10.975 716 H LYS 92 H LYS 92 1.635 17.615 -7.678 717 HA LYS 92 HA LYS 92 3.496 19.798 -7.429 718 HB2 LYS 92 1HB LYS 92 1.543 18.685 -5.406 719 HB3 LYS 92 2HB LYS 92 2.388 20.223 -5.289 720 HG2 LYS 92 1HG LYS 92 1.042 21.241 -6.811 721 HG3 LYS 92 2HG LYS 92 0.732 19.749 -7.701 722 HD2 LYS 92 1HD LYS 92 -1.304 19.996 -6.710 723 HD3 LYS 92 2HD LYS 92 -0.485 19.104 -5.426 724 HE2 LYS 92 1HE LYS 92 -0.640 22.111 -5.567 725 HE3 LYS 92 2HE LYS 92 -1.762 21.108 -4.651 726 HZ1 LYS 92 3HZ LYS 92 0.605 22.115 -3.744 727 HZ2 LYS 92 1HZ LYS 92 0.966 20.493 -4.064 728 HZ3 LYS 92 2HZ LYS 92 -0.298 20.886 -3.012 729 H GLY 93 H GLY 93 2.827 16.934 -5.396 730 HA2 GLY 93 1HA GLY 93 5.582 16.273 -5.126 731 HA3 GLY 93 2HA GLY 93 5.012 17.143 -3.709 732 H VAL 94 H VAL 94 5.455 15.245 -2.468 733 HA VAL 94 HA VAL 94 3.342 13.208 -2.732 734 HB VAL 94 HB VAL 94 5.494 12.245 -3.409 735 HG11 VAL 94 1HG1 VAL 94 6.511 13.812 -1.318 736 HG12 VAL 94 2HG1 VAL 94 6.772 12.133 -0.841 737 HG13 VAL 94 3HG1 VAL 94 7.403 12.722 -2.379 738 HG21 VAL 94 3HG2 VAL 94 5.176 10.933 -0.806 739 HG22 VAL 94 1HG2 VAL 94 3.671 11.168 -1.696 740 HG23 VAL 94 2HG2 VAL 94 5.004 10.280 -2.436 741 H GLY 95 H GLY 95 2.389 12.486 -0.850 742 HA2 GLY 95 1HA GLY 95 2.879 14.172 1.497 743 HA3 GLY 95 2HA GLY 95 1.441 13.206 1.201 744 HA PRO 96 HA PRO 96 4.021 10.994 4.343 745 HB2 PRO 96 1HB PRO 96 1.935 10.400 5.975 746 HB3 PRO 96 2HB PRO 96 2.826 11.923 6.070 747 HG2 PRO 96 1HG PRO 96 0.206 11.341 4.744 748 HG3 PRO 96 2HG PRO 96 0.671 12.733 5.738 749 HD2 PRO 96 1HD PRO 96 0.601 12.833 3.033 750 HD3 PRO 96 2HD PRO 96 1.760 13.775 3.994 751 H LEU 97 H LEU 97 2.883 8.825 5.555 752 HA LEU 97 HA LEU 97 2.034 7.142 3.290 753 HB2 LEU 97 1HB LEU 97 3.787 6.406 5.629 754 HB3 LEU 97 2HB LEU 97 3.205 5.277 4.407 755 HG LEU 97 HG LEU 97 4.751 7.624 3.457 756 HD11 LEU 97 1HD1 LEU 97 6.154 5.246 4.645 757 HD12 LEU 97 2HD1 LEU 97 5.927 6.760 5.519 758 HD13 LEU 97 3HD1 LEU 97 6.863 6.737 4.025 759 HD21 LEU 97 3HD2 LEU 97 4.990 6.364 1.629 760 HD22 LEU 97 1HD2 LEU 97 3.738 5.336 2.327 761 HD23 LEU 97 2HD2 LEU 97 5.439 4.936 2.562 762 H SER 98 H SER 98 1.274 4.883 4.406 763 HA SER 98 HA SER 98 -0.860 5.675 6.276 764 HB2 SER 98 1HB SER 98 -1.563 4.873 3.994 765 HB3 SER 98 2HB SER 98 -0.877 3.300 4.402 766 HG SER 98 HG SER 98 -3.268 3.910 4.849 767 H ASP 99 H ASP 99 -1.667 3.803 7.643 768 HA ASP 99 HA ASP 99 0.429 2.883 9.281 769 HB2 ASP 99 1HB ASP 99 -2.493 2.164 9.106 770 HB3 ASP 99 2HB ASP 99 -1.418 1.416 10.283 771 HA PRO 100 HA PRO 100 1.759 -0.766 7.209 772 HB2 PRO 100 1HB PRO 100 2.863 -2.067 9.321 773 HB3 PRO 100 2HB PRO 100 3.620 -0.666 8.554 774 HG2 PRO 100 1HG PRO 100 1.980 -0.801 11.055 775 HG3 PRO 100 2HG PRO 100 3.476 0.099 10.745 776 HD2 PRO 100 1HD PRO 100 1.034 1.268 10.692 777 HD3 PRO 100 2HD PRO 100 2.372 1.805 9.656 778 H ILE 101 H ILE 101 0.308 -2.213 6.524 779 HA ILE 101 HA ILE 101 -1.562 -3.441 8.374 780 HB ILE 101 HB ILE 101 -1.270 -3.855 5.396 781 HG12 ILE 101 1HG1 ILE 101 -3.232 -2.122 6.914 782 HG13 ILE 101 2HG1 ILE 101 -1.826 -1.518 6.043 783 HG21 ILE 101 1HG2 ILE 101 -3.449 -4.867 5.483 784 HG22 ILE 101 2HG2 ILE 101 -2.392 -5.691 6.628 785 HG23 ILE 101 3HG2 ILE 101 -3.582 -4.527 7.209 786 HD11 ILE 101 3HD1 ILE 101 -4.242 -2.881 4.888 787 HD12 ILE 101 1HD1 ILE 101 -3.746 -1.201 4.677 788 HD13 ILE 101 2HD1 ILE 101 -2.787 -2.500 3.967 789 H LEU 102 H LEU 102 -1.482 -5.482 9.115 790 HA LEU 102 HA LEU 102 0.879 -7.066 8.438 791 HB2 LEU 102 1HB LEU 102 -1.007 -6.959 10.735 792 HB3 LEU 102 2HB LEU 102 -0.178 -8.479 10.406 793 HG LEU 102 HG LEU 102 1.979 -7.380 10.686 794 HD11 LEU 102 1HD1 LEU 102 2.190 -5.097 11.350 795 HD12 LEU 102 2HD1 LEU 102 0.440 -4.904 11.442 796 HD13 LEU 102 3HD1 LEU 102 1.219 -5.146 9.878 797 HD21 LEU 102 3HD2 LEU 102 -0.073 -7.448 12.795 798 HD22 LEU 102 1HD2 LEU 102 1.362 -6.490 13.160 799 HD23 LEU 102 2HD2 LEU 102 1.524 -8.194 12.736 800 H PHE 103 H PHE 103 0.481 -8.189 6.606 801 HA PHE 103 HA PHE 103 -1.874 -9.960 6.618 802 HB2 PHE 103 1HB PHE 103 -2.355 -8.469 4.880 803 HB3 PHE 103 2HB PHE 103 -0.669 -8.356 4.383 804 HD1 PHE 103 1HD PHE 103 -3.700 -10.429 4.278 805 HD2 PHE 103 2HD PHE 103 0.283 -9.927 2.864 806 HE1 PHE 103 1HE PHE 103 -4.102 -12.134 2.550 807 HE2 PHE 103 2HE PHE 103 -0.113 -11.630 1.133 808 HZ PHE 103 HZ PHE 103 -2.308 -12.735 0.974 809 H ARG 104 H ARG 104 -1.190 -11.957 7.018 810 HA ARG 104 HA ARG 104 1.476 -12.818 6.366 811 HB2 ARG 104 1HB ARG 104 -0.065 -13.511 8.374 812 HB3 ARG 104 2HB ARG 104 -0.688 -14.697 7.234 813 HG2 ARG 104 1HG ARG 104 1.269 -15.882 7.181 814 HG3 ARG 104 2HG ARG 104 2.256 -14.480 7.601 815 HD2 ARG 104 1HD ARG 104 1.827 -14.685 9.852 816 HD3 ARG 104 2HD ARG 104 0.296 -15.519 9.591 817 HE ARG 104 HE ARG 104 2.475 -17.099 8.698 818 HH11 ARG 104 1HH1 ARG 104 0.843 -16.027 11.580 819 HH12 ARG 104 2HH1 ARG 104 1.307 -17.410 12.514 820 HH21 ARG 104 1HH2 ARG 104 3.092 -18.925 9.918 821 HH22 ARG 104 2HH2 ARG 104 2.587 -19.057 11.568 822 H THR 105 H THR 105 2.117 -13.744 4.541 823 HA THR 105 HA THR 105 0.392 -14.136 2.346 824 HB THR 105 HB THR 105 2.375 -15.346 1.326 825 HG1 THR 105 1HG THR 105 4.345 -14.793 2.730 826 HG21 THR 105 3HG2 THR 105 2.170 -12.562 2.181 827 HG22 THR 105 1HG2 THR 105 2.598 -13.232 0.607 828 HG23 THR 105 2HG2 THR 105 3.828 -13.070 1.861 829 H LEU 106 H LEU 106 0.132 -16.194 1.150 830 HA LEU 106 HA LEU 106 -1.078 -18.157 2.776 831 HB2 LEU 106 1HB LEU 106 -0.497 -17.824 -0.106 832 HB3 LEU 106 2HB LEU 106 -0.797 -19.466 0.458 833 HG LEU 106 HG LEU 106 -2.688 -17.129 0.721 834 HD11 LEU 106 1HD1 LEU 106 -2.403 -19.347 -1.237 835 HD12 LEU 106 2HD1 LEU 106 -2.901 -17.673 -1.485 836 HD13 LEU 106 3HD1 LEU 106 -4.027 -18.833 -0.779 837 HD21 LEU 106 3HD2 LEU 106 -3.957 -19.616 1.136 838 HD22 LEU 106 1HD2 LEU 106 -3.727 -18.302 2.289 839 HD23 LEU 106 2HD2 LEU 106 -2.523 -19.584 2.164 840 H LYS 107 H LYS 107 -0.498 -20.578 2.355 841 HA LYS 107 HA LYS 107 2.411 -20.952 2.543 842 HB2 LYS 107 1HB LYS 107 0.418 -22.348 4.333 843 HB3 LYS 107 2HB LYS 107 2.172 -22.449 4.415 844 HG2 LYS 107 1HG LYS 107 1.703 -20.997 6.130 845 HG3 LYS 107 2HG LYS 107 2.035 -19.882 4.802 846 HD2 LYS 107 1HD LYS 107 -0.165 -19.268 4.588 847 HD3 LYS 107 2HD LYS 107 -0.767 -20.803 5.218 848 HE2 LYS 107 1HE LYS 107 -0.049 -20.160 7.465 849 HE3 LYS 107 2HE LYS 107 0.564 -18.631 6.836 850 HZ1 LYS 107 3HZ LYS 107 -1.826 -18.838 7.883 851 HZ2 LYS 107 1HZ LYS 107 -2.233 -19.294 6.305 852 HZ3 LYS 107 2HZ LYS 107 -1.515 -17.790 6.593 853 H VAL 108 H VAL 108 3.075 -22.360 1.073 854 HA VAL 108 HA VAL 108 1.201 -24.056 -0.313 855 HB VAL 108 HB VAL 108 3.152 -24.765 -1.650 856 HG11 VAL 108 1HG1 VAL 108 2.107 -22.092 -1.407 857 HG12 VAL 108 2HG1 VAL 108 3.766 -22.065 -2.009 858 HG13 VAL 108 3HG1 VAL 108 2.534 -23.002 -2.855 859 HG21 VAL 108 3HG2 VAL 108 4.742 -24.483 0.341 860 HG22 VAL 108 1HG2 VAL 108 5.334 -24.017 -1.254 861 HG23 VAL 108 2HG2 VAL 108 4.801 -22.781 -0.114 862 H SER 109 H SER 109 1.151 -24.831 2.281 863 HA SER 109 HA SER 109 2.846 -26.649 3.333 864 HB2 SER 109 1HB SER 109 0.811 -26.104 4.490 865 HB3 SER 109 2HB SER 109 -0.171 -26.810 3.207 866 HG SER 109 HG SER 109 0.569 -28.837 3.788 867 H GLY 110 H GLY 110 0.342 -27.433 0.920 868 HA2 GLY 110 1HA GLY 110 2.040 -29.414 -0.292 869 HA3 GLY 110 2HA GLY 110 0.706 -30.116 0.611 870 HA PRO 111 HA PRO 111 -0.666 -29.235 -3.758 871 HB2 PRO 111 1HB PRO 111 -1.613 -31.733 -4.238 872 HB3 PRO 111 2HB PRO 111 0.069 -31.271 -4.528 873 HG2 PRO 111 1HG PRO 111 -1.121 -32.728 -2.199 874 HG3 PRO 111 2HG PRO 111 0.384 -33.060 -3.075 875 HD2 PRO 111 1HD PRO 111 0.338 -31.768 -0.696 876 HD3 PRO 111 2HD PRO 111 1.550 -31.422 -1.947 877 H SER 112 H SER 112 -2.801 -29.004 -4.485 878 HA SER 112 HA SER 112 -4.816 -29.224 -2.362 879 HB2 SER 112 1HB SER 112 -6.067 -27.525 -3.571 880 HB3 SER 112 2HB SER 112 -4.408 -26.974 -3.343 881 HG SER 112 HG SER 112 -5.374 -28.227 -5.699 882 H SER 113 H SER 113 -6.065 -30.960 -2.467 883 HA SER 113 HA SER 113 -6.281 -32.802 -4.463 884 HB2 SER 113 1HB SER 113 -7.336 -32.686 -2.039 885 HB3 SER 113 2HB SER 113 -8.768 -32.170 -2.929 886 HG SER 113 HG SER 113 -7.301 -34.571 -3.305 887 H GLY 114 H GLY 114 -8.560 -30.106 -3.937 888 HA2 GLY 114 1HA GLY 114 -10.071 -29.111 -5.356 889 HA3 GLY 114 2HA GLY 114 -8.814 -29.312 -6.567 Start of MODEL 11 1 H1 GLY 1 H GLY 1 11.586 25.780 5.532 2 HA2 GLY 1 1HA GLY 1 11.223 24.011 3.971 3 HA3 GLY 1 2HA GLY 1 10.175 23.231 5.146 4 H SER 2 H SER 2 10.159 26.582 3.981 5 HA SER 2 HA SER 2 7.312 26.389 3.488 6 HB2 SER 2 1HB SER 2 8.596 28.400 4.518 7 HB3 SER 2 2HB SER 2 8.992 28.799 2.847 8 HG SER 2 HG SER 2 6.506 28.417 2.679 9 H SER 3 H SER 3 8.730 24.708 1.803 10 HA SER 3 HA SER 3 9.451 25.741 -0.682 11 HB2 SER 3 1HB SER 3 9.089 23.477 -1.550 12 HB3 SER 3 2HB SER 3 9.901 23.418 0.014 13 HG SER 3 HG SER 3 7.333 22.618 -0.696 14 H GLY 4 H GLY 4 8.262 25.450 -2.754 15 HA2 GLY 4 1HA GLY 4 5.629 26.641 -2.503 16 HA3 GLY 4 2HA GLY 4 6.533 26.409 -3.991 17 H SER 5 H SER 5 6.954 23.805 -4.212 18 HA SER 5 HA SER 5 4.387 22.784 -4.886 19 HB2 SER 5 1HB SER 5 7.106 21.455 -4.850 20 HB3 SER 5 2HB SER 5 5.649 20.724 -5.523 21 HG SER 5 HG SER 5 5.658 22.152 -7.147 22 H SER 6 H SER 6 3.114 22.524 -3.089 23 HA SER 6 HA SER 6 4.099 20.771 -0.953 24 HB2 SER 6 1HB SER 6 1.993 22.882 -1.112 25 HB3 SER 6 2HB SER 6 1.776 21.575 0.052 26 HG SER 6 HG SER 6 4.109 22.164 0.589 27 H GLY 7 H GLY 7 3.740 18.687 -1.395 28 HA2 GLY 7 1HA GLY 7 1.601 17.774 -3.048 29 HA3 GLY 7 2HA GLY 7 2.689 16.765 -2.107 30 HA PRO 8 HA PRO 8 -1.526 16.405 -0.240 31 HB2 PRO 8 1HB PRO 8 -1.401 13.713 0.081 32 HB3 PRO 8 2HB PRO 8 -1.942 14.477 -1.418 33 HG2 PRO 8 1HG PRO 8 0.737 13.328 -0.737 34 HG3 PRO 8 2HG PRO 8 -0.200 13.171 -2.234 35 HD2 PRO 8 1HD PRO 8 1.866 14.904 -1.984 36 HD3 PRO 8 2HD PRO 8 0.458 15.239 -3.011 37 H THR 9 H THR 9 -1.977 16.286 1.915 38 HA THR 9 HA THR 9 0.296 15.724 3.697 39 HB THR 9 HB THR 9 -1.036 17.045 5.395 40 HG1 THR 9 1HG THR 9 -2.572 18.530 4.217 41 HG21 THR 9 3HG2 THR 9 -0.022 18.309 2.860 42 HG22 THR 9 1HG2 THR 9 0.804 18.146 4.408 43 HG23 THR 9 2HG2 THR 9 -0.548 19.266 4.245 44 H SER 10 H SER 10 -1.680 13.783 2.537 45 HA SER 10 HA SER 10 -2.198 12.356 4.992 46 HB2 SER 10 1HB SER 10 -4.209 13.848 4.669 47 HB3 SER 10 2HB SER 10 -4.541 12.966 3.179 48 HG SER 10 HG SER 10 -5.512 11.575 4.403 49 H ALA 11 H ALA 11 -2.262 10.170 4.699 50 HA ALA 11 HA ALA 11 -1.437 9.187 2.118 51 HB1 ALA 11 3HB ALA 11 -0.336 7.833 3.502 52 HB2 ALA 11 1HB ALA 11 -1.384 8.242 4.860 53 HB3 ALA 11 2HB ALA 11 -1.862 6.979 3.726 54 HA PRO 12 HA PRO 12 -5.200 7.552 0.561 55 HB2 PRO 12 1HB PRO 12 -4.550 5.038 -0.229 56 HB3 PRO 12 2HB PRO 12 -3.992 6.485 -1.076 57 HG2 PRO 12 1HG PRO 12 -2.546 4.782 0.917 58 HG3 PRO 12 2HG PRO 12 -1.949 5.483 -0.599 59 HD2 PRO 12 1HD PRO 12 -1.423 6.580 1.820 60 HD3 PRO 12 2HD PRO 12 -1.605 7.556 0.348 61 H LYS 13 H LYS 13 -6.814 5.754 0.723 62 HA LYS 13 HA LYS 13 -6.695 4.401 3.334 63 HB2 LYS 13 1HB LYS 13 -9.217 4.795 3.427 64 HB3 LYS 13 2HB LYS 13 -8.181 6.182 3.738 65 HG2 LYS 13 1HG LYS 13 -8.525 6.952 1.443 66 HG3 LYS 13 2HG LYS 13 -9.571 5.563 1.138 67 HD2 LYS 13 1HD LYS 13 -11.091 7.245 1.627 68 HD3 LYS 13 2HD LYS 13 -10.906 6.432 3.183 69 HE2 LYS 13 1HE LYS 13 -8.973 8.228 3.459 70 HE3 LYS 13 2HE LYS 13 -9.973 9.114 2.308 71 HZ1 LYS 13 3HZ LYS 13 -10.530 8.389 5.081 72 HZ2 LYS 13 1HZ LYS 13 -11.837 8.385 4.007 73 HZ3 LYS 13 2HZ LYS 13 -10.929 9.795 4.229 74 H ASP 14 H ASP 14 -8.875 2.898 3.337 75 HA ASP 14 HA ASP 14 -9.689 0.899 2.612 76 HB2 ASP 14 1HB ASP 14 -10.628 2.607 0.906 77 HB3 ASP 14 2HB ASP 14 -9.443 1.923 -0.204 78 H LEU 15 H LEU 15 -6.780 1.248 2.803 79 HA LEU 15 HA LEU 15 -5.566 -0.187 0.650 80 HB2 LEU 15 1HB LEU 15 -4.295 1.391 1.987 81 HB3 LEU 15 2HB LEU 15 -4.577 0.423 3.432 82 HG LEU 15 HG LEU 15 -3.264 -1.417 2.348 83 HD11 LEU 15 1HD1 LEU 15 -2.910 -1.230 0.159 84 HD12 LEU 15 2HD1 LEU 15 -1.678 -0.035 0.562 85 HD13 LEU 15 3HD1 LEU 15 -3.313 0.487 0.158 86 HD21 LEU 15 3HD2 LEU 15 -2.429 0.742 3.798 87 HD22 LEU 15 1HD2 LEU 15 -1.348 0.792 2.406 88 HD23 LEU 15 2HD2 LEU 15 -1.438 -0.662 3.401 89 H THR 16 H THR 16 -6.045 -2.251 0.285 90 HA THR 16 HA THR 16 -6.022 -4.106 2.571 91 HB THR 16 HB THR 16 -7.879 -4.326 0.194 92 HG1 THR 16 1HG THR 16 -8.201 -2.670 2.054 93 HG21 THR 16 3HG2 THR 16 -7.161 -6.107 2.428 94 HG22 THR 16 1HG2 THR 16 -7.813 -6.492 0.836 95 HG23 THR 16 2HG2 THR 16 -8.889 -5.940 2.120 96 H VAL 17 H VAL 17 -5.270 -6.218 2.137 97 HA VAL 17 HA VAL 17 -3.911 -6.564 -0.452 98 HB VAL 17 HB VAL 17 -2.760 -7.302 2.243 99 HG11 VAL 17 1HG1 VAL 17 -2.172 -8.869 0.439 100 HG12 VAL 17 2HG1 VAL 17 -1.544 -7.520 -0.509 101 HG13 VAL 17 3HG1 VAL 17 -0.776 -7.960 1.016 102 HG21 VAL 17 3HG2 VAL 17 -0.979 -5.598 1.152 103 HG22 VAL 17 1HG2 VAL 17 -2.482 -4.932 0.513 104 HG23 VAL 17 2HG2 VAL 17 -2.261 -5.099 2.255 105 H ILE 18 H ILE 18 -4.800 -8.245 -1.441 106 HA ILE 18 HA ILE 18 -5.589 -10.576 0.182 107 HB ILE 18 HB ILE 18 -7.247 -11.105 -1.560 108 HG12 ILE 18 1HG1 ILE 18 -6.820 -8.357 -2.699 109 HG13 ILE 18 2HG1 ILE 18 -5.912 -9.733 -3.314 110 HG21 ILE 18 1HG2 ILE 18 -8.859 -9.766 -0.663 111 HG22 ILE 18 2HG2 ILE 18 -7.559 -9.456 0.486 112 HG23 ILE 18 3HG2 ILE 18 -7.883 -8.304 -0.810 113 HD11 ILE 18 3HD1 ILE 18 -7.953 -9.170 -4.612 114 HD12 ILE 18 1HD1 ILE 18 -7.910 -10.826 -4.010 115 HD13 ILE 18 2HD1 ILE 18 -8.913 -9.621 -3.203 116 H THR 19 H THR 19 -5.105 -12.629 -0.584 117 HA THR 19 HA THR 19 -2.781 -12.784 -2.272 118 HB THR 19 HB THR 19 -2.958 -14.245 -0.322 119 HG1 THR 19 1HG THR 19 -2.723 -15.260 -2.911 120 HG21 THR 19 3HG2 THR 19 -4.610 -15.858 -0.014 121 HG22 THR 19 1HG2 THR 19 -5.097 -15.824 -1.708 122 HG23 THR 19 2HG2 THR 19 -5.517 -14.483 -0.643 123 H ARG 20 H ARG 20 -2.812 -12.960 -4.407 124 HA ARG 20 HA ARG 20 -5.068 -13.096 -5.993 125 HB2 ARG 20 1HB ARG 20 -2.765 -12.430 -6.728 126 HB3 ARG 20 2HB ARG 20 -2.338 -14.135 -6.765 127 HG2 ARG 20 1HG ARG 20 -3.550 -14.544 -8.648 128 HG3 ARG 20 2HG ARG 20 -4.722 -13.271 -8.303 129 HD2 ARG 20 1HD ARG 20 -3.161 -11.574 -8.965 130 HD3 ARG 20 2HD ARG 20 -1.869 -12.762 -9.125 131 HE ARG 20 HE ARG 20 -3.966 -12.203 -11.023 132 HH11 ARG 20 1HH1 ARG 20 -1.589 -14.505 -9.939 133 HH12 ARG 20 2HH1 ARG 20 -1.498 -15.325 -11.462 134 HH21 ARG 20 1HH2 ARG 20 -3.854 -13.274 -13.034 135 HH22 ARG 20 2HH2 ARG 20 -2.786 -14.623 -13.222 136 H GLU 21 H GLU 21 -6.554 -14.653 -5.961 137 HA GLU 21 HA GLU 21 -6.370 -17.214 -5.048 138 HB2 GLU 21 1HB GLU 21 -8.543 -16.685 -5.511 139 HB3 GLU 21 2HB GLU 21 -8.135 -15.853 -7.005 140 HG2 GLU 21 1HG GLU 21 -8.246 -17.748 -8.261 141 HG3 GLU 21 2HG GLU 21 -7.793 -18.797 -6.919 142 H GLY 22 H GLY 22 -5.432 -16.012 -8.215 143 HA2 GLY 22 1HA GLY 22 -5.007 -18.587 -9.380 144 HA3 GLY 22 2HA GLY 22 -4.435 -17.052 -10.014 145 H LYS 23 H LYS 23 -3.050 -16.421 -7.470 146 HA LYS 23 HA LYS 23 -1.000 -18.469 -7.274 147 HB2 LYS 23 1HB LYS 23 -0.280 -15.657 -8.115 148 HB3 LYS 23 2HB LYS 23 0.833 -16.994 -7.857 149 HG2 LYS 23 1HG LYS 23 0.044 -18.138 -9.776 150 HG3 LYS 23 2HG LYS 23 -1.327 -17.040 -9.947 151 HD2 LYS 23 1HD LYS 23 0.162 -16.272 -11.557 152 HD3 LYS 23 2HD LYS 23 0.474 -15.201 -10.188 153 HE2 LYS 23 1HE LYS 23 2.509 -16.162 -9.729 154 HE3 LYS 23 2HE LYS 23 2.059 -17.712 -10.438 155 HZ1 LYS 23 3HZ LYS 23 2.004 -16.244 -12.607 156 HZ2 LYS 23 1HZ LYS 23 3.440 -16.941 -12.045 157 HZ3 LYS 23 2HZ LYS 23 3.111 -15.312 -11.731 158 HA PRO 24 HA PRO 24 -1.271 -16.970 -3.108 159 HB2 PRO 24 1HB PRO 24 0.712 -18.519 -2.087 160 HB3 PRO 24 2HB PRO 24 -0.895 -19.146 -2.473 161 HG2 PRO 24 1HG PRO 24 1.636 -19.311 -4.063 162 HG3 PRO 24 2HG PRO 24 0.417 -20.564 -3.768 163 HD2 PRO 24 1HD PRO 24 0.526 -19.152 -6.076 164 HD3 PRO 24 2HD PRO 24 -1.001 -19.744 -5.390 165 H ARG 25 H ARG 25 1.907 -17.332 -4.670 166 HA ARG 25 HA ARG 25 3.307 -15.604 -2.942 167 HB2 ARG 25 1HB ARG 25 3.929 -16.185 -5.842 168 HB3 ARG 25 2HB ARG 25 5.053 -15.605 -4.620 169 HG2 ARG 25 1HG ARG 25 4.535 -17.768 -3.367 170 HG3 ARG 25 2HG ARG 25 3.810 -18.318 -4.879 171 HD2 ARG 25 1HD ARG 25 5.818 -18.426 -5.963 172 HD3 ARG 25 2HD ARG 25 6.534 -17.142 -4.990 173 HE ARG 25 HE ARG 25 6.244 -19.137 -3.206 174 HH11 ARG 25 1HH1 ARG 25 7.636 -19.009 -6.394 175 HH12 ARG 25 2HH1 ARG 25 8.797 -20.256 -6.079 176 HH21 ARG 25 1HH2 ARG 25 7.767 -20.780 -2.779 177 HH22 ARG 25 2HH2 ARG 25 8.870 -21.263 -4.023 178 H ALA 26 H ALA 26 0.949 -14.949 -5.259 179 HA ALA 26 HA ALA 26 1.866 -12.171 -5.579 180 HB1 ALA 26 3HB ALA 26 1.559 -13.104 -7.713 181 HB2 ALA 26 1HB ALA 26 0.046 -13.883 -7.247 182 HB3 ALA 26 2HB ALA 26 0.117 -12.129 -7.427 183 H VAL 27 H VAL 27 0.485 -10.458 -5.125 184 HA VAL 27 HA VAL 27 -2.106 -11.076 -3.908 185 HB VAL 27 HB VAL 27 -1.630 -9.478 -2.050 186 HG11 VAL 27 1HG1 VAL 27 -0.643 -12.169 -2.381 187 HG12 VAL 27 2HG1 VAL 27 0.335 -11.269 -1.221 188 HG13 VAL 27 3HG1 VAL 27 -1.406 -11.416 -0.982 189 HG21 VAL 27 3HG2 VAL 27 0.901 -9.276 -3.499 190 HG22 VAL 27 1HG2 VAL 27 0.154 -8.158 -2.356 191 HG23 VAL 27 2HG2 VAL 27 1.092 -9.529 -1.764 192 H ILE 28 H ILE 28 -3.534 -9.247 -3.761 193 HA ILE 28 HA ILE 28 -2.871 -7.155 -5.726 194 HB ILE 28 HB ILE 28 -5.657 -7.904 -4.866 195 HG12 ILE 28 1HG1 ILE 28 -4.357 -9.855 -5.853 196 HG13 ILE 28 2HG1 ILE 28 -5.845 -9.417 -6.686 197 HG21 ILE 28 1HG2 ILE 28 -6.258 -6.226 -6.185 198 HG22 ILE 28 2HG2 ILE 28 -4.560 -5.869 -6.495 199 HG23 ILE 28 3HG2 ILE 28 -5.433 -6.982 -7.548 200 HD11 ILE 28 3HD1 ILE 28 -3.423 -8.099 -7.688 201 HD12 ILE 28 1HD1 ILE 28 -3.481 -9.848 -7.906 202 HD13 ILE 28 2HD1 ILE 28 -4.767 -8.834 -8.561 203 H VAL 29 H VAL 29 -2.078 -5.498 -4.542 204 HA VAL 29 HA VAL 29 -3.353 -4.718 -2.050 205 HB VAL 29 HB VAL 29 -0.994 -3.505 -3.497 206 HG11 VAL 29 1HG1 VAL 29 -1.207 -1.776 -2.121 207 HG12 VAL 29 2HG1 VAL 29 -2.590 -2.530 -1.325 208 HG13 VAL 29 3HG1 VAL 29 -0.953 -2.869 -0.761 209 HG21 VAL 29 3HG2 VAL 29 -0.010 -4.573 -1.212 210 HG22 VAL 29 1HG2 VAL 29 -1.288 -5.727 -1.595 211 HG23 VAL 29 2HG2 VAL 29 -0.015 -5.399 -2.771 212 H SER 30 H SER 30 -5.224 -3.657 -2.293 213 HA SER 30 HA SER 30 -5.466 -1.644 -4.408 214 HB2 SER 30 1HB SER 30 -7.855 -1.738 -4.027 215 HB3 SER 30 2HB SER 30 -7.244 -3.386 -4.171 216 HG SER 30 HG SER 30 -7.558 -3.710 -2.060 217 H TRP 31 H TRP 31 -6.860 0.309 -3.731 218 HA TRP 31 HA TRP 31 -6.843 1.229 -1.073 219 HB2 TRP 31 1HB TRP 31 -5.065 2.903 -1.170 220 HB3 TRP 31 2HB TRP 31 -4.402 1.288 -1.408 221 HD1 TRP 31 HD TRP 31 -5.138 4.529 -3.334 222 HE1 TRP 31 1HE TRP 31 -3.724 4.537 -5.484 223 HE3 TRP 31 3HE TRP 31 -3.219 -0.201 -3.060 224 HZ2 TRP 31 2HZ TRP 31 -2.020 2.772 -6.880 225 HZ3 TRP 31 3HZ TRP 31 -1.705 -0.965 -4.843 226 HH2 TRP 31 HH TRP 31 -1.119 0.492 -6.713 227 H GLN 32 H GLN 32 -7.087 3.754 -1.066 228 HA GLN 32 HA GLN 32 -8.573 4.581 -3.466 229 HB2 GLN 32 1HB GLN 32 -9.491 4.458 -0.641 230 HB3 GLN 32 2HB GLN 32 -10.005 5.843 -1.595 231 HG2 GLN 32 1HG GLN 32 -11.437 3.645 -1.476 232 HG3 GLN 32 2HG GLN 32 -11.330 4.598 -2.955 233 HE21 GLN 32 1HE2 GLN 32 -10.698 3.612 -4.748 234 HE22 GLN 32 2HE2 GLN 32 -9.983 2.042 -4.834 235 HA PRO 33 HA PRO 33 -6.421 8.397 -3.258 236 HB2 PRO 33 1HB PRO 33 -8.321 10.174 -4.034 237 HB3 PRO 33 2HB PRO 33 -7.563 9.031 -5.148 238 HG2 PRO 33 1HG PRO 33 -10.212 8.854 -3.766 239 HG3 PRO 33 2HG PRO 33 -9.798 8.465 -5.446 240 HD2 PRO 33 1HD PRO 33 -10.077 6.565 -3.536 241 HD3 PRO 33 2HD PRO 33 -8.937 6.401 -4.888 242 HA PRO 34 HA PRO 34 -7.233 10.035 0.787 243 HB2 PRO 34 1HB PRO 34 -5.342 11.982 0.743 244 HB3 PRO 34 2HB PRO 34 -4.955 10.272 0.971 245 HG2 PRO 34 1HG PRO 34 -4.797 11.936 -1.513 246 HG3 PRO 34 2HG PRO 34 -3.644 10.740 -0.891 247 HD2 PRO 34 1HD PRO 34 -5.399 10.177 -2.875 248 HD3 PRO 34 2HD PRO 34 -4.862 8.959 -1.701 249 H LEU 35 H LEU 35 -8.085 11.918 1.766 250 HA LEU 35 HA LEU 35 -9.705 13.511 0.017 251 HB2 LEU 35 1HB LEU 35 -9.330 13.323 2.977 252 HB3 LEU 35 2HB LEU 35 -10.218 14.679 2.285 253 HG LEU 35 HG LEU 35 -11.742 12.955 3.055 254 HD11 LEU 35 1HD1 LEU 35 -12.341 12.375 0.366 255 HD12 LEU 35 2HD1 LEU 35 -11.621 13.984 0.393 256 HD13 LEU 35 3HD1 LEU 35 -13.034 13.633 1.389 257 HD21 LEU 35 3HD2 LEU 35 -10.452 11.122 1.040 258 HD22 LEU 35 1HD2 LEU 35 -11.762 10.737 2.155 259 HD23 LEU 35 2HD2 LEU 35 -10.143 11.063 2.776 260 H GLU 36 H GLU 36 -6.935 14.120 2.143 261 HA GLU 36 HA GLU 36 -6.818 16.908 1.398 262 HB2 GLU 36 1HB GLU 36 -4.815 15.265 2.955 263 HB3 GLU 36 2HB GLU 36 -4.875 17.020 2.856 264 HG2 GLU 36 1HG GLU 36 -7.184 16.855 3.887 265 HG3 GLU 36 2HG GLU 36 -6.795 15.171 4.231 266 H ALA 37 H ALA 37 -6.664 15.225 -0.832 267 HA ALA 37 HA ALA 37 -4.010 14.722 -1.675 268 HB1 ALA 37 3HB ALA 37 -5.555 13.509 -2.874 269 HB2 ALA 37 1HB ALA 37 -6.658 14.874 -3.042 270 HB3 ALA 37 2HB ALA 37 -5.183 14.808 -4.007 271 H ASN 38 H ASN 38 -5.545 17.610 -1.121 272 HA ASN 38 HA ASN 38 -5.297 19.763 -1.885 273 HB2 ASN 38 1HB ASN 38 -2.503 18.655 -1.703 274 HB3 ASN 38 2HB ASN 38 -2.794 20.341 -2.117 275 HD21 ASN 38 1HD2 ASN 38 -2.111 18.322 0.348 276 HD22 ASN 38 2HD2 ASN 38 -2.725 19.246 1.672 277 H GLY 39 H GLY 39 -6.096 18.115 -3.982 278 HA2 GLY 39 1HA GLY 39 -6.115 19.399 -6.226 279 HA3 GLY 39 2HA GLY 39 -4.417 18.946 -6.251 280 H LYS 40 H LYS 40 -4.429 17.608 -7.996 281 HA LYS 40 HA LYS 40 -6.103 15.191 -7.773 282 HB2 LYS 40 1HB LYS 40 -6.877 16.489 -9.649 283 HB3 LYS 40 2HB LYS 40 -5.236 16.686 -10.251 284 HG2 LYS 40 1HG LYS 40 -5.260 14.085 -10.368 285 HG3 LYS 40 2HG LYS 40 -7.013 14.293 -10.342 286 HD2 LYS 40 1HD LYS 40 -6.773 15.868 -12.269 287 HD3 LYS 40 2HD LYS 40 -5.064 15.433 -12.342 288 HE2 LYS 40 1HE LYS 40 -5.551 13.207 -12.931 289 HE3 LYS 40 2HE LYS 40 -7.242 13.367 -12.461 290 HZ1 LYS 40 3HZ LYS 40 -7.749 14.016 -14.502 291 HZ2 LYS 40 1HZ LYS 40 -6.152 13.727 -14.981 292 HZ3 LYS 40 2HZ LYS 40 -6.611 15.267 -14.453 293 H ILE 41 H ILE 41 -4.838 13.572 -7.134 294 HA ILE 41 HA ILE 41 -2.110 13.395 -7.165 295 HB ILE 41 HB ILE 41 -3.932 11.026 -7.585 296 HG12 ILE 41 1HG1 ILE 41 -4.814 12.279 -5.734 297 HG13 ILE 41 2HG1 ILE 41 -3.933 10.905 -5.077 298 HG21 ILE 41 1HG2 ILE 41 -1.529 10.582 -7.831 299 HG22 ILE 41 2HG2 ILE 41 -1.252 11.247 -6.222 300 HG23 ILE 41 3HG2 ILE 41 -2.209 9.778 -6.416 301 HD11 ILE 41 3HD1 ILE 41 -3.371 13.791 -4.882 302 HD12 ILE 41 1HD1 ILE 41 -3.112 12.497 -3.713 303 HD13 ILE 41 2HD1 ILE 41 -1.978 12.721 -5.046 304 H THR 42 H THR 42 -0.567 12.374 -8.491 305 HA THR 42 HA THR 42 -1.393 12.022 -11.299 306 HB THR 42 HB THR 42 0.888 12.830 -11.940 307 HG1 THR 42 1HG THR 42 1.708 12.498 -9.698 308 HG21 THR 42 3HG2 THR 42 -0.466 14.989 -10.368 309 HG22 THR 42 1HG2 THR 42 -1.278 14.255 -11.750 310 HG23 THR 42 2HG2 THR 42 0.272 15.068 -11.968 311 H ALA 43 H ALA 43 0.323 10.787 -8.590 312 HA ALA 43 HA ALA 43 0.777 8.288 -9.963 313 HB1 ALA 43 3HB ALA 43 3.168 9.669 -8.764 314 HB2 ALA 43 1HB ALA 43 3.132 8.166 -9.686 315 HB3 ALA 43 2HB ALA 43 2.791 9.700 -10.486 316 H TYR 44 H TYR 44 1.340 6.557 -8.521 317 HA TYR 44 HA TYR 44 0.902 7.188 -5.678 318 HB2 TYR 44 1HB TYR 44 -0.314 4.993 -7.345 319 HB3 TYR 44 2HB TYR 44 -0.235 4.889 -5.590 320 HD1 TYR 44 2HD TYR 44 -1.051 7.246 -4.448 321 HD2 TYR 44 1HD TYR 44 -2.341 5.675 -8.186 322 HE1 TYR 44 2HE TYR 44 -3.127 8.553 -4.274 323 HE2 TYR 44 1HE TYR 44 -4.420 6.978 -8.022 324 HH TYR 44 HH TYR 44 -5.630 8.186 -5.375 325 H ILE 45 H ILE 45 2.515 6.558 -4.419 326 HA ILE 45 HA ILE 45 4.352 4.486 -5.415 327 HB ILE 45 HB ILE 45 4.918 6.474 -3.220 328 HG12 ILE 45 1HG1 ILE 45 6.372 7.502 -5.139 329 HG13 ILE 45 2HG1 ILE 45 5.222 6.691 -6.196 330 HG21 ILE 45 1HG2 ILE 45 6.285 4.420 -3.276 331 HG22 ILE 45 2HG2 ILE 45 6.773 4.817 -4.923 332 HG23 ILE 45 3HG2 ILE 45 7.230 5.876 -3.588 333 HD11 ILE 45 3HD1 ILE 45 4.269 8.487 -4.008 334 HD12 ILE 45 1HD1 ILE 45 4.817 9.146 -5.550 335 HD13 ILE 45 2HD1 ILE 45 3.460 8.019 -5.503 336 H LEU 46 H LEU 46 4.004 2.549 -4.564 337 HA LEU 46 HA LEU 46 2.940 2.348 -1.837 338 HB2 LEU 46 1HB LEU 46 1.592 1.123 -3.298 339 HB3 LEU 46 2HB LEU 46 2.976 0.492 -4.189 340 HG LEU 46 HG LEU 46 3.460 -0.670 -1.844 341 HD11 LEU 46 1HD1 LEU 46 1.764 -0.057 -0.455 342 HD12 LEU 46 2HD1 LEU 46 1.028 -1.482 -1.189 343 HD13 LEU 46 3HD1 LEU 46 0.602 0.128 -1.769 344 HD21 LEU 46 3HD2 LEU 46 1.697 -2.467 -2.843 345 HD22 LEU 46 1HD2 LEU 46 3.327 -2.217 -3.469 346 HD23 LEU 46 2HD2 LEU 46 1.954 -1.433 -4.250 347 H PHE 47 H PHE 47 3.925 1.072 -0.270 348 HA PHE 47 HA PHE 47 6.621 0.079 -0.897 349 HB2 PHE 47 1HB PHE 47 5.906 1.559 1.639 350 HB3 PHE 47 2HB PHE 47 7.501 0.995 1.154 351 HD1 PHE 47 1HD PHE 47 4.758 3.158 -0.162 352 HD2 PHE 47 2HD PHE 47 8.946 2.546 0.288 353 HE1 PHE 47 1HE PHE 47 5.188 5.324 -1.247 354 HE2 PHE 47 2HE PHE 47 9.382 4.712 -0.795 355 HZ PHE 47 HZ PHE 47 7.502 6.104 -1.563 356 H TYR 48 H TYR 48 6.981 -1.938 -0.236 357 HA TYR 48 HA TYR 48 5.366 -3.028 1.962 358 HB2 TYR 48 1HB TYR 48 5.060 -5.127 0.710 359 HB3 TYR 48 2HB TYR 48 4.314 -3.764 -0.116 360 HD1 TYR 48 2HD TYR 48 5.368 -2.827 -2.154 361 HD2 TYR 48 1HD TYR 48 6.856 -6.348 -0.285 362 HE1 TYR 48 2HE TYR 48 6.617 -3.378 -4.200 363 HE2 TYR 48 1HE TYR 48 8.110 -6.908 -2.326 364 HH TYR 48 HH TYR 48 8.455 -6.392 -4.475 365 H THR 49 H THR 49 6.371 -4.563 3.231 366 HA THR 49 HA THR 49 8.895 -5.721 2.544 367 HB THR 49 HB THR 49 9.621 -3.427 3.143 368 HG1 THR 49 1HG THR 49 10.983 -4.313 5.051 369 HG21 THR 49 3HG2 THR 49 8.357 -4.129 5.788 370 HG22 THR 49 1HG2 THR 49 7.977 -2.763 4.741 371 HG23 THR 49 2HG2 THR 49 9.524 -2.823 5.586 372 H LEU 50 H LEU 50 9.712 -7.150 4.217 373 HA LEU 50 HA LEU 50 7.535 -8.251 5.801 374 HB2 LEU 50 1HB LEU 50 8.713 -10.229 5.863 375 HB3 LEU 50 2HB LEU 50 9.188 -9.559 4.303 376 HG LEU 50 HG LEU 50 10.939 -8.972 6.625 377 HD11 LEU 50 1HD1 LEU 50 10.867 -11.666 5.275 378 HD12 LEU 50 2HD1 LEU 50 10.418 -11.338 6.948 379 HD13 LEU 50 3HD1 LEU 50 12.085 -11.110 6.422 380 HD21 LEU 50 3HD2 LEU 50 12.545 -8.705 5.034 381 HD22 LEU 50 1HD2 LEU 50 11.122 -8.361 4.050 382 HD23 LEU 50 2HD2 LEU 50 11.874 -9.955 3.985 383 H ASP 51 H ASP 51 10.237 -6.236 6.226 384 HA ASP 51 HA ASP 51 10.052 -6.573 9.148 385 HB2 ASP 51 1HB ASP 51 12.431 -6.362 7.375 386 HB3 ASP 51 2HB ASP 51 12.509 -5.533 8.927 387 H LYS 52 H LYS 52 9.474 -4.816 10.244 388 HA LYS 52 HA LYS 52 9.205 -2.296 8.806 389 HB2 LYS 52 1HB LYS 52 7.734 -1.610 10.535 390 HB3 LYS 52 2HB LYS 52 7.346 -3.294 10.206 391 HG2 LYS 52 1HG LYS 52 9.038 -3.738 12.159 392 HG3 LYS 52 2HG LYS 52 8.639 -2.074 12.591 393 HD2 LYS 52 1HD LYS 52 6.258 -2.664 12.625 394 HD3 LYS 52 2HD LYS 52 6.669 -4.330 12.211 395 HE2 LYS 52 1HE LYS 52 6.523 -4.543 14.474 396 HE3 LYS 52 2HE LYS 52 8.220 -4.083 14.345 397 HZ1 LYS 52 3HZ LYS 52 7.354 -2.713 16.000 398 HZ2 LYS 52 1HZ LYS 52 5.923 -2.408 15.150 399 HZ3 LYS 52 2HZ LYS 52 7.378 -1.718 14.632 400 H ASN 53 H ASN 53 11.029 -3.726 11.418 401 HA ASN 53 HA ASN 53 12.000 -1.665 12.860 402 HB2 ASN 53 1HB ASN 53 13.643 -3.926 11.700 403 HB3 ASN 53 2HB ASN 53 14.144 -2.901 13.042 404 HD21 ASN 53 1HD2 ASN 53 12.180 -5.535 12.034 405 HD22 ASN 53 2HD2 ASN 53 11.602 -5.987 13.599 406 H ILE 54 H ILE 54 12.575 -2.239 9.494 407 HA ILE 54 HA ILE 54 14.748 -0.322 9.337 408 HB ILE 54 HB ILE 54 14.503 -0.743 6.836 409 HG12 ILE 54 1HG1 ILE 54 12.783 -3.036 7.799 410 HG13 ILE 54 2HG1 ILE 54 12.147 -1.589 7.025 411 HG21 ILE 54 1HG2 ILE 54 15.064 -3.180 8.513 412 HG22 ILE 54 2HG2 ILE 54 15.749 -2.775 6.940 413 HG23 ILE 54 3HG2 ILE 54 16.171 -1.816 8.358 414 HD11 ILE 54 3HD1 ILE 54 14.004 -2.354 5.219 415 HD12 ILE 54 1HD1 ILE 54 13.499 -3.914 5.865 416 HD13 ILE 54 2HD1 ILE 54 12.304 -2.821 5.166 417 HA PRO 55 HA PRO 55 12.370 3.244 8.388 418 HB2 PRO 55 1HB PRO 55 14.001 4.516 6.629 419 HB3 PRO 55 2HB PRO 55 14.350 4.411 8.359 420 HG2 PRO 55 1HG PRO 55 15.436 2.768 6.104 421 HG3 PRO 55 2HG PRO 55 16.289 3.461 7.496 422 HD2 PRO 55 1HD PRO 55 15.549 0.859 7.389 423 HD3 PRO 55 2HD PRO 55 15.615 1.771 8.910 424 H ILE 56 H ILE 56 10.744 3.773 7.044 425 HA ILE 56 HA ILE 56 9.747 2.254 5.068 426 HB ILE 56 HB ILE 56 8.618 4.260 5.969 427 HG12 ILE 56 1HG1 ILE 56 7.590 4.988 3.779 428 HG13 ILE 56 2HG1 ILE 56 8.806 4.012 2.963 429 HG21 ILE 56 1HG2 ILE 56 10.803 5.648 5.466 430 HG22 ILE 56 2HG2 ILE 56 9.964 5.978 3.951 431 HG23 ILE 56 3HG2 ILE 56 9.214 6.413 5.486 432 HD11 ILE 56 3HD1 ILE 56 6.375 3.204 4.389 433 HD12 ILE 56 1HD1 ILE 56 7.212 2.442 3.037 434 HD13 ILE 56 2HD1 ILE 56 7.795 2.201 4.684 435 H ASP 57 H ASP 57 12.487 4.362 4.788 436 HA ASP 57 HA ASP 57 12.572 4.554 1.964 437 HB2 ASP 57 1HB ASP 57 13.819 6.086 3.420 438 HB3 ASP 57 2HB ASP 57 14.823 4.750 3.977 439 H ASP 58 H ASP 58 14.156 2.365 4.266 440 HA ASP 58 HA ASP 58 15.637 0.899 2.383 441 HB2 ASP 58 1HB ASP 58 15.616 0.921 5.046 442 HB3 ASP 58 2HB ASP 58 14.583 -0.484 4.803 443 H TRP 59 H TRP 59 12.293 0.791 3.285 444 HA TRP 59 HA TRP 59 11.572 -1.780 2.543 445 HB2 TRP 59 1HB TRP 59 10.017 0.796 2.234 446 HB3 TRP 59 2HB TRP 59 9.320 -0.814 2.068 447 HD1 TRP 59 HD TRP 59 11.859 -0.158 4.837 448 HE1 TRP 59 1HE TRP 59 10.659 -0.290 7.111 449 HE3 TRP 59 3HE TRP 59 7.029 -0.464 3.190 450 HZ2 TRP 59 2HZ TRP 59 8.016 -0.498 8.078 451 HZ3 TRP 59 3HZ TRP 59 5.223 -0.627 4.854 452 HH2 TRP 59 HH TRP 59 5.709 -0.644 7.247 453 H ILE 60 H ILE 60 9.843 -1.875 0.524 454 HA ILE 60 HA ILE 60 11.530 -1.365 -1.829 455 HB ILE 60 HB ILE 60 9.254 -3.323 -1.501 456 HG12 ILE 60 1HG1 ILE 60 12.082 -4.136 -1.997 457 HG13 ILE 60 2HG1 ILE 60 11.637 -3.632 -0.370 458 HG21 ILE 60 1HG2 ILE 60 11.061 -3.710 -3.745 459 HG22 ILE 60 2HG2 ILE 60 9.299 -3.704 -3.699 460 HG23 ILE 60 3HG2 ILE 60 10.183 -2.183 -3.830 461 HD11 ILE 60 3HD1 ILE 60 11.527 -6.091 -0.811 462 HD12 ILE 60 1HD1 ILE 60 10.046 -5.373 -0.177 463 HD13 ILE 60 2HD1 ILE 60 10.172 -5.766 -1.892 464 H MET 61 H MET 61 10.965 0.612 -2.576 465 HA MET 61 HA MET 61 8.222 1.486 -2.647 466 HB2 MET 61 1HB MET 61 10.082 3.064 -2.256 467 HB3 MET 61 2HB MET 61 10.686 2.736 -3.874 468 HG2 MET 61 1HG MET 61 8.109 3.445 -4.384 469 HG3 MET 61 2HG MET 61 8.495 4.455 -2.992 470 HE1 MET 61 3HE MET 61 10.513 2.969 -5.838 471 HE2 MET 61 1HE MET 61 9.436 3.848 -6.923 472 HE3 MET 61 2HE MET 61 11.119 4.349 -6.756 473 H GLU 62 H GLU 62 6.862 1.563 -4.369 474 HA GLU 62 HA GLU 62 7.874 0.702 -6.985 475 HB2 GLU 62 1HB GLU 62 5.808 -0.633 -5.316 476 HB3 GLU 62 2HB GLU 62 5.500 -0.531 -7.044 477 HG2 GLU 62 1HG GLU 62 7.733 -1.926 -5.618 478 HG3 GLU 62 2HG GLU 62 6.547 -2.592 -6.739 479 H THR 63 H THR 63 7.397 2.245 -8.387 480 HA THR 63 HA THR 63 5.449 4.257 -7.883 481 HB THR 63 HB THR 63 6.892 3.623 -10.465 482 HG1 THR 63 1HG THR 63 7.523 5.307 -8.261 483 HG21 THR 63 3HG2 THR 63 5.812 5.334 -11.401 484 HG22 THR 63 1HG2 THR 63 6.202 6.389 -10.043 485 HG23 THR 63 2HG2 THR 63 4.760 5.375 -9.987 486 H ILE 64 H ILE 64 3.406 4.502 -8.636 487 HA ILE 64 HA ILE 64 2.364 2.488 -10.505 488 HB ILE 64 HB ILE 64 0.787 3.421 -8.114 489 HG12 ILE 64 1HG1 ILE 64 1.961 0.677 -8.250 490 HG13 ILE 64 2HG1 ILE 64 2.991 2.004 -7.725 491 HG21 ILE 64 1HG2 ILE 64 0.412 1.351 -10.246 492 HG22 ILE 64 2HG2 ILE 64 -0.419 1.221 -8.697 493 HG23 ILE 64 3HG2 ILE 64 -0.689 2.627 -9.727 494 HD11 ILE 64 3HD1 ILE 64 0.352 1.825 -6.432 495 HD12 ILE 64 1HD1 ILE 64 1.497 0.536 -6.063 496 HD13 ILE 64 2HD1 ILE 64 1.931 2.217 -5.753 497 H SER 65 H SER 65 0.670 3.165 -11.829 498 HA SER 65 HA SER 65 0.680 5.873 -12.578 499 HB2 SER 65 1HB SER 65 -1.004 3.502 -13.294 500 HB3 SER 65 2HB SER 65 -1.507 5.107 -13.825 501 HG SER 65 HG SER 65 0.838 3.679 -14.471 502 H GLY 66 H GLY 66 -0.561 7.582 -12.040 503 HA2 GLY 66 1HA GLY 66 -1.965 7.633 -9.625 504 HA3 GLY 66 2HA GLY 66 -2.068 8.863 -10.876 505 H ASP 67 H ASP 67 -3.030 6.751 -12.801 506 HA ASP 67 HA ASP 67 -5.814 7.169 -12.378 507 HB2 ASP 67 1HB ASP 67 -5.100 7.059 -14.635 508 HB3 ASP 67 2HB ASP 67 -4.249 5.540 -14.373 509 H ARG 68 H ARG 68 -3.671 4.374 -12.044 510 HA ARG 68 HA ARG 68 -5.817 2.625 -11.245 511 HB2 ARG 68 1HB ARG 68 -2.837 2.174 -11.027 512 HB3 ARG 68 2HB ARG 68 -4.096 0.949 -10.950 513 HG2 ARG 68 1HG ARG 68 -4.659 1.316 -13.264 514 HG3 ARG 68 2HG ARG 68 -3.509 2.652 -13.362 515 HD2 ARG 68 1HD ARG 68 -1.740 0.942 -12.673 516 HD3 ARG 68 2HD ARG 68 -2.952 -0.283 -13.045 517 HE ARG 68 HE ARG 68 -2.720 1.468 -15.227 518 HH11 ARG 68 1HH1 ARG 68 -0.913 -1.002 -13.568 519 HH12 ARG 68 2HH1 ARG 68 -0.031 -1.488 -14.979 520 HH21 ARG 68 1HH2 ARG 68 -1.565 0.839 -17.091 521 HH22 ARG 68 2HH2 ARG 68 -0.402 -0.439 -16.981 522 H LEU 69 H LEU 69 -6.053 1.658 -9.181 523 HA LEU 69 HA LEU 69 -4.834 3.185 -6.976 524 HB2 LEU 69 1HB LEU 69 -7.651 2.134 -7.180 525 HB3 LEU 69 2HB LEU 69 -6.946 2.838 -5.727 526 HG LEU 69 HG LEU 69 -7.086 4.415 -8.271 527 HD11 LEU 69 1HD1 LEU 69 -9.348 3.382 -7.525 528 HD12 LEU 69 2HD1 LEU 69 -9.258 5.102 -7.904 529 HD13 LEU 69 3HD1 LEU 69 -9.255 4.568 -6.223 530 HD21 LEU 69 3HD2 LEU 69 -6.703 4.953 -5.364 531 HD22 LEU 69 1HD2 LEU 69 -7.429 6.197 -6.382 532 HD23 LEU 69 2HD2 LEU 69 -5.818 5.583 -6.754 533 H THR 70 H THR 70 -4.369 0.474 -8.360 534 HA THR 70 HA THR 70 -4.122 -1.043 -5.859 535 HB THR 70 HB THR 70 -4.917 -3.065 -6.788 536 HG1 THR 70 1HG THR 70 -5.608 -2.135 -9.289 537 HG21 THR 70 3HG2 THR 70 -6.804 -0.996 -7.904 538 HG22 THR 70 1HG2 THR 70 -6.657 -1.338 -6.181 539 HG23 THR 70 2HG2 THR 70 -7.198 -2.600 -7.288 540 H HIS 71 H HIS 71 -2.532 -2.804 -5.997 541 HA HIS 71 HA HIS 71 -0.613 -2.614 -8.183 542 HB2 HIS 71 1HB HIS 71 0.269 -0.970 -6.672 543 HB3 HIS 71 2HB HIS 71 0.069 -2.049 -5.294 544 HD1 HIS 71 1HD HIS 71 2.215 -1.562 -8.354 545 HD2 HIS 71 2HD HIS 71 2.165 -3.782 -4.842 546 HE1 HIS 71 1HE HIS 71 4.479 -2.649 -8.213 547 HE2 HIS 71 2HE HIS 71 4.395 -4.054 -6.125 548 H GLN 72 H GLN 72 0.010 -4.584 -8.764 549 HA GLN 72 HA GLN 72 -0.492 -6.811 -6.932 550 HB2 GLN 72 1HB GLN 72 -1.454 -6.880 -9.225 551 HB3 GLN 72 2HB GLN 72 0.179 -6.878 -9.878 552 HG2 GLN 72 1HG GLN 72 0.429 -8.971 -8.284 553 HG3 GLN 72 2HG GLN 72 -1.318 -9.038 -8.508 554 HE21 GLN 72 1HE2 GLN 72 -2.062 -10.029 -10.250 555 HE22 GLN 72 2HE2 GLN 72 -1.132 -10.464 -11.639 556 H ILE 73 H ILE 73 1.099 -7.909 -5.981 557 HA ILE 73 HA ILE 73 3.861 -7.343 -6.830 558 HB ILE 73 HB ILE 73 2.825 -8.204 -4.127 559 HG12 ILE 73 1HG1 ILE 73 4.284 -5.660 -4.814 560 HG13 ILE 73 2HG1 ILE 73 2.532 -5.779 -4.932 561 HG21 ILE 73 1HG2 ILE 73 5.655 -7.627 -4.994 562 HG22 ILE 73 2HG2 ILE 73 5.127 -8.004 -3.355 563 HG23 ILE 73 3HG2 ILE 73 4.995 -9.220 -4.625 564 HD11 ILE 73 3HD1 ILE 73 4.276 -5.834 -2.518 565 HD12 ILE 73 1HD1 ILE 73 2.818 -4.893 -2.835 566 HD13 ILE 73 2HD1 ILE 73 2.696 -6.617 -2.480 567 H MET 74 H MET 74 5.362 -9.030 -6.966 568 HA MET 74 HA MET 74 4.268 -11.755 -6.844 569 HB2 MET 74 1HB MET 74 5.944 -10.610 -9.084 570 HB3 MET 74 2HB MET 74 5.513 -12.307 -8.917 571 HG2 MET 74 1HG MET 74 3.077 -11.426 -8.902 572 HG3 MET 74 2HG MET 74 3.784 -9.978 -9.615 573 HE1 MET 74 3HE MET 74 5.793 -11.093 -12.321 574 HE2 MET 74 1HE MET 74 4.299 -10.411 -12.963 575 HE3 MET 74 2HE MET 74 4.997 -9.763 -11.479 576 H ASP 75 H ASP 75 5.832 -13.420 -6.513 577 HA ASP 75 HA ASP 75 7.731 -14.356 -5.664 578 HB2 ASP 75 1HB ASP 75 8.764 -12.596 -7.347 579 HB3 ASP 75 2HB ASP 75 9.257 -11.795 -5.858 580 H LEU 76 H LEU 76 5.957 -13.710 -3.845 581 HA LEU 76 HA LEU 76 7.370 -12.205 -1.750 582 HB2 LEU 76 1HB LEU 76 4.485 -12.745 -2.301 583 HB3 LEU 76 2HB LEU 76 5.007 -12.407 -0.652 584 HG LEU 76 HG LEU 76 5.292 -10.574 -3.032 585 HD11 LEU 76 1HD1 LEU 76 3.778 -9.147 -1.571 586 HD12 LEU 76 2HD1 LEU 76 3.460 -10.618 -0.653 587 HD13 LEU 76 3HD1 LEU 76 3.042 -10.540 -2.364 588 HD21 LEU 76 3HD2 LEU 76 6.026 -8.933 -1.277 589 HD22 LEU 76 1HD2 LEU 76 7.179 -10.220 -1.632 590 HD23 LEU 76 2HD2 LEU 76 6.193 -10.298 -0.172 591 H ASN 77 H ASN 77 7.855 -13.134 0.186 592 HA ASN 77 HA ASN 77 8.333 -15.845 0.368 593 HB2 ASN 77 1HB ASN 77 8.143 -13.627 2.346 594 HB3 ASN 77 2HB ASN 77 8.153 -15.274 2.971 595 HD21 ASN 77 1HD2 ASN 77 10.155 -13.427 3.509 596 HD22 ASN 77 2HD2 ASN 77 11.620 -13.964 2.768 597 H LEU 78 H LEU 78 7.389 -17.325 2.100 598 HA LEU 78 HA LEU 78 4.448 -17.135 2.058 599 HB2 LEU 78 1HB LEU 78 6.017 -19.701 2.055 600 HB3 LEU 78 2HB LEU 78 4.288 -19.488 1.786 601 HG LEU 78 HG LEU 78 6.470 -18.584 -0.092 602 HD11 LEU 78 1HD1 LEU 78 6.545 -20.744 -0.653 603 HD12 LEU 78 2HD1 LEU 78 4.963 -20.472 -1.383 604 HD13 LEU 78 3HD1 LEU 78 5.079 -21.124 0.252 605 HD21 LEU 78 3HD2 LEU 78 4.914 -17.540 -1.308 606 HD22 LEU 78 1HD2 LEU 78 3.917 -17.604 0.145 607 HD23 LEU 78 2HD2 LEU 78 3.746 -18.844 -1.096 608 H ASP 79 H ASP 79 3.475 -17.171 3.975 609 HA ASP 79 HA ASP 79 3.058 -17.547 6.188 610 HB2 ASP 79 1HB ASP 79 4.082 -19.830 5.660 611 HB3 ASP 79 2HB ASP 79 5.581 -19.193 6.332 612 H THR 80 H THR 80 4.604 -15.328 5.221 613 HA THR 80 HA THR 80 6.100 -14.703 7.678 614 HB THR 80 HB THR 80 6.914 -13.804 4.909 615 HG1 THR 80 1HG THR 80 7.457 -16.086 6.302 616 HG21 THR 80 3HG2 THR 80 8.322 -12.387 5.902 617 HG22 THR 80 1HG2 THR 80 8.918 -13.645 6.984 618 HG23 THR 80 2HG2 THR 80 7.483 -12.717 7.417 619 H MET 81 H MET 81 5.594 -12.811 8.615 620 HA MET 81 HA MET 81 3.329 -11.361 7.816 621 HB2 MET 81 1HB MET 81 4.528 -11.544 10.134 622 HB3 MET 81 2HB MET 81 5.428 -10.142 9.572 623 HG2 MET 81 1HG MET 81 3.714 -9.149 10.713 624 HG3 MET 81 2HG MET 81 3.068 -9.170 9.074 625 HE1 MET 81 3HE MET 81 -0.018 -9.823 9.438 626 HE2 MET 81 1HE MET 81 1.319 -9.999 8.301 627 HE3 MET 81 2HE MET 81 0.402 -11.417 8.809 628 H TYR 82 H TYR 82 3.057 -9.792 6.373 629 HA TYR 82 HA TYR 82 5.434 -8.316 5.446 630 HB2 TYR 82 1HB TYR 82 3.293 -9.696 3.918 631 HB3 TYR 82 2HB TYR 82 3.851 -8.151 3.286 632 HD1 TYR 82 1HD TYR 82 6.573 -7.973 3.382 633 HD2 TYR 82 2HD TYR 82 4.304 -11.553 3.017 634 HE1 TYR 82 1HE TYR 82 8.509 -9.088 2.353 635 HE2 TYR 82 2HE TYR 82 6.233 -12.679 1.988 636 HH TYR 82 HH TYR 82 9.154 -11.903 2.220 637 H TYR 83 H TYR 83 5.326 -6.214 5.832 638 HA TYR 83 HA TYR 83 2.796 -5.003 6.581 639 HB2 TYR 83 1HB TYR 83 5.494 -3.658 6.449 640 HB3 TYR 83 2HB TYR 83 4.082 -3.153 7.370 641 HD1 TYR 83 1HD TYR 83 3.212 -5.091 9.046 642 HD2 TYR 83 2HD TYR 83 7.204 -4.623 7.647 643 HE1 TYR 83 1HE TYR 83 4.037 -6.336 11.000 644 HE2 TYR 83 2HE TYR 83 8.039 -5.868 9.597 645 HH TYR 83 HH TYR 83 6.406 -6.356 12.304 646 H PHE 84 H PHE 84 1.905 -3.166 5.591 647 HA PHE 84 HA PHE 84 2.918 -2.549 2.899 648 HB2 PHE 84 1HB PHE 84 0.082 -3.173 3.715 649 HB3 PHE 84 2HB PHE 84 0.467 -2.316 2.226 650 HD1 PHE 84 1HD PHE 84 1.932 -3.463 0.522 651 HD2 PHE 84 2HD PHE 84 0.196 -5.504 3.829 652 HE1 PHE 84 1HE PHE 84 2.275 -5.611 -0.628 653 HE2 PHE 84 2HE PHE 84 0.538 -7.655 2.685 654 HZ PHE 84 HZ PHE 84 1.579 -7.711 0.454 655 H ARG 85 H ARG 85 3.246 -0.452 2.586 656 HA ARG 85 HA ARG 85 1.576 1.502 3.981 657 HB2 ARG 85 1HB ARG 85 4.590 1.396 4.104 658 HB3 ARG 85 2HB ARG 85 3.663 2.836 4.502 659 HG2 ARG 85 1HG ARG 85 2.419 1.296 6.159 660 HG3 ARG 85 2HG ARG 85 3.807 0.226 5.950 661 HD2 ARG 85 1HD ARG 85 3.985 3.124 6.764 662 HD3 ARG 85 2HD ARG 85 4.005 1.768 7.891 663 HE ARG 85 HE ARG 85 6.009 1.585 5.842 664 HH11 ARG 85 1HH1 ARG 85 5.235 2.898 8.972 665 HH12 ARG 85 2HH1 ARG 85 6.889 3.033 9.468 666 HH21 ARG 85 1HH2 ARG 85 8.190 1.758 6.484 667 HH22 ARG 85 2HH2 ARG 85 8.569 2.385 8.053 668 H ILE 86 H ILE 86 0.658 2.456 2.267 669 HA ILE 86 HA ILE 86 2.397 3.292 0.042 670 HB ILE 86 HB ILE 86 0.573 1.779 -0.617 671 HG12 ILE 86 1HG1 ILE 86 0.012 4.569 -1.627 672 HG13 ILE 86 2HG1 ILE 86 1.434 3.646 -2.100 673 HG21 ILE 86 1HG2 ILE 86 -1.354 1.944 0.486 674 HG22 ILE 86 2HG2 ILE 86 -0.971 3.566 1.058 675 HG23 ILE 86 3HG2 ILE 86 -1.710 3.343 -0.527 676 HD11 ILE 86 3HD1 ILE 86 -0.230 1.843 -2.834 677 HD12 ILE 86 1HD1 ILE 86 -1.442 3.119 -2.726 678 HD13 ILE 86 2HD1 ILE 86 -0.074 3.292 -3.826 679 H GLN 87 H GLN 87 1.691 5.336 -1.053 680 HA GLN 87 HA GLN 87 0.362 7.253 0.695 681 HB2 GLN 87 1HB GLN 87 2.260 8.894 0.267 682 HB3 GLN 87 2HB GLN 87 2.580 7.606 1.421 683 HG2 GLN 87 1HG GLN 87 3.588 6.357 -0.596 684 HG3 GLN 87 2HG GLN 87 3.620 7.946 -1.359 685 HE21 GLN 87 1HE2 GLN 87 4.290 9.589 0.675 686 HE22 GLN 87 2HE2 GLN 87 5.863 9.200 1.273 687 H ALA 88 H ALA 88 0.669 9.552 -0.590 688 HA ALA 88 HA ALA 88 -0.120 8.997 -3.376 689 HB1 ALA 88 3HB ALA 88 -1.584 10.334 -1.269 690 HB2 ALA 88 1HB ALA 88 -1.378 11.369 -2.682 691 HB3 ALA 88 2HB ALA 88 -2.134 9.784 -2.852 692 H ARG 89 H ARG 89 0.670 10.328 -4.950 693 HA ARG 89 HA ARG 89 2.348 12.591 -4.110 694 HB2 ARG 89 1HB ARG 89 3.954 10.909 -4.524 695 HB3 ARG 89 2HB ARG 89 3.095 10.324 -5.942 696 HG2 ARG 89 1HG ARG 89 3.633 12.464 -7.081 697 HG3 ARG 89 2HG ARG 89 4.615 12.907 -5.683 698 HD2 ARG 89 1HD ARG 89 6.131 11.137 -6.066 699 HD3 ARG 89 2HD ARG 89 5.046 10.358 -7.217 700 HE ARG 89 HE ARG 89 5.537 12.729 -8.392 701 HH11 ARG 89 1HH1 ARG 89 7.624 10.306 -7.015 702 HH12 ARG 89 2HH1 ARG 89 8.943 10.648 -8.084 703 HH21 ARG 89 1HH2 ARG 89 7.267 13.188 -9.805 704 HH22 ARG 89 2HH2 ARG 89 8.740 12.288 -9.671 705 H ASN 90 H ASN 90 1.992 14.404 -5.226 706 HA ASN 90 HA ASN 90 0.537 14.197 -7.781 707 HB2 ASN 90 1HB ASN 90 -0.500 16.403 -7.184 708 HB3 ASN 90 2HB ASN 90 -0.986 15.071 -6.140 709 HD21 ASN 90 1HD2 ASN 90 -1.570 16.553 -4.528 710 HD22 ASN 90 2HD2 ASN 90 -0.381 17.337 -3.551 711 H SER 91 H SER 91 0.745 16.290 -9.084 712 HA SER 91 HA SER 91 3.209 16.659 -10.078 713 HB2 SER 91 1HB SER 91 1.147 17.727 -10.970 714 HB3 SER 91 2HB SER 91 1.244 18.930 -9.684 715 HG SER 91 HG SER 91 3.455 18.505 -11.363 716 H LYS 92 H LYS 92 1.998 18.052 -7.110 717 HA LYS 92 HA LYS 92 4.193 19.851 -6.727 718 HB2 LYS 92 1HB LYS 92 2.329 18.797 -4.601 719 HB3 LYS 92 2HB LYS 92 3.243 20.299 -4.579 720 HG2 LYS 92 1HG LYS 92 1.283 19.901 -6.770 721 HG3 LYS 92 2HG LYS 92 0.667 20.235 -5.150 722 HD2 LYS 92 1HD LYS 92 0.881 22.364 -6.017 723 HD3 LYS 92 2HD LYS 92 2.424 22.163 -5.185 724 HE2 LYS 92 1HE LYS 92 3.547 21.673 -7.231 725 HE3 LYS 92 2HE LYS 92 2.022 21.566 -8.110 726 HZ1 LYS 92 3HZ LYS 92 3.392 23.699 -8.313 727 HZ2 LYS 92 1HZ LYS 92 2.819 24.068 -6.765 728 HZ3 LYS 92 2HZ LYS 92 1.730 23.851 -8.039 729 H GLY 93 H GLY 93 3.212 17.114 -4.661 730 HA2 GLY 93 1HA GLY 93 5.810 15.900 -4.781 731 HA3 GLY 93 2HA GLY 93 5.549 16.774 -3.279 732 H VAL 94 H VAL 94 5.823 14.664 -2.274 733 HA VAL 94 HA VAL 94 3.343 13.072 -2.380 734 HB VAL 94 HB VAL 94 5.296 11.836 -3.266 735 HG11 VAL 94 1HG1 VAL 94 7.269 11.648 -2.205 736 HG12 VAL 94 2HG1 VAL 94 6.732 13.082 -1.327 737 HG13 VAL 94 3HG1 VAL 94 6.516 11.480 -0.620 738 HG21 VAL 94 3HG2 VAL 94 3.954 10.195 -2.541 739 HG22 VAL 94 1HG2 VAL 94 5.096 10.044 -1.206 740 HG23 VAL 94 2HG2 VAL 94 3.633 11.009 -1.010 741 H GLY 95 H GLY 95 2.441 12.395 -0.449 742 HA2 GLY 95 1HA GLY 95 3.383 13.860 1.911 743 HA3 GLY 95 2HA GLY 95 1.781 13.169 1.698 744 HA PRO 96 HA PRO 96 4.123 10.379 4.536 745 HB2 PRO 96 1HB PRO 96 2.042 9.997 6.238 746 HB3 PRO 96 2HB PRO 96 3.156 11.363 6.374 747 HG2 PRO 96 1HG PRO 96 0.424 11.261 5.155 748 HG3 PRO 96 2HG PRO 96 1.137 12.503 6.201 749 HD2 PRO 96 1HD PRO 96 0.966 12.785 3.513 750 HD3 PRO 96 2HD PRO 96 2.294 13.481 4.464 751 H LEU 97 H LEU 97 3.272 8.183 5.421 752 HA LEU 97 HA LEU 97 1.746 6.887 3.261 753 HB2 LEU 97 1HB LEU 97 3.765 5.648 5.125 754 HB3 LEU 97 2HB LEU 97 2.948 4.847 3.785 755 HG LEU 97 HG LEU 97 4.137 6.809 2.422 756 HD11 LEU 97 1HD1 LEU 97 5.253 7.947 4.127 757 HD12 LEU 97 2HD1 LEU 97 6.499 6.934 3.398 758 HD13 LEU 97 3HD1 LEU 97 5.753 6.455 4.923 759 HD21 LEU 97 3HD2 LEU 97 6.158 5.082 2.371 760 HD22 LEU 97 1HD2 LEU 97 4.602 4.736 1.616 761 HD23 LEU 97 2HD2 LEU 97 4.975 4.076 3.209 762 H SER 98 H SER 98 0.673 4.791 4.013 763 HA SER 98 HA SER 98 -0.985 5.451 6.305 764 HB2 SER 98 1HB SER 98 -1.790 4.535 4.003 765 HB3 SER 98 2HB SER 98 -1.301 2.966 4.644 766 HG SER 98 HG SER 98 -3.028 2.958 5.829 767 H ASP 99 H ASP 99 -1.660 3.519 7.714 768 HA ASP 99 HA ASP 99 0.571 2.661 9.182 769 HB2 ASP 99 1HB ASP 99 -2.263 1.603 9.173 770 HB3 ASP 99 2HB ASP 99 -1.047 1.196 10.381 771 HA PRO 100 HA PRO 100 1.963 -0.858 6.928 772 HB2 PRO 100 1HB PRO 100 3.315 -2.110 8.921 773 HB3 PRO 100 2HB PRO 100 3.916 -0.654 8.120 774 HG2 PRO 100 1HG PRO 100 2.498 -0.925 10.742 775 HG3 PRO 100 2HG PRO 100 3.903 0.074 10.328 776 HD2 PRO 100 1HD PRO 100 1.396 1.083 10.492 777 HD3 PRO 100 2HD PRO 100 2.608 1.717 9.361 778 H ILE 101 H ILE 101 -0.197 -1.739 6.648 779 HA ILE 101 HA ILE 101 -1.607 -3.256 8.486 780 HB ILE 101 HB ILE 101 -1.430 -3.762 5.513 781 HG12 ILE 101 1HG1 ILE 101 -3.325 -2.006 7.088 782 HG13 ILE 101 2HG1 ILE 101 -2.025 -1.432 6.049 783 HG21 ILE 101 1HG2 ILE 101 -3.476 -4.922 5.686 784 HG22 ILE 101 2HG2 ILE 101 -2.458 -5.552 6.980 785 HG23 ILE 101 3HG2 ILE 101 -3.728 -4.385 7.347 786 HD11 ILE 101 3HD1 ILE 101 -4.235 -1.296 4.991 787 HD12 ILE 101 1HD1 ILE 101 -3.124 -2.342 4.109 788 HD13 ILE 101 2HD1 ILE 101 -4.386 -3.048 5.120 789 H LEU 102 H LEU 102 -1.441 -5.262 9.300 790 HA LEU 102 HA LEU 102 0.936 -6.807 8.611 791 HB2 LEU 102 1HB LEU 102 -0.905 -6.660 10.930 792 HB3 LEU 102 2HB LEU 102 -0.123 -8.208 10.615 793 HG LEU 102 HG LEU 102 2.077 -6.916 10.659 794 HD11 LEU 102 1HD1 LEU 102 0.326 -4.869 12.011 795 HD12 LEU 102 2HD1 LEU 102 1.089 -4.680 10.433 796 HD13 LEU 102 3HD1 LEU 102 2.084 -4.825 11.881 797 HD21 LEU 102 3HD2 LEU 102 2.265 -7.136 13.026 798 HD22 LEU 102 1HD2 LEU 102 1.189 -8.414 12.458 799 HD23 LEU 102 2HD2 LEU 102 0.520 -6.980 13.238 800 H PHE 103 H PHE 103 0.579 -8.005 6.826 801 HA PHE 103 HA PHE 103 -1.748 -9.812 6.869 802 HB2 PHE 103 1HB PHE 103 -2.114 -8.242 5.098 803 HB3 PHE 103 2HB PHE 103 -0.461 -8.420 4.518 804 HD1 PHE 103 1HD PHE 103 -3.706 -10.154 4.854 805 HD2 PHE 103 2HD PHE 103 0.115 -10.101 2.980 806 HE1 PHE 103 1HE PHE 103 -4.447 -11.915 3.303 807 HE2 PHE 103 2HE PHE 103 -0.620 -11.861 1.425 808 HZ PHE 103 HZ PHE 103 -2.904 -12.769 1.585 809 H ARG 104 H ARG 104 -1.265 -11.902 6.918 810 HA ARG 104 HA ARG 104 1.498 -12.721 6.439 811 HB2 ARG 104 1HB ARG 104 -0.026 -13.346 8.499 812 HB3 ARG 104 2HB ARG 104 -0.614 -14.598 7.413 813 HG2 ARG 104 1HG ARG 104 1.348 -15.748 7.445 814 HG3 ARG 104 2HG ARG 104 2.320 -14.299 7.710 815 HD2 ARG 104 1HD ARG 104 1.976 -14.320 9.983 816 HD3 ARG 104 2HD ARG 104 0.450 -15.193 9.850 817 HE ARG 104 HE ARG 104 2.237 -17.026 9.027 818 HH11 ARG 104 1HH1 ARG 104 2.117 -14.953 11.821 819 HH12 ARG 104 2HH1 ARG 104 2.974 -16.060 12.841 820 HH21 ARG 104 1HH2 ARG 104 3.366 -18.492 10.360 821 HH22 ARG 104 2HH2 ARG 104 3.685 -18.073 12.009 822 H THR 105 H THR 105 2.058 -13.532 4.541 823 HA THR 105 HA THR 105 0.296 -14.063 2.442 824 HB THR 105 HB THR 105 2.316 -15.405 1.505 825 HG1 THR 105 1HG THR 105 4.281 -14.774 2.629 826 HG21 THR 105 3HG2 THR 105 2.494 -13.460 0.432 827 HG22 THR 105 1HG2 THR 105 3.530 -12.887 1.739 828 HG23 THR 105 2HG2 THR 105 1.792 -12.590 1.796 829 H LEU 106 H LEU 106 -0.141 -16.097 1.357 830 HA LEU 106 HA LEU 106 -1.224 -18.039 3.072 831 HB2 LEU 106 1HB LEU 106 -0.817 -17.753 0.157 832 HB3 LEU 106 2HB LEU 106 -1.078 -19.388 0.760 833 HG LEU 106 HG LEU 106 -2.958 -17.065 1.174 834 HD11 LEU 106 1HD1 LEU 106 -4.332 -18.783 -0.342 835 HD12 LEU 106 2HD1 LEU 106 -2.709 -19.107 -0.948 836 HD13 LEU 106 3HD1 LEU 106 -3.364 -17.471 -1.014 837 HD21 LEU 106 3HD2 LEU 106 -2.710 -19.576 2.488 838 HD22 LEU 106 1HD2 LEU 106 -4.181 -19.594 1.514 839 HD23 LEU 106 2HD2 LEU 106 -3.934 -18.325 2.714 840 H LYS 107 H LYS 107 -0.686 -20.397 2.977 841 HA LYS 107 HA LYS 107 2.228 -20.819 2.876 842 HB2 LYS 107 1HB LYS 107 0.302 -22.004 4.884 843 HB3 LYS 107 2HB LYS 107 2.031 -22.316 4.806 844 HG2 LYS 107 1HG LYS 107 1.997 -20.745 6.446 845 HG3 LYS 107 2HG LYS 107 2.164 -19.692 5.039 846 HD2 LYS 107 1HD LYS 107 0.458 -18.725 6.342 847 HD3 LYS 107 2HD LYS 107 -0.377 -19.560 5.031 848 HE2 LYS 107 1HE LYS 107 -0.635 -21.515 6.604 849 HE3 LYS 107 2HE LYS 107 -0.056 -20.455 7.888 850 HZ1 LYS 107 3HZ LYS 107 -2.300 -19.569 6.216 851 HZ2 LYS 107 1HZ LYS 107 -1.949 -19.197 7.829 852 HZ3 LYS 107 2HZ LYS 107 -2.591 -20.710 7.430 853 H VAL 108 H VAL 108 2.347 -21.884 0.955 854 HA VAL 108 HA VAL 108 0.479 -23.903 0.172 855 HB VAL 108 HB VAL 108 1.960 -24.308 -1.718 856 HG11 VAL 108 1HG1 VAL 108 0.538 -22.515 -2.137 857 HG12 VAL 108 2HG1 VAL 108 1.365 -21.464 -0.984 858 HG13 VAL 108 3HG1 VAL 108 2.131 -21.865 -2.522 859 HG21 VAL 108 3HG2 VAL 108 4.007 -23.707 -0.057 860 HG22 VAL 108 1HG2 VAL 108 4.139 -23.742 -1.815 861 HG23 VAL 108 2HG2 VAL 108 3.888 -22.209 -0.980 862 H SER 109 H SER 109 1.334 -26.113 -0.520 863 HA SER 109 HA SER 109 3.317 -27.167 1.364 864 HB2 SER 109 1HB SER 109 0.452 -28.016 1.107 865 HB3 SER 109 2HB SER 109 1.676 -29.202 1.558 866 HG SER 109 HG SER 109 1.853 -28.299 3.458 867 H GLY 110 H GLY 110 3.468 -29.716 0.803 868 HA2 GLY 110 1HA GLY 110 4.337 -29.746 -1.969 869 HA3 GLY 110 2HA GLY 110 4.657 -30.981 -0.760 870 HA PRO 111 HA PRO 111 0.814 -31.852 -3.566 871 HB2 PRO 111 1HB PRO 111 1.942 -32.842 -5.828 872 HB3 PRO 111 2HB PRO 111 1.519 -31.137 -5.633 873 HG2 PRO 111 1HG PRO 111 4.180 -32.474 -5.333 874 HG3 PRO 111 2HG PRO 111 3.782 -30.938 -6.125 875 HD2 PRO 111 1HD PRO 111 4.835 -31.062 -3.633 876 HD3 PRO 111 2HD PRO 111 3.708 -29.784 -4.132 877 H SER 112 H SER 112 3.603 -33.352 -2.413 878 HA SER 112 HA SER 112 3.146 -36.027 -3.231 879 HB2 SER 112 1HB SER 112 4.751 -36.632 -1.483 880 HB3 SER 112 2HB SER 112 5.330 -35.235 -2.391 881 HG SER 112 HG SER 112 5.039 -33.979 -0.685 882 H SER 113 H SER 113 1.034 -36.630 -2.879 883 HA SER 113 HA SER 113 0.178 -36.763 -0.061 884 HB2 SER 113 1HB SER 113 -1.339 -36.201 -2.578 885 HB3 SER 113 2HB SER 113 -2.168 -37.015 -1.251 886 HG SER 113 HG SER 113 -1.955 -34.503 -1.459 887 H GLY 114 H GLY 114 -0.345 -38.400 -3.193 888 HA2 GLY 114 1HA GLY 114 0.103 -40.704 -3.565 889 HA3 GLY 114 2HA GLY 114 0.028 -40.971 -1.830 Start of MODEL 12 1 H1 GLY 1 H GLY 1 10.709 33.982 -6.255 2 HA2 GLY 1 1HA GLY 1 9.719 34.356 -8.577 3 HA3 GLY 1 2HA GLY 1 9.988 32.631 -8.776 4 H SER 2 H SER 2 8.401 31.283 -8.215 5 HA SER 2 HA SER 2 6.184 32.380 -6.612 6 HB2 SER 2 1HB SER 2 4.636 31.180 -7.912 7 HB3 SER 2 2HB SER 2 5.792 31.789 -9.097 8 HG SER 2 HG SER 2 5.949 29.768 -9.647 9 H SER 3 H SER 3 4.880 30.655 -5.489 10 HA SER 3 HA SER 3 6.374 28.275 -4.743 11 HB2 SER 3 1HB SER 3 6.195 28.771 -2.320 12 HB3 SER 3 2HB SER 3 7.226 29.927 -3.164 13 HG SER 3 HG SER 3 4.523 30.554 -2.946 14 H GLY 4 H GLY 4 4.947 26.687 -4.938 15 HA2 GLY 4 1HA GLY 4 2.616 26.458 -3.422 16 HA3 GLY 4 2HA GLY 4 2.147 27.076 -4.998 17 H SER 5 H SER 5 4.410 24.594 -3.793 18 HA SER 5 HA SER 5 3.110 22.676 -5.609 19 HB2 SER 5 1HB SER 5 5.229 21.761 -6.259 20 HB3 SER 5 2HB SER 5 5.332 23.507 -6.480 21 HG SER 5 HG SER 5 6.457 21.917 -4.434 22 H SER 6 H SER 6 2.372 22.899 -2.981 23 HA SER 6 HA SER 6 3.842 20.974 -1.397 24 HB2 SER 6 1HB SER 6 1.468 22.742 -0.925 25 HB3 SER 6 2HB SER 6 1.768 21.384 0.160 26 HG SER 6 HG SER 6 3.081 23.771 -0.058 27 H GLY 7 H GLY 7 3.521 18.856 -1.474 28 HA2 GLY 7 1HA GLY 7 1.518 17.666 -3.082 29 HA3 GLY 7 2HA GLY 7 2.577 16.820 -1.964 30 HA PRO 8 HA PRO 8 -1.793 16.553 -0.397 31 HB2 PRO 8 1HB PRO 8 -1.743 13.870 0.012 32 HB3 PRO 8 2HB PRO 8 -2.186 14.597 -1.536 33 HG2 PRO 8 1HG PRO 8 0.428 13.418 -0.677 34 HG3 PRO 8 2HG PRO 8 -0.431 13.232 -2.218 35 HD2 PRO 8 1HD PRO 8 1.654 14.931 -1.908 36 HD3 PRO 8 2HD PRO 8 0.311 15.262 -3.020 37 H THR 9 H THR 9 -2.332 16.579 1.730 38 HA THR 9 HA THR 9 -0.169 16.087 3.649 39 HB THR 9 HB THR 9 -1.661 17.359 5.245 40 HG1 THR 9 1HG THR 9 -3.477 18.278 4.492 41 HG21 THR 9 3HG2 THR 9 -0.675 19.313 4.646 42 HG22 THR 9 1HG2 THR 9 -1.206 19.193 2.969 43 HG23 THR 9 2HG2 THR 9 0.189 18.266 3.521 44 H SER 10 H SER 10 -2.043 14.054 2.403 45 HA SER 10 HA SER 10 -2.606 12.638 4.868 46 HB2 SER 10 1HB SER 10 -4.698 13.801 4.617 47 HB3 SER 10 2HB SER 10 -4.789 13.374 2.908 48 HG SER 10 HG SER 10 -5.763 11.627 3.513 49 H ALA 11 H ALA 11 -2.551 10.439 4.636 50 HA ALA 11 HA ALA 11 -1.496 9.448 2.132 51 HB1 ALA 11 3HB ALA 11 -1.271 8.722 4.854 52 HB2 ALA 11 1HB ALA 11 -1.960 7.344 3.995 53 HB3 ALA 11 2HB ALA 11 -0.426 8.037 3.465 54 HA PRO 12 HA PRO 12 -5.041 7.447 0.491 55 HB2 PRO 12 1HB PRO 12 -4.175 4.949 -0.127 56 HB3 PRO 12 2HB PRO 12 -3.678 6.387 -1.026 57 HG2 PRO 12 1HG PRO 12 -2.221 4.899 1.124 58 HG3 PRO 12 2HG PRO 12 -1.597 5.562 -0.397 59 HD2 PRO 12 1HD PRO 12 -1.274 6.818 1.980 60 HD3 PRO 12 2HD PRO 12 -1.448 7.701 0.450 61 H LYS 13 H LYS 13 -6.696 5.863 0.818 62 HA LYS 13 HA LYS 13 -6.532 4.471 3.411 63 HB2 LYS 13 1HB LYS 13 -9.047 4.872 3.526 64 HB3 LYS 13 2HB LYS 13 -8.011 6.267 3.798 65 HG2 LYS 13 1HG LYS 13 -8.344 6.792 1.330 66 HG3 LYS 13 2HG LYS 13 -9.647 5.602 1.374 67 HD2 LYS 13 1HD LYS 13 -10.821 6.861 3.046 68 HD3 LYS 13 2HD LYS 13 -9.464 7.977 3.224 69 HE2 LYS 13 1HE LYS 13 -10.962 9.146 1.878 70 HE3 LYS 13 2HE LYS 13 -9.813 8.469 0.725 71 HZ1 LYS 13 3HZ LYS 13 -12.535 7.466 1.345 72 HZ2 LYS 13 1HZ LYS 13 -11.416 6.612 0.406 73 HZ3 LYS 13 2HZ LYS 13 -11.988 8.115 -0.118 74 H ASP 14 H ASP 14 -8.735 2.986 3.433 75 HA ASP 14 HA ASP 14 -9.540 0.971 2.740 76 HB2 ASP 14 1HB ASP 14 -10.547 2.634 1.062 77 HB3 ASP 14 2HB ASP 14 -9.341 2.033 -0.072 78 H LEU 15 H LEU 15 -6.739 1.093 3.070 79 HA LEU 15 HA LEU 15 -5.483 -0.244 0.849 80 HB2 LEU 15 1HB LEU 15 -4.217 1.280 2.268 81 HB3 LEU 15 2HB LEU 15 -4.524 0.250 3.665 82 HG LEU 15 HG LEU 15 -3.151 -1.507 2.706 83 HD11 LEU 15 1HD1 LEU 15 -3.331 0.201 0.316 84 HD12 LEU 15 2HD1 LEU 15 -3.171 -1.550 0.457 85 HD13 LEU 15 3HD1 LEU 15 -1.751 -0.519 0.626 86 HD21 LEU 15 3HD2 LEU 15 -2.232 1.045 3.542 87 HD22 LEU 15 1HD2 LEU 15 -1.150 0.460 2.278 88 HD23 LEU 15 2HD2 LEU 15 -1.439 -0.522 3.714 89 H THR 16 H THR 16 -6.119 -2.265 0.428 90 HA THR 16 HA THR 16 -6.107 -4.193 2.655 91 HB THR 16 HB THR 16 -8.008 -4.248 0.304 92 HG1 THR 16 1HG THR 16 -8.849 -3.968 2.967 93 HG21 THR 16 3HG2 THR 16 -9.003 -5.938 2.201 94 HG22 THR 16 1HG2 THR 16 -7.267 -6.195 2.370 95 HG23 THR 16 2HG2 THR 16 -8.047 -6.442 0.808 96 H VAL 17 H VAL 17 -5.191 -6.176 2.259 97 HA VAL 17 HA VAL 17 -3.982 -6.553 -0.403 98 HB VAL 17 HB VAL 17 -2.771 -7.260 2.273 99 HG11 VAL 17 1HG1 VAL 17 -1.472 -7.557 -0.421 100 HG12 VAL 17 2HG1 VAL 17 -0.937 -8.199 1.134 101 HG13 VAL 17 3HG1 VAL 17 -2.366 -8.869 0.346 102 HG21 VAL 17 3HG2 VAL 17 -0.999 -5.660 0.913 103 HG22 VAL 17 1HG2 VAL 17 -2.561 -4.943 0.517 104 HG23 VAL 17 2HG2 VAL 17 -2.079 -5.133 2.203 105 H ILE 18 H ILE 18 -4.759 -8.281 -1.399 106 HA ILE 18 HA ILE 18 -5.641 -10.571 0.235 107 HB ILE 18 HB ILE 18 -7.199 -11.131 -1.610 108 HG12 ILE 18 1HG1 ILE 18 -6.724 -8.360 -2.684 109 HG13 ILE 18 2HG1 ILE 18 -5.807 -9.736 -3.287 110 HG21 ILE 18 1HG2 ILE 18 -8.080 -9.979 0.291 111 HG22 ILE 18 2HG2 ILE 18 -7.510 -8.427 -0.320 112 HG23 ILE 18 3HG2 ILE 18 -8.809 -9.280 -1.154 113 HD11 ILE 18 3HD1 ILE 18 -7.881 -9.034 -4.578 114 HD12 ILE 18 1HD1 ILE 18 -7.705 -10.746 -4.193 115 HD13 ILE 18 2HD1 ILE 18 -8.801 -9.737 -3.248 116 H THR 19 H THR 19 -5.249 -12.668 -0.572 117 HA THR 19 HA THR 19 -2.793 -12.888 -2.063 118 HB THR 19 HB THR 19 -3.165 -14.361 -0.152 119 HG1 THR 19 1HG THR 19 -3.242 -15.944 -2.513 120 HG21 THR 19 3HG2 THR 19 -5.019 -15.583 0.187 121 HG22 THR 19 1HG2 THR 19 -5.086 -16.117 -1.492 122 HG23 THR 19 2HG2 THR 19 -5.750 -14.547 -1.039 123 H ARG 20 H ARG 20 -2.751 -12.871 -4.207 124 HA ARG 20 HA ARG 20 -4.797 -12.909 -5.980 125 HB2 ARG 20 1HB ARG 20 -1.946 -13.757 -6.178 126 HB3 ARG 20 2HB ARG 20 -3.012 -14.129 -7.527 127 HG2 ARG 20 1HG ARG 20 -3.089 -11.360 -6.495 128 HG3 ARG 20 2HG ARG 20 -1.628 -11.861 -7.350 129 HD2 ARG 20 1HD ARG 20 -3.139 -10.894 -8.938 130 HD3 ARG 20 2HD ARG 20 -3.065 -12.631 -9.227 131 HE ARG 20 HE ARG 20 -5.229 -11.751 -7.521 132 HH11 ARG 20 1HH1 ARG 20 -4.189 -12.514 -10.755 133 HH12 ARG 20 2HH1 ARG 20 -5.793 -12.803 -11.342 134 HH21 ARG 20 1HH2 ARG 20 -7.346 -12.130 -8.282 135 HH22 ARG 20 2HH2 ARG 20 -7.588 -12.584 -9.935 136 H GLU 21 H GLU 21 -6.371 -14.292 -6.418 137 HA GLU 21 HA GLU 21 -6.534 -16.888 -5.390 138 HB2 GLU 21 1HB GLU 21 -8.580 -17.060 -6.482 139 HB3 GLU 21 2HB GLU 21 -8.394 -15.322 -6.288 140 HG2 GLU 21 1HG GLU 21 -7.422 -15.321 -8.635 141 HG3 GLU 21 2HG GLU 21 -8.038 -16.967 -8.769 142 H GLY 22 H GLY 22 -5.107 -15.675 -8.310 143 HA2 GLY 22 1HA GLY 22 -4.920 -18.330 -9.502 144 HA3 GLY 22 2HA GLY 22 -4.383 -16.822 -10.227 145 H LYS 23 H LYS 23 -3.056 -16.306 -7.475 146 HA LYS 23 HA LYS 23 -0.882 -18.228 -7.526 147 HB2 LYS 23 1HB LYS 23 -0.560 -15.348 -8.336 148 HB3 LYS 23 2HB LYS 23 0.781 -16.261 -7.656 149 HG2 LYS 23 1HG LYS 23 0.365 -17.963 -9.487 150 HG3 LYS 23 2HG LYS 23 -0.691 -16.755 -10.225 151 HD2 LYS 23 1HD LYS 23 1.295 -16.287 -11.280 152 HD3 LYS 23 2HD LYS 23 1.397 -15.194 -9.897 153 HE2 LYS 23 1HE LYS 23 2.746 -16.852 -8.698 154 HE3 LYS 23 2HE LYS 23 2.647 -17.935 -10.086 155 HZ1 LYS 23 3HZ LYS 23 4.731 -16.728 -10.072 156 HZ2 LYS 23 1HZ LYS 23 3.912 -15.247 -10.071 157 HZ3 LYS 23 2HZ LYS 23 3.804 -16.272 -11.412 158 HA PRO 24 HA PRO 24 -1.235 -17.295 -3.207 159 HB2 PRO 24 1HB PRO 24 0.865 -18.804 -2.379 160 HB3 PRO 24 2HB PRO 24 -0.690 -19.499 -2.853 161 HG2 PRO 24 1HG PRO 24 1.841 -19.263 -4.435 162 HG3 PRO 24 2HG PRO 24 0.723 -20.634 -4.310 163 HD2 PRO 24 1HD PRO 24 0.715 -18.934 -6.418 164 HD3 PRO 24 2HD PRO 24 -0.759 -19.725 -5.823 165 H ARG 25 H ARG 25 1.998 -17.271 -4.710 166 HA ARG 25 HA ARG 25 3.156 -15.558 -2.768 167 HB2 ARG 25 1HB ARG 25 3.989 -16.286 -5.577 168 HB3 ARG 25 2HB ARG 25 4.957 -15.269 -4.519 169 HG2 ARG 25 1HG ARG 25 5.581 -17.001 -3.188 170 HG3 ARG 25 2HG ARG 25 4.088 -17.900 -3.469 171 HD2 ARG 25 1HD ARG 25 5.927 -17.499 -5.767 172 HD3 ARG 25 2HD ARG 25 6.406 -18.649 -4.519 173 HE ARG 25 HE ARG 25 3.719 -19.038 -5.437 174 HH11 ARG 25 1HH1 ARG 25 7.070 -19.727 -6.079 175 HH12 ARG 25 2HH1 ARG 25 6.736 -21.170 -6.978 176 HH21 ARG 25 1HH2 ARG 25 3.266 -20.935 -6.619 177 HH22 ARG 25 2HH2 ARG 25 4.572 -21.856 -7.286 178 H ALA 26 H ALA 26 1.120 -14.998 -5.459 179 HA ALA 26 HA ALA 26 1.903 -12.203 -5.724 180 HB1 ALA 26 3HB ALA 26 -0.237 -13.747 -7.184 181 HB2 ALA 26 1HB ALA 26 0.333 -12.124 -7.574 182 HB3 ALA 26 2HB ALA 26 1.416 -13.506 -7.748 183 H VAL 27 H VAL 27 0.372 -10.477 -5.499 184 HA VAL 27 HA VAL 27 -2.095 -11.021 -4.063 185 HB VAL 27 HB VAL 27 -1.601 -9.547 -2.201 186 HG11 VAL 27 1HG1 VAL 27 0.219 -10.911 -1.105 187 HG12 VAL 27 2HG1 VAL 27 -1.140 -11.828 -1.757 188 HG13 VAL 27 3HG1 VAL 27 0.387 -11.764 -2.639 189 HG21 VAL 27 3HG2 VAL 27 0.282 -8.284 -1.959 190 HG22 VAL 27 1HG2 VAL 27 1.291 -9.417 -2.858 191 HG23 VAL 27 2HG2 VAL 27 0.202 -8.330 -3.720 192 H ILE 28 H ILE 28 -3.425 -9.075 -3.796 193 HA ILE 28 HA ILE 28 -2.781 -7.022 -5.811 194 HB ILE 28 HB ILE 28 -5.579 -7.868 -5.085 195 HG12 ILE 28 1HG1 ILE 28 -4.396 -9.799 -6.038 196 HG13 ILE 28 2HG1 ILE 28 -5.608 -9.184 -7.156 197 HG21 ILE 28 1HG2 ILE 28 -6.046 -6.009 -6.222 198 HG22 ILE 28 2HG2 ILE 28 -4.387 -5.849 -6.794 199 HG23 ILE 28 3HG2 ILE 28 -5.524 -6.880 -7.663 200 HD11 ILE 28 3HD1 ILE 28 -3.248 -7.838 -7.796 201 HD12 ILE 28 1HD1 ILE 28 -2.787 -9.518 -7.526 202 HD13 ILE 28 2HD1 ILE 28 -4.036 -9.126 -8.707 203 H VAL 29 H VAL 29 -1.989 -5.470 -4.443 204 HA VAL 29 HA VAL 29 -3.389 -4.737 -2.029 205 HB VAL 29 HB VAL 29 -1.042 -3.423 -3.406 206 HG11 VAL 29 1HG1 VAL 29 -2.735 -2.385 -1.428 207 HG12 VAL 29 2HG1 VAL 29 -1.261 -2.881 -0.594 208 HG13 VAL 29 3HG1 VAL 29 -1.173 -1.753 -1.947 209 HG21 VAL 29 3HG2 VAL 29 -0.507 -5.655 -2.637 210 HG22 VAL 29 1HG2 VAL 29 0.270 -4.465 -1.593 211 HG23 VAL 29 2HG2 VAL 29 -1.183 -5.301 -1.047 212 H SER 30 H SER 30 -5.222 -3.622 -2.153 213 HA SER 30 HA SER 30 -5.556 -1.647 -4.296 214 HB2 SER 30 1HB SER 30 -7.892 -1.858 -4.019 215 HB3 SER 30 2HB SER 30 -7.278 -3.503 -3.849 216 HG SER 30 HG SER 30 -8.104 -3.521 -1.930 217 H TRP 31 H TRP 31 -6.945 0.297 -3.608 218 HA TRP 31 HA TRP 31 -6.897 1.233 -0.955 219 HB2 TRP 31 1HB TRP 31 -5.134 2.922 -1.092 220 HB3 TRP 31 2HB TRP 31 -4.463 1.309 -1.320 221 HD1 TRP 31 HD TRP 31 -5.230 4.529 -3.265 222 HE1 TRP 31 1HE TRP 31 -3.845 4.520 -5.434 223 HE3 TRP 31 3HE TRP 31 -3.307 -0.199 -2.979 224 HZ2 TRP 31 2HZ TRP 31 -2.161 2.742 -6.839 225 HZ3 TRP 31 3HZ TRP 31 -1.818 -0.977 -4.777 226 HH2 TRP 31 HH TRP 31 -1.259 0.465 -6.666 227 H GLN 32 H GLN 32 -7.118 3.778 -0.985 228 HA GLN 32 HA GLN 32 -8.672 4.562 -3.355 229 HB2 GLN 32 1HB GLN 32 -9.516 4.480 -0.507 230 HB3 GLN 32 2HB GLN 32 -10.046 5.860 -1.460 231 HG2 GLN 32 1HG GLN 32 -11.496 3.683 -1.284 232 HG3 GLN 32 2HG GLN 32 -11.408 4.608 -2.782 233 HE21 GLN 32 1HE2 GLN 32 -10.888 3.553 -4.563 234 HE22 GLN 32 2HE2 GLN 32 -10.167 1.984 -4.636 235 HA PRO 33 HA PRO 33 -6.478 8.360 -3.273 236 HB2 PRO 33 1HB PRO 33 -8.371 10.116 -4.112 237 HB3 PRO 33 2HB PRO 33 -7.614 8.934 -5.186 238 HG2 PRO 33 1HG PRO 33 -10.267 8.812 -3.805 239 HG3 PRO 33 2HG PRO 33 -9.851 8.365 -5.470 240 HD2 PRO 33 1HD PRO 33 -10.139 6.532 -3.498 241 HD3 PRO 33 2HD PRO 33 -8.997 6.318 -4.841 242 HA PRO 34 HA PRO 34 -7.303 10.119 0.721 243 HB2 PRO 34 1HB PRO 34 -5.377 12.031 0.639 244 HB3 PRO 34 2HB PRO 34 -5.023 10.322 0.923 245 HG2 PRO 34 1HG PRO 34 -4.808 11.906 -1.608 246 HG3 PRO 34 2HG PRO 34 -3.684 10.710 -0.938 247 HD2 PRO 34 1HD PRO 34 -5.427 10.118 -2.923 248 HD3 PRO 34 2HD PRO 34 -4.925 8.926 -1.707 249 H LEU 35 H LEU 35 -8.440 11.829 1.536 250 HA LEU 35 HA LEU 35 -9.899 13.460 -0.253 251 HB2 LEU 35 1HB LEU 35 -9.647 13.203 2.689 252 HB3 LEU 35 2HB LEU 35 -10.327 14.705 2.065 253 HG LEU 35 HG LEU 35 -12.092 13.163 2.672 254 HD11 LEU 35 1HD1 LEU 35 -11.802 14.426 0.194 255 HD12 LEU 35 2HD1 LEU 35 -13.301 13.928 0.978 256 HD13 LEU 35 3HD1 LEU 35 -12.495 12.842 -0.154 257 HD21 LEU 35 3HD2 LEU 35 -10.860 11.073 2.416 258 HD22 LEU 35 1HD2 LEU 35 -10.846 11.287 0.665 259 HD23 LEU 35 2HD2 LEU 35 -12.374 11.032 1.510 260 H GLU 36 H GLU 36 -7.274 14.210 2.028 261 HA GLU 36 HA GLU 36 -7.108 16.943 1.138 262 HB2 GLU 36 1HB GLU 36 -5.136 15.414 2.840 263 HB3 GLU 36 2HB GLU 36 -5.286 17.160 2.704 264 HG2 GLU 36 1HG GLU 36 -7.566 16.972 3.683 265 HG3 GLU 36 2HG GLU 36 -7.252 15.259 3.955 266 H ALA 37 H ALA 37 -6.866 15.345 -1.062 267 HA ALA 37 HA ALA 37 -4.171 14.742 -1.744 268 HB1 ALA 37 3HB ALA 37 -6.279 15.283 -3.795 269 HB2 ALA 37 1HB ALA 37 -4.976 14.095 -3.814 270 HB3 ALA 37 2HB ALA 37 -6.378 13.850 -2.771 271 H ASN 38 H ASN 38 -5.775 17.659 -1.404 272 HA ASN 38 HA ASN 38 -5.414 19.797 -2.130 273 HB2 ASN 38 1HB ASN 38 -2.643 18.638 -1.905 274 HB3 ASN 38 2HB ASN 38 -2.902 20.328 -2.329 275 HD21 ASN 38 1HD2 ASN 38 -2.135 18.426 0.137 276 HD22 ASN 38 2HD2 ASN 38 -2.805 19.318 1.457 277 H GLY 39 H GLY 39 -5.962 17.818 -4.222 278 HA2 GLY 39 1HA GLY 39 -6.020 19.175 -6.496 279 HA3 GLY 39 2HA GLY 39 -4.325 18.710 -6.469 280 H LYS 40 H LYS 40 -4.440 17.412 -8.283 281 HA LYS 40 HA LYS 40 -6.095 14.988 -8.012 282 HB2 LYS 40 1HB LYS 40 -6.829 16.206 -9.931 283 HB3 LYS 40 2HB LYS 40 -5.177 16.470 -10.474 284 HG2 LYS 40 1HG LYS 40 -5.122 13.849 -10.559 285 HG3 LYS 40 2HG LYS 40 -6.874 14.035 -10.668 286 HD2 LYS 40 1HD LYS 40 -6.515 15.601 -12.578 287 HD3 LYS 40 2HD LYS 40 -4.795 15.206 -12.515 288 HE2 LYS 40 1HE LYS 40 -5.191 12.958 -13.115 289 HE3 LYS 40 2HE LYS 40 -6.922 13.101 -12.809 290 HZ1 LYS 40 3HZ LYS 40 -6.132 14.996 -14.746 291 HZ2 LYS 40 1HZ LYS 40 -7.237 13.724 -14.895 292 HZ3 LYS 40 2HZ LYS 40 -5.598 13.462 -15.217 293 H ILE 41 H ILE 41 -4.864 13.373 -7.298 294 HA ILE 41 HA ILE 41 -2.144 13.150 -7.255 295 HB ILE 41 HB ILE 41 -3.997 10.807 -7.692 296 HG12 ILE 41 1HG1 ILE 41 -4.878 12.117 -5.871 297 HG13 ILE 41 2HG1 ILE 41 -4.065 10.711 -5.191 298 HG21 ILE 41 1HG2 ILE 41 -1.791 10.415 -5.874 299 HG22 ILE 41 2HG2 ILE 41 -2.245 9.495 -7.307 300 HG23 ILE 41 3HG2 ILE 41 -1.226 10.926 -7.464 301 HD11 ILE 41 3HD1 ILE 41 -2.045 12.465 -5.134 302 HD12 ILE 41 1HD1 ILE 41 -3.408 13.572 -4.977 303 HD13 ILE 41 2HD1 ILE 41 -3.197 12.262 -3.815 304 H THR 42 H THR 42 -0.543 12.358 -8.570 305 HA THR 42 HA THR 42 -1.304 11.864 -11.375 306 HB THR 42 HB THR 42 0.935 12.728 -12.004 307 HG1 THR 42 1HG THR 42 1.171 13.824 -9.414 308 HG21 THR 42 3HG2 THR 42 0.430 15.077 -11.688 309 HG22 THR 42 1HG2 THR 42 -0.672 14.693 -10.367 310 HG23 THR 42 2HG2 THR 42 -1.061 14.193 -12.013 311 H ALA 43 H ALA 43 0.327 10.674 -8.605 312 HA ALA 43 HA ALA 43 0.866 8.171 -9.930 313 HB1 ALA 43 3HB ALA 43 3.218 9.579 -8.692 314 HB2 ALA 43 1HB ALA 43 3.209 8.088 -9.635 315 HB3 ALA 43 2HB ALA 43 2.869 9.631 -10.420 316 H TYR 44 H TYR 44 1.414 6.470 -8.453 317 HA TYR 44 HA TYR 44 0.953 7.139 -5.623 318 HB2 TYR 44 1HB TYR 44 -0.314 4.967 -7.278 319 HB3 TYR 44 2HB TYR 44 -0.223 4.852 -5.524 320 HD1 TYR 44 2HD TYR 44 -0.954 7.263 -4.391 321 HD2 TYR 44 1HD TYR 44 -2.359 5.652 -8.069 322 HE1 TYR 44 2HE TYR 44 -3.001 8.612 -4.192 323 HE2 TYR 44 1HE TYR 44 -4.410 6.998 -7.882 324 HH TYR 44 HH TYR 44 -5.733 8.109 -6.174 325 H ILE 45 H ILE 45 2.607 6.551 -4.403 326 HA ILE 45 HA ILE 45 4.392 4.422 -5.358 327 HB ILE 45 HB ILE 45 4.972 6.397 -3.156 328 HG12 ILE 45 1HG1 ILE 45 6.437 7.430 -5.054 329 HG13 ILE 45 2HG1 ILE 45 5.305 6.621 -6.131 330 HG21 ILE 45 1HG2 ILE 45 6.312 4.318 -3.230 331 HG22 ILE 45 2HG2 ILE 45 6.822 4.741 -4.864 332 HG23 ILE 45 3HG2 ILE 45 7.273 5.771 -3.505 333 HD11 ILE 45 3HD1 ILE 45 3.533 7.948 -5.471 334 HD12 ILE 45 1HD1 ILE 45 4.308 8.406 -3.955 335 HD13 ILE 45 2HD1 ILE 45 4.889 9.075 -5.481 336 H LEU 46 H LEU 46 4.180 2.492 -4.457 337 HA LEU 46 HA LEU 46 3.041 2.305 -1.752 338 HB2 LEU 46 1HB LEU 46 1.683 1.084 -3.204 339 HB3 LEU 46 2HB LEU 46 3.059 0.449 -4.103 340 HG LEU 46 HG LEU 46 3.580 -0.767 -1.835 341 HD11 LEU 46 1HD1 LEU 46 0.655 -0.102 -1.621 342 HD12 LEU 46 2HD1 LEU 46 1.931 0.194 -0.440 343 HD13 LEU 46 3HD1 LEU 46 1.401 -1.455 -0.771 344 HD21 LEU 46 3HD2 LEU 46 1.722 -1.454 -4.046 345 HD22 LEU 46 1HD2 LEU 46 1.775 -2.530 -2.649 346 HD23 LEU 46 2HD2 LEU 46 3.245 -2.206 -3.568 347 H PHE 47 H PHE 47 4.010 1.013 -0.185 348 HA PHE 47 HA PHE 47 6.703 0.008 -0.806 349 HB2 PHE 47 1HB PHE 47 5.994 1.467 1.744 350 HB3 PHE 47 2HB PHE 47 7.589 0.920 1.236 351 HD1 PHE 47 1HD PHE 47 4.823 3.041 -0.103 352 HD2 PHE 47 2HD PHE 47 9.011 2.531 0.453 353 HE1 PHE 47 1HE PHE 47 5.226 5.223 -1.165 354 HE2 PHE 47 2HE PHE 47 9.421 4.713 -0.606 355 HZ PHE 47 HZ PHE 47 7.528 6.063 -1.417 356 H TYR 48 H TYR 48 7.112 -1.987 -0.078 357 HA TYR 48 HA TYR 48 5.501 -3.079 2.109 358 HB2 TYR 48 1HB TYR 48 5.062 -5.141 0.868 359 HB3 TYR 48 2HB TYR 48 4.380 -3.754 0.026 360 HD1 TYR 48 1HD TYR 48 7.056 -6.279 -0.020 361 HD2 TYR 48 2HD TYR 48 5.196 -3.089 -2.132 362 HE1 TYR 48 1HE TYR 48 8.267 -6.931 -2.059 363 HE2 TYR 48 2HE TYR 48 6.400 -3.733 -4.178 364 HH TYR 48 HH TYR 48 8.722 -6.418 -4.174 365 H THR 49 H THR 49 6.519 -4.632 3.339 366 HA THR 49 HA THR 49 8.972 -5.871 2.557 367 HB THR 49 HB THR 49 9.655 -3.482 3.164 368 HG1 THR 49 1HG THR 49 11.362 -4.509 4.685 369 HG21 THR 49 3HG2 THR 49 9.279 -4.480 5.982 370 HG22 THR 49 1HG2 THR 49 8.132 -3.410 5.178 371 HG23 THR 49 2HG2 THR 49 9.788 -2.875 5.459 372 H LEU 50 H LEU 50 9.877 -7.229 4.290 373 HA LEU 50 HA LEU 50 7.728 -8.221 6.006 374 HB2 LEU 50 1HB LEU 50 9.347 -10.147 6.339 375 HB3 LEU 50 2HB LEU 50 8.651 -9.949 4.732 376 HG LEU 50 HG LEU 50 10.758 -8.894 3.987 377 HD11 LEU 50 1HD1 LEU 50 11.450 -9.303 6.849 378 HD12 LEU 50 2HD1 LEU 50 11.834 -7.961 5.771 379 HD13 LEU 50 3HD1 LEU 50 12.722 -9.478 5.639 380 HD21 LEU 50 3HD2 LEU 50 11.235 -10.953 3.315 381 HD22 LEU 50 1HD2 LEU 50 10.299 -11.631 4.646 382 HD23 LEU 50 2HD2 LEU 50 12.010 -11.266 4.868 383 H ASP 51 H ASP 51 10.487 -6.297 6.192 384 HA ASP 51 HA ASP 51 10.600 -6.669 9.113 385 HB2 ASP 51 1HB ASP 51 12.831 -6.236 7.142 386 HB3 ASP 51 2HB ASP 51 13.018 -5.793 8.837 387 H LYS 52 H LYS 52 9.854 -4.957 10.153 388 HA LYS 52 HA LYS 52 9.629 -2.398 8.809 389 HB2 LYS 52 1HB LYS 52 8.299 -1.714 10.699 390 HB3 LYS 52 2HB LYS 52 7.779 -3.317 10.196 391 HG2 LYS 52 1HG LYS 52 9.227 -4.255 12.013 392 HG3 LYS 52 2HG LYS 52 9.472 -2.599 12.575 393 HD2 LYS 52 1HD LYS 52 7.047 -2.350 12.861 394 HD3 LYS 52 2HD LYS 52 6.816 -4.013 12.319 395 HE2 LYS 52 1HE LYS 52 8.138 -4.813 14.215 396 HE3 LYS 52 2HE LYS 52 8.380 -3.151 14.752 397 HZ1 LYS 52 3HZ LYS 52 6.358 -3.079 15.665 398 HZ2 LYS 52 1HZ LYS 52 6.383 -4.768 15.568 399 HZ3 LYS 52 2HZ LYS 52 5.617 -3.863 14.362 400 H ASN 53 H ASN 53 11.582 -3.906 11.265 401 HA ASN 53 HA ASN 53 12.612 -1.868 12.725 402 HB2 ASN 53 1HB ASN 53 14.528 -3.831 11.512 403 HB3 ASN 53 2HB ASN 53 14.471 -3.206 13.157 404 HD21 ASN 53 1HD2 ASN 53 14.518 -5.964 12.037 405 HD22 ASN 53 2HD2 ASN 53 13.171 -6.762 12.767 406 H ILE 54 H ILE 54 13.088 -2.430 9.332 407 HA ILE 54 HA ILE 54 15.261 -0.526 9.116 408 HB ILE 54 HB ILE 54 14.908 -0.903 6.620 409 HG12 ILE 54 1HG1 ILE 54 13.210 -3.201 7.607 410 HG13 ILE 54 2HG1 ILE 54 12.546 -1.726 6.913 411 HG21 ILE 54 1HG2 ILE 54 15.483 -3.416 8.165 412 HG22 ILE 54 2HG2 ILE 54 16.184 -2.886 6.637 413 HG23 ILE 54 3HG2 ILE 54 16.590 -2.044 8.133 414 HD11 ILE 54 3HD1 ILE 54 13.889 -4.002 5.612 415 HD12 ILE 54 1HD1 ILE 54 12.580 -2.969 5.037 416 HD13 ILE 54 2HD1 ILE 54 14.249 -2.401 4.965 417 HA PRO 55 HA PRO 55 12.902 3.089 8.312 418 HB2 PRO 55 1HB PRO 55 14.472 4.357 6.496 419 HB3 PRO 55 2HB PRO 55 14.897 4.225 8.207 420 HG2 PRO 55 1HG PRO 55 15.854 2.594 5.886 421 HG3 PRO 55 2HG PRO 55 16.780 3.257 7.246 422 HD2 PRO 55 1HD PRO 55 15.995 0.667 7.141 423 HD3 PRO 55 2HD PRO 55 16.143 1.559 8.669 424 H ILE 56 H ILE 56 11.247 3.699 7.032 425 HA ILE 56 HA ILE 56 10.131 2.207 5.087 426 HB ILE 56 HB ILE 56 9.081 4.221 6.071 427 HG12 ILE 56 1HG1 ILE 56 7.966 4.992 3.930 428 HG13 ILE 56 2HG1 ILE 56 9.112 3.979 3.059 429 HG21 ILE 56 1HG2 ILE 56 9.554 6.414 5.274 430 HG22 ILE 56 2HG2 ILE 56 11.090 5.682 5.738 431 HG23 ILE 56 3HG2 ILE 56 10.644 5.794 4.035 432 HD11 ILE 56 3HD1 ILE 56 6.669 3.264 4.411 433 HD12 ILE 56 1HD1 ILE 56 7.639 2.340 3.263 434 HD13 ILE 56 2HD1 ILE 56 8.033 2.303 4.982 435 H ASP 57 H ASP 57 12.884 4.286 4.717 436 HA ASP 57 HA ASP 57 12.843 4.494 1.887 437 HB2 ASP 57 1HB ASP 57 14.923 4.924 4.004 438 HB3 ASP 57 2HB ASP 57 15.390 4.924 2.306 439 H ASP 58 H ASP 58 14.510 2.302 4.125 440 HA ASP 58 HA ASP 58 15.916 0.843 2.169 441 HB2 ASP 58 1HB ASP 58 16.060 0.885 4.822 442 HB3 ASP 58 2HB ASP 58 15.003 -0.515 4.663 443 H TRP 59 H TRP 59 12.622 0.758 3.205 444 HA TRP 59 HA TRP 59 11.888 -1.842 2.526 445 HB2 TRP 59 1HB TRP 59 10.276 0.710 2.305 446 HB3 TRP 59 2HB TRP 59 9.602 -0.916 2.222 447 HD1 TRP 59 HD TRP 59 12.326 -0.244 4.784 448 HE1 TRP 59 1HE TRP 59 11.296 -0.316 7.142 449 HE3 TRP 59 3HE TRP 59 7.382 -0.461 3.502 450 HZ2 TRP 59 2HZ TRP 59 8.726 -0.448 8.304 451 HZ3 TRP 59 3HZ TRP 59 5.702 -0.558 5.296 452 HH2 TRP 59 HH TRP 59 6.362 -0.553 7.647 453 H ILE 60 H ILE 60 10.102 -2.043 0.622 454 HA ILE 60 HA ILE 60 11.619 -1.490 -1.826 455 HB ILE 60 HB ILE 60 9.367 -3.443 -1.338 456 HG12 ILE 60 1HG1 ILE 60 12.184 -4.176 -2.054 457 HG13 ILE 60 2HG1 ILE 60 11.780 -3.803 -0.382 458 HG21 ILE 60 1HG2 ILE 60 10.004 -2.285 -3.723 459 HG22 ILE 60 2HG2 ILE 60 10.999 -3.740 -3.748 460 HG23 ILE 60 3HG2 ILE 60 9.253 -3.869 -3.535 461 HD11 ILE 60 3HD1 ILE 60 10.083 -5.567 -0.414 462 HD12 ILE 60 1HD1 ILE 60 10.531 -5.953 -2.075 463 HD13 ILE 60 2HD1 ILE 60 11.696 -6.185 -0.771 464 H MET 61 H MET 61 11.026 0.502 -2.519 465 HA MET 61 HA MET 61 8.280 1.375 -2.453 466 HB2 MET 61 1HB MET 61 10.109 2.972 -2.105 467 HB3 MET 61 2HB MET 61 10.715 2.641 -3.722 468 HG2 MET 61 1HG MET 61 8.161 3.342 -4.270 469 HG3 MET 61 2HG MET 61 8.484 4.328 -2.846 470 HE1 MET 61 3HE MET 61 11.163 4.376 -6.579 471 HE2 MET 61 1HE MET 61 10.615 2.955 -5.689 472 HE3 MET 61 2HE MET 61 9.497 3.819 -6.745 473 H GLU 62 H GLU 62 6.855 1.498 -4.124 474 HA GLU 62 HA GLU 62 7.763 0.587 -6.767 475 HB2 GLU 62 1HB GLU 62 5.608 -0.544 -5.052 476 HB3 GLU 62 2HB GLU 62 5.315 -0.466 -6.784 477 HG2 GLU 62 1HG GLU 62 7.433 -1.987 -5.313 478 HG3 GLU 62 2HG GLU 62 6.195 -2.595 -6.410 479 H THR 63 H THR 63 7.159 1.889 -8.366 480 HA THR 63 HA THR 63 5.397 4.117 -7.795 481 HB THR 63 HB THR 63 6.850 3.453 -10.363 482 HG1 THR 63 1HG THR 63 8.101 5.394 -9.357 483 HG21 THR 63 3HG2 THR 63 6.097 5.398 -11.229 484 HG22 THR 63 1HG2 THR 63 6.173 6.237 -9.680 485 HG23 THR 63 2HG2 THR 63 4.797 5.199 -10.055 486 H ILE 64 H ILE 64 3.362 4.387 -8.516 487 HA ILE 64 HA ILE 64 2.299 2.431 -10.441 488 HB ILE 64 HB ILE 64 0.693 3.458 -8.110 489 HG12 ILE 64 1HG1 ILE 64 1.748 0.667 -8.159 490 HG13 ILE 64 2HG1 ILE 64 2.833 1.955 -7.646 491 HG21 ILE 64 1HG2 ILE 64 -0.848 2.673 -9.594 492 HG22 ILE 64 2HG2 ILE 64 0.274 1.524 -10.321 493 HG23 ILE 64 3HG2 ILE 64 -0.465 1.167 -8.761 494 HD11 ILE 64 3HD1 ILE 64 0.144 1.863 -6.413 495 HD12 ILE 64 1HD1 ILE 64 1.307 0.621 -5.948 496 HD13 ILE 64 2HD1 ILE 64 1.698 2.326 -5.720 497 H SER 65 H SER 65 0.482 3.147 -11.676 498 HA SER 65 HA SER 65 0.683 5.866 -12.485 499 HB2 SER 65 1HB SER 65 -0.934 3.503 -13.298 500 HB3 SER 65 2HB SER 65 -1.549 5.095 -13.744 501 HG SER 65 HG SER 65 1.082 4.181 -14.293 502 H GLY 66 H GLY 66 -0.331 7.598 -11.718 503 HA2 GLY 66 1HA GLY 66 -1.863 7.687 -9.445 504 HA3 GLY 66 2HA GLY 66 -1.919 8.917 -10.700 505 H ASP 67 H ASP 67 -2.905 6.852 -12.648 506 HA ASP 67 HA ASP 67 -5.689 7.306 -12.222 507 HB2 ASP 67 1HB ASP 67 -4.372 7.056 -14.456 508 HB3 ASP 67 2HB ASP 67 -4.624 5.330 -14.216 509 H ARG 68 H ARG 68 -3.543 4.533 -11.872 510 HA ARG 68 HA ARG 68 -5.700 2.731 -11.225 511 HB2 ARG 68 1HB ARG 68 -2.708 2.369 -10.980 512 HB3 ARG 68 2HB ARG 68 -3.909 1.097 -10.805 513 HG2 ARG 68 1HG ARG 68 -4.627 1.685 -13.181 514 HG3 ARG 68 2HG ARG 68 -3.115 2.591 -13.279 515 HD2 ARG 68 1HD ARG 68 -2.388 0.582 -14.069 516 HD3 ARG 68 2HD ARG 68 -2.125 0.319 -12.345 517 HE ARG 68 HE ARG 68 -4.728 -0.508 -13.100 518 HH11 ARG 68 1HH1 ARG 68 -1.379 -1.440 -13.294 519 HH12 ARG 68 2HH1 ARG 68 -1.722 -3.136 -13.393 520 HH21 ARG 68 1HH2 ARG 68 -5.192 -2.738 -13.229 521 HH22 ARG 68 2HH2 ARG 68 -3.891 -3.873 -13.356 522 H LEU 69 H LEU 69 -5.947 1.660 -9.190 523 HA LEU 69 HA LEU 69 -4.872 3.168 -6.900 524 HB2 LEU 69 1HB LEU 69 -7.659 2.080 -7.259 525 HB3 LEU 69 2HB LEU 69 -7.030 2.737 -5.749 526 HG LEU 69 HG LEU 69 -7.222 4.348 -8.287 527 HD11 LEU 69 1HD1 LEU 69 -9.285 3.644 -6.295 528 HD12 LEU 69 2HD1 LEU 69 -9.447 4.093 -7.992 529 HD13 LEU 69 3HD1 LEU 69 -9.192 5.339 -6.772 530 HD21 LEU 69 3HD2 LEU 69 -6.015 5.774 -7.078 531 HD22 LEU 69 1HD2 LEU 69 -6.187 4.796 -5.620 532 HD23 LEU 69 2HD2 LEU 69 -7.433 5.969 -6.046 533 H THR 70 H THR 70 -4.360 0.477 -8.354 534 HA THR 70 HA THR 70 -4.152 -1.089 -5.878 535 HB THR 70 HB THR 70 -4.967 -3.066 -6.815 536 HG1 THR 70 1HG THR 70 -4.326 -1.825 -9.240 537 HG21 THR 70 3HG2 THR 70 -6.712 -1.050 -8.212 538 HG22 THR 70 1HG2 THR 70 -6.707 -1.240 -6.459 539 HG23 THR 70 2HG2 THR 70 -7.180 -2.590 -7.490 540 H HIS 71 H HIS 71 -2.548 -2.845 -6.027 541 HA HIS 71 HA HIS 71 -0.575 -2.597 -8.152 542 HB2 HIS 71 1HB HIS 71 0.248 -0.948 -6.612 543 HB3 HIS 71 2HB HIS 71 0.037 -2.040 -5.246 544 HD1 HIS 71 1HD HIS 71 2.271 -1.415 -8.201 545 HD2 HIS 71 2HD HIS 71 2.117 -3.825 -4.820 546 HE1 HIS 71 1HE HIS 71 4.540 -2.487 -8.035 547 HE2 HIS 71 2HE HIS 71 4.395 -4.006 -6.032 548 H GLN 72 H GLN 72 0.112 -4.550 -8.723 549 HA GLN 72 HA GLN 72 -0.401 -6.795 -6.914 550 HB2 GLN 72 1HB GLN 72 -1.305 -6.833 -9.250 551 HB3 GLN 72 2HB GLN 72 0.352 -6.874 -9.838 552 HG2 GLN 72 1HG GLN 72 -0.478 -8.931 -7.869 553 HG3 GLN 72 2HG GLN 72 -1.076 -9.067 -9.522 554 HE21 GLN 72 1HE2 GLN 72 0.104 -10.365 -10.710 555 HE22 GLN 72 2HE2 GLN 72 1.816 -10.574 -10.611 556 H ILE 73 H ILE 73 1.183 -7.983 -6.028 557 HA ILE 73 HA ILE 73 3.953 -7.357 -6.817 558 HB ILE 73 HB ILE 73 2.992 -8.270 -4.104 559 HG12 ILE 73 1HG1 ILE 73 4.157 -5.567 -4.659 560 HG13 ILE 73 2HG1 ILE 73 2.453 -5.855 -4.996 561 HG21 ILE 73 1HG2 ILE 73 5.273 -7.735 -3.380 562 HG22 ILE 73 2HG2 ILE 73 5.254 -9.000 -4.607 563 HG23 ILE 73 3HG2 ILE 73 5.705 -7.354 -5.047 564 HD11 ILE 73 3HD1 ILE 73 1.932 -5.647 -2.858 565 HD12 ILE 73 1HD1 ILE 73 3.154 -6.825 -2.381 566 HD13 ILE 73 2HD1 ILE 73 3.592 -5.127 -2.570 567 H MET 74 H MET 74 5.495 -9.061 -6.758 568 HA MET 74 HA MET 74 4.377 -11.776 -6.684 569 HB2 MET 74 1HB MET 74 6.140 -10.628 -8.852 570 HB3 MET 74 2HB MET 74 5.794 -12.343 -8.669 571 HG2 MET 74 1HG MET 74 3.301 -11.493 -8.749 572 HG3 MET 74 2HG MET 74 4.040 -10.137 -9.597 573 HE1 MET 74 3HE MET 74 5.510 -10.917 -12.402 574 HE2 MET 74 1HE MET 74 3.826 -11.015 -12.918 575 HE3 MET 74 2HE MET 74 4.290 -9.903 -11.630 576 H ASP 75 H ASP 75 6.181 -13.448 -6.686 577 HA ASP 75 HA ASP 75 7.934 -14.379 -5.572 578 HB2 ASP 75 1HB ASP 75 9.048 -11.756 -6.503 579 HB3 ASP 75 2HB ASP 75 10.021 -12.800 -5.470 580 H LEU 76 H LEU 76 6.111 -13.721 -3.813 581 HA LEU 76 HA LEU 76 7.422 -12.148 -1.707 582 HB2 LEU 76 1HB LEU 76 4.577 -12.868 -2.278 583 HB3 LEU 76 2HB LEU 76 5.066 -12.431 -0.642 584 HG LEU 76 HG LEU 76 5.267 -10.686 -3.096 585 HD11 LEU 76 1HD1 LEU 76 3.249 -11.053 -1.003 586 HD12 LEU 76 2HD1 LEU 76 3.104 -10.355 -2.615 587 HD13 LEU 76 3HD1 LEU 76 3.724 -9.378 -1.284 588 HD21 LEU 76 3HD2 LEU 76 5.798 -8.949 -1.274 589 HD22 LEU 76 1HD2 LEU 76 7.083 -10.043 -1.789 590 HD23 LEU 76 2HD2 LEU 76 6.225 -10.340 -0.276 591 H ASN 77 H ASN 77 7.770 -12.990 0.332 592 HA ASN 77 HA ASN 77 8.474 -15.659 0.564 593 HB2 ASN 77 1HB ASN 77 7.999 -13.443 2.494 594 HB3 ASN 77 2HB ASN 77 8.087 -15.077 3.145 595 HD21 ASN 77 1HD2 ASN 77 9.948 -13.611 4.100 596 HD22 ASN 77 2HD2 ASN 77 11.479 -13.845 3.333 597 H LEU 78 H LEU 78 7.556 -17.278 2.092 598 HA LEU 78 HA LEU 78 4.635 -17.384 1.777 599 HB2 LEU 78 1HB LEU 78 6.680 -19.564 2.136 600 HB3 LEU 78 2HB LEU 78 4.940 -19.840 2.159 601 HG LEU 78 HG LEU 78 5.890 -20.453 0.009 602 HD11 LEU 78 1HD1 LEU 78 4.550 -18.096 -0.961 603 HD12 LEU 78 2HD1 LEU 78 3.708 -18.769 0.434 604 HD13 LEU 78 3HD1 LEU 78 4.021 -19.778 -0.978 605 HD21 LEU 78 3HD2 LEU 78 7.640 -18.430 0.360 606 HD22 LEU 78 1HD2 LEU 78 6.508 -17.680 -0.766 607 HD23 LEU 78 2HD2 LEU 78 7.312 -19.189 -1.199 608 H ASP 79 H ASP 79 3.304 -17.848 3.499 609 HA ASP 79 HA ASP 79 2.625 -17.581 5.670 610 HB2 ASP 79 1HB ASP 79 3.544 -19.252 7.198 611 HB3 ASP 79 2HB ASP 79 3.281 -19.955 5.604 612 H THR 80 H THR 80 4.220 -15.466 4.931 613 HA THR 80 HA THR 80 5.643 -14.895 7.444 614 HB THR 80 HB THR 80 6.525 -13.973 4.702 615 HG1 THR 80 1HG THR 80 6.980 -16.197 5.100 616 HG21 THR 80 3HG2 THR 80 8.454 -13.053 5.832 617 HG22 THR 80 1HG2 THR 80 7.880 -13.663 7.383 618 HG23 THR 80 2HG2 THR 80 6.990 -12.387 6.553 619 H MET 81 H MET 81 5.406 -12.842 8.279 620 HA MET 81 HA MET 81 3.081 -11.398 7.421 621 HB2 MET 81 1HB MET 81 3.769 -11.692 9.817 622 HB3 MET 81 2HB MET 81 5.106 -10.591 9.512 623 HG2 MET 81 1HG MET 81 3.171 -9.513 10.592 624 HG3 MET 81 2HG MET 81 3.600 -8.792 9.042 625 HE1 MET 81 3HE MET 81 -0.233 -10.893 10.243 626 HE2 MET 81 1HE MET 81 1.153 -11.973 10.092 627 HE3 MET 81 2HE MET 81 1.219 -10.604 11.202 628 H TYR 82 H TYR 82 2.983 -9.714 6.084 629 HA TYR 82 HA TYR 82 5.483 -8.287 5.451 630 HB2 TYR 82 1HB TYR 82 3.407 -9.451 3.668 631 HB3 TYR 82 2HB TYR 82 4.105 -7.908 3.188 632 HD1 TYR 82 1HD TYR 82 6.800 -7.884 3.458 633 HD2 TYR 82 2HD TYR 82 4.398 -11.332 2.791 634 HE1 TYR 82 1HE TYR 82 8.749 -9.053 2.519 635 HE2 TYR 82 2HE TYR 82 6.341 -12.511 1.851 636 HH TYR 82 HH TYR 82 9.391 -11.677 2.298 637 H TYR 83 H TYR 83 5.424 -6.226 6.018 638 HA TYR 83 HA TYR 83 2.931 -4.952 6.714 639 HB2 TYR 83 1HB TYR 83 5.655 -3.658 6.632 640 HB3 TYR 83 2HB TYR 83 4.257 -3.175 7.585 641 HD1 TYR 83 1HD TYR 83 3.357 -5.407 9.014 642 HD2 TYR 83 2HD TYR 83 7.365 -4.472 7.935 643 HE1 TYR 83 1HE TYR 83 4.173 -6.754 10.903 644 HE2 TYR 83 2HE TYR 83 8.193 -5.818 9.821 645 HH TYR 83 HH TYR 83 5.981 -7.671 11.866 646 H PHE 84 H PHE 84 1.778 -3.583 5.509 647 HA PHE 84 HA PHE 84 2.884 -2.785 2.904 648 HB2 PHE 84 1HB PHE 84 0.062 -3.257 3.848 649 HB3 PHE 84 2HB PHE 84 0.406 -2.375 2.363 650 HD1 PHE 84 1HD PHE 84 1.479 -3.512 0.467 651 HD2 PHE 84 2HD PHE 84 0.304 -5.620 3.973 652 HE1 PHE 84 1HE PHE 84 1.652 -5.639 -0.758 653 HE2 PHE 84 2HE PHE 84 0.476 -7.750 2.754 654 HZ PHE 84 HZ PHE 84 1.151 -7.762 0.386 655 H ARG 85 H ARG 85 3.088 -0.687 2.373 656 HA ARG 85 HA ARG 85 1.695 1.365 3.885 657 HB2 ARG 85 1HB ARG 85 4.641 0.889 4.035 658 HB3 ARG 85 2HB ARG 85 4.050 2.545 4.062 659 HG2 ARG 85 1HG ARG 85 2.580 1.897 5.981 660 HG3 ARG 85 2HG ARG 85 3.419 0.345 6.010 661 HD2 ARG 85 1HD ARG 85 5.362 1.254 6.795 662 HD3 ARG 85 2HD ARG 85 5.064 2.816 6.033 663 HE ARG 85 HE ARG 85 3.149 2.626 7.967 664 HH11 ARG 85 1HH1 ARG 85 6.624 2.418 7.916 665 HH12 ARG 85 2HH1 ARG 85 6.815 3.036 9.523 666 HH21 ARG 85 1HH2 ARG 85 3.387 3.441 10.084 667 HH22 ARG 85 2HH2 ARG 85 4.973 3.617 10.756 668 H ILE 86 H ILE 86 0.783 2.464 2.275 669 HA ILE 86 HA ILE 86 2.451 3.167 -0.052 670 HB ILE 86 HB ILE 86 0.596 1.680 -0.660 671 HG12 ILE 86 1HG1 ILE 86 0.110 4.500 -1.639 672 HG13 ILE 86 2HG1 ILE 86 1.412 3.463 -2.213 673 HG21 ILE 86 1HG2 ILE 86 -1.374 1.853 0.344 674 HG22 ILE 86 2HG2 ILE 86 -0.854 3.334 1.146 675 HG23 ILE 86 3HG2 ILE 86 -1.626 3.414 -0.437 676 HD11 ILE 86 3HD1 ILE 86 -1.530 3.221 -2.654 677 HD12 ILE 86 1HD1 ILE 86 -0.216 3.210 -3.829 678 HD13 ILE 86 2HD1 ILE 86 -0.482 1.810 -2.790 679 H GLN 87 H GLN 87 1.915 5.231 -1.090 680 HA GLN 87 HA GLN 87 0.636 7.183 0.682 681 HB2 GLN 87 1HB GLN 87 2.453 8.741 0.497 682 HB3 GLN 87 2HB GLN 87 3.101 7.212 1.078 683 HG2 GLN 87 1HG GLN 87 3.718 6.716 -1.323 684 HG3 GLN 87 2HG GLN 87 3.338 8.403 -1.666 685 HE21 GLN 87 1HE2 GLN 87 4.285 9.323 0.923 686 HE22 GLN 87 2HE2 GLN 87 6.010 9.269 0.855 687 H ALA 88 H ALA 88 0.775 9.444 -0.599 688 HA ALA 88 HA ALA 88 -0.084 8.893 -3.364 689 HB1 ALA 88 3HB ALA 88 -1.753 10.682 -3.123 690 HB2 ALA 88 1HB ALA 88 -2.030 9.355 -1.995 691 HB3 ALA 88 2HB ALA 88 -1.301 10.858 -1.427 692 H ARG 89 H ARG 89 0.629 10.252 -4.940 693 HA ARG 89 HA ARG 89 2.192 12.603 -4.125 694 HB2 ARG 89 1HB ARG 89 3.901 11.052 -4.560 695 HB3 ARG 89 2HB ARG 89 3.043 10.354 -5.927 696 HG2 ARG 89 1HG ARG 89 3.418 12.425 -7.196 697 HG3 ARG 89 2HG ARG 89 4.328 13.075 -5.830 698 HD2 ARG 89 1HD ARG 89 6.030 11.450 -6.071 699 HD3 ARG 89 2HD ARG 89 5.051 10.486 -7.176 700 HE ARG 89 HE ARG 89 5.370 12.933 -8.397 701 HH11 ARG 89 1HH1 ARG 89 7.448 10.391 -7.241 702 HH12 ARG 89 2HH1 ARG 89 8.687 10.692 -8.415 703 HH21 ARG 89 1HH2 ARG 89 6.992 13.339 -9.947 704 HH22 ARG 89 2HH2 ARG 89 8.427 12.369 -9.953 705 H ASN 90 H ASN 90 1.659 14.390 -5.201 706 HA ASN 90 HA ASN 90 0.041 14.103 -7.642 707 HB2 ASN 90 1HB ASN 90 -0.579 16.553 -7.055 708 HB3 ASN 90 2HB ASN 90 -1.292 15.252 -6.107 709 HD21 ASN 90 1HD2 ASN 90 -1.646 16.806 -4.453 710 HD22 ASN 90 2HD2 ASN 90 -0.360 17.273 -3.398 711 H SER 91 H SER 91 0.229 16.085 -9.122 712 HA SER 91 HA SER 91 2.710 16.168 -10.297 713 HB2 SER 91 1HB SER 91 1.910 17.935 -11.647 714 HB3 SER 91 2HB SER 91 0.463 17.035 -11.194 715 HG SER 91 HG SER 91 0.622 19.504 -10.945 716 H LYS 92 H LYS 92 1.718 17.700 -7.421 717 HA LYS 92 HA LYS 92 3.792 19.736 -7.506 718 HB2 LYS 92 1HB LYS 92 2.085 19.082 -5.118 719 HB3 LYS 92 2HB LYS 92 2.843 20.613 -5.537 720 HG2 LYS 92 1HG LYS 92 0.742 21.136 -6.156 721 HG3 LYS 92 2HG LYS 92 1.231 20.339 -7.653 722 HD2 LYS 92 1HD LYS 92 -0.009 18.457 -7.215 723 HD3 LYS 92 2HD LYS 92 0.071 18.681 -5.466 724 HE2 LYS 92 1HE LYS 92 -2.136 19.197 -5.936 725 HE3 LYS 92 2HE LYS 92 -1.371 20.785 -5.917 726 HZ1 LYS 92 3HZ LYS 92 -2.100 19.182 -8.305 727 HZ2 LYS 92 1HZ LYS 92 -1.178 20.600 -8.369 728 HZ3 LYS 92 2HZ LYS 92 -2.776 20.653 -7.816 729 H GLY 93 H GLY 93 2.908 17.382 -4.976 730 HA2 GLY 93 1HA GLY 93 5.660 16.425 -4.884 731 HA3 GLY 93 2HA GLY 93 5.085 17.269 -3.454 732 H VAL 94 H VAL 94 5.499 15.271 -2.316 733 HA VAL 94 HA VAL 94 3.292 13.347 -2.648 734 HB VAL 94 HB VAL 94 5.332 12.270 -3.389 735 HG11 VAL 94 1HG1 VAL 94 6.588 13.849 -1.511 736 HG12 VAL 94 2HG1 VAL 94 6.717 12.224 -0.833 737 HG13 VAL 94 3HG1 VAL 94 7.336 12.558 -2.451 738 HG21 VAL 94 3HG2 VAL 94 3.604 11.286 -1.501 739 HG22 VAL 94 1HG2 VAL 94 4.798 10.340 -2.390 740 HG23 VAL 94 2HG2 VAL 94 5.182 10.960 -0.784 741 H GLY 95 H GLY 95 2.201 12.769 -0.837 742 HA2 GLY 95 1HA GLY 95 2.750 14.298 1.568 743 HA3 GLY 95 2HA GLY 95 1.344 13.287 1.270 744 HA PRO 96 HA PRO 96 4.065 11.126 4.339 745 HB2 PRO 96 1HB PRO 96 2.043 10.488 6.035 746 HB3 PRO 96 2HB PRO 96 2.910 12.027 6.110 747 HG2 PRO 96 1HG PRO 96 0.259 11.404 4.867 748 HG3 PRO 96 2HG PRO 96 0.732 12.800 5.852 749 HD2 PRO 96 1HD PRO 96 0.572 12.911 3.151 750 HD3 PRO 96 2HD PRO 96 1.745 13.868 4.078 751 H LEU 97 H LEU 97 3.007 8.933 5.577 752 HA LEU 97 HA LEU 97 2.155 7.238 3.322 753 HB2 LEU 97 1HB LEU 97 3.920 6.557 5.667 754 HB3 LEU 97 2HB LEU 97 3.323 5.385 4.494 755 HG LEU 97 HG LEU 97 4.846 7.700 3.436 756 HD11 LEU 97 1HD1 LEU 97 6.213 5.388 4.802 757 HD12 LEU 97 2HD1 LEU 97 6.108 7.022 5.457 758 HD13 LEU 97 3HD1 LEU 97 6.982 6.729 3.953 759 HD21 LEU 97 3HD2 LEU 97 5.508 4.962 2.649 760 HD22 LEU 97 1HD2 LEU 97 5.101 6.364 1.659 761 HD23 LEU 97 2HD2 LEU 97 3.818 5.396 2.387 762 H SER 98 H SER 98 1.254 5.050 4.266 763 HA SER 98 HA SER 98 -0.846 5.808 6.177 764 HB2 SER 98 1HB SER 98 -1.248 4.837 3.739 765 HB3 SER 98 2HB SER 98 -1.013 3.298 4.567 766 HG SER 98 HG SER 98 -2.675 3.970 6.036 767 H ASP 99 H ASP 99 -1.632 4.044 7.616 768 HA ASP 99 HA ASP 99 0.454 3.066 9.220 769 HB2 ASP 99 1HB ASP 99 -1.493 1.599 10.174 770 HB3 ASP 99 2HB ASP 99 -1.531 3.347 10.384 771 HA PRO 100 HA PRO 100 1.642 -0.657 7.194 772 HB2 PRO 100 1HB PRO 100 2.710 -1.972 9.315 773 HB3 PRO 100 2HB PRO 100 3.511 -0.606 8.528 774 HG2 PRO 100 1HG PRO 100 1.881 -0.656 11.039 775 HG3 PRO 100 2HG PRO 100 3.406 0.188 10.711 776 HD2 PRO 100 1HD PRO 100 1.006 1.441 10.657 777 HD3 PRO 100 2HD PRO 100 2.356 1.918 9.608 778 H ILE 101 H ILE 101 0.373 -2.277 6.567 779 HA ILE 101 HA ILE 101 -1.600 -3.361 8.437 780 HB ILE 101 HB ILE 101 -1.355 -3.681 5.444 781 HG12 ILE 101 1HG1 ILE 101 -3.122 -2.005 7.221 782 HG13 ILE 101 2HG1 ILE 101 -2.075 -1.470 5.910 783 HG21 ILE 101 1HG2 ILE 101 -2.333 -5.670 6.407 784 HG22 ILE 101 2HG2 ILE 101 -3.463 -4.695 7.345 785 HG23 ILE 101 3HG2 ILE 101 -3.581 -4.735 5.586 786 HD11 ILE 101 3HD1 ILE 101 -3.560 -2.630 4.314 787 HD12 ILE 101 1HD1 ILE 101 -4.637 -3.024 5.654 788 HD13 ILE 101 2HD1 ILE 101 -4.361 -1.340 5.210 789 H LEU 102 H LEU 102 -1.632 -5.451 9.093 790 HA LEU 102 HA LEU 102 0.730 -7.055 8.465 791 HB2 LEU 102 1HB LEU 102 -1.219 -6.947 10.702 792 HB3 LEU 102 2HB LEU 102 -0.454 -8.496 10.356 793 HG LEU 102 HG LEU 102 1.765 -7.345 10.612 794 HD11 LEU 102 1HD1 LEU 102 0.832 -5.049 10.249 795 HD12 LEU 102 2HD1 LEU 102 1.888 -5.210 11.652 796 HD13 LEU 102 3HD1 LEU 102 0.139 -5.145 11.868 797 HD21 LEU 102 3HD2 LEU 102 1.214 -6.966 13.218 798 HD22 LEU 102 1HD2 LEU 102 1.404 -8.557 12.480 799 HD23 LEU 102 2HD2 LEU 102 -0.210 -7.890 12.734 800 H PHE 103 H PHE 103 0.389 -8.137 6.600 801 HA PHE 103 HA PHE 103 -1.978 -9.886 6.491 802 HB2 PHE 103 1HB PHE 103 -2.371 -8.248 4.823 803 HB3 PHE 103 2HB PHE 103 -0.695 -8.282 4.285 804 HD1 PHE 103 2HD PHE 103 0.125 -10.095 2.883 805 HD2 PHE 103 1HD PHE 103 -3.951 -9.898 4.091 806 HE1 PHE 103 2HE PHE 103 -0.464 -11.740 1.151 807 HE2 PHE 103 1HE PHE 103 -4.547 -11.543 2.362 808 HZ PHE 103 HZ PHE 103 -2.802 -12.466 0.888 809 H ARG 104 H ARG 104 -1.188 -11.840 6.991 810 HA ARG 104 HA ARG 104 1.448 -12.676 6.200 811 HB2 ARG 104 1HB ARG 104 0.062 -13.338 8.318 812 HB3 ARG 104 2HB ARG 104 -0.637 -14.552 7.255 813 HG2 ARG 104 1HG ARG 104 1.313 -15.735 7.091 814 HG3 ARG 104 2HG ARG 104 2.324 -14.322 7.401 815 HD2 ARG 104 1HD ARG 104 2.531 -15.542 9.362 816 HD3 ARG 104 2HD ARG 104 1.270 -14.376 9.758 817 HE ARG 104 HE ARG 104 -0.140 -16.498 8.880 818 HH11 ARG 104 1HH1 ARG 104 2.416 -16.162 11.220 819 HH12 ARG 104 2HH1 ARG 104 1.867 -17.480 12.202 820 HH21 ARG 104 1HH2 ARG 104 -0.872 -18.235 10.164 821 HH22 ARG 104 2HH2 ARG 104 -0.003 -18.659 11.599 822 H THR 105 H THR 105 1.997 -13.663 4.374 823 HA THR 105 HA THR 105 0.216 -14.083 2.258 824 HB THR 105 HB THR 105 2.177 -15.613 1.404 825 HG1 THR 105 1HG THR 105 3.856 -15.708 2.687 826 HG21 THR 105 3HG2 THR 105 1.537 -13.115 0.905 827 HG22 THR 105 1HG2 THR 105 3.094 -13.759 0.388 828 HG23 THR 105 2HG2 THR 105 2.988 -12.774 1.847 829 H LEU 106 H LEU 106 -0.387 -16.077 1.207 830 HA LEU 106 HA LEU 106 -1.559 -17.941 2.960 831 HB2 LEU 106 1HB LEU 106 -1.253 -17.648 0.037 832 HB3 LEU 106 2HB LEU 106 -1.580 -19.276 0.626 833 HG LEU 106 HG LEU 106 -3.310 -16.834 0.998 834 HD11 LEU 106 1HD1 LEU 106 -4.933 -18.222 -0.289 835 HD12 LEU 106 2HD1 LEU 106 -3.629 -19.368 -0.597 836 HD13 LEU 106 3HD1 LEU 106 -3.516 -17.719 -1.210 837 HD21 LEU 106 3HD2 LEU 106 -4.213 -17.821 2.766 838 HD22 LEU 106 1HD2 LEU 106 -3.092 -19.174 2.612 839 HD23 LEU 106 2HD2 LEU 106 -4.637 -19.208 1.761 840 H LYS 107 H LYS 107 -1.175 -20.282 2.986 841 HA LYS 107 HA LYS 107 1.692 -20.834 3.146 842 HB2 LYS 107 1HB LYS 107 -0.726 -22.261 4.251 843 HB3 LYS 107 2HB LYS 107 0.902 -22.918 4.351 844 HG2 LYS 107 1HG LYS 107 0.850 -21.894 6.360 845 HG3 LYS 107 2HG LYS 107 1.363 -20.507 5.396 846 HD2 LYS 107 1HD LYS 107 -1.548 -20.933 5.571 847 HD3 LYS 107 2HD LYS 107 -0.751 -20.481 7.079 848 HE2 LYS 107 1HE LYS 107 -0.042 -18.946 4.643 849 HE3 LYS 107 2HE LYS 107 -1.645 -18.681 5.329 850 HZ1 LYS 107 3HZ LYS 107 -0.478 -18.307 7.503 851 HZ2 LYS 107 1HZ LYS 107 -0.216 -17.119 6.327 852 HZ3 LYS 107 2HZ LYS 107 0.978 -18.274 6.643 853 H VAL 108 H VAL 108 2.718 -22.117 1.749 854 HA VAL 108 HA VAL 108 1.088 -23.752 -0.086 855 HB VAL 108 HB VAL 108 2.202 -21.792 -1.171 856 HG11 VAL 108 1HG1 VAL 108 4.691 -22.110 -1.594 857 HG12 VAL 108 2HG1 VAL 108 4.222 -21.554 0.014 858 HG13 VAL 108 3HG1 VAL 108 4.665 -23.242 -0.242 859 HG21 VAL 108 3HG2 VAL 108 3.582 -23.600 -2.740 860 HG22 VAL 108 1HG2 VAL 108 2.348 -24.585 -1.954 861 HG23 VAL 108 2HG2 VAL 108 1.879 -23.170 -2.897 862 H SER 109 H SER 109 2.274 -24.516 2.486 863 HA SER 109 HA SER 109 4.603 -26.089 1.981 864 HB2 SER 109 1HB SER 109 4.434 -26.796 4.230 865 HB3 SER 109 2HB SER 109 3.809 -25.147 4.235 866 HG SER 109 HG SER 109 2.491 -26.684 5.389 867 H GLY 110 H GLY 110 4.793 -28.323 1.774 868 HA2 GLY 110 1HA GLY 110 4.192 -30.440 1.117 869 HA3 GLY 110 2HA GLY 110 2.623 -30.130 1.846 870 HA PRO 111 HA PRO 111 2.482 -30.266 -2.911 871 HB2 PRO 111 1HB PRO 111 1.343 -32.714 -3.199 872 HB3 PRO 111 2HB PRO 111 3.093 -32.465 -3.178 873 HG2 PRO 111 1HG PRO 111 1.281 -33.373 -0.974 874 HG3 PRO 111 2HG PRO 111 2.878 -33.990 -1.435 875 HD2 PRO 111 1HD PRO 111 2.516 -32.299 0.648 876 HD3 PRO 111 2HD PRO 111 3.990 -32.292 -0.342 877 H SER 112 H SER 112 0.833 -28.893 -3.243 878 HA SER 112 HA SER 112 -1.496 -28.527 -1.955 879 HB2 SER 112 1HB SER 112 -0.651 -27.249 -3.972 880 HB3 SER 112 2HB SER 112 -1.381 -28.502 -4.976 881 HG SER 112 HG SER 112 -3.393 -27.976 -4.055 882 H SER 113 H SER 113 -3.179 -29.738 -1.425 883 HA SER 113 HA SER 113 -3.897 -31.998 -3.175 884 HB2 SER 113 1HB SER 113 -3.824 -31.839 -0.163 885 HB3 SER 113 2HB SER 113 -4.750 -33.076 -1.014 886 HG SER 113 HG SER 113 -2.339 -33.356 -0.361 887 H GLY 114 H GLY 114 -6.149 -32.603 -3.188 888 HA2 GLY 114 1HA GLY 114 -8.392 -31.928 -2.214 889 HA3 GLY 114 2HA GLY 114 -7.897 -30.292 -2.622 Start of MODEL 13 1 H1 GLY 1 H GLY 1 4.070 28.874 5.285 2 HA2 GLY 1 1HA GLY 1 3.824 26.333 4.542 3 HA3 GLY 1 2HA GLY 1 3.491 27.627 3.400 4 H SER 2 H SER 2 4.166 25.441 2.192 5 HA SER 2 HA SER 2 7.037 25.204 1.877 6 HB2 SER 2 1HB SER 2 4.833 23.816 0.335 7 HB3 SER 2 2HB SER 2 6.537 23.364 0.373 8 HG SER 2 HG SER 2 4.832 22.315 1.864 9 H SER 3 H SER 3 8.220 26.217 0.397 10 HA SER 3 HA SER 3 6.877 27.922 -1.545 11 HB2 SER 3 1HB SER 3 9.092 28.921 -1.894 12 HB3 SER 3 2HB SER 3 8.692 28.876 -0.178 13 HG SER 3 HG SER 3 9.893 26.679 -0.447 14 H GLY 4 H GLY 4 6.129 26.334 -3.007 15 HA2 GLY 4 1HA GLY 4 7.173 25.898 -5.343 16 HA3 GLY 4 2HA GLY 4 8.196 24.801 -4.427 17 H SER 5 H SER 5 7.134 23.040 -3.264 18 HA SER 5 HA SER 5 4.583 22.259 -4.515 19 HB2 SER 5 1HB SER 5 5.436 19.885 -4.376 20 HB3 SER 5 2HB SER 5 6.279 20.908 -5.539 21 HG SER 5 HG SER 5 7.461 19.511 -3.817 22 H SER 6 H SER 6 3.010 21.938 -3.100 23 HA SER 6 HA SER 6 3.627 21.748 -0.271 24 HB2 SER 6 1HB SER 6 1.248 22.080 0.084 25 HB3 SER 6 2HB SER 6 1.820 23.249 -1.106 26 HG SER 6 HG SER 6 0.825 22.135 -2.698 27 H GLY 7 H GLY 7 2.138 19.784 -2.802 28 HA2 GLY 7 1HA GLY 7 1.702 17.534 -2.911 29 HA3 GLY 7 2HA GLY 7 2.880 17.343 -1.621 30 HA PRO 8 HA PRO 8 -1.558 16.446 -0.196 31 HB2 PRO 8 1HB PRO 8 -1.331 13.752 0.043 32 HB3 PRO 8 2HB PRO 8 -1.877 14.542 -1.441 33 HG2 PRO 8 1HG PRO 8 0.834 13.478 -0.748 34 HG3 PRO 8 2HG PRO 8 -0.070 13.332 -2.266 35 HD2 PRO 8 1HD PRO 8 1.920 15.136 -1.923 36 HD3 PRO 8 2HD PRO 8 0.517 15.449 -2.965 37 H THR 9 H THR 9 -1.987 16.385 1.944 38 HA THR 9 HA THR 9 0.256 15.794 3.747 39 HB THR 9 HB THR 9 -0.993 17.092 5.443 40 HG1 THR 9 1HG THR 9 -2.860 18.214 4.788 41 HG21 THR 9 3HG2 THR 9 -0.451 18.447 2.804 42 HG22 THR 9 1HG2 THR 9 0.637 18.299 4.183 43 HG23 THR 9 2HG2 THR 9 -0.794 19.323 4.296 44 H SER 10 H SER 10 -1.872 13.947 2.489 45 HA SER 10 HA SER 10 -2.372 12.455 4.946 46 HB2 SER 10 1HB SER 10 -4.539 13.257 2.993 47 HB3 SER 10 2HB SER 10 -4.736 12.000 4.214 48 HG SER 10 HG SER 10 -5.241 13.569 5.504 49 H ALA 11 H ALA 11 -2.879 10.208 4.573 50 HA ALA 11 HA ALA 11 -1.669 9.237 2.089 51 HB1 ALA 11 3HB ALA 11 -2.167 7.078 3.818 52 HB2 ALA 11 1HB ALA 11 -0.618 7.838 3.452 53 HB3 ALA 11 2HB ALA 11 -1.574 8.399 4.825 54 HA PRO 12 HA PRO 12 -5.328 7.489 0.414 55 HB2 PRO 12 1HB PRO 12 -4.557 5.007 -0.369 56 HB3 PRO 12 2HB PRO 12 -4.033 6.480 -1.193 57 HG2 PRO 12 1HG PRO 12 -2.580 4.823 0.833 58 HG3 PRO 12 2HG PRO 12 -1.966 5.555 -0.661 59 HD2 PRO 12 1HD PRO 12 -1.554 6.657 1.777 60 HD3 PRO 12 2HD PRO 12 -1.731 7.634 0.305 61 H LYS 13 H LYS 13 -6.980 5.832 0.622 62 HA LYS 13 HA LYS 13 -6.851 4.402 3.197 63 HB2 LYS 13 1HB LYS 13 -9.358 4.730 3.272 64 HB3 LYS 13 2HB LYS 13 -8.393 6.182 3.506 65 HG2 LYS 13 1HG LYS 13 -8.730 6.640 1.041 66 HG3 LYS 13 2HG LYS 13 -9.940 5.355 1.069 67 HD2 LYS 13 1HD LYS 13 -11.348 6.548 2.494 68 HD3 LYS 13 2HD LYS 13 -10.051 7.616 3.035 69 HE2 LYS 13 1HE LYS 13 -10.194 8.950 1.184 70 HE3 LYS 13 2HE LYS 13 -10.773 7.644 0.152 71 HZ1 LYS 13 3HZ LYS 13 -12.524 9.227 0.533 72 HZ2 LYS 13 1HZ LYS 13 -12.352 9.089 2.211 73 HZ3 LYS 13 2HZ LYS 13 -12.918 7.775 1.307 74 H ASP 14 H ASP 14 -8.990 2.838 3.139 75 HA ASP 14 HA ASP 14 -9.778 0.846 2.373 76 HB2 ASP 14 1HB ASP 14 -10.674 2.407 0.595 77 HB3 ASP 14 2HB ASP 14 -9.293 1.947 -0.397 78 H LEU 15 H LEU 15 -6.871 1.260 2.764 79 HA LEU 15 HA LEU 15 -5.462 -0.216 0.785 80 HB2 LEU 15 1HB LEU 15 -4.405 1.393 2.331 81 HB3 LEU 15 2HB LEU 15 -4.725 0.287 3.666 82 HG LEU 15 HG LEU 15 -3.207 -1.351 2.694 83 HD11 LEU 15 1HD1 LEU 15 -1.730 -0.424 0.778 84 HD12 LEU 15 2HD1 LEU 15 -3.105 0.633 0.460 85 HD13 LEU 15 3HD1 LEU 15 -3.306 -1.118 0.397 86 HD21 LEU 15 3HD2 LEU 15 -1.470 0.996 2.543 87 HD22 LEU 15 1HD2 LEU 15 -1.426 -0.382 3.642 88 HD23 LEU 15 2HD2 LEU 15 -2.516 0.967 3.963 89 H THR 16 H THR 16 -6.195 -2.229 0.373 90 HA THR 16 HA THR 16 -6.196 -4.131 2.623 91 HB THR 16 HB THR 16 -8.064 -4.350 0.263 92 HG1 THR 16 1HG THR 16 -8.632 -2.508 1.484 93 HG21 THR 16 3HG2 THR 16 -8.231 -6.428 1.098 94 HG22 THR 16 1HG2 THR 16 -9.163 -5.680 2.394 95 HG23 THR 16 2HG2 THR 16 -7.439 -5.982 2.609 96 H VAL 17 H VAL 17 -5.169 -6.039 2.290 97 HA VAL 17 HA VAL 17 -4.010 -6.482 -0.385 98 HB VAL 17 HB VAL 17 -2.801 -7.196 2.290 99 HG11 VAL 17 1HG1 VAL 17 -1.021 -8.183 1.184 100 HG12 VAL 17 2HG1 VAL 17 -2.404 -8.707 0.221 101 HG13 VAL 17 3HG1 VAL 17 -1.389 -7.378 -0.341 102 HG21 VAL 17 3HG2 VAL 17 -1.135 -5.505 0.749 103 HG22 VAL 17 1HG2 VAL 17 -2.744 -4.784 0.778 104 HG23 VAL 17 2HG2 VAL 17 -1.918 -5.158 2.290 105 H ILE 18 H ILE 18 -4.662 -8.272 -1.365 106 HA ILE 18 HA ILE 18 -5.442 -10.587 0.276 107 HB ILE 18 HB ILE 18 -7.240 -11.096 -1.344 108 HG12 ILE 18 1HG1 ILE 18 -6.905 -8.284 -2.375 109 HG13 ILE 18 2HG1 ILE 18 -6.144 -9.659 -3.168 110 HG21 ILE 18 1HG2 ILE 18 -8.141 -10.147 0.532 111 HG22 ILE 18 2HG2 ILE 18 -7.252 -8.638 0.331 112 HG23 ILE 18 3HG2 ILE 18 -8.655 -8.977 -0.682 113 HD11 ILE 18 3HD1 ILE 18 -9.098 -9.315 -2.712 114 HD12 ILE 18 1HD1 ILE 18 -8.247 -9.038 -4.231 115 HD13 ILE 18 2HD1 ILE 18 -8.322 -10.662 -3.545 116 H THR 19 H THR 19 -4.888 -12.583 -0.512 117 HA THR 19 HA THR 19 -2.755 -12.676 -2.406 118 HB THR 19 HB THR 19 -2.868 -14.216 -0.478 119 HG1 THR 19 1HG THR 19 -2.747 -15.214 -3.119 120 HG21 THR 19 3HG2 THR 19 -5.054 -15.644 -1.985 121 HG22 THR 19 1HG2 THR 19 -5.359 -14.558 -0.630 122 HG23 THR 19 2HG2 THR 19 -4.416 -16.029 -0.387 123 H ARG 20 H ARG 20 -2.703 -13.584 -4.452 124 HA ARG 20 HA ARG 20 -5.038 -13.283 -6.025 125 HB2 ARG 20 1HB ARG 20 -2.465 -13.184 -6.639 126 HB3 ARG 20 2HB ARG 20 -2.720 -14.884 -7.011 127 HG2 ARG 20 1HG ARG 20 -3.103 -13.913 -9.049 128 HG3 ARG 20 2HG ARG 20 -4.740 -13.986 -8.393 129 HD2 ARG 20 1HD ARG 20 -4.234 -11.619 -7.491 130 HD3 ARG 20 2HD ARG 20 -2.914 -11.625 -8.660 131 HE ARG 20 HE ARG 20 -5.701 -11.319 -9.215 132 HH11 ARG 20 1HH1 ARG 20 -2.684 -12.490 -10.497 133 HH12 ARG 20 2HH1 ARG 20 -3.161 -12.295 -12.151 134 HH21 ARG 20 1HH2 ARG 20 -6.341 -11.057 -11.388 135 HH22 ARG 20 2HH2 ARG 20 -5.241 -11.478 -12.657 136 H GLU 21 H GLU 21 -6.493 -14.732 -6.776 137 HA GLU 21 HA GLU 21 -6.824 -17.185 -5.412 138 HB2 GLU 21 1HB GLU 21 -8.807 -17.430 -6.608 139 HB3 GLU 21 2HB GLU 21 -8.592 -15.686 -6.562 140 HG2 GLU 21 1HG GLU 21 -9.221 -16.130 -8.754 141 HG3 GLU 21 2HG GLU 21 -7.471 -15.937 -8.838 142 H GLY 22 H GLY 22 -5.066 -16.312 -8.231 143 HA2 GLY 22 1HA GLY 22 -4.730 -19.167 -8.918 144 HA3 GLY 22 2HA GLY 22 -4.588 -17.854 -10.078 145 H LYS 23 H LYS 23 -3.222 -16.861 -7.224 146 HA LYS 23 HA LYS 23 -0.634 -18.101 -7.588 147 HB2 LYS 23 1HB LYS 23 -1.126 -15.200 -8.242 148 HB3 LYS 23 2HB LYS 23 0.467 -15.806 -7.807 149 HG2 LYS 23 1HG LYS 23 0.232 -17.449 -9.703 150 HG3 LYS 23 2HG LYS 23 -1.199 -16.541 -10.197 151 HD2 LYS 23 1HD LYS 23 1.498 -15.262 -9.799 152 HD3 LYS 23 2HD LYS 23 0.965 -15.917 -11.349 153 HE2 LYS 23 1HE LYS 23 -0.801 -14.000 -9.903 154 HE3 LYS 23 2HE LYS 23 0.613 -13.380 -10.753 155 HZ1 LYS 23 3HZ LYS 23 -0.547 -15.081 -12.539 156 HZ2 LYS 23 1HZ LYS 23 -0.668 -13.393 -12.552 157 HZ3 LYS 23 2HZ LYS 23 -1.871 -14.322 -11.810 158 HA PRO 24 HA PRO 24 -1.090 -17.327 -3.201 159 HB2 PRO 24 1HB PRO 24 1.050 -18.826 -2.465 160 HB3 PRO 24 2HB PRO 24 -0.514 -19.530 -2.894 161 HG2 PRO 24 1HG PRO 24 1.959 -19.251 -4.559 162 HG3 PRO 24 2HG PRO 24 0.858 -20.633 -4.414 163 HD2 PRO 24 1HD PRO 24 0.761 -18.908 -6.498 164 HD3 PRO 24 2HD PRO 24 -0.684 -19.719 -5.862 165 H ARG 25 H ARG 25 1.996 -17.126 -4.948 166 HA ARG 25 HA ARG 25 3.203 -15.422 -2.977 167 HB2 ARG 25 1HB ARG 25 4.056 -16.134 -5.788 168 HB3 ARG 25 2HB ARG 25 5.031 -15.211 -4.652 169 HG2 ARG 25 1HG ARG 25 5.069 -17.128 -3.132 170 HG3 ARG 25 2HG ARG 25 4.104 -18.053 -4.285 171 HD2 ARG 25 1HD ARG 25 6.181 -18.765 -4.893 172 HD3 ARG 25 2HD ARG 25 6.058 -17.339 -5.924 173 HE ARG 25 HE ARG 25 7.223 -16.789 -3.361 174 HH11 ARG 25 1HH1 ARG 25 7.854 -17.914 -6.595 175 HH12 ARG 25 2HH1 ARG 25 9.529 -17.473 -6.562 176 HH21 ARG 25 1HH2 ARG 25 9.427 -16.203 -3.306 177 HH22 ARG 25 2HH2 ARG 25 10.423 -16.500 -4.690 178 H ALA 26 H ALA 26 0.730 -14.786 -4.886 179 HA ALA 26 HA ALA 26 1.640 -12.076 -5.601 180 HB1 ALA 26 3HB ALA 26 -0.613 -12.263 -7.003 181 HB2 ALA 26 1HB ALA 26 0.933 -12.850 -7.616 182 HB3 ALA 26 2HB ALA 26 -0.220 -13.980 -6.906 183 H VAL 27 H VAL 27 0.250 -10.306 -5.181 184 HA VAL 27 HA VAL 27 -2.095 -10.744 -3.521 185 HB VAL 27 HB VAL 27 -1.322 -9.204 -1.754 186 HG11 VAL 27 1HG1 VAL 27 -1.163 -11.605 -1.405 187 HG12 VAL 27 2HG1 VAL 27 0.434 -11.625 -2.157 188 HG13 VAL 27 3HG1 VAL 27 0.188 -10.778 -0.629 189 HG21 VAL 27 3HG2 VAL 27 1.268 -9.342 -3.281 190 HG22 VAL 27 1HG2 VAL 27 0.332 -7.911 -2.851 191 HG23 VAL 27 2HG2 VAL 27 1.170 -8.825 -1.597 192 H ILE 28 H ILE 28 -3.621 -9.248 -3.890 193 HA ILE 28 HA ILE 28 -2.940 -7.026 -5.665 194 HB ILE 28 HB ILE 28 -5.742 -7.687 -4.841 195 HG12 ILE 28 1HG1 ILE 28 -4.735 -9.833 -5.471 196 HG13 ILE 28 2HG1 ILE 28 -5.892 -9.302 -6.687 197 HG21 ILE 28 1HG2 ILE 28 -4.423 -6.032 -6.806 198 HG22 ILE 28 2HG2 ILE 28 -5.581 -7.127 -7.560 199 HG23 ILE 28 3HG2 ILE 28 -6.107 -6.032 -6.282 200 HD11 ILE 28 3HD1 ILE 28 -4.317 -9.656 -8.197 201 HD12 ILE 28 1HD1 ILE 28 -3.452 -8.273 -7.528 202 HD13 ILE 28 2HD1 ILE 28 -3.093 -9.901 -6.952 203 H VAL 29 H VAL 29 -2.129 -5.418 -4.396 204 HA VAL 29 HA VAL 29 -3.455 -4.657 -1.934 205 HB VAL 29 HB VAL 29 -1.143 -3.311 -3.338 206 HG11 VAL 29 1HG1 VAL 29 -2.735 -2.449 -1.204 207 HG12 VAL 29 2HG1 VAL 29 -1.228 -3.014 -0.480 208 HG13 VAL 29 3HG1 VAL 29 -1.195 -1.774 -1.734 209 HG21 VAL 29 3HG2 VAL 29 -0.043 -5.191 -2.793 210 HG22 VAL 29 1HG2 VAL 29 -0.100 -4.555 -1.149 211 HG23 VAL 29 2HG2 VAL 29 -1.307 -5.724 -1.684 212 H SER 30 H SER 30 -5.375 -3.680 -2.249 213 HA SER 30 HA SER 30 -5.629 -1.642 -4.330 214 HB2 SER 30 1HB SER 30 -8.025 -1.759 -3.915 215 HB3 SER 30 2HB SER 30 -7.386 -3.389 -4.125 216 HG SER 30 HG SER 30 -7.320 -3.517 -1.801 217 H TRP 31 H TRP 31 -7.015 0.305 -3.675 218 HA TRP 31 HA TRP 31 -7.048 1.228 -1.018 219 HB2 TRP 31 1HB TRP 31 -5.269 2.896 -1.075 220 HB3 TRP 31 2HB TRP 31 -4.599 1.285 -1.317 221 HD1 TRP 31 HD TRP 31 -5.388 4.504 -3.279 222 HE1 TRP 31 1HE TRP 31 -3.911 4.546 -5.386 223 HE3 TRP 31 3HE TRP 31 -3.283 -0.139 -2.889 224 HZ2 TRP 31 2HZ TRP 31 -2.095 2.838 -6.709 225 HZ3 TRP 31 3HZ TRP 31 -1.686 -0.859 -4.617 226 HH2 TRP 31 HH TRP 31 -1.106 0.600 -6.487 227 H GLN 32 H GLN 32 -7.074 3.856 -1.149 228 HA GLN 32 HA GLN 32 -8.601 4.634 -3.529 229 HB2 GLN 32 1HB GLN 32 -9.561 4.526 -0.727 230 HB3 GLN 32 2HB GLN 32 -10.005 5.955 -1.651 231 HG2 GLN 32 1HG GLN 32 -10.424 3.377 -3.005 232 HG3 GLN 32 2HG GLN 32 -11.443 3.687 -1.600 233 HE21 GLN 32 1HE2 GLN 32 -11.057 4.174 -4.880 234 HE22 GLN 32 2HE2 GLN 32 -12.241 5.410 -5.106 235 HA PRO 33 HA PRO 33 -6.442 8.446 -3.357 236 HB2 PRO 33 1HB PRO 33 -8.347 10.256 -4.040 237 HB3 PRO 33 2HB PRO 33 -7.647 9.116 -5.195 238 HG2 PRO 33 1HG PRO 33 -10.244 8.958 -3.714 239 HG3 PRO 33 2HG PRO 33 -9.900 8.582 -5.413 240 HD2 PRO 33 1HD PRO 33 -10.130 6.665 -3.514 241 HD3 PRO 33 2HD PRO 33 -9.045 6.501 -4.910 242 HA PRO 34 HA PRO 34 -7.057 10.083 0.718 243 HB2 PRO 34 1HB PRO 34 -5.208 12.066 0.577 244 HB3 PRO 34 2HB PRO 34 -4.777 10.363 0.774 245 HG2 PRO 34 1HG PRO 34 -4.790 12.039 -1.706 246 HG3 PRO 34 2HG PRO 34 -3.582 10.863 -1.157 247 HD2 PRO 34 1HD PRO 34 -5.436 10.276 -3.042 248 HD3 PRO 34 2HD PRO 34 -4.811 9.063 -1.906 249 H LEU 35 H LEU 35 -7.977 11.880 1.736 250 HA LEU 35 HA LEU 35 -9.703 13.460 0.105 251 HB2 LEU 35 1HB LEU 35 -9.176 13.151 3.007 252 HB3 LEU 35 2HB LEU 35 -9.950 14.644 2.479 253 HG LEU 35 HG LEU 35 -11.611 13.043 3.211 254 HD11 LEU 35 1HD1 LEU 35 -12.202 12.781 0.393 255 HD12 LEU 35 2HD1 LEU 35 -11.611 14.394 0.790 256 HD13 LEU 35 3HD1 LEU 35 -13.013 13.737 1.633 257 HD21 LEU 35 3HD2 LEU 35 -11.941 10.932 1.985 258 HD22 LEU 35 1HD2 LEU 35 -10.397 10.983 2.837 259 HD23 LEU 35 2HD2 LEU 35 -10.450 11.237 1.092 260 H GLU 36 H GLU 36 -6.932 14.249 2.198 261 HA GLU 36 HA GLU 36 -6.879 16.973 1.205 262 HB2 GLU 36 1HB GLU 36 -4.843 15.664 3.003 263 HB3 GLU 36 2HB GLU 36 -5.184 17.380 2.826 264 HG2 GLU 36 1HG GLU 36 -7.493 16.867 3.737 265 HG3 GLU 36 2HG GLU 36 -6.852 15.284 4.176 266 H ALA 37 H ALA 37 -6.564 15.444 -0.945 267 HA ALA 37 HA ALA 37 -3.871 14.736 -1.536 268 HB1 ALA 37 3HB ALA 37 -4.659 14.482 -3.840 269 HB2 ALA 37 1HB ALA 37 -5.743 13.696 -2.692 270 HB3 ALA 37 2HB ALA 37 -6.185 15.249 -3.401 271 H ASN 38 H ASN 38 -5.346 17.710 -1.202 272 HA ASN 38 HA ASN 38 -4.874 19.839 -1.885 273 HB2 ASN 38 1HB ASN 38 -2.200 18.514 -1.575 274 HB3 ASN 38 2HB ASN 38 -2.292 20.184 -2.126 275 HD21 ASN 38 1HD2 ASN 38 -1.695 18.464 0.482 276 HD22 ASN 38 2HD2 ASN 38 -2.337 19.488 1.717 277 H GLY 39 H GLY 39 -5.638 18.091 -4.009 278 HA2 GLY 39 1HA GLY 39 -5.557 19.443 -6.252 279 HA3 GLY 39 2HA GLY 39 -3.899 18.862 -6.239 280 H LYS 40 H LYS 40 -3.949 17.505 -7.960 281 HA LYS 40 HA LYS 40 -5.806 15.224 -7.773 282 HB2 LYS 40 1HB LYS 40 -6.489 16.525 -9.660 283 HB3 LYS 40 2HB LYS 40 -4.830 16.693 -10.221 284 HG2 LYS 40 1HG LYS 40 -4.905 14.101 -10.392 285 HG3 LYS 40 2HG LYS 40 -6.654 14.337 -10.385 286 HD2 LYS 40 1HD LYS 40 -6.352 15.954 -12.277 287 HD3 LYS 40 2HD LYS 40 -4.657 15.466 -12.342 288 HE2 LYS 40 1HE LYS 40 -5.158 13.353 -13.115 289 HE3 LYS 40 2HE LYS 40 -6.785 13.376 -12.436 290 HZ1 LYS 40 3HZ LYS 40 -7.494 13.917 -14.451 291 HZ2 LYS 40 1HZ LYS 40 -5.919 14.128 -15.032 292 HZ3 LYS 40 2HZ LYS 40 -6.724 15.414 -14.285 293 H ILE 41 H ILE 41 -4.696 13.488 -7.172 294 HA ILE 41 HA ILE 41 -1.965 13.140 -7.172 295 HB ILE 41 HB ILE 41 -3.975 10.915 -7.524 296 HG12 ILE 41 1HG1 ILE 41 -4.715 12.215 -5.664 297 HG13 ILE 41 2HG1 ILE 41 -3.864 10.827 -4.997 298 HG21 ILE 41 1HG2 ILE 41 -2.059 9.934 -5.905 299 HG22 ILE 41 2HG2 ILE 41 -2.045 9.756 -7.659 300 HG23 ILE 41 3HG2 ILE 41 -1.099 11.033 -6.895 301 HD11 ILE 41 3HD1 ILE 41 -2.926 13.669 -5.177 302 HD12 ILE 41 1HD1 ILE 41 -3.181 12.685 -3.736 303 HD13 ILE 41 2HD1 ILE 41 -1.839 12.326 -4.823 304 H THR 42 H THR 42 -0.448 12.422 -8.577 305 HA THR 42 HA THR 42 -1.349 11.804 -11.316 306 HB THR 42 HB THR 42 0.602 12.851 -12.208 307 HG1 THR 42 1HG THR 42 1.431 13.037 -9.493 308 HG21 THR 42 3HG2 THR 42 -0.612 14.724 -12.038 309 HG22 THR 42 1HG2 THR 42 0.386 15.120 -10.640 310 HG23 THR 42 2HG2 THR 42 -1.165 14.311 -10.416 311 H ALA 43 H ALA 43 0.221 10.627 -8.587 312 HA ALA 43 HA ALA 43 0.891 8.169 -9.884 313 HB1 ALA 43 3HB ALA 43 3.236 8.165 -9.671 314 HB2 ALA 43 1HB ALA 43 2.836 9.707 -10.428 315 HB3 ALA 43 2HB ALA 43 3.233 9.643 -8.710 316 H TYR 44 H TYR 44 1.155 6.488 -8.439 317 HA TYR 44 HA TYR 44 0.895 7.201 -5.590 318 HB2 TYR 44 1HB TYR 44 -0.447 5.038 -7.195 319 HB3 TYR 44 2HB TYR 44 -0.301 4.920 -5.445 320 HD1 TYR 44 2HD TYR 44 -1.240 6.890 -4.064 321 HD2 TYR 44 1HD TYR 44 -2.231 6.201 -8.144 322 HE1 TYR 44 2HE TYR 44 -3.262 8.264 -3.799 323 HE2 TYR 44 1HE TYR 44 -4.255 7.574 -7.890 324 HH TYR 44 HH TYR 44 -5.735 8.373 -6.173 325 H ILE 45 H ILE 45 2.594 6.628 -4.426 326 HA ILE 45 HA ILE 45 4.331 4.473 -5.398 327 HB ILE 45 HB ILE 45 4.963 6.424 -3.190 328 HG12 ILE 45 1HG1 ILE 45 6.391 7.469 -5.120 329 HG13 ILE 45 2HG1 ILE 45 5.206 6.697 -6.168 330 HG21 ILE 45 1HG2 ILE 45 7.276 5.819 -3.687 331 HG22 ILE 45 2HG2 ILE 45 6.323 4.398 -3.262 332 HG23 ILE 45 3HG2 ILE 45 6.722 4.719 -4.949 333 HD11 ILE 45 3HD1 ILE 45 4.930 9.178 -5.303 334 HD12 ILE 45 1HD1 ILE 45 3.547 8.116 -5.563 335 HD13 ILE 45 2HD1 ILE 45 4.185 8.351 -3.936 336 H LEU 46 H LEU 46 4.201 2.546 -4.474 337 HA LEU 46 HA LEU 46 3.044 2.345 -1.778 338 HB2 LEU 46 1HB LEU 46 1.720 1.085 -3.222 339 HB3 LEU 46 2HB LEU 46 3.110 0.488 -4.126 340 HG LEU 46 HG LEU 46 3.677 -0.737 -1.888 341 HD11 LEU 46 1HD1 LEU 46 1.459 -1.458 -0.831 342 HD12 LEU 46 2HD1 LEU 46 0.789 -0.001 -1.564 343 HD13 LEU 46 3HD1 LEU 46 2.104 0.124 -0.396 344 HD21 LEU 46 3HD2 LEU 46 1.792 -2.476 -2.678 345 HD22 LEU 46 1HD2 LEU 46 3.304 -2.222 -3.549 346 HD23 LEU 46 2HD2 LEU 46 1.831 -1.418 -4.090 347 H PHE 47 H PHE 47 4.023 1.054 -0.206 348 HA PHE 47 HA PHE 47 6.738 0.103 -0.804 349 HB2 PHE 47 1HB PHE 47 6.004 1.586 1.724 350 HB3 PHE 47 2HB PHE 47 7.607 1.056 1.227 351 HD1 PHE 47 1HD PHE 47 4.813 3.113 -0.154 352 HD2 PHE 47 2HD PHE 47 9.006 2.680 0.431 353 HE1 PHE 47 1HE PHE 47 5.186 5.286 -1.245 354 HE2 PHE 47 2HE PHE 47 9.386 4.853 -0.658 355 HZ PHE 47 HZ PHE 47 7.475 6.160 -1.497 356 H TYR 48 H TYR 48 7.308 -1.795 0.138 357 HA TYR 48 HA TYR 48 5.647 -2.907 2.262 358 HB2 TYR 48 1HB TYR 48 5.313 -5.021 1.066 359 HB3 TYR 48 2HB TYR 48 4.582 -3.681 0.191 360 HD1 TYR 48 1HD TYR 48 7.322 -6.126 0.205 361 HD2 TYR 48 2HD TYR 48 5.429 -2.991 -1.960 362 HE1 TYR 48 1HE TYR 48 8.578 -6.768 -1.810 363 HE2 TYR 48 2HE TYR 48 6.679 -3.624 -3.981 364 HH TYR 48 HH TYR 48 9.244 -5.984 -3.892 365 H THR 49 H THR 49 6.674 -4.454 3.518 366 HA THR 49 HA THR 49 9.242 -5.522 2.804 367 HB THR 49 HB THR 49 9.746 -3.154 3.574 368 HG1 THR 49 1HG THR 49 11.544 -3.894 4.781 369 HG21 THR 49 3HG2 THR 49 8.850 -4.337 6.201 370 HG22 THR 49 1HG2 THR 49 8.180 -2.928 5.381 371 HG23 THR 49 2HG2 THR 49 9.808 -2.864 6.057 372 H LEU 50 H LEU 50 10.248 -6.544 4.931 373 HA LEU 50 HA LEU 50 8.065 -7.694 6.533 374 HB2 LEU 50 1HB LEU 50 9.608 -9.810 6.466 375 HB3 LEU 50 2HB LEU 50 8.443 -9.493 5.183 376 HG LEU 50 HG LEU 50 10.437 -8.383 3.965 377 HD11 LEU 50 1HD1 LEU 50 12.579 -9.640 4.601 378 HD12 LEU 50 2HD1 LEU 50 11.796 -9.909 6.158 379 HD13 LEU 50 3HD1 LEU 50 12.098 -8.265 5.595 380 HD21 LEU 50 3HD2 LEU 50 11.144 -11.144 3.872 381 HD22 LEU 50 1HD2 LEU 50 10.217 -10.196 2.708 382 HD23 LEU 50 2HD2 LEU 50 9.393 -11.006 4.041 383 H ASP 51 H ASP 51 10.721 -5.859 6.625 384 HA ASP 51 HA ASP 51 11.363 -6.702 9.365 385 HB2 ASP 51 1HB ASP 51 13.237 -6.278 7.082 386 HB3 ASP 51 2HB ASP 51 13.760 -5.787 8.691 387 H LYS 52 H LYS 52 9.678 -4.925 9.571 388 HA LYS 52 HA LYS 52 9.860 -2.320 8.938 389 HB2 LYS 52 1HB LYS 52 8.841 -1.775 11.120 390 HB3 LYS 52 2HB LYS 52 8.089 -3.173 10.362 391 HG2 LYS 52 1HG LYS 52 9.626 -4.589 11.809 392 HG3 LYS 52 2HG LYS 52 9.961 -3.106 12.705 393 HD2 LYS 52 1HD LYS 52 7.560 -2.849 13.154 394 HD3 LYS 52 2HD LYS 52 7.243 -4.349 12.280 395 HE2 LYS 52 1HE LYS 52 8.875 -5.430 13.933 396 HE3 LYS 52 2HE LYS 52 8.685 -3.959 14.886 397 HZ1 LYS 52 3HZ LYS 52 7.161 -5.716 15.585 398 HZ2 LYS 52 1HZ LYS 52 6.466 -5.745 14.043 399 HZ3 LYS 52 2HZ LYS 52 6.321 -4.366 15.010 400 H ASN 53 H ASN 53 12.066 -4.052 10.968 401 HA ASN 53 HA ASN 53 13.266 -2.211 12.543 402 HB2 ASN 53 1HB ASN 53 14.673 -4.239 10.792 403 HB3 ASN 53 2HB ASN 53 15.408 -3.411 12.162 404 HD21 ASN 53 1HD2 ASN 53 13.507 -6.022 11.137 405 HD22 ASN 53 2HD2 ASN 53 13.122 -6.665 12.694 406 H ILE 54 H ILE 54 13.658 -2.510 9.049 407 HA ILE 54 HA ILE 54 15.574 -0.352 8.926 408 HB ILE 54 HB ILE 54 15.261 -0.609 6.430 409 HG12 ILE 54 1HG1 ILE 54 13.806 -3.150 7.133 410 HG13 ILE 54 2HG1 ILE 54 12.936 -1.661 6.778 411 HG21 ILE 54 1HG2 ILE 54 16.634 -2.544 6.308 412 HG22 ILE 54 2HG2 ILE 54 17.029 -1.728 7.820 413 HG23 ILE 54 3HG2 ILE 54 16.006 -3.164 7.836 414 HD11 ILE 54 3HD1 ILE 54 13.854 -3.578 4.970 415 HD12 ILE 54 1HD1 ILE 54 13.138 -2.008 4.606 416 HD13 ILE 54 2HD1 ILE 54 14.889 -2.168 4.744 417 HA PRO 55 HA PRO 55 12.824 3.028 8.395 418 HB2 PRO 55 1HB PRO 55 14.217 4.577 6.653 419 HB3 PRO 55 2HB PRO 55 14.682 4.379 8.347 420 HG2 PRO 55 1HG PRO 55 15.770 3.019 5.912 421 HG3 PRO 55 2HG PRO 55 16.642 3.687 7.304 422 HD2 PRO 55 1HD PRO 55 16.140 1.040 7.034 423 HD3 PRO 55 2HD PRO 55 16.217 1.840 8.617 424 H ILE 56 H ILE 56 11.134 3.644 7.135 425 HA ILE 56 HA ILE 56 10.105 2.149 5.137 426 HB ILE 56 HB ILE 56 8.907 4.020 6.212 427 HG12 ILE 56 1HG1 ILE 56 7.698 4.795 4.160 428 HG13 ILE 56 2HG1 ILE 56 8.956 4.040 3.187 429 HG21 ILE 56 1HG2 ILE 56 9.957 5.984 4.270 430 HG22 ILE 56 2HG2 ILE 56 9.409 6.209 5.931 431 HG23 ILE 56 3HG2 ILE 56 11.016 5.555 5.613 432 HD11 ILE 56 3HD1 ILE 56 8.065 2.074 4.975 433 HD12 ILE 56 1HD1 ILE 56 6.623 2.876 4.352 434 HD13 ILE 56 2HD1 ILE 56 7.790 2.166 3.235 435 H ASP 57 H ASP 57 12.648 4.508 4.829 436 HA ASP 57 HA ASP 57 12.578 4.836 2.026 437 HB2 ASP 57 1HB ASP 57 14.793 5.166 4.050 438 HB3 ASP 57 2HB ASP 57 15.003 5.532 2.340 439 H ASP 58 H ASP 58 14.355 2.594 4.116 440 HA ASP 58 HA ASP 58 15.824 1.348 2.045 441 HB2 ASP 58 1HB ASP 58 16.033 1.267 4.700 442 HB3 ASP 58 2HB ASP 58 15.083 -0.201 4.481 443 H TRP 59 H TRP 59 12.590 0.948 3.233 444 HA TRP 59 HA TRP 59 11.987 -1.634 2.439 445 HB2 TRP 59 1HB TRP 59 10.227 0.825 2.347 446 HB3 TRP 59 2HB TRP 59 9.644 -0.831 2.207 447 HD1 TRP 59 HD TRP 59 12.381 -0.164 4.745 448 HE1 TRP 59 1HE TRP 59 11.401 -0.372 7.116 449 HE3 TRP 59 3HE TRP 59 7.421 -0.485 3.547 450 HZ2 TRP 59 2HZ TRP 59 8.861 -0.638 8.319 451 HZ3 TRP 59 3HZ TRP 59 5.781 -0.715 5.366 452 HH2 TRP 59 HH TRP 59 6.488 -0.790 7.702 453 H ILE 60 H ILE 60 10.453 -2.167 0.562 454 HA ILE 60 HA ILE 60 11.796 -1.363 -1.886 455 HB ILE 60 HB ILE 60 9.604 -3.402 -1.485 456 HG12 ILE 60 1HG1 ILE 60 12.434 -4.140 -2.065 457 HG13 ILE 60 2HG1 ILE 60 12.032 -3.648 -0.424 458 HG21 ILE 60 1HG2 ILE 60 11.350 -3.741 -3.775 459 HG22 ILE 60 2HG2 ILE 60 9.590 -3.737 -3.687 460 HG23 ILE 60 3HG2 ILE 60 10.468 -2.215 -3.826 461 HD11 ILE 60 3HD1 ILE 60 10.663 -5.857 -1.940 462 HD12 ILE 60 1HD1 ILE 60 11.953 -6.083 -0.759 463 HD13 ILE 60 2HD1 ILE 60 10.402 -5.410 -0.254 464 H MET 61 H MET 61 11.108 0.584 -2.592 465 HA MET 61 HA MET 61 8.333 1.355 -2.455 466 HB2 MET 61 1HB MET 61 10.094 3.027 -2.150 467 HB3 MET 61 2HB MET 61 10.698 2.706 -3.771 468 HG2 MET 61 1HG MET 61 8.123 3.307 -4.313 469 HG3 MET 61 2HG MET 61 8.400 4.304 -2.887 470 HE1 MET 61 3HE MET 61 10.682 3.070 -5.730 471 HE2 MET 61 1HE MET 61 9.406 3.764 -6.732 472 HE3 MET 61 2HE MET 61 10.998 4.520 -6.684 473 H GLU 62 H GLU 62 6.904 1.589 -4.153 474 HA GLU 62 HA GLU 62 7.768 0.633 -6.790 475 HB2 GLU 62 1HB GLU 62 5.653 -0.521 -5.039 476 HB3 GLU 62 2HB GLU 62 5.337 -0.454 -6.767 477 HG2 GLU 62 1HG GLU 62 7.491 -1.943 -5.316 478 HG3 GLU 62 2HG GLU 62 6.251 -2.569 -6.401 479 H THR 63 H THR 63 7.154 1.960 -8.360 480 HA THR 63 HA THR 63 5.369 4.156 -7.771 481 HB THR 63 HB THR 63 6.793 3.484 -10.354 482 HG1 THR 63 1HG THR 63 8.303 3.937 -8.756 483 HG21 THR 63 3HG2 THR 63 6.247 6.269 -9.950 484 HG22 THR 63 1HG2 THR 63 4.749 5.350 -9.814 485 HG23 THR 63 2HG2 THR 63 5.734 5.217 -11.270 486 H ILE 64 H ILE 64 3.299 4.357 -8.379 487 HA ILE 64 HA ILE 64 2.211 2.381 -10.273 488 HB ILE 64 HB ILE 64 0.653 3.480 -7.942 489 HG12 ILE 64 1HG1 ILE 64 1.699 0.683 -7.943 490 HG13 ILE 64 2HG1 ILE 64 2.792 1.981 -7.475 491 HG21 ILE 64 1HG2 ILE 64 -0.889 2.676 -9.443 492 HG22 ILE 64 2HG2 ILE 64 0.195 1.427 -10.053 493 HG23 ILE 64 3HG2 ILE 64 -0.578 1.232 -8.480 494 HD11 ILE 64 3HD1 ILE 64 1.826 2.216 -5.486 495 HD12 ILE 64 1HD1 ILE 64 0.200 2.141 -6.164 496 HD13 ILE 64 2HD1 ILE 64 1.079 0.652 -5.813 497 H SER 65 H SER 65 0.609 3.083 -11.675 498 HA SER 65 HA SER 65 0.732 5.756 -12.515 499 HB2 SER 65 1HB SER 65 -0.984 3.408 -13.190 500 HB3 SER 65 2HB SER 65 -1.500 5.002 -13.739 501 HG SER 65 HG SER 65 0.724 3.490 -14.481 502 H GLY 66 H GLY 66 -0.291 7.538 -11.871 503 HA2 GLY 66 1HA GLY 66 -1.775 7.738 -9.556 504 HA3 GLY 66 2HA GLY 66 -1.818 8.922 -10.853 505 H ASP 67 H ASP 67 -2.850 6.736 -12.684 506 HA ASP 67 HA ASP 67 -5.627 7.284 -12.265 507 HB2 ASP 67 1HB ASP 67 -4.875 7.151 -14.527 508 HB3 ASP 67 2HB ASP 67 -4.153 5.566 -14.262 509 H ARG 68 H ARG 68 -3.582 4.399 -12.010 510 HA ARG 68 HA ARG 68 -5.759 2.715 -11.189 511 HB2 ARG 68 1HB ARG 68 -2.789 2.201 -10.961 512 HB3 ARG 68 2HB ARG 68 -4.073 1.002 -10.881 513 HG2 ARG 68 1HG ARG 68 -4.617 1.349 -13.193 514 HG3 ARG 68 2HG ARG 68 -3.476 2.691 -13.299 515 HD2 ARG 68 1HD ARG 68 -1.673 1.041 -12.663 516 HD3 ARG 68 2HD ARG 68 -2.870 -0.230 -12.902 517 HE ARG 68 HE ARG 68 -2.748 1.433 -15.182 518 HH11 ARG 68 1HH1 ARG 68 -0.956 -1.038 -13.508 519 HH12 ARG 68 2HH1 ARG 68 -0.169 -1.619 -14.939 520 HH21 ARG 68 1HH2 ARG 68 -1.719 0.677 -17.072 521 HH22 ARG 68 2HH2 ARG 68 -0.603 -0.642 -16.965 522 H LEU 69 H LEU 69 -6.103 1.820 -9.134 523 HA LEU 69 HA LEU 69 -4.841 3.297 -6.917 524 HB2 LEU 69 1HB LEU 69 -7.671 2.279 -7.116 525 HB3 LEU 69 2HB LEU 69 -6.959 3.025 -5.687 526 HG LEU 69 HG LEU 69 -7.087 4.519 -8.281 527 HD11 LEU 69 1HD1 LEU 69 -9.269 5.039 -8.094 528 HD12 LEU 69 2HD1 LEU 69 -9.245 4.983 -6.332 529 HD13 LEU 69 3HD1 LEU 69 -9.356 3.488 -7.260 530 HD21 LEU 69 3HD2 LEU 69 -5.794 5.692 -6.769 531 HD22 LEU 69 1HD2 LEU 69 -6.749 5.166 -5.383 532 HD23 LEU 69 2HD2 LEU 69 -7.395 6.379 -6.488 533 H THR 70 H THR 70 -4.370 0.594 -8.278 534 HA THR 70 HA THR 70 -4.162 -0.920 -5.777 535 HB THR 70 HB THR 70 -5.063 -2.907 -6.633 536 HG1 THR 70 1HG THR 70 -5.760 -2.785 -9.016 537 HG21 THR 70 3HG2 THR 70 -6.745 -1.086 -6.169 538 HG22 THR 70 1HG2 THR 70 -7.305 -2.374 -7.235 539 HG23 THR 70 2HG2 THR 70 -6.821 -0.818 -7.910 540 H HIS 71 H HIS 71 -2.607 -2.704 -5.905 541 HA HIS 71 HA HIS 71 -0.726 -2.607 -8.128 542 HB2 HIS 71 1HB HIS 71 0.185 -0.926 -6.652 543 HB3 HIS 71 2HB HIS 71 0.049 -2.006 -5.267 544 HD1 HIS 71 1HD HIS 71 2.078 -1.473 -8.392 545 HD2 HIS 71 2HD HIS 71 2.151 -3.768 -4.929 546 HE1 HIS 71 1HE HIS 71 4.345 -2.560 -8.354 547 HE2 HIS 71 2HE HIS 71 4.335 -4.011 -6.295 548 H GLN 72 H GLN 72 0.187 -4.543 -8.546 549 HA GLN 72 HA GLN 72 -0.419 -6.729 -6.672 550 HB2 GLN 72 1HB GLN 72 -1.457 -6.923 -8.900 551 HB3 GLN 72 2HB GLN 72 0.137 -6.861 -9.641 552 HG2 GLN 72 1HG GLN 72 0.652 -8.917 -8.177 553 HG3 GLN 72 2HG GLN 72 -1.099 -9.041 -8.013 554 HE21 GLN 72 1HE2 GLN 72 -2.357 -9.374 -9.902 555 HE22 GLN 72 2HE2 GLN 72 -1.664 -10.104 -11.307 556 H ILE 73 H ILE 73 1.190 -7.828 -5.745 557 HA ILE 73 HA ILE 73 3.933 -7.258 -6.646 558 HB ILE 73 HB ILE 73 3.021 -8.230 -3.936 559 HG12 ILE 73 1HG1 ILE 73 4.132 -5.512 -4.624 560 HG13 ILE 73 2HG1 ILE 73 2.404 -5.845 -4.609 561 HG21 ILE 73 1HG2 ILE 73 5.347 -8.858 -4.797 562 HG22 ILE 73 2HG2 ILE 73 5.727 -7.144 -4.638 563 HG23 ILE 73 3HG2 ILE 73 5.243 -8.075 -3.221 564 HD11 ILE 73 3HD1 ILE 73 2.801 -4.941 -2.520 565 HD12 ILE 73 1HD1 ILE 73 2.809 -6.677 -2.211 566 HD13 ILE 73 2HD1 ILE 73 4.332 -5.795 -2.330 567 H MET 74 H MET 74 5.391 -8.912 -6.972 568 HA MET 74 HA MET 74 4.326 -11.652 -6.811 569 HB2 MET 74 1HB MET 74 5.944 -10.433 -9.053 570 HB3 MET 74 2HB MET 74 5.603 -12.151 -8.901 571 HG2 MET 74 1HG MET 74 3.119 -11.348 -8.817 572 HG3 MET 74 2HG MET 74 3.774 -9.908 -9.593 573 HE1 MET 74 3HE MET 74 3.882 -9.546 -11.748 574 HE2 MET 74 1HE MET 74 5.379 -10.366 -12.190 575 HE3 MET 74 2HE MET 74 3.904 -10.670 -13.107 576 H ASP 75 H ASP 75 5.907 -13.322 -6.543 577 HA ASP 75 HA ASP 75 7.812 -14.267 -5.720 578 HB2 ASP 75 1HB ASP 75 8.843 -12.533 -7.393 579 HB3 ASP 75 2HB ASP 75 9.295 -11.672 -5.925 580 H LEU 76 H LEU 76 6.018 -13.583 -3.891 581 HA LEU 76 HA LEU 76 7.428 -12.097 -1.789 582 HB2 LEU 76 1HB LEU 76 4.559 -12.808 -2.255 583 HB3 LEU 76 2HB LEU 76 5.121 -12.383 -0.640 584 HG LEU 76 HG LEU 76 5.275 -10.609 -3.077 585 HD11 LEU 76 1HD1 LEU 76 3.298 -10.905 -0.877 586 HD12 LEU 76 2HD1 LEU 76 3.049 -10.517 -2.579 587 HD13 LEU 76 3HD1 LEU 76 3.658 -9.285 -1.474 588 HD21 LEU 76 3HD2 LEU 76 6.009 -10.137 -0.191 589 HD22 LEU 76 1HD2 LEU 76 5.878 -8.871 -1.412 590 HD23 LEU 76 2HD2 LEU 76 7.095 -10.136 -1.582 591 H ASN 77 H ASN 77 7.899 -12.999 0.186 592 HA ASN 77 HA ASN 77 8.611 -15.652 0.345 593 HB2 ASN 77 1HB ASN 77 8.078 -13.535 2.384 594 HB3 ASN 77 2HB ASN 77 8.300 -15.192 2.939 595 HD21 ASN 77 1HD2 ASN 77 10.077 -13.558 3.877 596 HD22 ASN 77 2HD2 ASN 77 11.597 -13.681 3.064 597 H LEU 78 H LEU 78 7.747 -17.407 1.650 598 HA LEU 78 HA LEU 78 4.818 -17.510 1.474 599 HB2 LEU 78 1HB LEU 78 6.883 -19.700 1.608 600 HB3 LEU 78 2HB LEU 78 5.142 -19.977 1.628 601 HG LEU 78 HG LEU 78 6.024 -20.416 -0.576 602 HD11 LEU 78 1HD1 LEU 78 3.796 -19.481 -0.466 603 HD12 LEU 78 2HD1 LEU 78 4.637 -18.866 -1.888 604 HD13 LEU 78 3HD1 LEU 78 4.454 -17.845 -0.463 605 HD21 LEU 78 3HD2 LEU 78 7.178 -18.793 -1.888 606 HD22 LEU 78 1HD2 LEU 78 8.005 -18.905 -0.334 607 HD23 LEU 78 2HD2 LEU 78 6.933 -17.544 -0.665 608 H ASP 79 H ASP 79 3.613 -17.592 3.254 609 HA ASP 79 HA ASP 79 2.993 -17.690 5.441 610 HB2 ASP 79 1HB ASP 79 3.870 -20.055 5.105 611 HB3 ASP 79 2HB ASP 79 5.359 -19.513 5.875 612 H THR 80 H THR 80 4.250 -15.432 4.934 613 HA THR 80 HA THR 80 5.752 -14.936 7.389 614 HB THR 80 HB THR 80 6.769 -14.143 4.654 615 HG1 THR 80 1HG THR 80 7.271 -16.298 5.333 616 HG21 THR 80 3HG2 THR 80 7.154 -12.928 7.241 617 HG22 THR 80 1HG2 THR 80 7.735 -12.402 5.661 618 HG23 THR 80 2HG2 THR 80 8.679 -13.550 6.612 619 H MET 81 H MET 81 5.388 -12.949 8.268 620 HA MET 81 HA MET 81 3.143 -11.474 7.350 621 HB2 MET 81 1HB MET 81 3.867 -11.702 9.745 622 HB3 MET 81 2HB MET 81 5.193 -10.602 9.391 623 HG2 MET 81 1HG MET 81 3.253 -9.517 10.469 624 HG3 MET 81 2HG MET 81 3.679 -8.823 8.906 625 HE1 MET 81 3HE MET 81 0.996 -12.085 9.719 626 HE2 MET 81 1HE MET 81 1.590 -10.994 10.971 627 HE3 MET 81 2HE MET 81 -0.045 -10.802 10.339 628 H TYR 82 H TYR 82 3.002 -9.665 6.148 629 HA TYR 82 HA TYR 82 5.505 -8.325 5.370 630 HB2 TYR 82 1HB TYR 82 3.375 -9.493 3.658 631 HB3 TYR 82 2HB TYR 82 4.057 -7.954 3.144 632 HD1 TYR 82 1HD TYR 82 6.715 -7.882 3.191 633 HD2 TYR 82 2HD TYR 82 4.382 -11.428 2.908 634 HE1 TYR 82 1HE TYR 82 8.635 -9.059 2.202 635 HE2 TYR 82 2HE TYR 82 6.296 -12.616 1.919 636 HH TYR 82 HH TYR 82 8.810 -11.238 0.560 637 H TYR 83 H TYR 83 5.488 -6.241 5.855 638 HA TYR 83 HA TYR 83 3.021 -4.939 6.618 639 HB2 TYR 83 1HB TYR 83 5.793 -3.743 6.497 640 HB3 TYR 83 2HB TYR 83 4.407 -3.134 7.396 641 HD1 TYR 83 1HD TYR 83 3.534 -5.941 8.392 642 HD2 TYR 83 2HD TYR 83 7.256 -3.879 8.398 643 HE1 TYR 83 1HE TYR 83 4.241 -7.235 10.361 644 HE2 TYR 83 2HE TYR 83 7.974 -5.168 10.366 645 HH TYR 83 HH TYR 83 5.968 -7.757 11.699 646 H PHE 84 H PHE 84 1.924 -3.436 5.492 647 HA PHE 84 HA PHE 84 3.006 -2.668 2.861 648 HB2 PHE 84 1HB PHE 84 0.171 -3.193 3.749 649 HB3 PHE 84 2HB PHE 84 0.548 -2.344 2.254 650 HD1 PHE 84 1HD PHE 84 1.607 -3.509 0.394 651 HD2 PHE 84 2HD PHE 84 0.523 -5.554 3.966 652 HE1 PHE 84 1HE PHE 84 1.842 -5.663 -0.772 653 HE2 PHE 84 2HE PHE 84 0.757 -7.711 2.806 654 HZ PHE 84 HZ PHE 84 1.418 -7.767 0.434 655 H ARG 85 H ARG 85 3.075 -0.553 2.309 656 HA ARG 85 HA ARG 85 1.631 1.431 3.856 657 HB2 ARG 85 1HB ARG 85 4.651 1.345 3.780 658 HB3 ARG 85 2HB ARG 85 3.715 2.733 4.318 659 HG2 ARG 85 1HG ARG 85 2.676 1.208 6.040 660 HG3 ARG 85 2HG ARG 85 3.905 0.023 5.596 661 HD2 ARG 85 1HD ARG 85 4.984 1.056 7.319 662 HD3 ARG 85 2HD ARG 85 5.518 2.078 5.986 663 HE ARG 85 HE ARG 85 3.106 2.986 7.266 664 HH11 ARG 85 1HH1 ARG 85 6.586 3.072 7.302 665 HH12 ARG 85 2HH1 ARG 85 6.670 4.578 8.154 666 HH21 ARG 85 1HH2 ARG 85 3.203 4.970 8.388 667 HH22 ARG 85 2HH2 ARG 85 4.745 5.657 8.772 668 H ILE 86 H ILE 86 0.652 2.433 2.212 669 HA ILE 86 HA ILE 86 2.283 3.212 -0.115 670 HB ILE 86 HB ILE 86 0.357 1.695 -0.593 671 HG12 ILE 86 1HG1 ILE 86 0.062 4.455 -1.794 672 HG13 ILE 86 2HG1 ILE 86 1.304 3.298 -2.263 673 HG21 ILE 86 1HG2 ILE 86 -1.605 2.066 0.373 674 HG22 ILE 86 2HG2 ILE 86 -1.012 3.583 1.046 675 HG23 ILE 86 3HG2 ILE 86 -1.760 3.560 -0.550 676 HD11 ILE 86 3HD1 ILE 86 -0.316 3.026 -3.884 677 HD12 ILE 86 1HD1 ILE 86 -0.674 1.723 -2.752 678 HD13 ILE 86 2HD1 ILE 86 -1.642 3.198 -2.734 679 H GLN 87 H GLN 87 1.657 5.270 -1.154 680 HA GLN 87 HA GLN 87 0.368 7.208 0.605 681 HB2 GLN 87 1HB GLN 87 2.229 8.804 0.371 682 HB3 GLN 87 2HB GLN 87 2.714 7.348 1.231 683 HG2 GLN 87 1HG GLN 87 3.584 6.511 -1.008 684 HG3 GLN 87 2HG GLN 87 3.388 8.170 -1.571 685 HE21 GLN 87 1HE2 GLN 87 4.057 9.317 1.011 686 HE22 GLN 87 2HE2 GLN 87 5.766 9.142 1.191 687 H ALA 88 H ALA 88 0.613 9.491 -0.647 688 HA ALA 88 HA ALA 88 -0.150 8.966 -3.447 689 HB1 ALA 88 3HB ALA 88 -2.049 9.565 -1.896 690 HB2 ALA 88 1HB ALA 88 -1.314 11.161 -1.751 691 HB3 ALA 88 2HB ALA 88 -1.870 10.586 -3.323 692 H ARG 89 H ARG 89 0.600 10.352 -5.004 693 HA ARG 89 HA ARG 89 2.277 12.601 -4.128 694 HB2 ARG 89 1HB ARG 89 3.873 10.906 -4.591 695 HB3 ARG 89 2HB ARG 89 3.022 10.398 -6.044 696 HG2 ARG 89 1HG ARG 89 3.592 12.560 -7.091 697 HG3 ARG 89 2HG ARG 89 4.522 12.978 -5.651 698 HD2 ARG 89 1HD ARG 89 6.107 11.301 -6.050 699 HD3 ARG 89 2HD ARG 89 5.054 10.454 -7.182 700 HE ARG 89 HE ARG 89 5.771 11.852 -8.855 701 HH11 ARG 89 1HH1 ARG 89 6.755 13.130 -5.770 702 HH12 ARG 89 2HH1 ARG 89 7.773 14.353 -6.454 703 HH21 ARG 89 1HH2 ARG 89 7.109 13.458 -9.768 704 HH22 ARG 89 2HH2 ARG 89 7.974 14.539 -8.729 705 H ASN 90 H ASN 90 1.783 14.434 -5.132 706 HA ASN 90 HA ASN 90 0.290 14.275 -7.667 707 HB2 ASN 90 1HB ASN 90 -0.628 16.524 -7.024 708 HB3 ASN 90 2HB ASN 90 -1.118 15.208 -5.962 709 HD21 ASN 90 1HD2 ASN 90 -1.575 16.752 -4.348 710 HD22 ASN 90 2HD2 ASN 90 -0.308 17.465 -3.414 711 H SER 91 H SER 91 0.512 16.339 -9.000 712 HA SER 91 HA SER 91 2.957 16.617 -10.089 713 HB2 SER 91 1HB SER 91 2.279 18.784 -10.960 714 HB3 SER 91 2HB SER 91 0.887 17.701 -10.945 715 HG SER 91 HG SER 91 1.472 19.593 -8.912 716 H LYS 92 H LYS 92 1.942 17.922 -7.048 717 HA LYS 92 HA LYS 92 4.127 19.776 -6.791 718 HB2 LYS 92 1HB LYS 92 2.482 18.734 -4.501 719 HB3 LYS 92 2HB LYS 92 3.246 20.308 -4.679 720 HG2 LYS 92 1HG LYS 92 0.918 19.349 -6.329 721 HG3 LYS 92 2HG LYS 92 0.784 20.366 -4.892 722 HD2 LYS 92 1HD LYS 92 2.597 21.226 -7.096 723 HD3 LYS 92 2HD LYS 92 0.855 21.419 -7.306 724 HE2 LYS 92 1HE LYS 92 2.160 22.365 -4.791 725 HE3 LYS 92 2HE LYS 92 2.280 23.340 -6.254 726 HZ1 LYS 92 3HZ LYS 92 -0.370 22.627 -6.059 727 HZ2 LYS 92 1HZ LYS 92 0.297 24.148 -5.735 728 HZ3 LYS 92 2HZ LYS 92 0.083 23.033 -4.481 729 H GLY 93 H GLY 93 3.250 16.943 -4.800 730 HA2 GLY 93 1HA GLY 93 5.854 15.783 -5.016 731 HA3 GLY 93 2HA GLY 93 5.647 16.625 -3.487 732 H VAL 94 H VAL 94 5.929 14.572 -2.447 733 HA VAL 94 HA VAL 94 3.511 12.887 -2.570 734 HB VAL 94 HB VAL 94 5.385 11.611 -3.386 735 HG11 VAL 94 1HG1 VAL 94 7.391 12.370 -2.709 736 HG12 VAL 94 2HG1 VAL 94 6.776 12.905 -1.144 737 HG13 VAL 94 3HG1 VAL 94 7.180 11.207 -1.400 738 HG21 VAL 94 3HG2 VAL 94 4.446 9.894 -2.333 739 HG22 VAL 94 1HG2 VAL 94 5.518 10.190 -0.965 740 HG23 VAL 94 2HG2 VAL 94 3.923 10.940 -1.013 741 H GLY 95 H GLY 95 2.463 12.447 -0.699 742 HA2 GLY 95 1HA GLY 95 3.364 13.889 1.675 743 HA3 GLY 95 2HA GLY 95 1.772 13.188 1.426 744 HA PRO 96 HA PRO 96 4.017 10.462 4.397 745 HB2 PRO 96 1HB PRO 96 1.871 10.090 6.018 746 HB3 PRO 96 2HB PRO 96 2.966 11.468 6.176 747 HG2 PRO 96 1HG PRO 96 0.287 11.318 4.847 748 HG3 PRO 96 2HG PRO 96 0.945 12.585 5.899 749 HD2 PRO 96 1HD PRO 96 0.883 12.819 3.202 750 HD3 PRO 96 2HD PRO 96 2.164 13.544 4.195 751 H LEU 97 H LEU 97 3.097 8.284 5.315 752 HA LEU 97 HA LEU 97 1.626 6.947 3.139 753 HB2 LEU 97 1HB LEU 97 3.578 5.576 4.957 754 HB3 LEU 97 2HB LEU 97 2.940 5.021 3.411 755 HG LEU 97 HG LEU 97 4.240 7.184 2.553 756 HD11 LEU 97 1HD1 LEU 97 5.774 6.312 4.997 757 HD12 LEU 97 2HD1 LEU 97 4.996 7.876 4.754 758 HD13 LEU 97 3HD1 LEU 97 6.367 7.408 3.748 759 HD21 LEU 97 3HD2 LEU 97 5.705 5.722 1.608 760 HD22 LEU 97 1HD2 LEU 97 4.503 4.568 2.186 761 HD23 LEU 97 2HD2 LEU 97 5.977 4.845 3.114 762 H SER 98 H SER 98 0.671 4.786 3.931 763 HA SER 98 HA SER 98 -0.989 5.402 6.232 764 HB2 SER 98 1HB SER 98 -1.844 4.445 4.012 765 HB3 SER 98 2HB SER 98 -1.152 2.911 4.538 766 HG SER 98 HG SER 98 -3.474 3.471 5.069 767 H ASP 99 H ASP 99 -1.513 3.558 7.753 768 HA ASP 99 HA ASP 99 0.810 2.793 9.136 769 HB2 ASP 99 1HB ASP 99 -0.638 1.617 10.633 770 HB3 ASP 99 2HB ASP 99 -1.497 3.065 10.115 771 HA PRO 100 HA PRO 100 2.105 -0.885 7.108 772 HB2 PRO 100 1HB PRO 100 3.313 -2.157 9.179 773 HB3 PRO 100 2HB PRO 100 4.013 -0.745 8.380 774 HG2 PRO 100 1HG PRO 100 2.474 -0.901 10.942 775 HG3 PRO 100 2HG PRO 100 3.939 0.026 10.572 776 HD2 PRO 100 1HD PRO 100 1.476 1.149 10.610 777 HD3 PRO 100 2HD PRO 100 2.763 1.706 9.521 778 H ILE 101 H ILE 101 0.165 -1.919 6.593 779 HA ILE 101 HA ILE 101 -1.454 -3.287 8.467 780 HB ILE 101 HB ILE 101 -1.222 -3.670 5.480 781 HG12 ILE 101 1HG1 ILE 101 -3.127 -2.054 7.187 782 HG13 ILE 101 2HG1 ILE 101 -1.931 -1.424 6.059 783 HG21 ILE 101 1HG2 ILE 101 -3.002 -4.891 7.532 784 HG22 ILE 101 2HG2 ILE 101 -3.658 -4.537 5.934 785 HG23 ILE 101 3HG2 ILE 101 -2.270 -5.613 6.099 786 HD11 ILE 101 3HD1 ILE 101 -4.601 -2.562 5.557 787 HD12 ILE 101 1HD1 ILE 101 -3.736 -1.270 4.725 788 HD13 ILE 101 2HD1 ILE 101 -3.343 -2.956 4.386 789 H LEU 102 H LEU 102 -1.571 -5.436 9.028 790 HA LEU 102 HA LEU 102 0.843 -7.006 8.469 791 HB2 LEU 102 1HB LEU 102 -1.097 -6.875 10.712 792 HB3 LEU 102 2HB LEU 102 -0.333 -8.429 10.381 793 HG LEU 102 HG LEU 102 1.889 -7.217 10.580 794 HD11 LEU 102 1HD1 LEU 102 0.228 -5.127 11.968 795 HD12 LEU 102 2HD1 LEU 102 0.855 -4.943 10.330 796 HD13 LEU 102 3HD1 LEU 102 1.969 -5.120 11.686 797 HD21 LEU 102 3HD2 LEU 102 0.360 -7.088 13.147 798 HD22 LEU 102 1HD2 LEU 102 2.001 -7.659 12.847 799 HD23 LEU 102 2HD2 LEU 102 0.622 -8.638 12.346 800 H PHE 103 H PHE 103 0.546 -8.185 6.671 801 HA PHE 103 HA PHE 103 -1.811 -9.944 6.588 802 HB2 PHE 103 1HB PHE 103 -2.333 -8.403 4.903 803 HB3 PHE 103 2HB PHE 103 -0.654 -8.247 4.396 804 HD1 PHE 103 2HD PHE 103 0.402 -10.019 3.050 805 HD2 PHE 103 1HD PHE 103 -3.740 -10.104 4.028 806 HE1 PHE 103 2HE PHE 103 0.020 -11.677 1.273 807 HE2 PHE 103 1HE PHE 103 -4.128 -11.763 2.253 808 HZ PHE 103 HZ PHE 103 -2.247 -12.551 0.872 809 H ARG 104 H ARG 104 -1.214 -11.996 6.686 810 HA ARG 104 HA ARG 104 1.516 -12.756 6.050 811 HB2 ARG 104 1HB ARG 104 -0.004 -13.540 8.064 812 HB3 ARG 104 2HB ARG 104 -0.558 -14.732 6.895 813 HG2 ARG 104 1HG ARG 104 1.488 -15.781 6.790 814 HG3 ARG 104 2HG ARG 104 2.367 -14.349 7.329 815 HD2 ARG 104 1HD ARG 104 1.604 -14.636 9.572 816 HD3 ARG 104 2HD ARG 104 0.478 -15.902 9.086 817 HE ARG 104 HE ARG 104 2.198 -17.408 9.162 818 HH11 ARG 104 1HH1 ARG 104 3.511 -14.184 9.114 819 HH12 ARG 104 2HH1 ARG 104 5.139 -14.702 9.403 820 HH21 ARG 104 1HH2 ARG 104 4.337 -18.103 9.542 821 HH22 ARG 104 2HH2 ARG 104 5.608 -16.932 9.645 822 H THR 105 H THR 105 2.152 -13.937 4.334 823 HA THR 105 HA THR 105 0.342 -14.221 2.127 824 HB THR 105 HB THR 105 2.448 -15.476 1.160 825 HG1 THR 105 1HG THR 105 3.653 -15.661 3.027 826 HG21 THR 105 3HG2 THR 105 3.432 -13.290 0.560 827 HG22 THR 105 1HG2 THR 105 2.405 -12.517 1.766 828 HG23 THR 105 2HG2 THR 105 1.679 -13.312 0.370 829 H LEU 106 H LEU 106 -0.117 -16.192 1.003 830 HA LEU 106 HA LEU 106 -0.979 -18.282 2.678 831 HB2 LEU 106 1HB LEU 106 -0.865 -17.777 -0.230 832 HB3 LEU 106 2HB LEU 106 -0.982 -19.465 0.264 833 HG LEU 106 HG LEU 106 -2.931 -17.296 1.042 834 HD11 LEU 106 1HD1 LEU 106 -2.900 -19.291 -1.185 835 HD12 LEU 106 2HD1 LEU 106 -3.333 -17.583 -1.218 836 HD13 LEU 106 3HD1 LEU 106 -4.427 -18.756 -0.484 837 HD21 LEU 106 3HD2 LEU 106 -4.091 -19.805 1.313 838 HD22 LEU 106 1HD2 LEU 106 -3.543 -18.747 2.613 839 HD23 LEU 106 2HD2 LEU 106 -2.469 -19.993 1.979 840 H LYS 107 H LYS 107 -0.332 -20.547 2.576 841 HA LYS 107 HA LYS 107 2.573 -20.837 2.172 842 HB2 LYS 107 1HB LYS 107 1.143 -22.710 3.978 843 HB3 LYS 107 2HB LYS 107 2.765 -22.042 4.105 844 HG2 LYS 107 1HG LYS 107 1.851 -20.882 5.799 845 HG3 LYS 107 2HG LYS 107 1.323 -19.811 4.499 846 HD2 LYS 107 1HD LYS 107 -0.749 -21.391 4.416 847 HD3 LYS 107 2HD LYS 107 -0.243 -21.836 6.047 848 HE2 LYS 107 1HE LYS 107 -1.594 -20.096 6.588 849 HE3 LYS 107 2HE LYS 107 -0.116 -19.182 6.285 850 HZ1 LYS 107 3HZ LYS 107 -1.071 -18.143 4.591 851 HZ2 LYS 107 1HZ LYS 107 -2.545 -18.830 5.056 852 HZ3 LYS 107 2HZ LYS 107 -1.590 -19.591 3.887 853 H VAL 108 H VAL 108 2.679 -21.728 0.171 854 HA VAL 108 HA VAL 108 0.895 -23.886 -0.589 855 HB VAL 108 HB VAL 108 1.557 -22.162 -2.238 856 HG11 VAL 108 1HG1 VAL 108 4.253 -23.427 -2.447 857 HG12 VAL 108 2HG1 VAL 108 3.716 -21.830 -2.973 858 HG13 VAL 108 3HG1 VAL 108 3.977 -22.153 -1.259 859 HG21 VAL 108 3HG2 VAL 108 2.319 -25.020 -2.800 860 HG22 VAL 108 1HG2 VAL 108 0.781 -24.220 -3.125 861 HG23 VAL 108 2HG2 VAL 108 2.216 -23.784 -4.054 862 H SER 109 H SER 109 1.303 -25.865 0.139 863 HA SER 109 HA SER 109 3.905 -26.700 0.985 864 HB2 SER 109 1HB SER 109 1.329 -28.248 0.622 865 HB3 SER 109 2HB SER 109 2.796 -28.910 1.344 866 HG SER 109 HG SER 109 0.986 -27.053 2.360 867 H GLY 110 H GLY 110 1.724 -27.935 -1.562 868 HA2 GLY 110 1HA GLY 110 3.958 -28.247 -3.376 869 HA3 GLY 110 2HA GLY 110 3.273 -29.761 -2.806 870 HA PRO 111 HA PRO 111 0.761 -27.627 -6.328 871 HB2 PRO 111 1HB PRO 111 2.027 -28.560 -8.542 872 HB3 PRO 111 2HB PRO 111 2.429 -27.014 -7.785 873 HG2 PRO 111 1HG PRO 111 3.804 -29.660 -7.532 874 HG3 PRO 111 2HG PRO 111 4.511 -28.046 -7.729 875 HD2 PRO 111 1HD PRO 111 4.371 -29.293 -5.329 876 HD3 PRO 111 2HD PRO 111 4.264 -27.529 -5.496 877 H SER 112 H SER 112 -0.671 -29.232 -5.404 878 HA SER 112 HA SER 112 -0.535 -31.900 -6.604 879 HB2 SER 112 1HB SER 112 -2.378 -32.425 -4.970 880 HB3 SER 112 2HB SER 112 -0.859 -31.933 -4.222 881 HG SER 112 HG SER 112 -3.268 -30.826 -3.962 882 H SER 113 H SER 113 -1.935 -32.599 -8.107 883 HA SER 113 HA SER 113 -3.940 -30.688 -9.068 884 HB2 SER 113 1HB SER 113 -2.094 -31.816 -10.548 885 HB3 SER 113 2HB SER 113 -3.197 -33.192 -10.543 886 HG SER 113 HG SER 113 -3.947 -30.558 -11.283 887 H GLY 114 H GLY 114 -6.018 -31.557 -9.843 888 HA2 GLY 114 1HA GLY 114 -7.994 -32.652 -9.435 889 HA3 GLY 114 2HA GLY 114 -7.007 -34.089 -9.213 Start of MODEL 14 1 H1 GLY 1 H GLY 1 10.776 33.308 -0.870 2 HA2 GLY 1 1HA GLY 1 10.059 31.662 1.253 3 HA3 GLY 1 2HA GLY 1 9.020 32.891 0.547 4 H SER 2 H SER 2 7.585 32.297 -1.151 5 HA SER 2 HA SER 2 6.506 29.662 -0.809 6 HB2 SER 2 1HB SER 2 5.690 31.783 -2.808 7 HB3 SER 2 2HB SER 2 4.734 30.393 -2.295 8 HG SER 2 HG SER 2 3.980 31.833 -0.933 9 H SER 3 H SER 3 7.807 28.096 -1.630 10 HA SER 3 HA SER 3 9.166 28.324 -4.124 11 HB2 SER 3 1HB SER 3 8.718 26.131 -2.138 12 HB3 SER 3 2HB SER 3 9.323 25.719 -3.742 13 HG SER 3 HG SER 3 10.545 27.814 -2.346 14 H GLY 4 H GLY 4 6.337 26.424 -3.077 15 HA2 GLY 4 1HA GLY 4 4.428 26.591 -4.723 16 HA3 GLY 4 2HA GLY 4 5.620 26.123 -5.927 17 H SER 5 H SER 5 6.308 23.992 -6.050 18 HA SER 5 HA SER 5 4.543 21.976 -5.666 19 HB2 SER 5 1HB SER 5 7.561 21.870 -5.587 20 HB3 SER 5 2HB SER 5 6.556 20.421 -5.598 21 HG SER 5 HG SER 5 6.657 22.453 -7.577 22 H SER 6 H SER 6 3.447 21.578 -3.849 23 HA SER 6 HA SER 6 4.933 21.412 -1.315 24 HB2 SER 6 1HB SER 6 2.155 22.223 -2.015 25 HB3 SER 6 2HB SER 6 2.395 21.403 -0.472 26 HG SER 6 HG SER 6 3.187 23.188 0.273 27 H GLY 7 H GLY 7 2.073 19.881 -2.814 28 HA2 GLY 7 1HA GLY 7 1.918 17.536 -3.235 29 HA3 GLY 7 2HA GLY 7 3.147 17.267 -2.008 30 HA PRO 8 HA PRO 8 -1.230 16.593 -0.338 31 HB2 PRO 8 1HB PRO 8 -1.056 13.906 0.011 32 HB3 PRO 8 2HB PRO 8 -1.643 14.645 -1.484 33 HG2 PRO 8 1HG PRO 8 1.069 13.545 -0.851 34 HG3 PRO 8 2HG PRO 8 0.101 13.356 -2.325 35 HD2 PRO 8 1HD PRO 8 2.144 15.123 -2.140 36 HD3 PRO 8 2HD PRO 8 0.708 15.425 -3.139 37 H THR 9 H THR 9 -1.714 16.198 1.836 38 HA THR 9 HA THR 9 0.636 15.808 3.573 39 HB THR 9 HB THR 9 -0.664 17.087 5.300 40 HG1 THR 9 1HG THR 9 -2.738 16.816 4.269 41 HG21 THR 9 3HG2 THR 9 1.052 18.023 3.544 42 HG22 THR 9 1HG2 THR 9 0.142 19.123 4.579 43 HG23 THR 9 2HG2 THR 9 -0.368 18.854 2.912 44 H SER 10 H SER 10 -1.548 13.945 2.409 45 HA SER 10 HA SER 10 -1.911 12.447 4.881 46 HB2 SER 10 1HB SER 10 -3.961 13.876 4.564 47 HB3 SER 10 2HB SER 10 -4.263 13.004 3.061 48 HG SER 10 HG SER 10 -5.039 12.299 5.435 49 H ALA 11 H ALA 11 -2.548 10.212 4.504 50 HA ALA 11 HA ALA 11 -1.464 9.239 1.967 51 HB1 ALA 11 3HB ALA 11 -1.135 8.415 4.613 52 HB2 ALA 11 1HB ALA 11 -2.111 7.159 3.851 53 HB3 ALA 11 2HB ALA 11 -0.549 7.604 3.161 54 HA PRO 12 HA PRO 12 -5.225 7.646 0.362 55 HB2 PRO 12 1HB PRO 12 -4.612 5.109 -0.387 56 HB3 PRO 12 2HB PRO 12 -4.010 6.535 -1.241 57 HG2 PRO 12 1HG PRO 12 -2.635 4.827 0.796 58 HG3 PRO 12 2HG PRO 12 -1.997 5.498 -0.716 59 HD2 PRO 12 1HD PRO 12 -1.491 6.612 1.699 60 HD3 PRO 12 2HD PRO 12 -1.627 7.574 0.213 61 H LYS 13 H LYS 13 -6.858 5.844 0.499 62 HA LYS 13 HA LYS 13 -6.828 4.557 3.147 63 HB2 LYS 13 1HB LYS 13 -9.314 4.971 3.218 64 HB3 LYS 13 2HB LYS 13 -8.310 6.404 3.391 65 HG2 LYS 13 1HG LYS 13 -8.649 6.787 0.918 66 HG3 LYS 13 2HG LYS 13 -9.879 5.523 0.986 67 HD2 LYS 13 1HD LYS 13 -11.292 6.789 2.314 68 HD3 LYS 13 2HD LYS 13 -9.980 7.806 2.915 69 HE2 LYS 13 1HE LYS 13 -11.298 9.119 1.418 70 HE3 LYS 13 2HE LYS 13 -9.770 8.758 0.616 71 HZ1 LYS 13 3HZ LYS 13 -12.464 7.822 -0.010 72 HZ2 LYS 13 1HZ LYS 13 -11.192 6.738 -0.271 73 HZ3 LYS 13 2HZ LYS 13 -11.195 8.240 -1.049 74 H ASP 14 H ASP 14 -8.956 3.023 3.144 75 HA ASP 14 HA ASP 14 -9.768 1.019 2.436 76 HB2 ASP 14 1HB ASP 14 -10.869 2.433 0.754 77 HB3 ASP 14 2HB ASP 14 -9.460 2.289 -0.294 78 H LEU 15 H LEU 15 -6.897 1.316 2.777 79 HA LEU 15 HA LEU 15 -5.563 -0.122 0.700 80 HB2 LEU 15 1HB LEU 15 -4.437 1.464 2.229 81 HB3 LEU 15 2HB LEU 15 -4.707 0.334 3.555 82 HG LEU 15 HG LEU 15 -3.275 -1.314 2.386 83 HD11 LEU 15 1HD1 LEU 15 -3.237 0.847 0.355 84 HD12 LEU 15 2HD1 LEU 15 -3.238 -0.904 0.149 85 HD13 LEU 15 3HD1 LEU 15 -1.753 -0.072 0.612 86 HD21 LEU 15 3HD2 LEU 15 -2.507 1.062 3.728 87 HD22 LEU 15 1HD2 LEU 15 -1.319 0.745 2.463 88 HD23 LEU 15 2HD2 LEU 15 -1.668 -0.490 3.673 89 H THR 16 H THR 16 -6.160 -2.156 0.284 90 HA THR 16 HA THR 16 -6.231 -4.049 2.538 91 HB THR 16 HB THR 16 -8.035 -4.198 0.117 92 HG1 THR 16 1HG THR 16 -8.575 -2.476 1.599 93 HG21 THR 16 3HG2 THR 16 -9.039 -5.725 2.232 94 HG22 THR 16 1HG2 THR 16 -7.311 -6.074 2.188 95 HG23 THR 16 2HG2 THR 16 -8.298 -6.322 0.748 96 H VAL 17 H VAL 17 -5.264 -6.012 2.216 97 HA VAL 17 HA VAL 17 -3.986 -6.439 -0.408 98 HB VAL 17 HB VAL 17 -2.820 -7.125 2.294 99 HG11 VAL 17 1HG1 VAL 17 -2.298 -8.647 0.329 100 HG12 VAL 17 2HG1 VAL 17 -1.448 -7.271 -0.377 101 HG13 VAL 17 3HG1 VAL 17 -0.919 -7.938 1.168 102 HG21 VAL 17 3HG2 VAL 17 -1.114 -5.389 0.953 103 HG22 VAL 17 1HG2 VAL 17 -2.724 -4.718 0.695 104 HG23 VAL 17 2HG2 VAL 17 -2.140 -5.003 2.334 105 H ILE 18 H ILE 18 -4.664 -8.224 -1.376 106 HA ILE 18 HA ILE 18 -5.374 -10.553 0.275 107 HB ILE 18 HB ILE 18 -7.199 -11.088 -1.302 108 HG12 ILE 18 1HG1 ILE 18 -7.019 -8.274 -2.338 109 HG13 ILE 18 2HG1 ILE 18 -6.119 -9.571 -3.119 110 HG21 ILE 18 1HG2 ILE 18 -7.420 -9.682 0.856 111 HG22 ILE 18 2HG2 ILE 18 -7.717 -8.337 -0.245 112 HG23 ILE 18 3HG2 ILE 18 -8.781 -9.743 -0.265 113 HD11 ILE 18 3HD1 ILE 18 -8.364 -9.003 -4.108 114 HD12 ILE 18 1HD1 ILE 18 -8.091 -10.703 -3.725 115 HD13 ILE 18 2HD1 ILE 18 -9.080 -9.706 -2.658 116 H THR 19 H THR 19 -4.785 -12.532 -0.518 117 HA THR 19 HA THR 19 -2.701 -12.583 -2.466 118 HB THR 19 HB THR 19 -2.671 -14.129 -0.574 119 HG1 THR 19 1HG THR 19 -1.652 -14.786 -2.530 120 HG21 THR 19 3HG2 THR 19 -4.232 -16.097 -0.621 121 HG22 THR 19 1HG2 THR 19 -5.173 -15.240 -1.841 122 HG23 THR 19 2HG2 THR 19 -4.997 -14.558 -0.224 123 H ARG 20 H ARG 20 -2.685 -13.446 -4.522 124 HA ARG 20 HA ARG 20 -5.157 -13.315 -5.959 125 HB2 ARG 20 1HB ARG 20 -2.742 -12.710 -6.743 126 HB3 ARG 20 2HB ARG 20 -2.624 -14.424 -7.119 127 HG2 ARG 20 1HG ARG 20 -4.185 -14.303 -8.804 128 HG3 ARG 20 2HG ARG 20 -4.944 -12.854 -8.140 129 HD2 ARG 20 1HD ARG 20 -3.263 -11.457 -8.949 130 HD3 ARG 20 2HD ARG 20 -2.125 -12.788 -9.151 131 HE ARG 20 HE ARG 20 -2.951 -13.086 -11.252 132 HH11 ARG 20 1HH1 ARG 20 -5.334 -11.395 -9.360 133 HH12 ARG 20 2HH1 ARG 20 -6.417 -11.163 -10.692 134 HH21 ARG 20 1HH2 ARG 20 -4.368 -12.787 -13.014 135 HH22 ARG 20 2HH2 ARG 20 -5.867 -11.956 -12.770 136 H GLU 21 H GLU 21 -6.303 -14.953 -6.942 137 HA GLU 21 HA GLU 21 -6.206 -17.504 -5.670 138 HB2 GLU 21 1HB GLU 21 -8.156 -18.028 -6.884 139 HB3 GLU 21 2HB GLU 21 -8.272 -16.304 -6.560 140 HG2 GLU 21 1HG GLU 21 -7.824 -15.730 -8.764 141 HG3 GLU 21 2HG GLU 21 -7.115 -17.301 -9.130 142 H GLY 22 H GLY 22 -4.826 -16.171 -8.539 143 HA2 GLY 22 1HA GLY 22 -4.327 -18.772 -9.744 144 HA3 GLY 22 2HA GLY 22 -3.864 -17.210 -10.402 145 H LYS 23 H LYS 23 -2.688 -16.508 -7.705 146 HA LYS 23 HA LYS 23 -0.455 -18.332 -7.451 147 HB2 LYS 23 1HB LYS 23 -0.021 -15.481 -8.364 148 HB3 LYS 23 2HB LYS 23 1.248 -16.605 -7.894 149 HG2 LYS 23 1HG LYS 23 0.567 -18.086 -9.754 150 HG3 LYS 23 2HG LYS 23 -0.606 -16.865 -10.253 151 HD2 LYS 23 1HD LYS 23 1.144 -16.276 -11.595 152 HD3 LYS 23 2HD LYS 23 1.534 -15.306 -10.173 153 HE2 LYS 23 1HE LYS 23 3.556 -16.328 -10.676 154 HE3 LYS 23 2HE LYS 23 2.889 -17.372 -9.422 155 HZ1 LYS 23 3HZ LYS 23 3.734 -18.139 -11.919 156 HZ2 LYS 23 1HZ LYS 23 2.046 -18.194 -12.012 157 HZ3 LYS 23 2HZ LYS 23 2.856 -19.078 -10.819 158 HA PRO 24 HA PRO 24 -1.053 -16.858 -3.308 159 HB2 PRO 24 1HB PRO 24 0.989 -18.250 -2.186 160 HB3 PRO 24 2HB PRO 24 -0.544 -18.999 -2.647 161 HG2 PRO 24 1HG PRO 24 2.066 -18.972 -4.112 162 HG3 PRO 24 2HG PRO 24 0.932 -20.314 -3.871 163 HD2 PRO 24 1HD PRO 24 1.045 -18.900 -6.177 164 HD3 PRO 24 2HD PRO 24 -0.463 -19.605 -5.562 165 H ARG 25 H ARG 25 2.204 -16.963 -4.735 166 HA ARG 25 HA ARG 25 3.398 -15.148 -2.944 167 HB2 ARG 25 1HB ARG 25 4.085 -16.011 -5.747 168 HB3 ARG 25 2HB ARG 25 5.060 -14.838 -4.872 169 HG2 ARG 25 1HG ARG 25 5.889 -16.390 -3.429 170 HG3 ARG 25 2HG ARG 25 4.449 -17.407 -3.523 171 HD2 ARG 25 1HD ARG 25 5.278 -17.680 -6.030 172 HD3 ARG 25 2HD ARG 25 6.834 -17.308 -5.290 173 HE ARG 25 HE ARG 25 5.513 -19.311 -3.805 174 HH11 ARG 25 1HH1 ARG 25 7.176 -18.811 -6.822 175 HH12 ARG 25 2HH1 ARG 25 7.710 -20.454 -6.950 176 HH21 ARG 25 1HH2 ARG 25 6.211 -21.477 -3.961 177 HH22 ARG 25 2HH2 ARG 25 7.160 -21.970 -5.323 178 H ALA 26 H ALA 26 1.121 -14.665 -5.403 179 HA ALA 26 HA ALA 26 1.855 -11.851 -5.767 180 HB1 ALA 26 3HB ALA 26 -0.431 -12.411 -7.281 181 HB2 ALA 26 1HB ALA 26 1.226 -12.240 -7.859 182 HB3 ALA 26 2HB ALA 26 0.602 -13.832 -7.427 183 H VAL 27 H VAL 27 0.492 -10.167 -5.228 184 HA VAL 27 HA VAL 27 -2.011 -10.807 -3.847 185 HB VAL 27 HB VAL 27 -1.503 -9.319 -1.989 186 HG11 VAL 27 1HG1 VAL 27 -0.568 -10.983 -0.829 187 HG12 VAL 27 2HG1 VAL 27 -0.499 -11.853 -2.363 188 HG13 VAL 27 3HG1 VAL 27 0.905 -10.947 -1.798 189 HG21 VAL 27 3HG2 VAL 27 0.604 -8.267 -1.675 190 HG22 VAL 27 1HG2 VAL 27 1.310 -9.125 -3.046 191 HG23 VAL 27 2HG2 VAL 27 0.086 -7.884 -3.317 192 H ILE 28 H ILE 28 -3.512 -9.083 -3.757 193 HA ILE 28 HA ILE 28 -2.976 -6.972 -5.735 194 HB ILE 28 HB ILE 28 -5.727 -7.677 -4.777 195 HG12 ILE 28 1HG1 ILE 28 -4.585 -9.780 -5.497 196 HG13 ILE 28 2HG1 ILE 28 -5.957 -9.341 -6.510 197 HG21 ILE 28 1HG2 ILE 28 -6.148 -5.980 -6.162 198 HG22 ILE 28 2HG2 ILE 28 -4.525 -6.030 -6.848 199 HG23 ILE 28 3HG2 ILE 28 -5.778 -7.102 -7.471 200 HD11 ILE 28 3HD1 ILE 28 -3.415 -8.276 -7.461 201 HD12 ILE 28 1HD1 ILE 28 -3.479 -10.037 -7.405 202 HD13 ILE 28 2HD1 ILE 28 -4.685 -9.140 -8.327 203 H VAL 29 H VAL 29 -2.125 -5.342 -4.519 204 HA VAL 29 HA VAL 29 -3.354 -4.556 -2.017 205 HB VAL 29 HB VAL 29 -1.109 -3.236 -3.550 206 HG11 VAL 29 1HG1 VAL 29 -2.608 -2.440 -1.230 207 HG12 VAL 29 2HG1 VAL 29 -0.914 -2.699 -0.809 208 HG13 VAL 29 3HG1 VAL 29 -1.342 -1.571 -2.096 209 HG21 VAL 29 3HG2 VAL 29 -0.905 -5.680 -2.589 210 HG22 VAL 29 1HG2 VAL 29 0.410 -4.519 -2.414 211 HG23 VAL 29 2HG2 VAL 29 -0.685 -4.821 -1.065 212 H SER 30 H SER 30 -5.290 -3.594 -2.245 213 HA SER 30 HA SER 30 -5.688 -1.622 -4.362 214 HB2 SER 30 1HB SER 30 -8.031 -1.767 -3.871 215 HB3 SER 30 2HB SER 30 -7.401 -3.415 -3.880 216 HG SER 30 HG SER 30 -8.370 -1.888 -1.773 217 H TRP 31 H TRP 31 -6.990 0.363 -3.708 218 HA TRP 31 HA TRP 31 -6.874 1.387 -1.090 219 HB2 TRP 31 1HB TRP 31 -5.072 2.998 -1.269 220 HB3 TRP 31 2HB TRP 31 -4.434 1.381 -1.554 221 HD1 TRP 31 HD TRP 31 -5.255 4.639 -3.420 222 HE1 TRP 31 1HE TRP 31 -3.945 4.658 -5.635 223 HE3 TRP 31 3HE TRP 31 -3.329 -0.095 -3.265 224 HZ2 TRP 31 2HZ TRP 31 -2.312 2.899 -7.121 225 HZ3 TRP 31 3HZ TRP 31 -1.903 -0.849 -5.123 226 HH2 TRP 31 HH TRP 31 -1.407 0.618 -7.010 227 H GLN 32 H GLN 32 -6.854 4.016 -1.336 228 HA GLN 32 HA GLN 32 -8.386 4.789 -3.694 229 HB2 GLN 32 1HB GLN 32 -9.436 4.767 -0.885 230 HB3 GLN 32 2HB GLN 32 -10.017 5.963 -2.036 231 HG2 GLN 32 1HG GLN 32 -10.282 3.707 -3.493 232 HG3 GLN 32 2HG GLN 32 -10.550 3.081 -1.867 233 HE21 GLN 32 1HE2 GLN 32 -11.522 5.750 -3.985 234 HE22 GLN 32 2HE2 GLN 32 -13.163 5.807 -3.449 235 HA PRO 33 HA PRO 33 -6.286 8.618 -3.295 236 HB2 PRO 33 1HB PRO 33 -8.149 10.384 -4.180 237 HB3 PRO 33 2HB PRO 33 -7.302 9.263 -5.252 238 HG2 PRO 33 1HG PRO 33 -10.038 9.040 -4.059 239 HG3 PRO 33 2HG PRO 33 -9.505 8.676 -5.710 240 HD2 PRO 33 1HD PRO 33 -9.892 6.750 -3.846 241 HD3 PRO 33 2HD PRO 33 -8.660 6.615 -5.117 242 HA PRO 34 HA PRO 34 -7.413 10.169 0.714 243 HB2 PRO 34 1HB PRO 34 -5.498 12.087 0.866 244 HB3 PRO 34 2HB PRO 34 -5.155 10.368 1.093 245 HG2 PRO 34 1HG PRO 34 -4.765 12.072 -1.337 246 HG3 PRO 34 2HG PRO 34 -3.685 10.848 -0.643 247 HD2 PRO 34 1HD PRO 34 -5.274 10.348 -2.778 248 HD3 PRO 34 2HD PRO 34 -4.856 9.100 -1.586 249 H LEU 35 H LEU 35 -8.054 12.224 1.705 250 HA LEU 35 HA LEU 35 -9.592 13.822 -0.158 251 HB2 LEU 35 1HB LEU 35 -9.518 13.432 2.780 252 HB3 LEU 35 2HB LEU 35 -10.125 14.975 2.184 253 HG LEU 35 HG LEU 35 -11.962 13.463 2.619 254 HD11 LEU 35 1HD1 LEU 35 -11.661 13.594 -0.365 255 HD12 LEU 35 2HD1 LEU 35 -11.939 15.034 0.615 256 HD13 LEU 35 3HD1 LEU 35 -13.128 13.732 0.604 257 HD21 LEU 35 3HD2 LEU 35 -11.272 11.294 2.459 258 HD22 LEU 35 1HD2 LEU 35 -10.301 11.591 1.017 259 HD23 LEU 35 2HD2 LEU 35 -12.055 11.465 0.888 260 H GLU 36 H GLU 36 -6.811 14.181 1.953 261 HA GLU 36 HA GLU 36 -6.617 17.030 1.466 262 HB2 GLU 36 1HB GLU 36 -4.702 15.159 2.870 263 HB3 GLU 36 2HB GLU 36 -4.602 16.914 2.860 264 HG2 GLU 36 1HG GLU 36 -6.850 16.958 3.960 265 HG3 GLU 36 2HG GLU 36 -6.723 15.208 4.134 266 H ALA 37 H ALA 37 -6.461 15.155 -0.796 267 HA ALA 37 HA ALA 37 -3.861 14.787 -1.735 268 HB1 ALA 37 3HB ALA 37 -4.898 14.700 -3.989 269 HB2 ALA 37 1HB ALA 37 -5.712 13.688 -2.796 270 HB3 ALA 37 2HB ALA 37 -6.416 15.235 -3.268 271 H ASN 38 H ASN 38 -5.506 17.668 -1.175 272 HA ASN 38 HA ASN 38 -5.196 19.844 -1.797 273 HB2 ASN 38 1HB ASN 38 -2.397 18.726 -1.785 274 HB3 ASN 38 2HB ASN 38 -2.713 20.435 -2.074 275 HD21 ASN 38 1HD2 ASN 38 -1.614 18.562 0.188 276 HD22 ASN 38 2HD2 ASN 38 -2.291 19.275 1.608 277 H GLY 39 H GLY 39 -5.916 18.068 -3.948 278 HA2 GLY 39 1HA GLY 39 -6.043 19.526 -6.142 279 HA3 GLY 39 2HA GLY 39 -4.361 19.025 -6.231 280 H LYS 40 H LYS 40 -4.222 17.551 -7.791 281 HA LYS 40 HA LYS 40 -6.067 15.261 -7.679 282 HB2 LYS 40 1HB LYS 40 -6.803 16.552 -9.551 283 HB3 LYS 40 2HB LYS 40 -5.154 16.789 -10.116 284 HG2 LYS 40 1HG LYS 40 -5.178 14.163 -10.261 285 HG3 LYS 40 2HG LYS 40 -6.923 14.414 -10.359 286 HD2 LYS 40 1HD LYS 40 -6.723 15.716 -12.320 287 HD3 LYS 40 2HD LYS 40 -4.978 15.890 -12.117 288 HE2 LYS 40 1HE LYS 40 -6.255 13.202 -12.503 289 HE3 LYS 40 2HE LYS 40 -5.835 14.226 -13.875 290 HZ1 LYS 40 3HZ LYS 40 -3.543 14.242 -13.119 291 HZ2 LYS 40 1HZ LYS 40 -4.073 12.654 -13.364 292 HZ3 LYS 40 2HZ LYS 40 -3.944 13.269 -11.794 293 H ILE 41 H ILE 41 -4.891 13.565 -7.084 294 HA ILE 41 HA ILE 41 -2.149 13.308 -7.120 295 HB ILE 41 HB ILE 41 -4.122 11.041 -7.414 296 HG12 ILE 41 1HG1 ILE 41 -4.726 12.415 -5.511 297 HG13 ILE 41 2HG1 ILE 41 -3.986 10.926 -4.932 298 HG21 ILE 41 1HG2 ILE 41 -2.148 9.958 -7.704 299 HG22 ILE 41 2HG2 ILE 41 -1.218 11.191 -6.854 300 HG23 ILE 41 3HG2 ILE 41 -2.158 10.010 -5.942 301 HD11 ILE 41 3HD1 ILE 41 -2.980 13.714 -4.829 302 HD12 ILE 41 1HD1 ILE 41 -2.946 12.449 -3.601 303 HD13 ILE 41 2HD1 ILE 41 -1.810 12.400 -4.950 304 H THR 42 H THR 42 -0.689 12.127 -8.439 305 HA THR 42 HA THR 42 -1.580 11.763 -11.225 306 HB THR 42 HB THR 42 0.695 12.485 -11.949 307 HG1 THR 42 1HG THR 42 1.109 12.471 -9.281 308 HG21 THR 42 3HG2 THR 42 -0.447 14.745 -10.367 309 HG22 THR 42 1HG2 THR 42 -1.427 14.002 -11.630 310 HG23 THR 42 2HG2 THR 42 0.134 14.719 -12.032 311 H ALA 43 H ALA 43 0.476 10.702 -8.601 312 HA ALA 43 HA ALA 43 0.740 8.102 -9.906 313 HB1 ALA 43 3HB ALA 43 2.780 9.587 -10.365 314 HB2 ALA 43 1HB ALA 43 3.166 9.349 -8.660 315 HB3 ALA 43 2HB ALA 43 3.064 7.961 -9.744 316 H TYR 44 H TYR 44 1.330 6.385 -8.434 317 HA TYR 44 HA TYR 44 0.884 7.051 -5.601 318 HB2 TYR 44 1HB TYR 44 -0.392 4.873 -7.245 319 HB3 TYR 44 2HB TYR 44 -0.303 4.776 -5.490 320 HD1 TYR 44 2HD TYR 44 -1.134 7.026 -4.277 321 HD2 TYR 44 1HD TYR 44 -2.329 5.729 -8.149 322 HE1 TYR 44 2HE TYR 44 -3.179 8.382 -4.094 323 HE2 TYR 44 1HE TYR 44 -4.377 7.081 -7.977 324 HH TYR 44 HH TYR 44 -5.655 8.152 -5.314 325 H ILE 45 H ILE 45 2.585 6.496 -4.430 326 HA ILE 45 HA ILE 45 4.349 4.357 -5.391 327 HB ILE 45 HB ILE 45 4.938 6.312 -3.173 328 HG12 ILE 45 1HG1 ILE 45 6.369 7.401 -5.043 329 HG13 ILE 45 2HG1 ILE 45 5.285 6.566 -6.149 330 HG21 ILE 45 1HG2 ILE 45 6.314 4.302 -3.208 331 HG22 ILE 45 2HG2 ILE 45 6.724 4.601 -4.897 332 HG23 ILE 45 3HG2 ILE 45 7.265 5.721 -3.646 333 HD11 ILE 45 3HD1 ILE 45 4.170 8.285 -3.982 334 HD12 ILE 45 1HD1 ILE 45 4.794 9.009 -5.464 335 HD13 ILE 45 2HD1 ILE 45 3.470 7.846 -5.540 336 H LEU 46 H LEU 46 4.131 2.420 -4.509 337 HA LEU 46 HA LEU 46 2.956 2.194 -1.829 338 HB2 LEU 46 1HB LEU 46 1.702 0.900 -3.295 339 HB3 LEU 46 2HB LEU 46 3.123 0.355 -4.181 340 HG LEU 46 HG LEU 46 3.693 -0.881 -1.955 341 HD11 LEU 46 1HD1 LEU 46 0.914 0.026 -1.545 342 HD12 LEU 46 2HD1 LEU 46 2.175 -0.349 -0.370 343 HD13 LEU 46 3HD1 LEU 46 1.263 -1.653 -1.131 344 HD21 LEU 46 3HD2 LEU 46 2.085 -2.754 -2.728 345 HD22 LEU 46 1HD2 LEU 46 3.348 -2.202 -3.829 346 HD23 LEU 46 2HD2 LEU 46 1.688 -1.645 -4.042 347 H PHE 47 H PHE 47 3.914 0.921 -0.229 348 HA PHE 47 HA PHE 47 6.657 0.008 -0.745 349 HB2 PHE 47 1HB PHE 47 5.849 1.541 1.731 350 HB3 PHE 47 2HB PHE 47 7.468 1.004 1.295 351 HD1 PHE 47 1HD PHE 47 4.703 3.064 -0.134 352 HD2 PHE 47 2HD PHE 47 8.894 2.567 0.417 353 HE1 PHE 47 1HE PHE 47 5.103 5.211 -1.267 354 HE2 PHE 47 2HE PHE 47 9.300 4.714 -0.714 355 HZ PHE 47 HZ PHE 47 7.404 6.039 -1.557 356 H TYR 48 H TYR 48 7.208 -1.879 0.216 357 HA TYR 48 HA TYR 48 5.568 -2.953 2.369 358 HB2 TYR 48 1HB TYR 48 5.156 -5.069 1.203 359 HB3 TYR 48 2HB TYR 48 4.433 -3.721 0.331 360 HD1 TYR 48 2HD TYR 48 5.422 -2.941 -1.787 361 HD2 TYR 48 1HD TYR 48 6.938 -6.359 0.244 362 HE1 TYR 48 2HE TYR 48 6.607 -3.623 -3.831 363 HE2 TYR 48 1HE TYR 48 8.128 -7.049 -1.795 364 HH TYR 48 HH TYR 48 8.996 -6.037 -3.852 365 H THR 49 H THR 49 6.604 -4.496 3.618 366 HA THR 49 HA THR 49 9.060 -5.726 2.869 367 HB THR 49 HB THR 49 9.807 -3.359 3.308 368 HG1 THR 49 1HG THR 49 11.091 -4.780 5.286 369 HG21 THR 49 3HG2 THR 49 9.947 -2.599 5.611 370 HG22 THR 49 1HG2 THR 49 9.146 -4.067 6.169 371 HG23 THR 49 2HG2 THR 49 8.264 -2.903 5.180 372 H LEU 50 H LEU 50 9.701 -7.312 4.320 373 HA LEU 50 HA LEU 50 7.686 -8.140 6.198 374 HB2 LEU 50 1HB LEU 50 9.231 -10.061 6.581 375 HB3 LEU 50 2HB LEU 50 8.716 -9.844 4.910 376 HG LEU 50 HG LEU 50 10.990 -8.574 4.678 377 HD11 LEU 50 1HD1 LEU 50 12.721 -9.280 6.130 378 HD12 LEU 50 2HD1 LEU 50 11.669 -10.443 6.935 379 HD13 LEU 50 3HD1 LEU 50 11.403 -8.714 7.157 380 HD21 LEU 50 3HD2 LEU 50 11.816 -11.280 4.801 381 HD22 LEU 50 1HD2 LEU 50 11.346 -10.339 3.386 382 HD23 LEU 50 2HD2 LEU 50 10.131 -11.255 4.279 383 H ASP 51 H ASP 51 10.463 -6.211 6.348 384 HA ASP 51 HA ASP 51 10.498 -6.443 9.285 385 HB2 ASP 51 1HB ASP 51 12.763 -6.273 7.337 386 HB3 ASP 51 2HB ASP 51 12.954 -5.557 8.935 387 H LYS 52 H LYS 52 9.875 -4.652 10.276 388 HA LYS 52 HA LYS 52 9.697 -2.163 8.783 389 HB2 LYS 52 1HB LYS 52 8.415 -1.344 10.702 390 HB3 LYS 52 2HB LYS 52 7.774 -2.874 10.119 391 HG2 LYS 52 1HG LYS 52 8.880 -4.052 11.934 392 HG3 LYS 52 2HG LYS 52 9.582 -2.536 12.505 393 HD2 LYS 52 1HD LYS 52 7.740 -2.758 13.883 394 HD3 LYS 52 2HD LYS 52 7.105 -1.737 12.591 395 HE2 LYS 52 1HE LYS 52 6.207 -3.771 11.494 396 HE3 LYS 52 2HE LYS 52 6.756 -4.720 12.875 397 HZ1 LYS 52 3HZ LYS 52 4.840 -2.461 13.065 398 HZ2 LYS 52 1HZ LYS 52 5.275 -3.532 14.300 399 HZ3 LYS 52 2HZ LYS 52 4.383 -4.088 12.975 400 H ASN 53 H ASN 53 11.642 -3.627 11.241 401 HA ASN 53 HA ASN 53 12.680 -1.560 12.674 402 HB2 ASN 53 1HB ASN 53 14.032 -3.998 11.532 403 HB3 ASN 53 2HB ASN 53 14.892 -2.865 12.570 404 HD21 ASN 53 1HD2 ASN 53 12.161 -5.062 12.395 405 HD22 ASN 53 2HD2 ASN 53 12.044 -5.348 14.095 406 H ILE 54 H ILE 54 13.219 -2.264 9.304 407 HA ILE 54 HA ILE 54 15.413 -0.416 9.026 408 HB ILE 54 HB ILE 54 14.980 -0.790 6.538 409 HG12 ILE 54 1HG1 ILE 54 13.243 -3.032 7.579 410 HG13 ILE 54 2HG1 ILE 54 12.597 -1.533 6.919 411 HG21 ILE 54 1HG2 ILE 54 16.702 -1.949 7.915 412 HG22 ILE 54 2HG2 ILE 54 15.544 -3.251 8.179 413 HG23 ILE 54 3HG2 ILE 54 16.116 -2.898 6.549 414 HD11 ILE 54 3HD1 ILE 54 12.645 -2.482 4.925 415 HD12 ILE 54 1HD1 ILE 54 14.406 -2.468 5.012 416 HD13 ILE 54 2HD1 ILE 54 13.507 -3.884 5.557 417 HA PRO 55 HA PRO 55 13.209 3.297 8.236 418 HB2 PRO 55 1HB PRO 55 14.781 4.469 6.359 419 HB3 PRO 55 2HB PRO 55 15.250 4.337 8.058 420 HG2 PRO 55 1HG PRO 55 16.060 2.636 5.731 421 HG3 PRO 55 2HG PRO 55 17.056 3.269 7.054 422 HD2 PRO 55 1HD PRO 55 16.148 0.719 7.006 423 HD3 PRO 55 2HD PRO 55 16.383 1.620 8.517 424 H ILE 56 H ILE 56 11.508 3.901 7.029 425 HA ILE 56 HA ILE 56 10.279 2.464 5.131 426 HB ILE 56 HB ILE 56 9.362 4.546 6.118 427 HG12 ILE 56 1HG1 ILE 56 8.172 5.305 4.034 428 HG13 ILE 56 2HG1 ILE 56 9.263 4.280 3.108 429 HG21 ILE 56 1HG2 ILE 56 10.070 6.641 5.593 430 HG22 ILE 56 2HG2 ILE 56 11.588 5.777 5.354 431 HG23 ILE 56 3HG2 ILE 56 10.578 6.183 3.967 432 HD11 ILE 56 3HD1 ILE 56 8.288 2.562 5.005 433 HD12 ILE 56 1HD1 ILE 56 6.898 3.587 4.648 434 HD13 ILE 56 2HD1 ILE 56 7.706 2.712 3.347 435 H ASP 57 H ASP 57 13.093 4.444 4.631 436 HA ASP 57 HA ASP 57 12.976 4.599 1.805 437 HB2 ASP 57 1HB ASP 57 15.201 4.902 3.810 438 HB3 ASP 57 2HB ASP 57 15.511 4.987 2.078 439 H ASP 58 H ASP 58 14.675 2.392 4.010 440 HA ASP 58 HA ASP 58 15.939 0.841 2.045 441 HB2 ASP 58 1HB ASP 58 16.143 0.900 4.694 442 HB3 ASP 58 2HB ASP 58 15.023 -0.454 4.571 443 H TRP 59 H TRP 59 12.668 0.908 3.154 444 HA TRP 59 HA TRP 59 11.810 -1.663 2.511 445 HB2 TRP 59 1HB TRP 59 10.301 0.952 2.318 446 HB3 TRP 59 2HB TRP 59 9.557 -0.643 2.257 447 HD1 TRP 59 HD TRP 59 12.370 -0.055 4.750 448 HE1 TRP 59 1HE TRP 59 11.394 -0.087 7.132 449 HE3 TRP 59 3HE TRP 59 7.391 -0.125 3.588 450 HZ2 TRP 59 2HZ TRP 59 8.851 -0.135 8.356 451 HZ3 TRP 59 3HZ TRP 59 5.753 -0.164 5.423 452 HH2 TRP 59 HH TRP 59 6.469 -0.169 7.757 453 H ILE 60 H ILE 60 10.225 -2.121 0.661 454 HA ILE 60 HA ILE 60 11.611 -1.502 -1.825 455 HB ILE 60 HB ILE 60 9.344 -3.428 -1.296 456 HG12 ILE 60 1HG1 ILE 60 11.351 -5.048 -1.844 457 HG13 ILE 60 2HG1 ILE 60 12.326 -3.686 -1.302 458 HG21 ILE 60 1HG2 ILE 60 11.030 -3.766 -3.676 459 HG22 ILE 60 2HG2 ILE 60 9.287 -3.945 -3.482 460 HG23 ILE 60 3HG2 ILE 60 9.990 -2.342 -3.694 461 HD11 ILE 60 3HD1 ILE 60 10.142 -4.970 0.318 462 HD12 ILE 60 1HD1 ILE 60 11.860 -5.342 0.466 463 HD13 ILE 60 2HD1 ILE 60 11.271 -3.724 0.851 464 H MET 61 H MET 61 11.013 0.474 -2.552 465 HA MET 61 HA MET 61 8.269 1.357 -2.452 466 HB2 MET 61 1HB MET 61 10.100 2.959 -2.158 467 HB3 MET 61 2HB MET 61 10.691 2.594 -3.774 468 HG2 MET 61 1HG MET 61 8.130 3.289 -4.308 469 HG3 MET 61 2HG MET 61 8.475 4.307 -2.912 470 HE1 MET 61 3HE MET 61 9.437 3.693 -6.804 471 HE2 MET 61 1HE MET 61 11.102 4.263 -6.683 472 HE3 MET 61 2HE MET 61 10.580 2.864 -5.745 473 H GLU 62 H GLU 62 6.826 1.489 -4.114 474 HA GLU 62 HA GLU 62 7.687 0.512 -6.749 475 HB2 GLU 62 1HB GLU 62 5.549 -0.567 -4.983 476 HB3 GLU 62 2HB GLU 62 5.223 -0.510 -6.709 477 HG2 GLU 62 1HG GLU 62 7.344 -2.040 -5.254 478 HG3 GLU 62 2HG GLU 62 6.086 -2.642 -6.332 479 H THR 63 H THR 63 7.107 1.823 -8.346 480 HA THR 63 HA THR 63 5.369 4.070 -7.799 481 HB THR 63 HB THR 63 6.755 3.348 -10.387 482 HG1 THR 63 1HG THR 63 8.500 4.266 -9.581 483 HG21 THR 63 3HG2 THR 63 4.804 5.268 -9.850 484 HG22 THR 63 1HG2 THR 63 5.857 5.195 -11.262 485 HG23 THR 63 2HG2 THR 63 6.326 6.157 -9.860 486 H ILE 64 H ILE 64 3.368 4.441 -8.632 487 HA ILE 64 HA ILE 64 2.246 2.471 -10.494 488 HB ILE 64 HB ILE 64 0.698 3.432 -8.096 489 HG12 ILE 64 1HG1 ILE 64 1.728 0.636 -8.273 490 HG13 ILE 64 2HG1 ILE 64 2.836 1.897 -7.742 491 HG21 ILE 64 1HG2 ILE 64 -0.900 2.705 -9.539 492 HG22 ILE 64 2HG2 ILE 64 0.197 1.608 -10.375 493 HG23 ILE 64 3HG2 ILE 64 -0.478 1.156 -8.810 494 HD11 ILE 64 3HD1 ILE 64 0.172 1.750 -6.448 495 HD12 ILE 64 1HD1 ILE 64 1.369 0.520 -6.043 496 HD13 ILE 64 2HD1 ILE 64 1.734 2.226 -5.782 497 H SER 65 H SER 65 0.457 3.216 -11.720 498 HA SER 65 HA SER 65 0.617 5.957 -12.441 499 HB2 SER 65 1HB SER 65 -0.135 3.823 -13.816 500 HB3 SER 65 2HB SER 65 -1.734 4.291 -13.239 501 HG SER 65 HG SER 65 -1.452 6.303 -14.211 502 H GLY 66 H GLY 66 -0.572 7.676 -11.842 503 HA2 GLY 66 1HA GLY 66 -2.057 7.655 -9.471 504 HA3 GLY 66 2HA GLY 66 -2.064 8.953 -10.656 505 H ASP 67 H ASP 67 -2.994 6.674 -12.587 506 HA ASP 67 HA ASP 67 -5.786 7.303 -12.337 507 HB2 ASP 67 1HB ASP 67 -4.748 7.126 -14.545 508 HB3 ASP 67 2HB ASP 67 -4.348 5.438 -14.237 509 H ARG 68 H ARG 68 -3.793 4.398 -11.960 510 HA ARG 68 HA ARG 68 -6.065 2.781 -11.206 511 HB2 ARG 68 1HB ARG 68 -3.125 2.109 -11.007 512 HB3 ARG 68 2HB ARG 68 -4.472 0.979 -10.958 513 HG2 ARG 68 1HG ARG 68 -4.933 1.255 -13.239 514 HG3 ARG 68 2HG ARG 68 -3.954 2.720 -13.344 515 HD2 ARG 68 1HD ARG 68 -1.972 1.245 -12.733 516 HD3 ARG 68 2HD ARG 68 -3.032 -0.126 -13.056 517 HE ARG 68 HE ARG 68 -3.262 1.329 -15.307 518 HH11 ARG 68 1HH1 ARG 68 -0.504 0.210 -13.500 519 HH12 ARG 68 2HH1 ARG 68 0.522 0.088 -14.891 520 HH21 ARG 68 1HH2 ARG 68 -1.921 1.172 -17.146 521 HH22 ARG 68 2HH2 ARG 68 -0.285 0.636 -16.964 522 H LEU 69 H LEU 69 -6.362 1.799 -9.158 523 HA LEU 69 HA LEU 69 -5.080 3.252 -6.937 524 HB2 LEU 69 1HB LEU 69 -7.896 2.203 -7.158 525 HB3 LEU 69 2HB LEU 69 -7.187 2.839 -5.675 526 HG LEU 69 HG LEU 69 -7.489 4.462 -8.195 527 HD11 LEU 69 1HD1 LEU 69 -9.626 3.522 -6.945 528 HD12 LEU 69 2HD1 LEU 69 -9.560 5.168 -7.574 529 HD13 LEU 69 3HD1 LEU 69 -9.273 4.867 -5.860 530 HD21 LEU 69 3HD2 LEU 69 -6.842 5.129 -5.330 531 HD22 LEU 69 1HD2 LEU 69 -7.289 6.335 -6.538 532 HD23 LEU 69 2HD2 LEU 69 -5.828 5.370 -6.754 533 H THR 70 H THR 70 -4.573 0.583 -8.358 534 HA THR 70 HA THR 70 -4.291 -0.973 -5.888 535 HB THR 70 HB THR 70 -5.145 -2.964 -6.778 536 HG1 THR 70 1HG THR 70 -4.321 -3.080 -8.809 537 HG21 THR 70 3HG2 THR 70 -6.947 -0.856 -7.968 538 HG22 THR 70 1HG2 THR 70 -6.891 -1.255 -6.252 539 HG23 THR 70 2HG2 THR 70 -7.406 -2.469 -7.423 540 H HIS 71 H HIS 71 -2.685 -2.704 -6.064 541 HA HIS 71 HA HIS 71 -0.834 -2.530 -8.303 542 HB2 HIS 71 1HB HIS 71 0.079 -0.827 -6.888 543 HB3 HIS 71 2HB HIS 71 -0.076 -1.847 -5.460 544 HD1 HIS 71 1HD HIS 71 2.067 -1.300 -8.478 545 HD2 HIS 71 2HD HIS 71 1.970 -3.715 -5.098 546 HE1 HIS 71 1HE HIS 71 4.325 -2.402 -8.375 547 HE2 HIS 71 2HE HIS 71 4.213 -3.924 -6.371 548 H GLN 72 H GLN 72 -0.082 -4.484 -8.813 549 HA GLN 72 HA GLN 72 -0.508 -6.666 -6.900 550 HB2 GLN 72 1HB GLN 72 -1.495 -6.701 -9.264 551 HB3 GLN 72 2HB GLN 72 0.150 -6.974 -9.823 552 HG2 GLN 72 1HG GLN 72 0.083 -8.917 -8.060 553 HG3 GLN 72 2HG GLN 72 -1.658 -8.768 -8.294 554 HE21 GLN 72 1HE2 GLN 72 -2.444 -8.911 -10.517 555 HE22 GLN 72 2HE2 GLN 72 -1.621 -9.950 -11.624 556 H ILE 73 H ILE 73 1.161 -7.572 -5.904 557 HA ILE 73 HA ILE 73 3.866 -6.963 -6.865 558 HB ILE 73 HB ILE 73 3.062 -8.083 -4.179 559 HG12 ILE 73 1HG1 ILE 73 3.899 -5.243 -4.738 560 HG13 ILE 73 2HG1 ILE 73 2.209 -5.733 -4.776 561 HG21 ILE 73 1HG2 ILE 73 5.375 -7.110 -3.613 562 HG22 ILE 73 2HG2 ILE 73 5.301 -8.629 -4.504 563 HG23 ILE 73 3HG2 ILE 73 5.645 -7.123 -5.355 564 HD11 ILE 73 3HD1 ILE 73 4.054 -5.442 -2.481 565 HD12 ILE 73 1HD1 ILE 73 2.348 -5.024 -2.629 566 HD13 ILE 73 2HD1 ILE 73 2.827 -6.705 -2.395 567 H MET 74 H MET 74 5.395 -8.558 -7.206 568 HA MET 74 HA MET 74 4.429 -11.337 -7.120 569 HB2 MET 74 1HB MET 74 6.033 -10.045 -9.333 570 HB3 MET 74 2HB MET 74 5.653 -11.759 -9.232 571 HG2 MET 74 1HG MET 74 3.186 -10.877 -9.111 572 HG3 MET 74 2HG MET 74 3.890 -9.458 -9.883 573 HE1 MET 74 3HE MET 74 2.956 -9.273 -11.917 574 HE2 MET 74 1HE MET 74 4.539 -9.490 -12.664 575 HE3 MET 74 2HE MET 74 3.135 -10.337 -13.313 576 H ASP 75 H ASP 75 6.061 -12.951 -6.878 577 HA ASP 75 HA ASP 75 7.995 -13.847 -6.071 578 HB2 ASP 75 1HB ASP 75 8.954 -12.069 -7.752 579 HB3 ASP 75 2HB ASP 75 9.419 -11.222 -6.279 580 H LEU 76 H LEU 76 6.235 -13.261 -4.205 581 HA LEU 76 HA LEU 76 7.627 -11.728 -2.122 582 HB2 LEU 76 1HB LEU 76 4.772 -12.477 -2.580 583 HB3 LEU 76 2HB LEU 76 5.328 -12.103 -0.950 584 HG LEU 76 HG LEU 76 5.386 -10.251 -3.332 585 HD11 LEU 76 1HD1 LEU 76 3.785 -8.947 -1.943 586 HD12 LEU 76 2HD1 LEU 76 3.706 -10.314 -0.832 587 HD13 LEU 76 3HD1 LEU 76 3.157 -10.499 -2.498 588 HD21 LEU 76 3HD2 LEU 76 6.369 -9.908 -0.506 589 HD22 LEU 76 1HD2 LEU 76 6.063 -8.561 -1.604 590 HD23 LEU 76 2HD2 LEU 76 7.294 -9.760 -2.001 591 H ASN 77 H ASN 77 7.738 -12.593 0.033 592 HA ASN 77 HA ASN 77 8.450 -15.372 0.047 593 HB2 ASN 77 1HB ASN 77 8.490 -13.170 2.091 594 HB3 ASN 77 2HB ASN 77 8.767 -14.841 2.575 595 HD21 ASN 77 1HD2 ASN 77 10.678 -12.907 2.932 596 HD22 ASN 77 2HD2 ASN 77 12.013 -13.215 1.879 597 H LEU 78 H LEU 78 7.418 -17.070 1.008 598 HA LEU 78 HA LEU 78 4.597 -16.674 1.609 599 HB2 LEU 78 1HB LEU 78 6.318 -19.056 1.045 600 HB3 LEU 78 2HB LEU 78 4.730 -19.257 1.783 601 HG LEU 78 HG LEU 78 3.694 -18.200 -0.173 602 HD11 LEU 78 1HD1 LEU 78 6.463 -17.557 -0.777 603 HD12 LEU 78 2HD1 LEU 78 4.973 -16.830 -1.377 604 HD13 LEU 78 3HD1 LEU 78 5.615 -18.283 -2.143 605 HD21 LEU 78 3HD2 LEU 78 4.139 -20.014 -1.776 606 HD22 LEU 78 1HD2 LEU 78 3.910 -20.612 -0.132 607 HD23 LEU 78 2HD2 LEU 78 5.534 -20.504 -0.812 608 H ASP 79 H ASP 79 3.608 -17.653 3.489 609 HA ASP 79 HA ASP 79 3.411 -17.680 5.770 610 HB2 ASP 79 1HB ASP 79 4.837 -19.373 6.863 611 HB3 ASP 79 2HB ASP 79 4.175 -19.956 5.338 612 H THR 80 H THR 80 4.603 -15.343 4.998 613 HA THR 80 HA THR 80 6.370 -14.826 7.276 614 HB THR 80 HB THR 80 6.974 -13.909 4.457 615 HG1 THR 80 1HG THR 80 7.523 -16.164 5.282 616 HG21 THR 80 3HG2 THR 80 8.870 -12.770 5.346 617 HG22 THR 80 1HG2 THR 80 8.601 -13.443 6.953 618 HG23 THR 80 2HG2 THR 80 7.474 -12.257 6.294 619 H MET 81 H MET 81 6.125 -12.828 8.201 620 HA MET 81 HA MET 81 3.719 -11.410 7.592 621 HB2 MET 81 1HB MET 81 4.871 -11.756 9.888 622 HB3 MET 81 2HB MET 81 5.866 -10.382 9.425 623 HG2 MET 81 1HG MET 81 4.239 -9.277 10.539 624 HG3 MET 81 2HG MET 81 3.502 -9.303 8.938 625 HE1 MET 81 3HE MET 81 1.731 -10.172 8.240 626 HE2 MET 81 1HE MET 81 1.142 -11.774 8.683 627 HE3 MET 81 2HE MET 81 0.345 -10.335 9.319 628 H TYR 82 H TYR 82 3.434 -9.654 6.367 629 HA TYR 82 HA TYR 82 5.804 -8.121 5.537 630 HB2 TYR 82 1HB TYR 82 3.757 -9.462 3.851 631 HB3 TYR 82 2HB TYR 82 4.301 -7.871 3.332 632 HD1 TYR 82 1HD TYR 82 7.082 -7.748 3.786 633 HD2 TYR 82 2HD TYR 82 4.774 -11.133 2.640 634 HE1 TYR 82 1HE TYR 82 9.081 -8.758 2.770 635 HE2 TYR 82 2HE TYR 82 6.767 -12.154 1.621 636 HH TYR 82 HH TYR 82 9.939 -10.837 2.068 637 H TYR 83 H TYR 83 5.617 -6.020 5.924 638 HA TYR 83 HA TYR 83 3.033 -4.943 6.715 639 HB2 TYR 83 1HB TYR 83 5.707 -3.536 6.699 640 HB3 TYR 83 2HB TYR 83 4.254 -3.058 7.570 641 HD1 TYR 83 1HD TYR 83 3.390 -5.556 8.812 642 HD2 TYR 83 2HD TYR 83 7.314 -3.989 8.311 643 HE1 TYR 83 1HE TYR 83 4.143 -6.832 10.774 644 HE2 TYR 83 2HE TYR 83 8.079 -5.263 10.272 645 HH TYR 83 HH TYR 83 5.822 -7.091 12.269 646 H PHE 84 H PHE 84 1.863 -3.498 5.584 647 HA PHE 84 HA PHE 84 2.922 -2.677 2.964 648 HB2 PHE 84 1HB PHE 84 0.096 -3.180 3.896 649 HB3 PHE 84 2HB PHE 84 0.471 -2.384 2.372 650 HD1 PHE 84 1HD PHE 84 1.435 -3.616 0.527 651 HD2 PHE 84 2HD PHE 84 0.503 -5.537 4.209 652 HE1 PHE 84 1HE PHE 84 1.645 -5.810 -0.568 653 HE2 PHE 84 2HE PHE 84 0.712 -7.733 3.120 654 HZ PHE 84 HZ PHE 84 1.285 -7.872 0.729 655 H ARG 85 H ARG 85 2.972 -0.563 2.403 656 HA ARG 85 HA ARG 85 1.527 1.424 3.932 657 HB2 ARG 85 1HB ARG 85 4.543 1.284 3.950 658 HB3 ARG 85 2HB ARG 85 3.638 2.726 4.388 659 HG2 ARG 85 1HG ARG 85 2.462 1.247 6.108 660 HG3 ARG 85 2HG ARG 85 3.760 0.091 5.806 661 HD2 ARG 85 1HD ARG 85 4.692 1.246 7.535 662 HD3 ARG 85 2HD ARG 85 5.261 2.237 6.192 663 HE ARG 85 HE ARG 85 2.736 3.061 7.327 664 HH11 ARG 85 1HH1 ARG 85 6.201 3.390 7.408 665 HH12 ARG 85 2HH1 ARG 85 6.166 4.951 8.158 666 HH21 ARG 85 1HH2 ARG 85 2.677 5.115 8.316 667 HH22 ARG 85 2HH2 ARG 85 4.161 5.931 8.675 668 H ILE 86 H ILE 86 0.574 2.387 2.243 669 HA ILE 86 HA ILE 86 2.256 3.165 -0.046 670 HB ILE 86 HB ILE 86 0.335 1.659 -0.560 671 HG12 ILE 86 1HG1 ILE 86 -0.025 4.402 -1.773 672 HG13 ILE 86 2HG1 ILE 86 1.324 3.345 -2.174 673 HG21 ILE 86 1HG2 ILE 86 -1.064 3.609 1.022 674 HG22 ILE 86 2HG2 ILE 86 -1.806 3.458 -0.570 675 HG23 ILE 86 3HG2 ILE 86 -1.608 2.033 0.450 676 HD11 ILE 86 3HD1 ILE 86 -1.579 3.015 -2.789 677 HD12 ILE 86 1HD1 ILE 86 -0.191 2.952 -3.874 678 HD13 ILE 86 2HD1 ILE 86 -0.499 1.621 -2.757 679 H GLN 87 H GLN 87 1.570 5.212 -1.136 680 HA GLN 87 HA GLN 87 0.292 7.167 0.601 681 HB2 GLN 87 1HB GLN 87 2.178 8.764 0.331 682 HB3 GLN 87 2HB GLN 87 2.591 7.354 1.297 683 HG2 GLN 87 1HG GLN 87 3.527 6.375 -0.872 684 HG3 GLN 87 2HG GLN 87 3.430 8.020 -1.498 685 HE21 GLN 87 1HE2 GLN 87 3.951 8.980 1.323 686 HE22 GLN 87 2HE2 GLN 87 5.663 8.839 1.505 687 H ALA 88 H ALA 88 0.460 9.425 -0.630 688 HA ALA 88 HA ALA 88 -0.246 8.886 -3.441 689 HB1 ALA 88 3HB ALA 88 -2.227 9.490 -2.255 690 HB2 ALA 88 1HB ALA 88 -1.429 10.879 -1.516 691 HB3 ALA 88 2HB ALA 88 -1.758 10.869 -3.250 692 H ARG 89 H ARG 89 0.648 10.126 -5.010 693 HA ARG 89 HA ARG 89 2.325 12.396 -4.178 694 HB2 ARG 89 1HB ARG 89 3.913 10.693 -4.555 695 HB3 ARG 89 2HB ARG 89 3.057 10.093 -5.970 696 HG2 ARG 89 1HG ARG 89 3.672 12.093 -7.210 697 HG3 ARG 89 2HG ARG 89 4.498 12.731 -5.787 698 HD2 ARG 89 1HD ARG 89 6.009 10.782 -5.827 699 HD3 ARG 89 2HD ARG 89 5.208 10.216 -7.292 700 HE ARG 89 HE ARG 89 7.115 12.371 -7.070 701 HH11 ARG 89 1HH1 ARG 89 4.603 10.910 -8.987 702 HH12 ARG 89 2HH1 ARG 89 5.141 11.622 -10.472 703 HH21 ARG 89 1HH2 ARG 89 7.834 13.315 -9.018 704 HH22 ARG 89 2HH2 ARG 89 6.980 12.990 -10.489 705 H ASN 90 H ASN 90 2.042 14.201 -5.336 706 HA ASN 90 HA ASN 90 0.565 13.990 -7.878 707 HB2 ASN 90 1HB ASN 90 -0.334 16.282 -7.321 708 HB3 ASN 90 2HB ASN 90 -0.910 14.984 -6.279 709 HD21 ASN 90 1HD2 ASN 90 -1.424 16.565 -4.713 710 HD22 ASN 90 2HD2 ASN 90 -0.196 17.253 -3.711 711 H SER 91 H SER 91 0.854 16.035 -9.241 712 HA SER 91 HA SER 91 3.325 16.258 -10.267 713 HB2 SER 91 1HB SER 91 1.202 17.409 -11.070 714 HB3 SER 91 2HB SER 91 1.589 18.710 -9.943 715 HG SER 91 HG SER 91 3.763 18.542 -11.134 716 H LYS 92 H LYS 92 2.215 17.754 -7.318 717 HA LYS 92 HA LYS 92 4.478 19.488 -7.014 718 HB2 LYS 92 1HB LYS 92 2.493 18.560 -4.931 719 HB3 LYS 92 2HB LYS 92 3.594 19.924 -4.784 720 HG2 LYS 92 1HG LYS 92 2.438 21.071 -6.592 721 HG3 LYS 92 2HG LYS 92 1.351 19.693 -6.782 722 HD2 LYS 92 1HD LYS 92 1.626 21.139 -4.164 723 HD3 LYS 92 2HD LYS 92 0.515 21.695 -5.418 724 HE2 LYS 92 1HE LYS 92 -0.611 19.533 -5.391 725 HE3 LYS 92 2HE LYS 92 0.520 18.946 -4.172 726 HZ1 LYS 92 3HZ LYS 92 -1.871 20.321 -3.771 727 HZ2 LYS 92 1HZ LYS 92 -0.622 21.349 -3.274 728 HZ3 LYS 92 2HZ LYS 92 -0.762 19.802 -2.604 729 H GLY 93 H GLY 93 3.416 16.859 -4.852 730 HA2 GLY 93 1HA GLY 93 5.972 15.548 -4.966 731 HA3 GLY 93 2HA GLY 93 5.740 16.458 -3.480 732 H VAL 94 H VAL 94 5.930 14.387 -2.405 733 HA VAL 94 HA VAL 94 3.404 12.867 -2.487 734 HB VAL 94 HB VAL 94 5.280 11.532 -3.363 735 HG11 VAL 94 1HG1 VAL 94 7.258 11.206 -2.294 736 HG12 VAL 94 2HG1 VAL 94 6.865 12.793 -1.629 737 HG13 VAL 94 3HG1 VAL 94 6.539 11.336 -0.689 738 HG21 VAL 94 3HG2 VAL 94 4.369 9.696 -2.475 739 HG22 VAL 94 1HG2 VAL 94 4.899 10.123 -0.848 740 HG23 VAL 94 2HG2 VAL 94 3.397 10.788 -1.489 741 H GLY 95 H GLY 95 2.472 12.291 -0.546 742 HA2 GLY 95 1HA GLY 95 3.481 13.756 1.783 743 HA3 GLY 95 2HA GLY 95 1.859 13.107 1.593 744 HA PRO 96 HA PRO 96 4.078 10.298 4.489 745 HB2 PRO 96 1HB PRO 96 1.936 9.929 6.115 746 HB3 PRO 96 2HB PRO 96 3.046 11.294 6.284 747 HG2 PRO 96 1HG PRO 96 0.361 11.188 4.965 748 HG3 PRO 96 2HG PRO 96 1.036 12.435 6.030 749 HD2 PRO 96 1HD PRO 96 0.965 12.702 3.336 750 HD3 PRO 96 2HD PRO 96 2.258 13.402 4.331 751 H LEU 97 H LEU 97 3.114 8.124 5.399 752 HA LEU 97 HA LEU 97 1.659 6.821 3.193 753 HB2 LEU 97 1HB LEU 97 3.622 5.514 5.064 754 HB3 LEU 97 2HB LEU 97 2.888 4.813 3.623 755 HG LEU 97 HG LEU 97 4.147 6.836 2.454 756 HD11 LEU 97 1HD1 LEU 97 5.020 7.816 4.481 757 HD12 LEU 97 2HD1 LEU 97 6.346 7.175 3.512 758 HD13 LEU 97 3HD1 LEU 97 5.780 6.289 4.928 759 HD21 LEU 97 3HD2 LEU 97 5.898 5.309 1.877 760 HD22 LEU 97 1HD2 LEU 97 4.400 4.392 2.040 761 HD23 LEU 97 2HD2 LEU 97 5.606 4.347 3.327 762 H SER 98 H SER 98 0.417 4.880 3.829 763 HA SER 98 HA SER 98 -1.239 5.476 6.092 764 HB2 SER 98 1HB SER 98 -2.516 3.479 5.393 765 HB3 SER 98 2HB SER 98 -2.219 4.570 4.040 766 HG SER 98 HG SER 98 -0.481 2.418 4.589 767 H ASP 99 H ASP 99 -1.877 3.640 7.606 768 HA ASP 99 HA ASP 99 0.355 2.915 9.154 769 HB2 ASP 99 1HB ASP 99 -2.438 1.752 9.226 770 HB3 ASP 99 2HB ASP 99 -1.230 1.611 10.499 771 HA PRO 100 HA PRO 100 1.784 -0.794 7.278 772 HB2 PRO 100 1HB PRO 100 2.884 -2.009 9.442 773 HB3 PRO 100 2HB PRO 100 3.619 -0.611 8.649 774 HG2 PRO 100 1HG PRO 100 1.942 -0.719 11.126 775 HG3 PRO 100 2HG PRO 100 3.420 0.210 10.816 776 HD2 PRO 100 1HD PRO 100 0.951 1.316 10.692 777 HD3 PRO 100 2HD PRO 100 2.293 1.857 9.663 778 H ILE 101 H ILE 101 0.082 -2.037 6.626 779 HA ILE 101 HA ILE 101 -1.643 -3.367 8.508 780 HB ILE 101 HB ILE 101 -1.442 -3.765 5.521 781 HG12 ILE 101 1HG1 ILE 101 -3.203 -1.930 7.159 782 HG13 ILE 101 2HG1 ILE 101 -1.952 -1.444 6.019 783 HG21 ILE 101 1HG2 ILE 101 -3.813 -4.325 7.275 784 HG22 ILE 101 2HG2 ILE 101 -3.510 -4.868 5.625 785 HG23 ILE 101 3HG2 ILE 101 -2.574 -5.539 6.960 786 HD11 ILE 101 3HD1 ILE 101 -3.521 -1.331 4.469 787 HD12 ILE 101 1HD1 ILE 101 -3.678 -3.085 4.569 788 HD13 ILE 101 2HD1 ILE 101 -4.714 -2.048 5.551 789 H LEU 102 H LEU 102 -1.525 -5.409 9.233 790 HA LEU 102 HA LEU 102 0.828 -6.970 8.502 791 HB2 LEU 102 1HB LEU 102 -1.056 -6.912 10.794 792 HB3 LEU 102 2HB LEU 102 -0.270 -8.445 10.421 793 HG LEU 102 HG LEU 102 1.904 -6.941 10.487 794 HD11 LEU 102 1HD1 LEU 102 1.754 -5.207 12.182 795 HD12 LEU 102 2HD1 LEU 102 0.019 -5.480 12.331 796 HD13 LEU 102 3HD1 LEU 102 0.685 -4.845 10.827 797 HD21 LEU 102 3HD2 LEU 102 0.621 -7.681 13.097 798 HD22 LEU 102 1HD2 LEU 102 2.320 -7.773 12.631 799 HD23 LEU 102 2HD2 LEU 102 1.155 -8.908 11.947 800 H PHE 103 H PHE 103 0.590 -8.263 6.798 801 HA PHE 103 HA PHE 103 -1.776 -10.002 6.704 802 HB2 PHE 103 1HB PHE 103 -2.298 -8.435 5.025 803 HB3 PHE 103 2HB PHE 103 -0.628 -8.337 4.476 804 HD1 PHE 103 1HD PHE 103 -3.683 -10.379 4.450 805 HD2 PHE 103 2HD PHE 103 0.251 -9.892 2.900 806 HE1 PHE 103 1HE PHE 103 -4.163 -12.056 2.715 807 HE2 PHE 103 2HE PHE 103 -0.223 -11.567 1.162 808 HZ PHE 103 HZ PHE 103 -2.432 -12.651 1.067 809 H ARG 104 H ARG 104 -0.985 -11.966 7.095 810 HA ARG 104 HA ARG 104 1.685 -12.719 6.331 811 HB2 ARG 104 1HB ARG 104 0.165 -13.484 8.378 812 HB3 ARG 104 2HB ARG 104 -0.300 -14.745 7.243 813 HG2 ARG 104 1HG ARG 104 1.748 -15.732 7.282 814 HG3 ARG 104 2HG ARG 104 2.595 -14.217 7.605 815 HD2 ARG 104 1HD ARG 104 2.811 -15.191 9.650 816 HD3 ARG 104 2HD ARG 104 1.256 -14.394 9.886 817 HE ARG 104 HE ARG 104 0.577 -16.837 8.927 818 HH11 ARG 104 1HH1 ARG 104 2.579 -15.751 11.560 819 HH12 ARG 104 2HH1 ARG 104 2.264 -17.142 12.545 820 HH21 ARG 104 1HH2 ARG 104 0.155 -18.672 10.213 821 HH22 ARG 104 2HH2 ARG 104 0.886 -18.803 11.777 822 H THR 105 H THR 105 2.260 -13.522 4.432 823 HA THR 105 HA THR 105 0.557 -13.936 2.285 824 HB THR 105 HB THR 105 2.452 -15.243 1.262 825 HG1 THR 105 1HG THR 105 4.437 -14.859 2.757 826 HG21 THR 105 3HG2 THR 105 3.775 -12.864 2.383 827 HG22 THR 105 1HG2 THR 105 2.197 -12.572 1.653 828 HG23 THR 105 2HG2 THR 105 3.484 -13.314 0.703 829 H LEU 106 H LEU 106 0.221 -15.999 1.081 830 HA LEU 106 HA LEU 106 -1.211 -17.839 2.644 831 HB2 LEU 106 1HB LEU 106 -0.357 -17.648 -0.182 832 HB3 LEU 106 2HB LEU 106 -0.809 -19.249 0.402 833 HG LEU 106 HG LEU 106 -2.561 -16.791 0.403 834 HD11 LEU 106 1HD1 LEU 106 -3.836 -18.632 -1.094 835 HD12 LEU 106 2HD1 LEU 106 -2.159 -19.028 -1.468 836 HD13 LEU 106 3HD1 LEU 106 -2.765 -17.397 -1.755 837 HD21 LEU 106 3HD2 LEU 106 -4.026 -19.164 0.828 838 HD22 LEU 106 1HD2 LEU 106 -3.798 -17.810 1.935 839 HD23 LEU 106 2HD2 LEU 106 -2.681 -19.174 1.970 840 H LYS 107 H LYS 107 -0.769 -20.292 2.415 841 HA LYS 107 HA LYS 107 2.086 -20.843 2.869 842 HB2 LYS 107 1HB LYS 107 -0.178 -22.011 4.496 843 HB3 LYS 107 2HB LYS 107 1.541 -22.295 4.733 844 HG2 LYS 107 1HG LYS 107 1.199 -20.737 6.345 845 HG3 LYS 107 2HG LYS 107 1.573 -19.664 4.994 846 HD2 LYS 107 1HD LYS 107 -0.344 -18.673 5.741 847 HD3 LYS 107 2HD LYS 107 -1.044 -19.837 4.613 848 HE2 LYS 107 1HE LYS 107 -0.600 -20.672 7.436 849 HE3 LYS 107 2HE LYS 107 -1.947 -19.592 7.080 850 HZ1 LYS 107 3HZ LYS 107 -1.590 -22.391 6.404 851 HZ2 LYS 107 1HZ LYS 107 -2.276 -21.433 5.190 852 HZ3 LYS 107 2HZ LYS 107 -3.009 -21.523 6.712 853 H VAL 108 H VAL 108 2.716 -22.178 1.312 854 HA VAL 108 HA VAL 108 0.856 -23.933 -0.025 855 HB VAL 108 HB VAL 108 2.794 -24.604 -1.396 856 HG11 VAL 108 1HG1 VAL 108 1.522 -22.699 -2.115 857 HG12 VAL 108 2HG1 VAL 108 2.412 -21.637 -1.022 858 HG13 VAL 108 3HG1 VAL 108 3.231 -22.373 -2.400 859 HG21 VAL 108 3HG2 VAL 108 4.454 -24.356 0.479 860 HG22 VAL 108 1HG2 VAL 108 4.966 -23.694 -1.074 861 HG23 VAL 108 2HG2 VAL 108 4.397 -22.615 0.200 862 H SER 109 H SER 109 0.888 -24.668 2.586 863 HA SER 109 HA SER 109 2.784 -26.675 3.228 864 HB2 SER 109 1HB SER 109 0.051 -26.003 4.314 865 HB3 SER 109 2HB SER 109 0.999 -27.352 4.938 866 HG SER 109 HG SER 109 2.707 -25.734 5.261 867 H GLY 110 H GLY 110 -0.622 -26.916 2.185 868 HA2 GLY 110 1HA GLY 110 -0.512 -28.776 0.263 869 HA3 GLY 110 2HA GLY 110 -0.307 -29.764 1.701 870 HA PRO 111 HA PRO 111 -4.862 -28.391 0.832 871 HB2 PRO 111 1HB PRO 111 -5.667 -30.183 -1.043 872 HB3 PRO 111 2HB PRO 111 -5.020 -28.589 -1.452 873 HG2 PRO 111 1HG PRO 111 -3.645 -31.248 -1.448 874 HG3 PRO 111 2HG PRO 111 -3.551 -29.942 -2.644 875 HD2 PRO 111 1HD PRO 111 -1.636 -30.345 -0.773 876 HD3 PRO 111 2HD PRO 111 -2.045 -28.730 -1.388 877 H SER 112 H SER 112 -6.474 -29.371 1.970 878 HA SER 112 HA SER 112 -5.968 -31.387 3.755 879 HB2 SER 112 1HB SER 112 -8.626 -30.615 2.531 880 HB3 SER 112 2HB SER 112 -8.445 -31.626 3.964 881 HG SER 112 HG SER 112 -7.231 -29.790 4.855 882 H SER 113 H SER 113 -5.193 -33.334 3.234 883 HA SER 113 HA SER 113 -5.569 -34.729 0.870 884 HB2 SER 113 1HB SER 113 -5.126 -35.992 3.583 885 HB3 SER 113 2HB SER 113 -4.687 -36.664 2.013 886 HG SER 113 HG SER 113 -3.088 -35.180 1.815 887 H GLY 114 H GLY 114 -7.294 -35.169 3.960 888 HA2 GLY 114 1HA GLY 114 -9.736 -35.812 2.587 889 HA3 GLY 114 2HA GLY 114 -8.988 -37.218 3.332 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -2.333 34.474 -7.406 2 HA2 GLY 1 1HA GLY 1 -0.871 36.739 -7.483 3 HA3 GLY 1 2HA GLY 1 -0.710 36.255 -5.801 4 H SER 2 H SER 2 0.323 34.252 -5.312 5 HA SER 2 HA SER 2 2.130 33.358 -7.460 6 HB2 SER 2 1HB SER 2 3.756 32.812 -5.729 7 HB3 SER 2 2HB SER 2 3.252 34.493 -5.558 8 HG SER 2 HG SER 2 1.593 33.344 -4.055 9 H SER 3 H SER 3 2.529 31.165 -7.729 10 HA SER 3 HA SER 3 0.505 29.410 -6.523 11 HB2 SER 3 1HB SER 3 0.683 29.669 -9.058 12 HB3 SER 3 2HB SER 3 2.198 28.774 -8.940 13 HG SER 3 HG SER 3 1.126 26.991 -8.377 14 H GLY 4 H GLY 4 1.270 28.427 -4.759 15 HA2 GLY 4 1HA GLY 4 4.082 27.662 -4.613 16 HA3 GLY 4 2HA GLY 4 2.917 27.602 -3.298 17 H SER 5 H SER 5 4.848 25.593 -4.418 18 HA SER 5 HA SER 5 2.992 23.491 -5.270 19 HB2 SER 5 1HB SER 5 4.918 22.260 -6.012 20 HB3 SER 5 2HB SER 5 5.102 23.921 -6.577 21 HG SER 5 HG SER 5 6.834 22.575 -5.205 22 H SER 6 H SER 6 2.280 22.040 -3.866 23 HA SER 6 HA SER 6 3.966 21.104 -1.703 24 HB2 SER 6 1HB SER 6 1.396 22.613 -1.206 25 HB3 SER 6 2HB SER 6 2.121 21.539 -0.010 26 HG SER 6 HG SER 6 3.216 23.903 -1.121 27 H GLY 7 H GLY 7 3.828 18.976 -1.962 28 HA2 GLY 7 1HA GLY 7 1.833 17.591 -3.316 29 HA3 GLY 7 2HA GLY 7 2.942 16.868 -2.161 30 HA PRO 8 HA PRO 8 -1.425 16.548 -0.550 31 HB2 PRO 8 1HB PRO 8 -1.339 13.871 -0.102 32 HB3 PRO 8 2HB PRO 8 -1.820 14.571 -1.653 33 HG2 PRO 8 1HG PRO 8 0.822 13.430 -0.826 34 HG3 PRO 8 2HG PRO 8 -0.064 13.213 -2.347 35 HD2 PRO 8 1HD PRO 8 2.010 14.937 -2.102 36 HD3 PRO 8 2HD PRO 8 0.642 15.238 -3.193 37 H THR 9 H THR 9 -2.015 16.347 1.600 38 HA THR 9 HA THR 9 0.210 15.923 3.484 39 HB THR 9 HB THR 9 -1.054 17.337 5.074 40 HG1 THR 9 1HG THR 9 -3.144 17.260 4.459 41 HG21 THR 9 3HG2 THR 9 0.232 18.959 4.252 42 HG22 THR 9 1HG2 THR 9 -1.026 19.329 3.074 43 HG23 THR 9 2HG2 THR 9 0.250 18.182 2.670 44 H SER 10 H SER 10 -1.836 14.002 2.288 45 HA SER 10 HA SER 10 -2.403 12.627 4.777 46 HB2 SER 10 1HB SER 10 -4.395 14.114 4.326 47 HB3 SER 10 2HB SER 10 -4.672 13.181 2.855 48 HG SER 10 HG SER 10 -5.742 12.571 4.999 49 H ALA 11 H ALA 11 -2.498 10.429 4.551 50 HA ALA 11 HA ALA 11 -1.588 9.367 2.021 51 HB1 ALA 11 3HB ALA 11 -2.149 7.302 3.903 52 HB2 ALA 11 1HB ALA 11 -0.586 7.881 3.325 53 HB3 ALA 11 2HB ALA 11 -1.338 8.628 4.736 54 HA PRO 12 HA PRO 12 -5.302 7.612 0.476 55 HB2 PRO 12 1HB PRO 12 -4.631 5.058 -0.151 56 HB3 PRO 12 2HB PRO 12 -4.056 6.455 -1.068 57 HG2 PRO 12 1HG PRO 12 -2.655 4.874 1.053 58 HG3 PRO 12 2HG PRO 12 -2.023 5.487 -0.486 59 HD2 PRO 12 1HD PRO 12 -1.554 6.724 1.877 60 HD3 PRO 12 2HD PRO 12 -1.703 7.612 0.347 61 H LYS 13 H LYS 13 -6.894 5.777 0.688 62 HA LYS 13 HA LYS 13 -6.836 4.577 3.372 63 HB2 LYS 13 1HB LYS 13 -9.376 4.985 3.369 64 HB3 LYS 13 2HB LYS 13 -8.324 6.354 3.707 65 HG2 LYS 13 1HG LYS 13 -8.546 7.057 1.348 66 HG3 LYS 13 2HG LYS 13 -9.688 5.735 1.095 67 HD2 LYS 13 1HD LYS 13 -11.102 7.513 1.517 68 HD3 LYS 13 2HD LYS 13 -10.940 6.792 3.120 69 HE2 LYS 13 1HE LYS 13 -9.080 8.965 2.242 70 HE3 LYS 13 2HE LYS 13 -10.692 9.362 2.835 71 HZ1 LYS 13 3HZ LYS 13 -8.388 8.323 4.279 72 HZ2 LYS 13 1HZ LYS 13 -9.899 7.725 4.748 73 HZ3 LYS 13 2HZ LYS 13 -9.597 9.388 4.793 74 H ASP 14 H ASP 14 -8.993 3.070 3.432 75 HA ASP 14 HA ASP 14 -9.738 1.005 2.812 76 HB2 ASP 14 1HB ASP 14 -11.027 2.447 1.268 77 HB3 ASP 14 2HB ASP 14 -9.748 2.279 0.068 78 H LEU 15 H LEU 15 -6.903 1.270 2.949 79 HA LEU 15 HA LEU 15 -5.744 -0.072 0.685 80 HB2 LEU 15 1HB LEU 15 -4.421 1.499 1.959 81 HB3 LEU 15 2HB LEU 15 -4.656 0.551 3.426 82 HG LEU 15 HG LEU 15 -3.388 -1.310 2.287 83 HD11 LEU 15 1HD1 LEU 15 -1.817 0.118 0.514 84 HD12 LEU 15 2HD1 LEU 15 -3.462 0.627 0.134 85 HD13 LEU 15 3HD1 LEU 15 -3.039 -1.085 0.103 86 HD21 LEU 15 3HD2 LEU 15 -1.514 -0.584 3.294 87 HD22 LEU 15 1HD2 LEU 15 -2.527 0.768 3.802 88 HD23 LEU 15 2HD2 LEU 15 -1.488 0.928 2.385 89 H THR 16 H THR 16 -6.212 -2.138 0.317 90 HA THR 16 HA THR 16 -6.100 -4.011 2.588 91 HB THR 16 HB THR 16 -7.960 -4.282 0.220 92 HG1 THR 16 1HG THR 16 -8.821 -3.794 2.861 93 HG21 THR 16 3HG2 THR 16 -9.004 -5.935 1.967 94 HG22 THR 16 1HG2 THR 16 -7.372 -5.939 2.635 95 HG23 THR 16 2HG2 THR 16 -7.643 -6.442 0.967 96 H VAL 17 H VAL 17 -5.371 -6.141 2.099 97 HA VAL 17 HA VAL 17 -4.010 -6.433 -0.493 98 HB VAL 17 HB VAL 17 -2.799 -7.169 2.176 99 HG11 VAL 17 1HG1 VAL 17 -2.292 -8.579 0.089 100 HG12 VAL 17 2HG1 VAL 17 -1.399 -7.166 -0.476 101 HG13 VAL 17 3HG1 VAL 17 -0.932 -7.963 1.026 102 HG21 VAL 17 3HG2 VAL 17 -1.740 -5.198 2.233 103 HG22 VAL 17 1HG2 VAL 17 -1.388 -5.238 0.505 104 HG23 VAL 17 2HG2 VAL 17 -2.954 -4.659 1.073 105 H ILE 18 H ILE 18 -4.544 -8.259 -1.482 106 HA ILE 18 HA ILE 18 -5.324 -10.581 0.149 107 HB ILE 18 HB ILE 18 -7.045 -11.158 -1.512 108 HG12 ILE 18 1HG1 ILE 18 -6.846 -8.391 -2.647 109 HG13 ILE 18 2HG1 ILE 18 -5.825 -9.672 -3.293 110 HG21 ILE 18 1HG2 ILE 18 -8.650 -9.327 -0.925 111 HG22 ILE 18 2HG2 ILE 18 -7.791 -10.027 0.446 112 HG23 ILE 18 3HG2 ILE 18 -7.297 -8.461 -0.197 113 HD11 ILE 18 3HD1 ILE 18 -8.797 -9.979 -3.074 114 HD12 ILE 18 1HD1 ILE 18 -8.031 -9.215 -4.466 115 HD13 ILE 18 2HD1 ILE 18 -7.660 -10.892 -4.066 116 H THR 19 H THR 19 -4.863 -12.617 -0.730 117 HA THR 19 HA THR 19 -2.621 -12.625 -2.561 118 HB THR 19 HB THR 19 -2.550 -14.057 -0.570 119 HG1 THR 19 1HG THR 19 -1.617 -14.675 -2.734 120 HG21 THR 19 3HG2 THR 19 -4.593 -15.871 -1.787 121 HG22 THR 19 1HG2 THR 19 -5.114 -14.518 -0.783 122 HG23 THR 19 2HG2 THR 19 -4.052 -15.756 -0.112 123 H ARG 20 H ARG 20 -2.801 -12.883 -4.681 124 HA ARG 20 HA ARG 20 -5.158 -13.161 -6.083 125 HB2 ARG 20 1HB ARG 20 -2.727 -12.574 -6.866 126 HB3 ARG 20 2HB ARG 20 -2.625 -14.295 -7.209 127 HG2 ARG 20 1HG ARG 20 -4.303 -14.189 -8.834 128 HG3 ARG 20 2HG ARG 20 -4.864 -12.612 -8.274 129 HD2 ARG 20 1HD ARG 20 -3.009 -11.506 -9.189 130 HD3 ARG 20 2HD ARG 20 -2.097 -13.004 -9.367 131 HE ARG 20 HE ARG 20 -4.004 -11.911 -11.209 132 HH11 ARG 20 1HH1 ARG 20 -2.500 -14.837 -10.070 133 HH12 ARG 20 2HH1 ARG 20 -2.766 -15.703 -11.547 134 HH21 ARG 20 1HH2 ARG 20 -4.360 -13.041 -13.158 135 HH22 ARG 20 2HH2 ARG 20 -3.824 -14.680 -13.303 136 H GLU 21 H GLU 21 -6.290 -14.844 -6.996 137 HA GLU 21 HA GLU 21 -6.089 -17.372 -5.656 138 HB2 GLU 21 1HB GLU 21 -8.117 -17.934 -6.706 139 HB3 GLU 21 2HB GLU 21 -8.232 -16.204 -6.415 140 HG2 GLU 21 1HG GLU 21 -7.301 -17.316 -9.039 141 HG3 GLU 21 2HG GLU 21 -9.008 -17.071 -8.673 142 H GLY 22 H GLY 22 -4.866 -16.043 -8.575 143 HA2 GLY 22 1HA GLY 22 -4.464 -18.633 -9.840 144 HA3 GLY 22 2HA GLY 22 -4.013 -17.068 -10.500 145 H LYS 23 H LYS 23 -2.726 -16.481 -7.790 146 HA LYS 23 HA LYS 23 -0.483 -18.309 -7.739 147 HB2 LYS 23 1HB LYS 23 -0.081 -15.407 -8.489 148 HB3 LYS 23 2HB LYS 23 1.200 -16.567 -8.161 149 HG2 LYS 23 1HG LYS 23 0.181 -17.936 -10.075 150 HG3 LYS 23 2HG LYS 23 -0.676 -16.451 -10.492 151 HD2 LYS 23 1HD LYS 23 1.469 -15.270 -10.658 152 HD3 LYS 23 2HD LYS 23 2.317 -16.765 -10.259 153 HE2 LYS 23 1HE LYS 23 1.123 -17.771 -12.282 154 HE3 LYS 23 2HE LYS 23 0.730 -16.110 -12.724 155 HZ1 LYS 23 3HZ LYS 23 3.412 -17.342 -12.489 156 HZ2 LYS 23 1HZ LYS 23 3.187 -15.667 -12.564 157 HZ3 LYS 23 2HZ LYS 23 2.702 -16.644 -13.856 158 HA PRO 24 HA PRO 24 -0.903 -17.083 -3.495 159 HB2 PRO 24 1HB PRO 24 1.189 -18.528 -2.545 160 HB3 PRO 24 2HB PRO 24 -0.361 -19.256 -2.982 161 HG2 PRO 24 1HG PRO 24 2.183 -19.131 -4.555 162 HG3 PRO 24 2HG PRO 24 1.064 -20.490 -4.343 163 HD2 PRO 24 1HD PRO 24 1.074 -18.943 -6.566 164 HD3 PRO 24 2HD PRO 24 -0.406 -19.690 -5.929 165 H ARG 25 H ARG 25 2.304 -17.108 -5.041 166 HA ARG 25 HA ARG 25 3.519 -15.341 -3.198 167 HB2 ARG 25 1HB ARG 25 4.196 -16.292 -5.959 168 HB3 ARG 25 2HB ARG 25 5.128 -14.992 -5.228 169 HG2 ARG 25 1HG ARG 25 5.807 -16.404 -3.422 170 HG3 ARG 25 2HG ARG 25 4.719 -17.687 -3.955 171 HD2 ARG 25 1HD ARG 25 6.691 -18.441 -4.836 172 HD3 ARG 25 2HD ARG 25 6.097 -17.474 -6.186 173 HE ARG 25 HE ARG 25 7.722 -15.935 -4.426 174 HH11 ARG 25 1HH1 ARG 25 7.841 -18.296 -6.982 175 HH12 ARG 25 2HH1 ARG 25 9.416 -17.820 -7.526 176 HH21 ARG 25 1HH2 ARG 25 9.796 -15.300 -5.132 177 HH22 ARG 25 2HH2 ARG 25 10.527 -16.116 -6.472 178 H ALA 26 H ALA 26 1.089 -14.771 -5.365 179 HA ALA 26 HA ALA 26 1.900 -11.988 -5.853 180 HB1 ALA 26 3HB ALA 26 0.810 -12.058 -7.812 181 HB2 ALA 26 1HB ALA 26 0.899 -13.808 -7.610 182 HB3 ALA 26 2HB ALA 26 -0.560 -12.937 -7.133 183 H VAL 27 H VAL 27 0.409 -10.281 -5.458 184 HA VAL 27 HA VAL 27 -1.975 -10.843 -3.904 185 HB VAL 27 HB VAL 27 -1.358 -9.484 -1.998 186 HG11 VAL 27 1HG1 VAL 27 0.698 -11.609 -2.595 187 HG12 VAL 27 2HG1 VAL 27 0.369 -10.931 -0.999 188 HG13 VAL 27 3HG1 VAL 27 -0.878 -11.851 -1.841 189 HG21 VAL 27 3HG2 VAL 27 0.911 -8.627 -1.703 190 HG22 VAL 27 1HG2 VAL 27 1.349 -9.222 -3.305 191 HG23 VAL 27 2HG2 VAL 27 0.154 -7.935 -3.138 192 H ILE 28 H ILE 28 -3.494 -9.261 -4.069 193 HA ILE 28 HA ILE 28 -2.811 -6.991 -5.799 194 HB ILE 28 HB ILE 28 -5.610 -7.790 -5.062 195 HG12 ILE 28 1HG1 ILE 28 -4.208 -9.738 -5.989 196 HG13 ILE 28 2HG1 ILE 28 -5.726 -9.371 -6.800 197 HG21 ILE 28 1HG2 ILE 28 -5.500 -5.694 -6.145 198 HG22 ILE 28 2HG2 ILE 28 -4.341 -6.286 -7.334 199 HG23 ILE 28 3HG2 ILE 28 -6.011 -6.850 -7.376 200 HD11 ILE 28 3HD1 ILE 28 -3.351 -9.730 -8.044 201 HD12 ILE 28 1HD1 ILE 28 -4.707 -8.821 -8.711 202 HD13 ILE 28 2HD1 ILE 28 -3.397 -7.974 -7.888 203 H VAL 29 H VAL 29 -2.196 -5.286 -4.615 204 HA VAL 29 HA VAL 29 -3.516 -4.698 -2.084 205 HB VAL 29 HB VAL 29 -1.229 -3.250 -3.427 206 HG11 VAL 29 1HG1 VAL 29 -1.841 -1.672 -1.939 207 HG12 VAL 29 2HG1 VAL 29 -2.755 -2.809 -0.948 208 HG13 VAL 29 3HG1 VAL 29 -1.000 -2.714 -0.792 209 HG21 VAL 29 3HG2 VAL 29 0.012 -5.000 -2.826 210 HG22 VAL 29 1HG2 VAL 29 -0.304 -4.552 -1.149 211 HG23 VAL 29 2HG2 VAL 29 -1.333 -5.736 -1.955 212 H SER 30 H SER 30 -5.398 -3.660 -2.244 213 HA SER 30 HA SER 30 -5.777 -1.660 -4.346 214 HB2 SER 30 1HB SER 30 -8.163 -1.738 -3.680 215 HB3 SER 30 2HB SER 30 -7.541 -3.331 -4.113 216 HG SER 30 HG SER 30 -8.154 -2.295 -1.566 217 H TRP 31 H TRP 31 -7.070 0.316 -3.679 218 HA TRP 31 HA TRP 31 -7.017 1.283 -1.039 219 HB2 TRP 31 1HB TRP 31 -5.197 2.883 -1.133 220 HB3 TRP 31 2HB TRP 31 -4.566 1.267 -1.433 221 HD1 TRP 31 HD TRP 31 -5.313 4.564 -3.261 222 HE1 TRP 31 1HE TRP 31 -3.937 4.617 -5.435 223 HE3 TRP 31 3HE TRP 31 -3.412 -0.180 -3.133 224 HZ2 TRP 31 2HZ TRP 31 -2.266 2.878 -6.902 225 HZ3 TRP 31 3HZ TRP 31 -1.933 -0.907 -4.960 226 HH2 TRP 31 HH TRP 31 -1.374 0.591 -6.805 227 H GLN 32 H GLN 32 -7.279 3.776 -1.038 228 HA GLN 32 HA GLN 32 -8.724 4.612 -3.461 229 HB2 GLN 32 1HB GLN 32 -9.691 4.391 -0.692 230 HB3 GLN 32 2HB GLN 32 -10.062 5.922 -1.473 231 HG2 GLN 32 1HG GLN 32 -11.662 3.816 -1.627 232 HG3 GLN 32 2HG GLN 32 -11.511 4.990 -2.933 233 HE21 GLN 32 1HE2 GLN 32 -10.092 1.963 -1.763 234 HE22 GLN 32 2HE2 GLN 32 -9.828 1.280 -3.327 235 HA PRO 33 HA PRO 33 -6.476 8.375 -3.287 236 HB2 PRO 33 1HB PRO 33 -8.313 10.160 -4.188 237 HB3 PRO 33 2HB PRO 33 -7.534 8.971 -5.238 238 HG2 PRO 33 1HG PRO 33 -10.237 8.881 -3.954 239 HG3 PRO 33 2HG PRO 33 -9.767 8.433 -5.604 240 HD2 PRO 33 1HD PRO 33 -10.152 6.598 -3.651 241 HD3 PRO 33 2HD PRO 33 -8.965 6.373 -4.952 242 HA PRO 34 HA PRO 34 -7.411 10.147 0.674 243 HB2 PRO 34 1HB PRO 34 -5.484 12.058 0.646 244 HB3 PRO 34 2HB PRO 34 -5.138 10.350 0.940 245 HG2 PRO 34 1HG PRO 34 -4.853 11.934 -1.584 246 HG3 PRO 34 2HG PRO 34 -3.748 10.737 -0.883 247 HD2 PRO 34 1HD PRO 34 -5.436 10.146 -2.917 248 HD3 PRO 34 2HD PRO 34 -4.967 8.954 -1.687 249 H LEU 35 H LEU 35 -8.352 12.013 1.541 250 HA LEU 35 HA LEU 35 -9.818 13.614 -0.327 251 HB2 LEU 35 1HB LEU 35 -9.679 13.364 2.635 252 HB3 LEU 35 2HB LEU 35 -10.389 14.824 1.950 253 HG LEU 35 HG LEU 35 -12.189 13.379 2.419 254 HD11 LEU 35 1HD1 LEU 35 -11.997 12.601 -0.406 255 HD12 LEU 35 2HD1 LEU 35 -11.752 14.317 -0.081 256 HD13 LEU 35 3HD1 LEU 35 -13.239 13.525 0.440 257 HD21 LEU 35 3HD2 LEU 35 -11.444 11.263 2.796 258 HD22 LEU 35 1HD2 LEU 35 -10.352 11.280 1.411 259 HD23 LEU 35 2HD2 LEU 35 -12.082 11.042 1.166 260 H GLU 36 H GLU 36 -7.031 14.091 1.758 261 HA GLU 36 HA GLU 36 -6.877 16.916 1.072 262 HB2 GLU 36 1HB GLU 36 -4.923 15.301 2.711 263 HB3 GLU 36 2HB GLU 36 -5.084 17.051 2.660 264 HG2 GLU 36 1HG GLU 36 -7.325 16.845 3.664 265 HG3 GLU 36 2HG GLU 36 -7.084 15.103 3.782 266 H ALA 37 H ALA 37 -6.674 15.386 -1.179 267 HA ALA 37 HA ALA 37 -3.959 14.793 -1.857 268 HB1 ALA 37 3HB ALA 37 -4.959 14.704 -4.219 269 HB2 ALA 37 1HB ALA 37 -5.528 13.531 -3.032 270 HB3 ALA 37 2HB ALA 37 -6.513 14.942 -3.420 271 H ASN 38 H ASN 38 -5.595 17.670 -1.489 272 HA ASN 38 HA ASN 38 -5.321 19.807 -2.267 273 HB2 ASN 38 1HB ASN 38 -2.512 18.739 -2.037 274 HB3 ASN 38 2HB ASN 38 -2.833 20.420 -2.454 275 HD21 ASN 38 1HD2 ASN 38 -2.175 18.379 0.021 276 HD22 ASN 38 2HD2 ASN 38 -2.804 19.303 1.338 277 H GLY 39 H GLY 39 -6.051 18.078 -4.339 278 HA2 GLY 39 1HA GLY 39 -6.007 19.360 -6.611 279 HA3 GLY 39 2HA GLY 39 -4.333 18.824 -6.597 280 H LYS 40 H LYS 40 -4.153 17.263 -8.065 281 HA LYS 40 HA LYS 40 -6.003 14.988 -7.880 282 HB2 LYS 40 1HB LYS 40 -6.771 16.184 -9.798 283 HB3 LYS 40 2HB LYS 40 -5.130 16.428 -10.383 284 HG2 LYS 40 1HG LYS 40 -5.082 13.817 -10.457 285 HG3 LYS 40 2HG LYS 40 -6.838 13.990 -10.487 286 HD2 LYS 40 1HD LYS 40 -6.801 15.168 -12.512 287 HD3 LYS 40 2HD LYS 40 -5.079 15.531 -12.370 288 HE2 LYS 40 1HE LYS 40 -6.135 12.730 -12.666 289 HE3 LYS 40 2HE LYS 40 -5.729 13.744 -14.050 290 HZ1 LYS 40 3HZ LYS 40 -3.686 13.549 -12.001 291 HZ2 LYS 40 1HZ LYS 40 -3.539 13.512 -13.686 292 HZ3 LYS 40 2HZ LYS 40 -3.997 12.117 -12.847 293 H ILE 41 H ILE 41 -4.806 13.328 -7.228 294 HA ILE 41 HA ILE 41 -2.072 13.085 -7.243 295 HB ILE 41 HB ILE 41 -3.991 10.774 -7.550 296 HG12 ILE 41 1HG1 ILE 41 -4.755 12.110 -5.710 297 HG13 ILE 41 2HG1 ILE 41 -3.901 10.726 -5.037 298 HG21 ILE 41 1HG2 ILE 41 -2.003 9.708 -7.694 299 HG22 ILE 41 2HG2 ILE 41 -1.120 11.020 -6.915 300 HG23 ILE 41 3HG2 ILE 41 -2.042 9.877 -5.939 301 HD11 ILE 41 3HD1 ILE 41 -3.045 12.392 -3.752 302 HD12 ILE 41 1HD1 ILE 41 -1.871 12.398 -5.067 303 HD13 ILE 41 2HD1 ILE 41 -3.165 13.597 -5.034 304 H THR 42 H THR 42 -0.548 12.080 -8.559 305 HA THR 42 HA THR 42 -1.415 11.538 -11.324 306 HB THR 42 HB THR 42 0.751 12.431 -12.111 307 HG1 THR 42 1HG THR 42 1.938 13.726 -10.538 308 HG21 THR 42 3HG2 THR 42 -0.050 14.543 -12.271 309 HG22 THR 42 1HG2 THR 42 -0.294 14.697 -10.531 310 HG23 THR 42 2HG2 THR 42 -1.475 13.831 -11.514 311 H ALA 43 H ALA 43 0.348 10.511 -8.576 312 HA ALA 43 HA ALA 43 0.920 7.974 -9.829 313 HB1 ALA 43 3HB ALA 43 2.874 9.539 -10.350 314 HB2 ALA 43 1HB ALA 43 3.266 9.415 -8.635 315 HB3 ALA 43 2HB ALA 43 3.252 7.968 -9.644 316 H TYR 44 H TYR 44 1.185 6.311 -8.357 317 HA TYR 44 HA TYR 44 0.922 7.062 -5.519 318 HB2 TYR 44 1HB TYR 44 -0.439 4.859 -7.064 319 HB3 TYR 44 2HB TYR 44 -0.353 4.862 -5.306 320 HD1 TYR 44 2HD TYR 44 -1.306 6.924 -4.091 321 HD2 TYR 44 1HD TYR 44 -2.154 6.002 -8.158 322 HE1 TYR 44 2HE TYR 44 -3.307 8.350 -3.992 323 HE2 TYR 44 1HE TYR 44 -4.157 7.426 -8.070 324 HH TYR 44 HH TYR 44 -5.658 8.330 -5.466 325 H ILE 45 H ILE 45 2.666 6.516 -4.407 326 HA ILE 45 HA ILE 45 4.337 4.300 -5.343 327 HB ILE 45 HB ILE 45 5.004 6.261 -3.154 328 HG12 ILE 45 1HG1 ILE 45 6.430 7.312 -5.035 329 HG13 ILE 45 2HG1 ILE 45 5.348 6.468 -6.137 330 HG21 ILE 45 1HG2 ILE 45 7.290 5.592 -3.574 331 HG22 ILE 45 2HG2 ILE 45 6.303 4.170 -3.239 332 HG23 ILE 45 3HG2 ILE 45 6.769 4.548 -4.897 333 HD11 ILE 45 3HD1 ILE 45 4.093 8.110 -4.027 334 HD12 ILE 45 1HD1 ILE 45 4.929 8.962 -5.325 335 HD13 ILE 45 2HD1 ILE 45 3.614 7.849 -5.704 336 H LEU 46 H LEU 46 4.252 2.388 -4.380 337 HA LEU 46 HA LEU 46 3.023 2.207 -1.715 338 HB2 LEU 46 1HB LEU 46 1.803 0.912 -3.259 339 HB3 LEU 46 2HB LEU 46 3.269 0.253 -3.982 340 HG LEU 46 HG LEU 46 3.571 -0.776 -1.563 341 HD11 LEU 46 1HD1 LEU 46 1.827 -0.225 -0.262 342 HD12 LEU 46 2HD1 LEU 46 1.003 -1.517 -1.133 343 HD13 LEU 46 3HD1 LEU 46 0.789 0.159 -1.635 344 HD21 LEU 46 3HD2 LEU 46 3.472 -2.089 -3.575 345 HD22 LEU 46 1HD2 LEU 46 1.732 -1.832 -3.706 346 HD23 LEU 46 2HD2 LEU 46 2.383 -2.795 -2.379 347 H PHE 47 H PHE 47 4.011 1.075 -0.062 348 HA PHE 47 HA PHE 47 6.751 0.129 -0.559 349 HB2 PHE 47 1HB PHE 47 5.899 1.730 1.861 350 HB3 PHE 47 2HB PHE 47 7.523 1.158 1.495 351 HD1 PHE 47 1HD PHE 47 4.827 3.321 0.117 352 HD2 PHE 47 2HD PHE 47 9.003 2.552 0.403 353 HE1 PHE 47 1HE PHE 47 5.292 5.423 -1.074 354 HE2 PHE 47 2HE PHE 47 9.475 4.653 -0.787 355 HZ PHE 47 HZ PHE 47 7.619 6.092 -1.527 356 H TYR 48 H TYR 48 7.029 -1.896 0.079 357 HA TYR 48 HA TYR 48 5.493 -2.896 2.373 358 HB2 TYR 48 1HB TYR 48 5.026 -4.988 1.216 359 HB3 TYR 48 2HB TYR 48 4.367 -3.635 0.303 360 HD1 TYR 48 2HD TYR 48 5.362 -2.970 -1.828 361 HD2 TYR 48 1HD TYR 48 6.857 -6.307 0.347 362 HE1 TYR 48 2HE TYR 48 6.573 -3.726 -3.831 363 HE2 TYR 48 1HE TYR 48 8.073 -7.071 -1.649 364 HH TYR 48 HH TYR 48 8.131 -6.828 -3.975 365 H THR 49 H THR 49 6.509 -4.467 3.611 366 HA THR 49 HA THR 49 8.948 -5.722 2.864 367 HB THR 49 HB THR 49 9.624 -3.282 3.359 368 HG1 THR 49 1HG THR 49 11.431 -4.267 4.781 369 HG21 THR 49 3HG2 THR 49 9.181 -4.296 6.170 370 HG22 THR 49 1HG2 THR 49 8.316 -2.973 5.388 371 HG23 THR 49 2HG2 THR 49 10.036 -2.813 5.745 372 H LEU 50 H LEU 50 9.746 -7.159 4.485 373 HA LEU 50 HA LEU 50 7.679 -7.933 6.389 374 HB2 LEU 50 1HB LEU 50 9.046 -9.981 6.656 375 HB3 LEU 50 2HB LEU 50 8.509 -9.691 5.003 376 HG LEU 50 HG LEU 50 10.924 -8.578 4.838 377 HD11 LEU 50 1HD1 LEU 50 11.482 -10.844 6.714 378 HD12 LEU 50 2HD1 LEU 50 11.250 -9.201 7.313 379 HD13 LEU 50 3HD1 LEU 50 12.554 -9.550 6.178 380 HD21 LEU 50 3HD2 LEU 50 11.669 -11.070 4.299 381 HD22 LEU 50 1HD2 LEU 50 10.551 -10.178 3.267 382 HD23 LEU 50 2HD2 LEU 50 9.932 -11.344 4.437 383 H ASP 51 H ASP 51 10.440 -6.070 6.381 384 HA ASP 51 HA ASP 51 10.786 -6.448 9.283 385 HB2 ASP 51 1HB ASP 51 12.813 -6.253 7.114 386 HB3 ASP 51 2HB ASP 51 13.181 -5.445 8.635 387 H LYS 52 H LYS 52 10.119 -4.732 10.370 388 HA LYS 52 HA LYS 52 9.839 -2.167 9.040 389 HB2 LYS 52 1HB LYS 52 8.611 -1.477 10.999 390 HB3 LYS 52 2HB LYS 52 8.045 -3.068 10.506 391 HG2 LYS 52 1HG LYS 52 9.548 -4.050 12.245 392 HG3 LYS 52 2HG LYS 52 9.871 -2.407 12.804 393 HD2 LYS 52 1HD LYS 52 7.680 -2.095 13.534 394 HD3 LYS 52 2HD LYS 52 7.059 -3.409 12.532 395 HE2 LYS 52 1HE LYS 52 8.404 -4.983 13.970 396 HE3 LYS 52 2HE LYS 52 8.706 -3.619 15.045 397 HZ1 LYS 52 3HZ LYS 52 6.235 -5.106 14.579 398 HZ2 LYS 52 1HZ LYS 52 6.095 -3.451 14.898 399 HZ3 LYS 52 2HZ LYS 52 6.857 -4.466 16.016 400 H ASN 53 H ASN 53 11.925 -3.719 11.339 401 HA ASN 53 HA ASN 53 13.033 -1.664 12.756 402 HB2 ASN 53 1HB ASN 53 14.754 -3.793 11.497 403 HB3 ASN 53 2HB ASN 53 14.956 -3.011 13.062 404 HD21 ASN 53 1HD2 ASN 53 13.536 -5.583 11.340 405 HD22 ASN 53 2HD2 ASN 53 12.701 -6.316 12.663 406 H ILE 54 H ILE 54 13.252 -2.227 9.363 407 HA ILE 54 HA ILE 54 15.509 -0.427 9.011 408 HB ILE 54 HB ILE 54 15.027 -0.836 6.542 409 HG12 ILE 54 1HG1 ILE 54 13.308 -3.058 7.659 410 HG13 ILE 54 2HG1 ILE 54 12.663 -1.583 6.945 411 HG21 ILE 54 1HG2 ILE 54 15.637 -3.286 8.185 412 HG22 ILE 54 2HG2 ILE 54 16.183 -2.929 6.547 413 HG23 ILE 54 3HG2 ILE 54 16.781 -1.974 7.903 414 HD11 ILE 54 3HD1 ILE 54 13.629 -3.985 5.674 415 HD12 ILE 54 1HD1 ILE 54 12.668 -2.663 5.012 416 HD13 ILE 54 2HD1 ILE 54 14.428 -2.545 5.043 417 HA PRO 55 HA PRO 55 13.220 3.242 8.252 418 HB2 PRO 55 1HB PRO 55 14.740 4.433 6.345 419 HB3 PRO 55 2HB PRO 55 15.239 4.317 8.036 420 HG2 PRO 55 1HG PRO 55 16.041 2.621 5.704 421 HG3 PRO 55 2HG PRO 55 17.047 3.278 7.008 422 HD2 PRO 55 1HD PRO 55 16.185 0.711 6.985 423 HD3 PRO 55 2HD PRO 55 16.429 1.623 8.489 424 H ILE 56 H ILE 56 11.501 3.833 7.061 425 HA ILE 56 HA ILE 56 10.254 2.363 5.199 426 HB ILE 56 HB ILE 56 9.330 4.444 6.173 427 HG12 ILE 56 1HG1 ILE 56 8.110 5.178 4.101 428 HG13 ILE 56 2HG1 ILE 56 9.205 4.167 3.165 429 HG21 ILE 56 1HG2 ILE 56 11.502 5.720 5.485 430 HG22 ILE 56 2HG2 ILE 56 10.615 6.020 3.991 431 HG23 ILE 56 3HG2 ILE 56 9.954 6.564 5.533 432 HD11 ILE 56 3HD1 ILE 56 6.858 3.446 4.708 433 HD12 ILE 56 1HD1 ILE 56 7.686 2.568 3.422 434 HD13 ILE 56 2HD1 ILE 56 8.261 2.447 5.086 435 H ASP 57 H ASP 57 13.039 4.368 4.631 436 HA ASP 57 HA ASP 57 12.874 4.471 1.802 437 HB2 ASP 57 1HB ASP 57 14.270 6.040 3.032 438 HB3 ASP 57 2HB ASP 57 15.263 4.719 3.641 439 H ASP 58 H ASP 58 14.617 2.329 4.033 440 HA ASP 58 HA ASP 58 15.900 0.770 2.082 441 HB2 ASP 58 1HB ASP 58 15.241 0.434 4.968 442 HB3 ASP 58 2HB ASP 58 15.712 -1.002 4.064 443 H TRP 59 H TRP 59 12.641 0.794 3.230 444 HA TRP 59 HA TRP 59 11.813 -1.798 2.661 445 HB2 TRP 59 1HB TRP 59 10.280 0.797 2.388 446 HB3 TRP 59 2HB TRP 59 9.547 -0.805 2.356 447 HD1 TRP 59 HD TRP 59 12.338 -0.157 4.857 448 HE1 TRP 59 1HE TRP 59 11.345 -0.140 7.231 449 HE3 TRP 59 3HE TRP 59 7.368 -0.256 3.661 450 HZ2 TRP 59 2HZ TRP 59 8.794 -0.165 8.438 451 HZ3 TRP 59 3HZ TRP 59 5.716 -0.258 5.484 452 HH2 TRP 59 HH TRP 59 6.416 -0.214 7.823 453 H ILE 60 H ILE 60 10.073 -2.157 0.817 454 HA ILE 60 HA ILE 60 11.512 -1.691 -1.688 455 HB ILE 60 HB ILE 60 9.265 -3.598 -1.031 456 HG12 ILE 60 1HG1 ILE 60 11.279 -5.182 -1.761 457 HG13 ILE 60 2HG1 ILE 60 12.234 -3.815 -1.198 458 HG21 ILE 60 1HG2 ILE 60 10.352 -4.422 -3.409 459 HG22 ILE 60 2HG2 ILE 60 8.839 -3.536 -3.224 460 HG23 ILE 60 3HG2 ILE 60 10.332 -2.667 -3.580 461 HD11 ILE 60 3HD1 ILE 60 10.130 -5.193 0.449 462 HD12 ILE 60 1HD1 ILE 60 11.851 -5.573 0.507 463 HD13 ILE 60 2HD1 ILE 60 11.285 -3.973 0.987 464 H MET 61 H MET 61 10.935 0.264 -2.481 465 HA MET 61 HA MET 61 8.210 1.197 -2.385 466 HB2 MET 61 1HB MET 61 10.096 2.763 -2.184 467 HB3 MET 61 2HB MET 61 10.620 2.341 -3.809 468 HG2 MET 61 1HG MET 61 8.044 3.073 -4.253 469 HG3 MET 61 2HG MET 61 8.487 4.135 -2.918 470 HE1 MET 61 3HE MET 61 9.310 2.926 -6.501 471 HE2 MET 61 1HE MET 61 10.631 3.984 -6.998 472 HE3 MET 61 2HE MET 61 10.907 2.745 -5.774 473 H GLU 62 H GLU 62 6.844 1.558 -4.158 474 HA GLU 62 HA GLU 62 7.619 0.401 -6.726 475 HB2 GLU 62 1HB GLU 62 5.502 -0.641 -4.911 476 HB3 GLU 62 2HB GLU 62 5.156 -0.617 -6.635 477 HG2 GLU 62 1HG GLU 62 7.291 -2.122 -5.174 478 HG3 GLU 62 2HG GLU 62 6.021 -2.743 -6.226 479 H THR 63 H THR 63 7.066 1.735 -8.308 480 HA THR 63 HA THR 63 5.330 3.979 -7.786 481 HB THR 63 HB THR 63 6.677 3.197 -10.378 482 HG1 THR 63 1HG THR 63 8.145 4.955 -9.615 483 HG21 THR 63 3HG2 THR 63 4.770 5.201 -9.770 484 HG22 THR 63 1HG2 THR 63 5.652 4.957 -11.277 485 HG23 THR 63 2HG2 THR 63 6.318 6.005 -10.025 486 H ILE 64 H ILE 64 3.292 4.296 -8.500 487 HA ILE 64 HA ILE 64 2.129 2.299 -10.318 488 HB ILE 64 HB ILE 64 0.629 3.386 -7.942 489 HG12 ILE 64 1HG1 ILE 64 1.620 0.571 -8.009 490 HG13 ILE 64 2HG1 ILE 64 2.751 1.839 -7.549 491 HG21 ILE 64 1HG2 ILE 64 -0.982 1.709 -8.435 492 HG22 ILE 64 2HG2 ILE 64 -0.612 2.529 -9.951 493 HG23 ILE 64 3HG2 ILE 64 0.082 0.943 -9.614 494 HD11 ILE 64 3HD1 ILE 64 1.769 2.168 -5.559 495 HD12 ILE 64 1HD1 ILE 64 0.144 1.917 -6.197 496 HD13 ILE 64 2HD1 ILE 64 1.168 0.531 -5.820 497 H SER 65 H SER 65 0.522 3.039 -11.691 498 HA SER 65 HA SER 65 0.660 5.717 -12.501 499 HB2 SER 65 1HB SER 65 -0.010 4.123 -14.127 500 HB3 SER 65 2HB SER 65 -1.315 3.517 -13.107 501 HG SER 65 HG SER 65 -2.148 4.879 -14.702 502 H GLY 66 H GLY 66 -0.506 7.505 -12.036 503 HA2 GLY 66 1HA GLY 66 -1.907 7.686 -9.612 504 HA3 GLY 66 2HA GLY 66 -1.911 8.903 -10.880 505 H ASP 67 H ASP 67 -2.971 6.657 -12.705 506 HA ASP 67 HA ASP 67 -5.750 7.296 -12.286 507 HB2 ASP 67 1HB ASP 67 -4.280 5.690 -14.373 508 HB3 ASP 67 2HB ASP 67 -6.038 5.798 -14.337 509 H ARG 68 H ARG 68 -3.659 4.506 -11.889 510 HA ARG 68 HA ARG 68 -5.869 2.748 -11.250 511 HB2 ARG 68 1HB ARG 68 -2.900 2.244 -10.989 512 HB3 ARG 68 2HB ARG 68 -4.177 1.035 -10.949 513 HG2 ARG 68 1HG ARG 68 -4.717 1.490 -13.269 514 HG3 ARG 68 2HG ARG 68 -3.496 2.763 -13.319 515 HD2 ARG 68 1HD ARG 68 -1.897 0.847 -12.538 516 HD3 ARG 68 2HD ARG 68 -3.151 -0.200 -13.200 517 HE ARG 68 HE ARG 68 -1.347 1.512 -14.676 518 HH11 ARG 68 1HH1 ARG 68 -4.295 -0.340 -14.719 519 HH12 ARG 68 2HH1 ARG 68 -4.320 -0.505 -16.443 520 HH21 ARG 68 1HH2 ARG 68 -1.369 1.302 -16.947 521 HH22 ARG 68 2HH2 ARG 68 -2.654 0.429 -17.710 522 H LEU 69 H LEU 69 -6.188 1.744 -9.220 523 HA LEU 69 HA LEU 69 -5.013 3.207 -6.948 524 HB2 LEU 69 1HB LEU 69 -7.822 2.283 -7.433 525 HB3 LEU 69 2HB LEU 69 -7.225 2.557 -5.798 526 HG LEU 69 HG LEU 69 -7.387 4.627 -7.989 527 HD11 LEU 69 1HD1 LEU 69 -9.565 3.867 -7.031 528 HD12 LEU 69 2HD1 LEU 69 -9.203 5.573 -6.768 529 HD13 LEU 69 3HD1 LEU 69 -8.998 4.416 -5.453 530 HD21 LEU 69 3HD2 LEU 69 -6.237 4.630 -5.239 531 HD22 LEU 69 1HD2 LEU 69 -7.009 6.094 -5.848 532 HD23 LEU 69 2HD2 LEU 69 -5.641 5.394 -6.713 533 H THR 70 H THR 70 -4.514 0.522 -8.403 534 HA THR 70 HA THR 70 -4.253 -1.039 -5.932 535 HB THR 70 HB THR 70 -5.078 -3.033 -6.860 536 HG1 THR 70 1HG THR 70 -4.290 -3.141 -8.891 537 HG21 THR 70 3HG2 THR 70 -7.333 -2.380 -7.838 538 HG22 THR 70 1HG2 THR 70 -6.796 -0.707 -7.699 539 HG23 THR 70 2HG2 THR 70 -6.941 -1.709 -6.255 540 H HIS 71 H HIS 71 -2.620 -2.723 -6.051 541 HA HIS 71 HA HIS 71 -0.738 -2.546 -8.272 542 HB2 HIS 71 1HB HIS 71 0.149 -0.865 -6.816 543 HB3 HIS 71 2HB HIS 71 -0.037 -1.904 -5.405 544 HD1 HIS 71 1HD HIS 71 2.068 -1.555 -8.521 545 HD2 HIS 71 2HD HIS 71 2.099 -3.545 -4.874 546 HE1 HIS 71 1HE HIS 71 4.347 -2.604 -8.348 547 HE2 HIS 71 2HE HIS 71 4.312 -3.873 -6.172 548 H GLN 72 H GLN 72 -0.024 -4.503 -8.809 549 HA GLN 72 HA GLN 72 -0.459 -6.704 -6.920 550 HB2 GLN 72 1HB GLN 72 -1.524 -6.861 -9.153 551 HB3 GLN 72 2HB GLN 72 0.070 -6.813 -9.895 552 HG2 GLN 72 1HG GLN 72 0.523 -8.871 -8.350 553 HG3 GLN 72 2HG GLN 72 -1.236 -8.992 -8.345 554 HE21 GLN 72 1HE2 GLN 72 -2.276 -8.994 -10.504 555 HE22 GLN 72 2HE2 GLN 72 -1.477 -9.837 -11.783 556 H ILE 73 H ILE 73 1.202 -7.661 -5.953 557 HA ILE 73 HA ILE 73 3.910 -7.091 -6.948 558 HB ILE 73 HB ILE 73 3.143 -8.077 -4.201 559 HG12 ILE 73 1HG1 ILE 73 4.001 -5.269 -4.849 560 HG13 ILE 73 2HG1 ILE 73 2.306 -5.735 -4.934 561 HG21 ILE 73 1HG2 ILE 73 5.480 -7.022 -3.762 562 HG22 ILE 73 2HG2 ILE 73 5.366 -8.632 -4.471 563 HG23 ILE 73 3HG2 ILE 73 5.699 -7.239 -5.499 564 HD11 ILE 73 3HD1 ILE 73 3.267 -6.665 -2.465 565 HD12 ILE 73 1HD1 ILE 73 3.869 -5.018 -2.660 566 HD13 ILE 73 2HD1 ILE 73 2.138 -5.344 -2.768 567 H MET 74 H MET 74 5.442 -8.744 -7.124 568 HA MET 74 HA MET 74 4.412 -11.491 -6.927 569 HB2 MET 74 1HB MET 74 5.985 -10.321 -9.227 570 HB3 MET 74 2HB MET 74 5.640 -12.034 -9.025 571 HG2 MET 74 1HG MET 74 3.165 -11.252 -8.941 572 HG3 MET 74 2HG MET 74 3.792 -9.800 -9.718 573 HE1 MET 74 3HE MET 74 5.189 -9.725 -11.580 574 HE2 MET 74 1HE MET 74 5.969 -11.160 -12.246 575 HE3 MET 74 2HE MET 74 4.582 -10.449 -13.070 576 H ASP 75 H ASP 75 6.087 -13.133 -6.762 577 HA ASP 75 HA ASP 75 8.020 -14.012 -5.939 578 HB2 ASP 75 1HB ASP 75 9.335 -11.320 -6.245 579 HB3 ASP 75 2HB ASP 75 10.078 -12.915 -6.314 580 H LEU 76 H LEU 76 6.200 -13.338 -4.100 581 HA LEU 76 HA LEU 76 7.646 -11.890 -1.991 582 HB2 LEU 76 1HB LEU 76 4.759 -12.424 -2.526 583 HB3 LEU 76 2HB LEU 76 5.292 -12.130 -0.872 584 HG LEU 76 HG LEU 76 5.556 -10.234 -3.204 585 HD11 LEU 76 1HD1 LEU 76 4.133 -9.022 -1.181 586 HD12 LEU 76 2HD1 LEU 76 3.519 -10.674 -1.182 587 HD13 LEU 76 3HD1 LEU 76 3.461 -9.712 -2.658 588 HD21 LEU 76 3HD2 LEU 76 6.259 -8.648 -1.343 589 HD22 LEU 76 1HD2 LEU 76 7.445 -9.846 -1.861 590 HD23 LEU 76 2HD2 LEU 76 6.539 -10.091 -0.368 591 H ASN 77 H ASN 77 8.205 -12.859 -0.106 592 HA ASN 77 HA ASN 77 8.711 -15.547 0.050 593 HB2 ASN 77 1HB ASN 77 8.426 -13.385 2.079 594 HB3 ASN 77 2HB ASN 77 8.484 -15.046 2.661 595 HD21 ASN 77 1HD2 ASN 77 10.442 -13.592 3.534 596 HD22 ASN 77 2HD2 ASN 77 11.923 -13.888 2.696 597 H LEU 78 H LEU 78 7.781 -17.190 1.524 598 HA LEU 78 HA LEU 78 4.839 -17.060 1.489 599 HB2 LEU 78 1HB LEU 78 6.532 -19.548 1.488 600 HB3 LEU 78 2HB LEU 78 4.793 -19.434 1.227 601 HG LEU 78 HG LEU 78 6.849 -18.285 -0.655 602 HD11 LEU 78 1HD1 LEU 78 7.271 -20.550 -0.842 603 HD12 LEU 78 2HD1 LEU 78 6.030 -20.294 -2.068 604 HD13 LEU 78 3HD1 LEU 78 5.597 -20.996 -0.510 605 HD21 LEU 78 3HD2 LEU 78 4.114 -19.024 -1.497 606 HD22 LEU 78 1HD2 LEU 78 5.132 -17.673 -1.996 607 HD23 LEU 78 2HD2 LEU 78 4.268 -17.604 -0.460 608 H ASP 79 H ASP 79 3.771 -17.242 3.356 609 HA ASP 79 HA ASP 79 3.311 -17.575 5.561 610 HB2 ASP 79 1HB ASP 79 4.483 -19.843 4.931 611 HB3 ASP 79 2HB ASP 79 5.790 -19.212 5.929 612 H THR 80 H THR 80 4.593 -15.258 4.906 613 HA THR 80 HA THR 80 6.125 -14.741 7.345 614 HB THR 80 HB THR 80 7.048 -13.814 4.618 615 HG1 THR 80 1HG THR 80 7.432 -16.094 5.219 616 HG21 THR 80 3HG2 THR 80 7.417 -12.531 6.980 617 HG22 THR 80 1HG2 THR 80 8.551 -12.470 5.632 618 HG23 THR 80 2HG2 THR 80 8.819 -13.601 6.959 619 H MET 81 H MET 81 5.553 -12.891 8.320 620 HA MET 81 HA MET 81 3.345 -11.399 7.401 621 HB2 MET 81 1HB MET 81 3.948 -11.657 9.787 622 HB3 MET 81 2HB MET 81 5.364 -10.649 9.523 623 HG2 MET 81 1HG MET 81 3.440 -9.472 10.559 624 HG3 MET 81 2HG MET 81 4.021 -8.743 9.063 625 HE1 MET 81 3HE MET 81 1.097 -11.928 9.151 626 HE2 MET 81 1HE MET 81 1.811 -11.242 10.610 627 HE3 MET 81 2HE MET 81 0.187 -10.765 10.115 628 H TYR 82 H TYR 82 3.231 -9.765 6.012 629 HA TYR 82 HA TYR 82 5.691 -8.250 5.426 630 HB2 TYR 82 1HB TYR 82 3.704 -9.513 3.615 631 HB3 TYR 82 2HB TYR 82 4.326 -7.938 3.135 632 HD1 TYR 82 1HD TYR 82 7.061 -7.857 3.658 633 HD2 TYR 82 2HD TYR 82 4.757 -11.258 2.552 634 HE1 TYR 82 1HE TYR 82 9.084 -8.926 2.756 635 HE2 TYR 82 2HE TYR 82 6.773 -12.338 1.648 636 HH TYR 82 HH TYR 82 9.664 -11.722 2.355 637 H TYR 83 H TYR 83 5.533 -6.219 6.075 638 HA TYR 83 HA TYR 83 3.002 -5.018 6.697 639 HB2 TYR 83 1HB TYR 83 5.694 -3.654 6.608 640 HB3 TYR 83 2HB TYR 83 4.269 -3.156 7.513 641 HD1 TYR 83 1HD TYR 83 3.514 -5.891 8.594 642 HD2 TYR 83 2HD TYR 83 7.243 -3.852 8.386 643 HE1 TYR 83 1HE TYR 83 4.309 -7.158 10.546 644 HE2 TYR 83 2HE TYR 83 8.049 -5.115 10.337 645 HH TYR 83 HH TYR 83 6.118 -6.725 12.409 646 H PHE 84 H PHE 84 1.948 -3.377 5.650 647 HA PHE 84 HA PHE 84 2.962 -2.688 2.970 648 HB2 PHE 84 1HB PHE 84 0.153 -3.198 3.933 649 HB3 PHE 84 2HB PHE 84 0.478 -2.320 2.442 650 HD1 PHE 84 1HD PHE 84 1.664 -3.462 0.579 651 HD2 PHE 84 2HD PHE 84 0.319 -5.549 4.036 652 HE1 PHE 84 1HE PHE 84 1.860 -5.592 -0.635 653 HE2 PHE 84 2HE PHE 84 0.513 -7.683 2.828 654 HZ PHE 84 HZ PHE 84 1.285 -7.707 0.489 655 H ARG 85 H ARG 85 3.041 -0.581 2.387 656 HA ARG 85 HA ARG 85 1.665 1.441 3.947 657 HB2 ARG 85 1HB ARG 85 4.622 1.028 4.018 658 HB3 ARG 85 2HB ARG 85 4.002 2.674 4.044 659 HG2 ARG 85 1HG ARG 85 2.589 2.008 6.006 660 HG3 ARG 85 2HG ARG 85 3.477 0.483 6.033 661 HD2 ARG 85 1HD ARG 85 5.421 1.468 6.734 662 HD3 ARG 85 2HD ARG 85 5.028 3.019 5.993 663 HE ARG 85 HE ARG 85 3.201 2.841 7.955 664 HH11 ARG 85 1HH1 ARG 85 6.653 2.396 7.920 665 HH12 ARG 85 2HH1 ARG 85 6.869 2.922 9.556 666 HH21 ARG 85 1HH2 ARG 85 3.472 3.536 10.111 667 HH22 ARG 85 2HH2 ARG 85 5.058 3.569 10.802 668 H ILE 86 H ILE 86 0.659 2.452 2.327 669 HA ILE 86 HA ILE 86 2.223 3.153 -0.069 670 HB ILE 86 HB ILE 86 0.254 1.707 -0.488 671 HG12 ILE 86 1HG1 ILE 86 -0.198 4.468 -1.621 672 HG13 ILE 86 2HG1 ILE 86 1.142 3.443 -2.123 673 HG21 ILE 86 1HG2 ILE 86 -1.903 3.423 -0.337 674 HG22 ILE 86 2HG2 ILE 86 -1.558 2.083 0.755 675 HG23 ILE 86 3HG2 ILE 86 -1.032 3.715 1.168 676 HD11 ILE 86 3HD1 ILE 86 -1.791 3.046 -2.547 677 HD12 ILE 86 1HD1 ILE 86 -0.487 3.081 -3.734 678 HD13 ILE 86 2HD1 ILE 86 -0.658 1.699 -2.652 679 H GLN 87 H GLN 87 1.493 5.207 -1.146 680 HA GLN 87 HA GLN 87 0.386 7.213 0.644 681 HB2 GLN 87 1HB GLN 87 2.269 8.738 0.394 682 HB3 GLN 87 2HB GLN 87 2.794 7.238 1.146 683 HG2 GLN 87 1HG GLN 87 3.566 6.485 -1.115 684 HG3 GLN 87 2HG GLN 87 3.235 8.118 -1.692 685 HE21 GLN 87 1HE2 GLN 87 4.036 9.140 1.023 686 HE22 GLN 87 2HE2 GLN 87 5.763 9.146 0.986 687 H ALA 88 H ALA 88 0.715 9.476 -0.674 688 HA ALA 88 HA ALA 88 -0.147 8.938 -3.440 689 HB1 ALA 88 3HB ALA 88 -1.997 10.243 -3.261 690 HB2 ALA 88 1HB ALA 88 -1.891 9.706 -1.584 691 HB3 ALA 88 2HB ALA 88 -1.276 11.295 -2.043 692 H ARG 89 H ARG 89 0.753 10.167 -4.998 693 HA ARG 89 HA ARG 89 2.334 12.509 -4.181 694 HB2 ARG 89 1HB ARG 89 3.991 10.856 -4.492 695 HB3 ARG 89 2HB ARG 89 3.188 10.202 -5.914 696 HG2 ARG 89 1HG ARG 89 3.692 12.374 -7.071 697 HG3 ARG 89 2HG ARG 89 4.699 12.789 -5.682 698 HD2 ARG 89 1HD ARG 89 6.229 11.094 -6.130 699 HD3 ARG 89 2HD ARG 89 5.087 10.197 -7.130 700 HE ARG 89 HE ARG 89 5.413 12.451 -8.543 701 HH11 ARG 89 1HH1 ARG 89 7.701 10.278 -7.072 702 HH12 ARG 89 2HH1 ARG 89 8.940 10.579 -8.245 703 HH21 ARG 89 1HH2 ARG 89 7.036 12.855 -10.095 704 HH22 ARG 89 2HH2 ARG 89 8.560 12.046 -9.964 705 H ASN 90 H ASN 90 1.957 14.279 -5.354 706 HA ASN 90 HA ASN 90 0.531 13.962 -7.914 707 HB2 ASN 90 1HB ASN 90 -0.388 16.275 -7.416 708 HB3 ASN 90 2HB ASN 90 -0.980 14.978 -6.383 709 HD21 ASN 90 1HD2 ASN 90 -1.525 16.409 -4.747 710 HD22 ASN 90 2HD2 ASN 90 -0.333 17.168 -3.753 711 H SER 91 H SER 91 0.783 15.971 -9.337 712 HA SER 91 HA SER 91 3.277 16.211 -10.336 713 HB2 SER 91 1HB SER 91 2.611 18.357 -11.324 714 HB3 SER 91 2HB SER 91 1.282 17.199 -11.395 715 HG SER 91 HG SER 91 1.472 18.929 -9.196 716 H LYS 92 H LYS 92 2.042 17.814 -7.497 717 HA LYS 92 HA LYS 92 4.200 19.672 -7.235 718 HB2 LYS 92 1HB LYS 92 2.294 18.699 -5.101 719 HB3 LYS 92 2HB LYS 92 3.272 20.160 -5.049 720 HG2 LYS 92 1HG LYS 92 1.927 21.277 -6.542 721 HG3 LYS 92 2HG LYS 92 1.310 19.789 -7.264 722 HD2 LYS 92 1HD LYS 92 0.173 19.351 -5.038 723 HD3 LYS 92 2HD LYS 92 0.581 21.015 -4.613 724 HE2 LYS 92 1HE LYS 92 -0.540 21.486 -6.972 725 HE3 LYS 92 2HE LYS 92 -1.368 19.975 -6.601 726 HZ1 LYS 92 3HZ LYS 92 -1.493 22.552 -5.185 727 HZ2 LYS 92 1HZ LYS 92 -1.811 21.119 -4.343 728 HZ3 LYS 92 2HZ LYS 92 -2.756 21.542 -5.681 729 H GLY 93 H GLY 93 3.289 16.999 -5.051 730 HA2 GLY 93 1HA GLY 93 5.945 15.902 -5.079 731 HA3 GLY 93 2HA GLY 93 5.598 16.800 -3.609 732 H VAL 94 H VAL 94 5.880 14.812 -2.452 733 HA VAL 94 HA VAL 94 3.506 13.072 -2.612 734 HB VAL 94 HB VAL 94 5.504 11.878 -3.409 735 HG11 VAL 94 1HG1 VAL 94 6.988 13.280 -1.769 736 HG12 VAL 94 2HG1 VAL 94 6.670 11.942 -0.664 737 HG13 VAL 94 3HG1 VAL 94 7.454 11.639 -2.215 738 HG21 VAL 94 3HG2 VAL 94 4.575 10.886 -0.715 739 HG22 VAL 94 1HG2 VAL 94 3.695 10.683 -2.230 740 HG23 VAL 94 2HG2 VAL 94 5.268 9.915 -2.014 741 H GLY 95 H GLY 95 2.531 12.497 -0.705 742 HA2 GLY 95 1HA GLY 95 3.363 14.042 1.639 743 HA3 GLY 95 2HA GLY 95 1.795 13.284 1.402 744 HA PRO 96 HA PRO 96 4.116 10.670 4.407 745 HB2 PRO 96 1HB PRO 96 1.968 10.214 6.004 746 HB3 PRO 96 2HB PRO 96 2.999 11.641 6.164 747 HG2 PRO 96 1HG PRO 96 0.348 11.363 4.803 748 HG3 PRO 96 2HG PRO 96 0.934 12.665 5.854 749 HD2 PRO 96 1HD PRO 96 0.898 12.877 3.155 750 HD3 PRO 96 2HD PRO 96 2.132 13.665 4.158 751 H LEU 97 H LEU 97 2.978 8.520 5.464 752 HA LEU 97 HA LEU 97 1.719 7.081 3.224 753 HB2 LEU 97 1HB LEU 97 3.675 5.839 5.138 754 HB3 LEU 97 2HB LEU 97 3.051 5.168 3.633 755 HG LEU 97 HG LEU 97 4.292 7.303 2.633 756 HD11 LEU 97 1HD1 LEU 97 6.089 6.590 4.928 757 HD12 LEU 97 2HD1 LEU 97 4.965 7.946 5.004 758 HD13 LEU 97 3HD1 LEU 97 6.236 7.923 3.783 759 HD21 LEU 97 3HD2 LEU 97 6.376 5.463 2.970 760 HD22 LEU 97 1HD2 LEU 97 5.250 5.577 1.617 761 HD23 LEU 97 2HD2 LEU 97 4.889 4.513 2.977 762 H SER 98 H SER 98 0.622 5.046 3.930 763 HA SER 98 HA SER 98 -1.070 5.633 6.190 764 HB2 SER 98 1HB SER 98 -2.372 3.710 5.476 765 HB3 SER 98 2HB SER 98 -1.966 4.688 4.066 766 HG SER 98 HG SER 98 -1.050 2.984 3.279 767 H ASP 99 H ASP 99 -1.672 3.675 7.630 768 HA ASP 99 HA ASP 99 0.630 3.003 9.145 769 HB2 ASP 99 1HB ASP 99 -1.121 1.416 10.287 770 HB3 ASP 99 2HB ASP 99 -1.261 3.163 10.468 771 HA PRO 100 HA PRO 100 1.960 -0.735 7.257 772 HB2 PRO 100 1HB PRO 100 3.050 -1.991 9.403 773 HB3 PRO 100 2HB PRO 100 3.808 -0.601 8.616 774 HG2 PRO 100 1HG PRO 100 2.147 -0.695 11.105 775 HG3 PRO 100 2HG PRO 100 3.642 0.205 10.791 776 HD2 PRO 100 1HD PRO 100 1.196 1.364 10.694 777 HD3 PRO 100 2HD PRO 100 2.541 1.885 9.660 778 H ILE 101 H ILE 101 0.315 -2.017 6.594 779 HA ILE 101 HA ILE 101 -1.465 -3.295 8.474 780 HB ILE 101 HB ILE 101 -1.257 -3.692 5.488 781 HG12 ILE 101 1HG1 ILE 101 -2.985 -1.834 7.134 782 HG13 ILE 101 2HG1 ILE 101 -1.752 -1.372 5.967 783 HG21 ILE 101 1HG2 ILE 101 -2.474 -5.365 7.139 784 HG22 ILE 101 2HG2 ILE 101 -3.753 -4.158 7.025 785 HG23 ILE 101 3HG2 ILE 101 -3.156 -4.950 5.567 786 HD11 ILE 101 3HD1 ILE 101 -3.197 -1.471 4.294 787 HD12 ILE 101 1HD1 ILE 101 -3.739 -3.081 4.767 788 HD13 ILE 101 2HD1 ILE 101 -4.466 -1.653 5.505 789 H LEU 102 H LEU 102 -1.405 -5.354 9.174 790 HA LEU 102 HA LEU 102 0.936 -6.945 8.459 791 HB2 LEU 102 1HB LEU 102 -0.939 -6.840 10.753 792 HB3 LEU 102 2HB LEU 102 -0.209 -8.400 10.378 793 HG LEU 102 HG LEU 102 2.036 -7.251 10.546 794 HD11 LEU 102 1HD1 LEU 102 2.203 -5.148 11.629 795 HD12 LEU 102 2HD1 LEU 102 0.471 -5.102 11.956 796 HD13 LEU 102 3HD1 LEU 102 1.060 -4.948 10.301 797 HD21 LEU 102 3HD2 LEU 102 0.156 -7.713 12.812 798 HD22 LEU 102 1HD2 LEU 102 1.751 -7.038 13.142 799 HD23 LEU 102 2HD2 LEU 102 1.605 -8.606 12.348 800 H PHE 103 H PHE 103 0.574 -8.055 6.621 801 HA PHE 103 HA PHE 103 -1.733 -9.878 6.599 802 HB2 PHE 103 1HB PHE 103 -2.320 -8.149 5.050 803 HB3 PHE 103 2HB PHE 103 -0.719 -8.179 4.319 804 HD1 PHE 103 1HD PHE 103 -3.952 -9.871 4.554 805 HD2 PHE 103 2HD PHE 103 -0.105 -9.887 2.735 806 HE1 PHE 103 1HE PHE 103 -4.753 -11.491 2.884 807 HE2 PHE 103 2HE PHE 103 -0.899 -11.506 1.061 808 HZ PHE 103 HZ PHE 103 -3.226 -12.309 1.134 809 H ARG 104 H ARG 104 -0.910 -11.852 6.796 810 HA ARG 104 HA ARG 104 1.749 -12.500 5.922 811 HB2 ARG 104 1HB ARG 104 0.343 -13.454 7.931 812 HB3 ARG 104 2HB ARG 104 -0.247 -14.581 6.718 813 HG2 ARG 104 1HG ARG 104 1.511 -15.796 7.431 814 HG3 ARG 104 2HG ARG 104 2.380 -14.797 6.265 815 HD2 ARG 104 1HD ARG 104 3.548 -14.902 8.414 816 HD3 ARG 104 2HD ARG 104 3.026 -13.261 8.035 817 HE ARG 104 HE ARG 104 1.011 -14.334 9.561 818 HH11 ARG 104 1HH1 ARG 104 4.423 -13.767 9.950 819 HH12 ARG 104 2HH1 ARG 104 4.324 -13.548 11.665 820 HH21 ARG 104 1HH2 ARG 104 0.867 -14.048 11.819 821 HH22 ARG 104 2HH2 ARG 104 2.301 -13.709 12.728 822 H THR 105 H THR 105 2.352 -13.931 4.292 823 HA THR 105 HA THR 105 0.547 -13.999 2.030 824 HB THR 105 HB THR 105 2.593 -15.219 0.973 825 HG1 THR 105 1HG THR 105 4.553 -14.596 2.103 826 HG21 THR 105 3HG2 THR 105 1.805 -12.792 0.693 827 HG22 THR 105 1HG2 THR 105 3.482 -13.158 0.293 828 HG23 THR 105 2HG2 THR 105 3.091 -12.382 1.828 829 H LEU 106 H LEU 106 0.150 -15.957 0.798 830 HA LEU 106 HA LEU 106 -0.882 -18.042 2.352 831 HB2 LEU 106 1HB LEU 106 -0.426 -17.557 -0.528 832 HB3 LEU 106 2HB LEU 106 -0.644 -19.236 -0.038 833 HG LEU 106 HG LEU 106 -2.609 -17.006 0.485 834 HD11 LEU 106 1HD1 LEU 106 -2.229 -18.860 -1.774 835 HD12 LEU 106 2HD1 LEU 106 -2.997 -17.274 -1.719 836 HD13 LEU 106 3HD1 LEU 106 -3.879 -18.699 -1.171 837 HD21 LEU 106 3HD2 LEU 106 -3.779 -19.566 0.637 838 HD22 LEU 106 1HD2 LEU 106 -3.541 -18.398 1.938 839 HD23 LEU 106 2HD2 LEU 106 -2.307 -19.615 1.609 840 H LYS 107 H LYS 107 -0.273 -20.401 1.987 841 HA LYS 107 HA LYS 107 2.658 -20.696 2.085 842 HB2 LYS 107 1HB LYS 107 0.651 -22.310 3.667 843 HB3 LYS 107 2HB LYS 107 2.404 -22.411 3.775 844 HG2 LYS 107 1HG LYS 107 2.001 -21.113 5.589 845 HG3 LYS 107 2HG LYS 107 2.151 -19.845 4.369 846 HD2 LYS 107 1HD LYS 107 0.206 -19.315 5.590 847 HD3 LYS 107 2HD LYS 107 -0.369 -20.034 4.084 848 HE2 LYS 107 1HE LYS 107 -1.647 -20.962 5.875 849 HE3 LYS 107 2HE LYS 107 -0.555 -22.214 5.286 850 HZ1 LYS 107 3HZ LYS 107 -0.495 -22.264 7.638 851 HZ2 LYS 107 1HZ LYS 107 -0.270 -20.591 7.751 852 HZ3 LYS 107 2HZ LYS 107 0.965 -21.571 7.138 853 H VAL 108 H VAL 108 3.168 -21.587 0.176 854 HA VAL 108 HA VAL 108 1.715 -24.026 -0.617 855 HB VAL 108 HB VAL 108 1.067 -22.504 -2.269 856 HG11 VAL 108 1HG1 VAL 108 2.993 -21.168 -3.471 857 HG12 VAL 108 2HG1 VAL 108 2.248 -20.562 -1.991 858 HG13 VAL 108 3HG1 VAL 108 3.804 -21.389 -1.921 859 HG21 VAL 108 3HG2 VAL 108 3.560 -23.658 -3.493 860 HG22 VAL 108 1HG2 VAL 108 2.153 -24.643 -3.091 861 HG23 VAL 108 2HG2 VAL 108 2.008 -23.337 -4.267 862 H SER 109 H SER 109 3.174 -25.465 0.240 863 HA SER 109 HA SER 109 5.987 -25.228 -0.521 864 HB2 SER 109 1HB SER 109 5.610 -25.711 1.814 865 HB3 SER 109 2HB SER 109 4.568 -27.076 1.411 866 HG SER 109 HG SER 109 7.301 -26.911 0.674 867 H GLY 110 H GLY 110 3.542 -27.833 -0.430 868 HA2 GLY 110 1HA GLY 110 4.885 -29.015 -2.780 869 HA3 GLY 110 2HA GLY 110 4.003 -29.939 -1.573 870 HA PRO 111 HA PRO 111 1.247 -29.142 -5.250 871 HB2 PRO 111 1HB PRO 111 0.550 -31.741 -5.616 872 HB3 PRO 111 2HB PRO 111 1.980 -31.016 -6.360 873 HG2 PRO 111 1HG PRO 111 1.777 -32.712 -3.901 874 HG3 PRO 111 2HG PRO 111 2.970 -32.780 -5.211 875 HD2 PRO 111 1HD PRO 111 3.482 -31.586 -2.835 876 HD3 PRO 111 2HD PRO 111 4.190 -31.019 -4.361 877 H SER 112 H SER 112 -1.079 -29.709 -5.440 878 HA SER 112 HA SER 112 -3.176 -29.640 -4.553 879 HB2 SER 112 1HB SER 112 -1.852 -31.863 -3.031 880 HB3 SER 112 2HB SER 112 -3.500 -31.381 -2.628 881 HG SER 112 HG SER 112 -3.665 -32.954 -4.166 882 H SER 113 H SER 113 -1.527 -27.608 -3.643 883 HA SER 113 HA SER 113 -1.089 -27.103 -1.047 884 HB2 SER 113 1HB SER 113 -0.754 -25.413 -2.781 885 HB3 SER 113 2HB SER 113 -2.498 -25.217 -2.952 886 HG SER 113 HG SER 113 -2.544 -24.482 -0.784 887 H GLY 114 H GLY 114 -2.270 -27.806 0.624 888 HA2 GLY 114 1HA GLY 114 -4.324 -26.711 1.825 889 HA3 GLY 114 2HA GLY 114 -5.187 -27.535 0.534 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -3.532 34.025 -3.991 2 HA2 GLY 1 1HA GLY 1 -4.934 32.236 -5.670 3 HA3 GLY 1 2HA GLY 1 -3.312 32.850 -5.952 4 H SER 2 H SER 2 -1.898 31.272 -6.224 5 HA SER 2 HA SER 2 -2.363 28.695 -4.909 6 HB2 SER 2 1HB SER 2 -0.762 27.782 -6.516 7 HB3 SER 2 2HB SER 2 -2.015 28.694 -7.358 8 HG SER 2 HG SER 2 0.284 30.074 -6.607 9 H SER 3 H SER 3 -0.909 27.759 -3.533 10 HA SER 3 HA SER 3 1.031 29.555 -2.327 11 HB2 SER 3 1HB SER 3 -0.050 26.847 -1.545 12 HB3 SER 3 2HB SER 3 1.274 27.622 -0.676 13 HG SER 3 HG SER 3 -1.063 29.088 -1.141 14 H GLY 4 H GLY 4 1.808 28.877 -4.871 15 HA2 GLY 4 1HA GLY 4 3.725 28.228 -5.966 16 HA3 GLY 4 2HA GLY 4 4.400 27.798 -4.401 17 H SER 5 H SER 5 4.025 25.692 -3.563 18 HA SER 5 HA SER 5 2.634 23.706 -5.064 19 HB2 SER 5 1HB SER 5 4.592 22.355 -5.717 20 HB3 SER 5 2HB SER 5 4.593 23.924 -6.522 21 HG SER 5 HG SER 5 6.526 22.901 -5.113 22 H SER 6 H SER 6 1.929 22.292 -3.618 23 HA SER 6 HA SER 6 3.665 21.402 -1.458 24 HB2 SER 6 1HB SER 6 1.105 22.927 -1.046 25 HB3 SER 6 2HB SER 6 1.664 21.762 0.155 26 HG SER 6 HG SER 6 2.401 24.238 -0.037 27 H GLY 7 H GLY 7 3.642 19.282 -1.901 28 HA2 GLY 7 1HA GLY 7 1.661 17.822 -3.162 29 HA3 GLY 7 2HA GLY 7 2.844 17.134 -2.060 30 HA PRO 8 HA PRO 8 -1.467 16.633 -0.314 31 HB2 PRO 8 1HB PRO 8 -1.328 13.938 -0.017 32 HB3 PRO 8 2HB PRO 8 -1.886 14.713 -1.504 33 HG2 PRO 8 1HG PRO 8 0.804 13.569 -0.859 34 HG3 PRO 8 2HG PRO 8 -0.146 13.421 -2.348 35 HD2 PRO 8 1HD PRO 8 1.915 15.161 -2.101 36 HD3 PRO 8 2HD PRO 8 0.495 15.499 -3.113 37 H THR 9 H THR 9 -1.924 16.420 1.846 38 HA THR 9 HA THR 9 0.376 15.876 3.603 39 HB THR 9 HB THR 9 -0.824 17.210 5.315 40 HG1 THR 9 1HG THR 9 -2.555 18.136 3.287 41 HG21 THR 9 3HG2 THR 9 -0.836 19.203 3.228 42 HG22 THR 9 1HG2 THR 9 0.550 18.126 3.059 43 HG23 THR 9 2HG2 THR 9 0.288 18.996 4.571 44 H SER 10 H SER 10 -1.544 13.912 2.445 45 HA SER 10 HA SER 10 -2.094 12.498 4.906 46 HB2 SER 10 1HB SER 10 -4.130 13.942 4.463 47 HB3 SER 10 2HB SER 10 -4.389 12.989 3.002 48 HG SER 10 HG SER 10 -4.055 11.689 5.468 49 H ALA 11 H ALA 11 -2.546 10.260 4.581 50 HA ALA 11 HA ALA 11 -1.464 9.269 2.055 51 HB1 ALA 11 3HB ALA 11 -1.858 7.072 3.665 52 HB2 ALA 11 1HB ALA 11 -0.353 7.978 3.495 53 HB3 ALA 11 2HB ALA 11 -1.463 8.350 4.815 54 HA PRO 12 HA PRO 12 -5.192 7.585 0.468 55 HB2 PRO 12 1HB PRO 12 -4.476 5.096 -0.346 56 HB3 PRO 12 2HB PRO 12 -3.953 6.566 -1.177 57 HG2 PRO 12 1HG PRO 12 -2.471 4.879 0.803 58 HG3 PRO 12 2HG PRO 12 -1.886 5.610 -0.703 59 HD2 PRO 12 1HD PRO 12 -1.395 6.695 1.728 60 HD3 PRO 12 2HD PRO 12 -1.597 7.681 0.266 61 H LYS 13 H LYS 13 -6.844 5.912 0.691 62 HA LYS 13 HA LYS 13 -6.671 4.476 3.259 63 HB2 LYS 13 1HB LYS 13 -9.248 4.825 3.248 64 HB3 LYS 13 2HB LYS 13 -8.205 6.147 3.755 65 HG2 LYS 13 1HG LYS 13 -8.397 7.156 1.541 66 HG3 LYS 13 2HG LYS 13 -9.438 5.826 1.026 67 HD2 LYS 13 1HD LYS 13 -11.027 7.366 1.604 68 HD3 LYS 13 2HD LYS 13 -10.822 6.550 3.156 69 HE2 LYS 13 1HE LYS 13 -8.952 8.394 3.466 70 HE3 LYS 13 2HE LYS 13 -9.944 9.258 2.292 71 HZ1 LYS 13 3HZ LYS 13 -10.795 9.902 4.337 72 HZ2 LYS 13 1HZ LYS 13 -10.670 8.353 5.007 73 HZ3 LYS 13 2HZ LYS 13 -11.863 8.683 3.854 74 H ASP 14 H ASP 14 -8.811 2.931 3.261 75 HA ASP 14 HA ASP 14 -9.665 0.967 2.496 76 HB2 ASP 14 1HB ASP 14 -10.493 2.631 0.712 77 HB3 ASP 14 2HB ASP 14 -9.224 1.963 -0.311 78 H LEU 15 H LEU 15 -6.767 1.282 2.861 79 HA LEU 15 HA LEU 15 -5.421 -0.188 0.825 80 HB2 LEU 15 1HB LEU 15 -4.295 1.387 2.354 81 HB3 LEU 15 2HB LEU 15 -4.615 0.285 3.691 82 HG LEU 15 HG LEU 15 -3.152 -1.384 2.689 83 HD11 LEU 15 1HD1 LEU 15 -3.248 0.489 0.411 84 HD12 LEU 15 2HD1 LEU 15 -3.102 -1.268 0.435 85 HD13 LEU 15 3HD1 LEU 15 -1.687 -0.261 0.745 86 HD21 LEU 15 3HD2 LEU 15 -2.382 0.998 3.873 87 HD22 LEU 15 1HD2 LEU 15 -1.305 0.839 2.485 88 HD23 LEU 15 2HD2 LEU 15 -1.393 -0.451 3.685 89 H THR 16 H THR 16 -6.244 -2.174 0.419 90 HA THR 16 HA THR 16 -6.235 -4.092 2.656 91 HB THR 16 HB THR 16 -8.134 -4.225 0.311 92 HG1 THR 16 1HG THR 16 -9.565 -3.137 1.491 93 HG21 THR 16 3HG2 THR 16 -9.142 -5.605 2.516 94 HG22 THR 16 1HG2 THR 16 -7.429 -6.018 2.466 95 HG23 THR 16 2HG2 THR 16 -8.447 -6.306 1.055 96 H VAL 17 H VAL 17 -5.182 -5.974 2.326 97 HA VAL 17 HA VAL 17 -4.085 -6.447 -0.370 98 HB VAL 17 HB VAL 17 -2.844 -7.152 2.294 99 HG11 VAL 17 1HG1 VAL 17 -1.224 -8.328 1.228 100 HG12 VAL 17 2HG1 VAL 17 -2.526 -8.594 0.066 101 HG13 VAL 17 3HG1 VAL 17 -1.317 -7.345 -0.233 102 HG21 VAL 17 3HG2 VAL 17 -2.170 -5.017 2.223 103 HG22 VAL 17 1HG2 VAL 17 -1.080 -5.549 0.942 104 HG23 VAL 17 2HG2 VAL 17 -2.638 -4.829 0.533 105 H ILE 18 H ILE 18 -4.596 -8.307 -1.324 106 HA ILE 18 HA ILE 18 -5.459 -10.571 0.339 107 HB ILE 18 HB ILE 18 -7.217 -11.102 -1.337 108 HG12 ILE 18 1HG1 ILE 18 -6.882 -8.272 -2.319 109 HG13 ILE 18 2HG1 ILE 18 -6.102 -9.631 -3.120 110 HG21 ILE 18 1HG2 ILE 18 -8.838 -9.710 -0.384 111 HG22 ILE 18 2HG2 ILE 18 -7.560 -9.788 0.828 112 HG23 ILE 18 3HG2 ILE 18 -7.708 -8.367 -0.205 113 HD11 ILE 18 3HD1 ILE 18 -8.159 -10.573 -3.745 114 HD12 ILE 18 1HD1 ILE 18 -9.061 -9.535 -2.641 115 HD13 ILE 18 2HD1 ILE 18 -8.303 -8.847 -4.078 116 H THR 19 H THR 19 -4.929 -12.591 -0.426 117 HA THR 19 HA THR 19 -2.779 -12.700 -2.325 118 HB THR 19 HB THR 19 -2.871 -14.144 -0.289 119 HG1 THR 19 1HG THR 19 -1.606 -14.704 -2.172 120 HG21 THR 19 3HG2 THR 19 -4.900 -15.760 -1.825 121 HG22 THR 19 1HG2 THR 19 -5.328 -14.654 -0.521 122 HG23 THR 19 2HG2 THR 19 -4.302 -16.050 -0.192 123 H ARG 20 H ARG 20 -2.847 -13.240 -4.419 124 HA ARG 20 HA ARG 20 -5.159 -13.208 -5.921 125 HB2 ARG 20 1HB ARG 20 -2.623 -13.126 -6.604 126 HB3 ARG 20 2HB ARG 20 -2.838 -14.855 -6.844 127 HG2 ARG 20 1HG ARG 20 -3.318 -14.119 -8.938 128 HG3 ARG 20 2HG ARG 20 -4.933 -14.044 -8.230 129 HD2 ARG 20 1HD ARG 20 -4.122 -11.610 -7.568 130 HD3 ARG 20 2HD ARG 20 -3.065 -11.850 -8.959 131 HE ARG 20 HE ARG 20 -5.933 -11.501 -8.986 132 HH11 ARG 20 1HH1 ARG 20 -3.121 -12.583 -10.730 133 HH12 ARG 20 2HH1 ARG 20 -3.862 -12.417 -12.288 134 HH21 ARG 20 1HH2 ARG 20 -6.919 -11.277 -11.031 135 HH22 ARG 20 2HH2 ARG 20 -6.022 -11.673 -12.457 136 H GLU 21 H GLU 21 -6.429 -14.790 -6.925 137 HA GLU 21 HA GLU 21 -6.845 -17.150 -5.345 138 HB2 GLU 21 1HB GLU 21 -8.820 -17.450 -6.552 139 HB3 GLU 21 2HB GLU 21 -8.619 -15.703 -6.534 140 HG2 GLU 21 1HG GLU 21 -7.505 -15.959 -8.799 141 HG3 GLU 21 2HG GLU 21 -8.126 -17.608 -8.797 142 H GLY 22 H GLY 22 -5.013 -16.374 -8.123 143 HA2 GLY 22 1HA GLY 22 -4.679 -19.250 -8.718 144 HA3 GLY 22 2HA GLY 22 -4.565 -17.991 -9.939 145 H LYS 23 H LYS 23 -3.181 -16.671 -7.308 146 HA LYS 23 HA LYS 23 -0.559 -17.913 -7.669 147 HB2 LYS 23 1HB LYS 23 -1.135 -14.977 -8.089 148 HB3 LYS 23 2HB LYS 23 0.482 -15.641 -7.893 149 HG2 LYS 23 1HG LYS 23 -1.244 -16.822 -9.994 150 HG3 LYS 23 2HG LYS 23 -0.589 -15.207 -10.272 151 HD2 LYS 23 1HD LYS 23 1.253 -17.335 -9.303 152 HD3 LYS 23 2HD LYS 23 0.735 -17.379 -10.990 153 HE2 LYS 23 1HE LYS 23 1.857 -14.898 -9.719 154 HE3 LYS 23 2HE LYS 23 2.888 -16.120 -10.460 155 HZ1 LYS 23 3HZ LYS 23 1.981 -14.085 -11.821 156 HZ2 LYS 23 1HZ LYS 23 0.638 -15.094 -12.023 157 HZ3 LYS 23 2HZ LYS 23 2.165 -15.606 -12.538 158 HA PRO 24 HA PRO 24 -1.057 -17.302 -3.236 159 HB2 PRO 24 1HB PRO 24 0.981 -18.961 -2.553 160 HB3 PRO 24 2HB PRO 24 -0.626 -19.546 -2.998 161 HG2 PRO 24 1HG PRO 24 1.857 -19.380 -4.662 162 HG3 PRO 24 2HG PRO 24 0.668 -20.691 -4.555 163 HD2 PRO 24 1HD PRO 24 0.682 -18.900 -6.586 164 HD3 PRO 24 2HD PRO 24 -0.813 -19.634 -5.970 165 H ARG 25 H ARG 25 1.916 -17.074 -5.120 166 HA ARG 25 HA ARG 25 3.290 -15.579 -3.061 167 HB2 ARG 25 1HB ARG 25 3.996 -16.494 -5.832 168 HB3 ARG 25 2HB ARG 25 4.993 -15.306 -5.003 169 HG2 ARG 25 1HG ARG 25 5.432 -16.860 -3.213 170 HG3 ARG 25 2HG ARG 25 4.333 -18.040 -3.930 171 HD2 ARG 25 1HD ARG 25 6.324 -18.836 -4.717 172 HD3 ARG 25 2HD ARG 25 5.910 -17.722 -6.019 173 HE ARG 25 HE ARG 25 7.357 -16.159 -4.396 174 HH11 ARG 25 1HH1 ARG 25 7.925 -19.358 -5.647 175 HH12 ARG 25 2HH1 ARG 25 9.649 -19.191 -5.655 176 HH21 ARG 25 1HH2 ARG 25 9.626 -15.927 -4.402 177 HH22 ARG 25 2HH2 ARG 25 10.616 -17.239 -4.946 178 H ALA 26 H ALA 26 0.831 -14.746 -4.924 179 HA ALA 26 HA ALA 26 1.863 -12.041 -5.479 180 HB1 ALA 26 3HB ALA 26 0.753 -13.758 -7.282 181 HB2 ALA 26 1HB ALA 26 -0.640 -12.789 -6.799 182 HB3 ALA 26 2HB ALA 26 0.799 -12.003 -7.450 183 H VAL 27 H VAL 27 0.313 -10.276 -5.213 184 HA VAL 27 HA VAL 27 -2.015 -10.770 -3.561 185 HB VAL 27 HB VAL 27 -1.304 -9.200 -1.785 186 HG11 VAL 27 1HG1 VAL 27 -0.079 -10.776 -0.536 187 HG12 VAL 27 2HG1 VAL 27 -1.043 -11.727 -1.667 188 HG13 VAL 27 3HG1 VAL 27 0.672 -11.457 -1.979 189 HG21 VAL 27 3HG2 VAL 27 0.361 -7.888 -2.824 190 HG22 VAL 27 1HG2 VAL 27 1.198 -8.826 -1.587 191 HG23 VAL 27 2HG2 VAL 27 1.304 -9.307 -3.281 192 H ILE 28 H ILE 28 -3.561 -9.265 -3.870 193 HA ILE 28 HA ILE 28 -2.925 -7.057 -5.681 194 HB ILE 28 HB ILE 28 -5.707 -7.751 -4.813 195 HG12 ILE 28 1HG1 ILE 28 -4.588 -9.866 -5.490 196 HG13 ILE 28 2HG1 ILE 28 -5.885 -9.398 -6.584 197 HG21 ILE 28 1HG2 ILE 28 -5.569 -7.174 -7.541 198 HG22 ILE 28 2HG2 ILE 28 -6.144 -6.117 -6.252 199 HG23 ILE 28 3HG2 ILE 28 -4.459 -6.045 -6.765 200 HD11 ILE 28 3HD1 ILE 28 -3.081 -9.817 -7.113 201 HD12 ILE 28 1HD1 ILE 28 -4.438 -9.698 -8.232 202 HD13 ILE 28 2HD1 ILE 28 -3.624 -8.236 -7.675 203 H VAL 29 H VAL 29 -2.134 -5.409 -4.463 204 HA VAL 29 HA VAL 29 -3.431 -4.645 -1.983 205 HB VAL 29 HB VAL 29 -1.136 -3.309 -3.424 206 HG11 VAL 29 1HG1 VAL 29 -0.755 -2.071 -1.458 207 HG12 VAL 29 2HG1 VAL 29 -2.492 -1.961 -1.750 208 HG13 VAL 29 3HG1 VAL 29 -1.871 -3.063 -0.520 209 HG21 VAL 29 3HG2 VAL 29 -1.208 -5.449 -1.314 210 HG22 VAL 29 1HG2 VAL 29 -0.388 -5.474 -2.875 211 HG23 VAL 29 2HG2 VAL 29 0.208 -4.433 -1.582 212 H SER 30 H SER 30 -5.280 -3.551 -2.138 213 HA SER 30 HA SER 30 -5.601 -1.580 -4.287 214 HB2 SER 30 1HB SER 30 -7.998 -1.674 -3.783 215 HB3 SER 30 2HB SER 30 -7.365 -3.293 -4.079 216 HG SER 30 HG SER 30 -8.581 -2.331 -1.888 217 H TRP 31 H TRP 31 -6.994 0.365 -3.610 218 HA TRP 31 HA TRP 31 -6.963 1.306 -0.960 219 HB2 TRP 31 1HB TRP 31 -5.197 2.998 -1.094 220 HB3 TRP 31 2HB TRP 31 -4.529 1.380 -1.293 221 HD1 TRP 31 HD TRP 31 -5.284 4.568 -3.303 222 HE1 TRP 31 1HE TRP 31 -3.863 4.531 -5.448 223 HE3 TRP 31 3HE TRP 31 -3.324 -0.137 -2.898 224 HZ2 TRP 31 2HZ TRP 31 -2.139 2.744 -6.792 225 HZ3 TRP 31 3HZ TRP 31 -1.798 -0.934 -4.656 226 HH2 TRP 31 HH TRP 31 -1.220 0.478 -6.562 227 H GLN 32 H GLN 32 -7.004 3.933 -1.107 228 HA GLN 32 HA GLN 32 -8.580 4.697 -3.458 229 HB2 GLN 32 1HB GLN 32 -9.502 4.570 -0.645 230 HB3 GLN 32 2HB GLN 32 -9.967 6.002 -1.554 231 HG2 GLN 32 1HG GLN 32 -10.387 3.430 -2.919 232 HG3 GLN 32 2HG GLN 32 -11.389 3.724 -1.499 233 HE21 GLN 32 1HE2 GLN 32 -10.934 4.352 -4.784 234 HE22 GLN 32 2HE2 GLN 32 -12.176 5.536 -4.984 235 HA PRO 33 HA PRO 33 -6.442 8.522 -3.310 236 HB2 PRO 33 1HB PRO 33 -8.365 10.313 -3.993 237 HB3 PRO 33 2HB PRO 33 -7.659 9.175 -5.146 238 HG2 PRO 33 1HG PRO 33 -10.249 9.000 -3.655 239 HG3 PRO 33 2HG PRO 33 -9.908 8.620 -5.353 240 HD2 PRO 33 1HD PRO 33 -10.115 6.709 -3.447 241 HD3 PRO 33 2HD PRO 33 -9.034 6.549 -4.846 242 HA PRO 34 HA PRO 34 -7.073 10.140 0.775 243 HB2 PRO 34 1HB PRO 34 -5.186 12.088 0.658 244 HB3 PRO 34 2HB PRO 34 -4.789 10.377 0.859 245 HG2 PRO 34 1HG PRO 34 -4.741 12.055 -1.620 246 HG3 PRO 34 2HG PRO 34 -3.562 10.856 -1.058 247 HD2 PRO 34 1HD PRO 34 -5.404 10.305 -2.964 248 HD3 PRO 34 2HD PRO 34 -4.815 9.079 -1.823 249 H LEU 35 H LEU 35 -8.099 11.865 1.749 250 HA LEU 35 HA LEU 35 -9.677 13.540 0.066 251 HB2 LEU 35 1HB LEU 35 -9.345 13.166 3.002 252 HB3 LEU 35 2HB LEU 35 -10.154 14.620 2.420 253 HG LEU 35 HG LEU 35 -11.738 12.857 3.055 254 HD11 LEU 35 1HD1 LEU 35 -12.908 14.039 1.562 255 HD12 LEU 35 2HD1 LEU 35 -12.628 12.675 0.481 256 HD13 LEU 35 3HD1 LEU 35 -11.574 14.086 0.409 257 HD21 LEU 35 3HD2 LEU 35 -9.911 11.178 1.739 258 HD22 LEU 35 1HD2 LEU 35 -11.400 11.130 0.794 259 HD23 LEU 35 2HD2 LEU 35 -11.432 10.728 2.511 260 H GLU 36 H GLU 36 -6.757 13.974 1.957 261 HA GLU 36 HA GLU 36 -6.718 16.836 1.381 262 HB2 GLU 36 1HB GLU 36 -4.787 15.152 2.987 263 HB3 GLU 36 2HB GLU 36 -4.763 16.905 2.859 264 HG2 GLU 36 1HG GLU 36 -7.187 16.741 3.776 265 HG3 GLU 36 2HG GLU 36 -6.677 15.142 4.315 266 H ALA 37 H ALA 37 -6.535 15.292 -0.894 267 HA ALA 37 HA ALA 37 -3.875 14.732 -1.693 268 HB1 ALA 37 3HB ALA 37 -5.043 13.704 -3.277 269 HB2 ALA 37 1HB ALA 37 -6.502 14.600 -2.854 270 HB3 ALA 37 2HB ALA 37 -5.351 15.281 -4.004 271 H ASN 38 H ASN 38 -5.517 17.650 -1.237 272 HA ASN 38 HA ASN 38 -5.157 19.812 -1.896 273 HB2 ASN 38 1HB ASN 38 -2.383 18.685 -1.555 274 HB3 ASN 38 2HB ASN 38 -2.651 20.386 -1.925 275 HD21 ASN 38 1HD2 ASN 38 -1.785 18.617 0.492 276 HD22 ASN 38 2HD2 ASN 38 -2.619 19.358 1.811 277 H GLY 39 H GLY 39 -5.756 18.123 -4.076 278 HA2 GLY 39 1HA GLY 39 -5.532 19.557 -6.284 279 HA3 GLY 39 2HA GLY 39 -3.909 18.888 -6.206 280 H LYS 40 H LYS 40 -3.666 17.231 -7.532 281 HA LYS 40 HA LYS 40 -5.721 15.151 -7.599 282 HB2 LYS 40 1HB LYS 40 -6.340 16.414 -9.508 283 HB3 LYS 40 2HB LYS 40 -4.665 16.646 -9.992 284 HG2 LYS 40 1HG LYS 40 -4.610 14.091 -10.268 285 HG3 LYS 40 2HG LYS 40 -6.371 14.199 -10.234 286 HD2 LYS 40 1HD LYS 40 -5.798 14.285 -12.512 287 HD3 LYS 40 2HD LYS 40 -6.134 15.959 -12.063 288 HE2 LYS 40 1HE LYS 40 -3.339 14.961 -11.842 289 HE3 LYS 40 2HE LYS 40 -3.983 15.301 -13.447 290 HZ1 LYS 40 3HZ LYS 40 -3.433 17.403 -13.060 291 HZ2 LYS 40 1HZ LYS 40 -3.129 17.117 -11.420 292 HZ3 LYS 40 2HZ LYS 40 -4.700 17.468 -11.940 293 H ILE 41 H ILE 41 -4.763 13.287 -7.163 294 HA ILE 41 HA ILE 41 -1.984 12.915 -7.080 295 HB ILE 41 HB ILE 41 -4.022 10.706 -7.324 296 HG12 ILE 41 1HG1 ILE 41 -4.801 12.179 -5.583 297 HG13 ILE 41 2HG1 ILE 41 -4.069 10.772 -4.821 298 HG21 ILE 41 1HG2 ILE 41 -2.104 9.927 -5.535 299 HG22 ILE 41 2HG2 ILE 41 -2.151 9.484 -7.241 300 HG23 ILE 41 3HG2 ILE 41 -1.171 10.852 -6.712 301 HD11 ILE 41 3HD1 ILE 41 -3.418 13.546 -4.537 302 HD12 ILE 41 1HD1 ILE 41 -2.848 12.159 -3.610 303 HD13 ILE 41 2HD1 ILE 41 -2.010 12.639 -5.087 304 H THR 42 H THR 42 -0.537 12.422 -8.592 305 HA THR 42 HA THR 42 -1.521 11.467 -11.202 306 HB THR 42 HB THR 42 0.295 12.609 -12.285 307 HG1 THR 42 1HG THR 42 1.133 13.462 -9.696 308 HG21 THR 42 3HG2 THR 42 -0.644 14.659 -12.211 309 HG22 THR 42 1HG2 THR 42 -0.442 14.801 -10.465 310 HG23 THR 42 2HG2 THR 42 -1.801 13.890 -11.125 311 H ALA 43 H ALA 43 0.116 10.529 -8.497 312 HA ALA 43 HA ALA 43 1.136 8.169 -9.768 313 HB1 ALA 43 3HB ALA 43 3.250 9.692 -8.321 314 HB2 ALA 43 1HB ALA 43 3.405 8.452 -9.566 315 HB3 ALA 43 2HB ALA 43 2.904 10.085 -10.005 316 H TYR 44 H TYR 44 1.278 6.490 -8.359 317 HA TYR 44 HA TYR 44 0.902 7.114 -5.503 318 HB2 TYR 44 1HB TYR 44 -0.371 4.984 -7.210 319 HB3 TYR 44 2HB TYR 44 -0.302 4.841 -5.457 320 HD1 TYR 44 2HD TYR 44 -1.220 6.920 -4.132 321 HD2 TYR 44 1HD TYR 44 -2.198 6.026 -8.175 322 HE1 TYR 44 2HE TYR 44 -3.255 8.287 -3.936 323 HE2 TYR 44 1HE TYR 44 -4.236 7.392 -7.991 324 HH TYR 44 HH TYR 44 -5.691 8.324 -6.414 325 H ILE 45 H ILE 45 2.658 6.601 -4.391 326 HA ILE 45 HA ILE 45 4.383 4.430 -5.335 327 HB ILE 45 HB ILE 45 4.991 6.342 -3.088 328 HG12 ILE 45 1HG1 ILE 45 6.422 7.436 -4.996 329 HG13 ILE 45 2HG1 ILE 45 5.227 6.696 -6.056 330 HG21 ILE 45 1HG2 ILE 45 6.935 4.961 -4.906 331 HG22 ILE 45 2HG2 ILE 45 7.213 5.658 -3.311 332 HG23 ILE 45 3HG2 ILE 45 6.288 4.165 -3.471 333 HD11 ILE 45 3HD1 ILE 45 4.259 8.314 -3.765 334 HD12 ILE 45 1HD1 ILE 45 4.948 9.149 -5.157 335 HD13 ILE 45 2HD1 ILE 45 3.559 8.082 -5.367 336 H LEU 46 H LEU 46 4.385 2.510 -4.377 337 HA LEU 46 HA LEU 46 3.083 2.255 -1.752 338 HB2 LEU 46 1HB LEU 46 1.888 0.869 -3.130 339 HB3 LEU 46 2HB LEU 46 3.286 0.486 -4.134 340 HG LEU 46 HG LEU 46 4.121 -0.870 -2.126 341 HD11 LEU 46 1HD1 LEU 46 2.916 -0.814 -0.269 342 HD12 LEU 46 2HD1 LEU 46 1.590 -1.588 -1.135 343 HD13 LEU 46 3HD1 LEU 46 1.682 0.171 -1.056 344 HD21 LEU 46 3HD2 LEU 46 2.490 -2.756 -2.723 345 HD22 LEU 46 1HD2 LEU 46 3.468 -2.069 -4.020 346 HD23 LEU 46 2HD2 LEU 46 1.776 -1.600 -3.848 347 H PHE 47 H PHE 47 4.012 0.901 -0.158 348 HA PHE 47 HA PHE 47 6.808 0.128 -0.585 349 HB2 PHE 47 1HB PHE 47 5.852 1.624 1.862 350 HB3 PHE 47 2HB PHE 47 7.501 1.110 1.518 351 HD1 PHE 47 1HD PHE 47 4.787 3.146 -0.037 352 HD2 PHE 47 2HD PHE 47 8.955 2.678 0.692 353 HE1 PHE 47 1HE PHE 47 5.219 5.299 -1.147 354 HE2 PHE 47 2HE PHE 47 9.393 4.831 -0.416 355 HZ PHE 47 HZ PHE 47 7.525 6.144 -1.336 356 H TYR 48 H TYR 48 7.186 -1.882 0.067 357 HA TYR 48 HA TYR 48 5.604 -3.002 2.266 358 HB2 TYR 48 1HB TYR 48 5.247 -5.085 1.027 359 HB3 TYR 48 2HB TYR 48 4.521 -3.722 0.182 360 HD1 TYR 48 1HD TYR 48 7.294 -6.144 0.151 361 HD2 TYR 48 2HD TYR 48 5.313 -3.037 -1.976 362 HE1 TYR 48 1HE TYR 48 8.536 -6.753 -1.882 363 HE2 TYR 48 2HE TYR 48 6.548 -3.639 -4.016 364 HH TYR 48 HH TYR 48 9.253 -5.522 -4.039 365 H THR 49 H THR 49 6.644 -4.559 3.491 366 HA THR 49 HA THR 49 9.160 -5.688 2.738 367 HB THR 49 HB THR 49 9.845 -3.364 3.354 368 HG1 THR 49 1HG THR 49 11.481 -4.141 4.885 369 HG21 THR 49 3HG2 THR 49 8.387 -2.699 5.057 370 HG22 THR 49 1HG2 THR 49 9.909 -2.982 5.900 371 HG23 THR 49 2HG2 THR 49 8.625 -4.189 5.970 372 H LEU 50 H LEU 50 10.080 -7.045 4.469 373 HA LEU 50 HA LEU 50 7.930 -8.173 6.096 374 HB2 LEU 50 1HB LEU 50 9.260 -10.139 6.261 375 HB3 LEU 50 2HB LEU 50 9.271 -9.617 4.578 376 HG LEU 50 HG LEU 50 11.526 -8.795 6.345 377 HD11 LEU 50 1HD1 LEU 50 11.937 -11.328 4.941 378 HD12 LEU 50 2HD1 LEU 50 10.823 -11.426 6.304 379 HD13 LEU 50 3HD1 LEU 50 12.460 -10.818 6.547 380 HD21 LEU 50 3HD2 LEU 50 11.775 -7.880 4.252 381 HD22 LEU 50 1HD2 LEU 50 11.021 -9.254 3.442 382 HD23 LEU 50 2HD2 LEU 50 12.666 -9.392 4.065 383 H ASP 51 H ASP 51 10.788 -6.303 6.387 384 HA ASP 51 HA ASP 51 10.721 -6.640 9.315 385 HB2 ASP 51 1HB ASP 51 13.005 -6.324 7.414 386 HB3 ASP 51 2HB ASP 51 13.159 -5.656 9.036 387 H LYS 52 H LYS 52 9.953 -4.934 10.350 388 HA LYS 52 HA LYS 52 9.744 -2.373 9.010 389 HB2 LYS 52 1HB LYS 52 8.423 -1.696 10.955 390 HB3 LYS 52 2HB LYS 52 7.842 -3.222 10.301 391 HG2 LYS 52 1HG LYS 52 9.339 -4.311 12.089 392 HG3 LYS 52 2HG LYS 52 9.346 -2.711 12.836 393 HD2 LYS 52 1HD LYS 52 6.759 -2.872 12.546 394 HD3 LYS 52 2HD LYS 52 7.069 -4.606 12.425 395 HE2 LYS 52 1HE LYS 52 8.291 -4.473 14.588 396 HE3 LYS 52 2HE LYS 52 7.800 -2.785 14.715 397 HZ1 LYS 52 3HZ LYS 52 5.535 -4.362 14.189 398 HZ2 LYS 52 1HZ LYS 52 5.874 -3.427 15.558 399 HZ3 LYS 52 2HZ LYS 52 6.370 -5.043 15.493 400 H ASN 53 H ASN 53 11.749 -3.902 11.367 401 HA ASN 53 HA ASN 53 12.706 -1.872 12.918 402 HB2 ASN 53 1HB ASN 53 13.412 -4.409 12.684 403 HB3 ASN 53 2HB ASN 53 14.709 -3.730 11.705 404 HD21 ASN 53 1HD2 ASN 53 13.074 -3.096 14.792 405 HD22 ASN 53 2HD2 ASN 53 14.518 -2.769 15.683 406 H ILE 54 H ILE 54 13.127 -2.289 9.516 407 HA ILE 54 HA ILE 54 15.290 -0.350 9.361 408 HB ILE 54 HB ILE 54 14.983 -0.704 6.854 409 HG12 ILE 54 1HG1 ILE 54 13.347 -3.064 7.804 410 HG13 ILE 54 2HG1 ILE 54 12.655 -1.614 7.084 411 HG21 ILE 54 1HG2 ILE 54 16.324 -2.650 6.864 412 HG22 ILE 54 2HG2 ILE 54 16.694 -1.792 8.359 413 HG23 ILE 54 3HG2 ILE 54 15.638 -3.204 8.391 414 HD11 ILE 54 3HD1 ILE 54 13.277 -3.831 5.705 415 HD12 ILE 54 1HD1 ILE 54 13.244 -2.214 5.003 416 HD13 ILE 54 2HD1 ILE 54 14.775 -2.919 5.522 417 HA PRO 55 HA PRO 55 12.827 3.196 8.565 418 HB2 PRO 55 1HB PRO 55 14.380 4.538 6.788 419 HB3 PRO 55 2HB PRO 55 14.784 4.398 8.503 420 HG2 PRO 55 1HG PRO 55 15.827 2.829 6.177 421 HG3 PRO 55 2HG PRO 55 16.711 3.503 7.558 422 HD2 PRO 55 1HD PRO 55 16.013 0.891 7.411 423 HD3 PRO 55 2HD PRO 55 16.111 1.768 8.951 424 H ILE 56 H ILE 56 11.161 3.750 7.276 425 HA ILE 56 HA ILE 56 10.108 2.262 5.309 426 HB ILE 56 HB ILE 56 9.015 4.263 6.272 427 HG12 ILE 56 1HG1 ILE 56 7.876 4.982 4.157 428 HG13 ILE 56 2HG1 ILE 56 9.090 4.082 3.254 429 HG21 ILE 56 1HG2 ILE 56 10.257 6.007 4.218 430 HG22 ILE 56 2HG2 ILE 56 9.610 6.412 5.807 431 HG23 ILE 56 3HG2 ILE 56 11.192 5.647 5.669 432 HD11 ILE 56 3HD1 ILE 56 8.045 2.314 5.168 433 HD12 ILE 56 1HD1 ILE 56 6.673 3.155 4.447 434 HD13 ILE 56 2HD1 ILE 56 7.815 2.289 3.420 435 H ASP 57 H ASP 57 12.824 4.400 4.968 436 HA ASP 57 HA ASP 57 12.825 4.592 2.140 437 HB2 ASP 57 1HB ASP 57 14.863 5.067 4.287 438 HB3 ASP 57 2HB ASP 57 15.360 5.062 2.597 439 H ASP 58 H ASP 58 14.512 2.443 4.405 440 HA ASP 58 HA ASP 58 15.965 1.001 2.476 441 HB2 ASP 58 1HB ASP 58 15.203 0.578 5.320 442 HB3 ASP 58 2HB ASP 58 15.741 -0.831 4.411 443 H TRP 59 H TRP 59 12.656 0.875 3.442 444 HA TRP 59 HA TRP 59 11.976 -1.743 2.766 445 HB2 TRP 59 1HB TRP 59 10.330 0.783 2.516 446 HB3 TRP 59 2HB TRP 59 9.681 -0.851 2.414 447 HD1 TRP 59 HD TRP 59 12.343 -0.114 5.032 448 HE1 TRP 59 1HE TRP 59 11.269 -0.223 7.368 449 HE3 TRP 59 3HE TRP 59 7.434 -0.482 3.652 450 HZ2 TRP 59 2HZ TRP 59 8.683 -0.437 8.479 451 HZ3 TRP 59 3HZ TRP 59 5.723 -0.635 5.413 452 HH2 TRP 59 HH TRP 59 6.336 -0.613 7.776 453 H ILE 60 H ILE 60 10.203 -1.945 0.830 454 HA ILE 60 HA ILE 60 11.759 -1.383 -1.594 455 HB ILE 60 HB ILE 60 9.535 -3.375 -1.140 456 HG12 ILE 60 1HG1 ILE 60 11.610 -4.907 -1.742 457 HG13 ILE 60 2HG1 ILE 60 12.519 -3.534 -1.121 458 HG21 ILE 60 1HG2 ILE 60 10.406 -2.213 -3.537 459 HG22 ILE 60 2HG2 ILE 60 11.103 -3.832 -3.498 460 HG23 ILE 60 3HG2 ILE 60 9.359 -3.618 -3.340 461 HD11 ILE 60 3HD1 ILE 60 10.907 -3.748 0.911 462 HD12 ILE 60 1HD1 ILE 60 10.675 -5.387 0.303 463 HD13 ILE 60 2HD1 ILE 60 12.289 -4.832 0.752 464 H MET 61 H MET 61 11.144 0.582 -2.328 465 HA MET 61 HA MET 61 8.382 1.415 -2.293 466 HB2 MET 61 1HB MET 61 10.206 3.032 -1.936 467 HB3 MET 61 2HB MET 61 10.797 2.719 -3.562 468 HG2 MET 61 1HG MET 61 8.196 3.379 -4.031 469 HG3 MET 61 2HG MET 61 8.593 4.402 -2.652 470 HE1 MET 61 3HE MET 61 9.504 3.330 -6.247 471 HE2 MET 61 1HE MET 61 10.775 4.462 -6.712 472 HE3 MET 61 2HE MET 61 11.108 3.201 -5.525 473 H GLU 62 H GLU 62 7.045 1.733 -4.069 474 HA GLU 62 HA GLU 62 7.978 0.793 -6.676 475 HB2 GLU 62 1HB GLU 62 5.901 -0.500 -4.988 476 HB3 GLU 62 2HB GLU 62 5.570 -0.376 -6.710 477 HG2 GLU 62 1HG GLU 62 6.583 -2.505 -6.198 478 HG3 GLU 62 2HG GLU 62 7.667 -1.537 -7.195 479 H THR 63 H THR 63 7.192 1.959 -8.325 480 HA THR 63 HA THR 63 5.387 4.151 -7.707 481 HB THR 63 HB THR 63 6.601 3.591 -10.406 482 HG1 THR 63 1HG THR 63 8.432 4.668 -9.740 483 HG21 THR 63 3HG2 THR 63 5.750 5.576 -10.962 484 HG22 THR 63 1HG2 THR 63 6.480 6.342 -9.552 485 HG23 THR 63 2HG2 THR 63 4.894 5.581 -9.420 486 H ILE 64 H ILE 64 3.372 4.456 -8.565 487 HA ILE 64 HA ILE 64 2.316 2.395 -10.368 488 HB ILE 64 HB ILE 64 0.749 3.396 -7.996 489 HG12 ILE 64 1HG1 ILE 64 1.825 0.614 -8.108 490 HG13 ILE 64 2HG1 ILE 64 2.915 1.906 -7.616 491 HG21 ILE 64 1HG2 ILE 64 -0.728 1.531 -8.515 492 HG22 ILE 64 2HG2 ILE 64 -0.553 2.598 -9.908 493 HG23 ILE 64 3HG2 ILE 64 0.315 1.064 -9.858 494 HD11 ILE 64 3HD1 ILE 64 1.412 0.529 -5.903 495 HD12 ILE 64 1HD1 ILE 64 1.875 2.210 -5.639 496 HD13 ILE 64 2HD1 ILE 64 0.282 1.825 -6.290 497 H SER 65 H SER 65 0.699 3.070 -11.762 498 HA SER 65 HA SER 65 0.728 5.759 -12.552 499 HB2 SER 65 1HB SER 65 0.150 4.216 -14.229 500 HB3 SER 65 2HB SER 65 -1.068 3.437 -13.220 501 HG SER 65 HG SER 65 -1.352 5.490 -14.926 502 H GLY 66 H GLY 66 -0.468 7.494 -12.025 503 HA2 GLY 66 1HA GLY 66 -1.933 7.589 -9.649 504 HA3 GLY 66 2HA GLY 66 -1.978 8.814 -10.909 505 H ASP 67 H ASP 67 -2.929 6.655 -12.821 506 HA ASP 67 HA ASP 67 -5.717 7.155 -12.479 507 HB2 ASP 67 1HB ASP 67 -4.354 5.236 -14.380 508 HB3 ASP 67 2HB ASP 67 -6.007 5.831 -14.506 509 H ARG 68 H ARG 68 -3.608 4.383 -11.951 510 HA ARG 68 HA ARG 68 -5.827 2.673 -11.210 511 HB2 ARG 68 1HB ARG 68 -2.861 2.139 -10.983 512 HB3 ARG 68 2HB ARG 68 -4.153 0.951 -10.884 513 HG2 ARG 68 1HG ARG 68 -4.704 1.279 -13.200 514 HG3 ARG 68 2HG ARG 68 -3.544 2.603 -13.325 515 HD2 ARG 68 1HD ARG 68 -1.796 0.870 -12.591 516 HD3 ARG 68 2HD ARG 68 -3.021 -0.333 -12.993 517 HE ARG 68 HE ARG 68 -2.935 1.131 -15.232 518 HH11 ARG 68 1HH1 ARG 68 -0.414 -0.271 -13.284 519 HH12 ARG 68 2HH1 ARG 68 0.670 -0.497 -14.617 520 HH21 ARG 68 1HH2 ARG 68 -1.518 0.839 -16.995 521 HH22 ARG 68 2HH2 ARG 68 0.041 0.136 -16.728 522 H LEU 69 H LEU 69 -6.149 1.780 -9.142 523 HA LEU 69 HA LEU 69 -4.895 3.296 -6.947 524 HB2 LEU 69 1HB LEU 69 -7.718 2.267 -7.171 525 HB3 LEU 69 2HB LEU 69 -7.021 2.952 -5.704 526 HG LEU 69 HG LEU 69 -7.137 4.541 -8.245 527 HD11 LEU 69 1HD1 LEU 69 -9.384 3.593 -6.740 528 HD12 LEU 69 2HD1 LEU 69 -9.351 4.607 -8.182 529 HD13 LEU 69 3HD1 LEU 69 -9.248 5.345 -6.584 530 HD21 LEU 69 3HD2 LEU 69 -5.822 5.664 -6.724 531 HD22 LEU 69 1HD2 LEU 69 -6.739 5.079 -5.335 532 HD23 LEU 69 2HD2 LEU 69 -7.415 6.336 -6.372 533 H THR 70 H THR 70 -4.373 0.593 -8.274 534 HA THR 70 HA THR 70 -4.120 -0.886 -5.760 535 HB THR 70 HB THR 70 -5.009 -2.903 -6.576 536 HG1 THR 70 1HG THR 70 -5.216 -1.719 -9.162 537 HG21 THR 70 3HG2 THR 70 -7.275 -2.408 -7.052 538 HG22 THR 70 1HG2 THR 70 -6.858 -0.875 -7.818 539 HG23 THR 70 2HG2 THR 70 -6.687 -1.064 -6.072 540 H HIS 71 H HIS 71 -2.586 -2.713 -5.938 541 HA HIS 71 HA HIS 71 -0.726 -2.570 -8.179 542 HB2 HIS 71 1HB HIS 71 0.214 -0.948 -6.657 543 HB3 HIS 71 2HB HIS 71 0.073 -2.069 -5.306 544 HD1 HIS 71 1HD HIS 71 2.029 -1.587 -8.505 545 HD2 HIS 71 2HD HIS 71 2.219 -3.738 -4.955 546 HE1 HIS 71 1HE HIS 71 4.300 -2.667 -8.494 547 HE2 HIS 71 2HE HIS 71 4.359 -4.031 -6.378 548 H GLN 72 H GLN 72 -0.066 -4.538 -8.754 549 HA GLN 72 HA GLN 72 -0.594 -6.761 -6.914 550 HB2 GLN 72 1HB GLN 72 -1.633 -6.742 -9.211 551 HB3 GLN 72 2HB GLN 72 -0.012 -6.917 -9.872 552 HG2 GLN 72 1HG GLN 72 0.195 -9.009 -8.477 553 HG3 GLN 72 2HG GLN 72 -1.535 -8.863 -8.168 554 HE21 GLN 72 1HE2 GLN 72 0.900 -9.730 -10.427 555 HE22 GLN 72 2HE2 GLN 72 -0.148 -10.301 -11.675 556 H ILE 73 H ILE 73 1.045 -7.709 -5.914 557 HA ILE 73 HA ILE 73 3.763 -7.275 -6.940 558 HB ILE 73 HB ILE 73 2.916 -8.182 -4.186 559 HG12 ILE 73 1HG1 ILE 73 4.062 -5.493 -4.920 560 HG13 ILE 73 2HG1 ILE 73 2.326 -5.789 -4.918 561 HG21 ILE 73 1HG2 ILE 73 5.285 -7.591 -3.620 562 HG22 ILE 73 2HG2 ILE 73 5.101 -8.997 -4.666 563 HG23 ILE 73 3HG2 ILE 73 5.594 -7.448 -5.350 564 HD11 ILE 73 3HD1 ILE 73 3.869 -4.973 -2.780 565 HD12 ILE 73 1HD1 ILE 73 2.215 -5.581 -2.715 566 HD13 ILE 73 2HD1 ILE 73 3.570 -6.682 -2.467 567 H MET 74 H MET 74 5.245 -8.996 -7.067 568 HA MET 74 HA MET 74 4.108 -11.698 -6.877 569 HB2 MET 74 1HB MET 74 5.716 -10.630 -9.205 570 HB3 MET 74 2HB MET 74 5.228 -12.306 -8.996 571 HG2 MET 74 1HG MET 74 2.834 -11.387 -8.921 572 HG3 MET 74 2HG MET 74 3.532 -9.918 -9.600 573 HE1 MET 74 3HE MET 74 4.888 -9.756 -11.463 574 HE2 MET 74 1HE MET 74 5.116 -10.906 -12.781 575 HE3 MET 74 2HE MET 74 3.656 -9.919 -12.714 576 H ASP 75 H ASP 75 5.691 -13.392 -6.663 577 HA ASP 75 HA ASP 75 7.595 -14.343 -5.850 578 HB2 ASP 75 1HB ASP 75 8.625 -12.808 -7.649 579 HB3 ASP 75 2HB ASP 75 9.060 -11.754 -6.307 580 H LEU 76 H LEU 76 5.879 -13.491 -3.990 581 HA LEU 76 HA LEU 76 7.445 -11.998 -2.005 582 HB2 LEU 76 1HB LEU 76 4.538 -12.477 -2.432 583 HB3 LEU 76 2HB LEU 76 5.112 -12.187 -0.791 584 HG LEU 76 HG LEU 76 5.336 -10.315 -3.145 585 HD11 LEU 76 1HD1 LEU 76 4.019 -8.895 -1.394 586 HD12 LEU 76 2HD1 LEU 76 3.587 -10.472 -0.736 587 HD13 LEU 76 3HD1 LEU 76 3.176 -10.071 -2.403 588 HD21 LEU 76 3HD2 LEU 76 6.198 -8.739 -1.341 589 HD22 LEU 76 1HD2 LEU 76 7.312 -9.976 -1.923 590 HD23 LEU 76 2HD2 LEU 76 6.493 -10.186 -0.375 591 H ASN 77 H ASN 77 8.135 -12.913 -0.151 592 HA ASN 77 HA ASN 77 8.583 -15.587 0.125 593 HB2 ASN 77 1HB ASN 77 8.242 -13.451 2.225 594 HB3 ASN 77 2HB ASN 77 8.698 -15.100 2.642 595 HD21 ASN 77 1HD2 ASN 77 10.468 -13.440 3.432 596 HD22 ASN 77 2HD2 ASN 77 11.839 -13.334 2.386 597 H LEU 78 H LEU 78 7.635 -17.291 1.301 598 HA LEU 78 HA LEU 78 4.720 -17.087 1.490 599 HB2 LEU 78 1HB LEU 78 6.493 -19.525 1.523 600 HB3 LEU 78 2HB LEU 78 4.731 -19.524 1.485 601 HG LEU 78 HG LEU 78 6.480 -18.422 -0.712 602 HD11 LEU 78 1HD1 LEU 78 5.140 -21.104 -0.424 603 HD12 LEU 78 2HD1 LEU 78 6.864 -20.778 -0.595 604 HD13 LEU 78 3HD1 LEU 78 5.771 -20.468 -1.944 605 HD21 LEU 78 3HD2 LEU 78 4.600 -17.576 -1.528 606 HD22 LEU 78 1HD2 LEU 78 3.707 -18.176 -0.131 607 HD23 LEU 78 2HD2 LEU 78 3.888 -19.190 -1.563 608 H ASP 79 H ASP 79 3.579 -17.792 3.317 609 HA ASP 79 HA ASP 79 3.177 -17.760 5.566 610 HB2 ASP 79 1HB ASP 79 4.289 -19.502 6.815 611 HB3 ASP 79 2HB ASP 79 3.993 -20.085 5.179 612 H THR 80 H THR 80 4.661 -15.543 4.724 613 HA THR 80 HA THR 80 6.222 -15.002 7.155 614 HB THR 80 HB THR 80 7.019 -14.010 4.414 615 HG1 THR 80 1HG THR 80 7.303 -16.363 4.902 616 HG21 THR 80 3HG2 THR 80 7.617 -12.973 6.879 617 HG22 THR 80 1HG2 THR 80 8.598 -12.774 5.428 618 HG23 THR 80 2HG2 THR 80 8.983 -14.050 6.584 619 H MET 81 H MET 81 5.663 -13.177 8.169 620 HA MET 81 HA MET 81 3.440 -11.663 7.367 621 HB2 MET 81 1HB MET 81 4.638 -11.976 9.708 622 HB3 MET 81 2HB MET 81 5.450 -10.489 9.235 623 HG2 MET 81 1HG MET 81 3.687 -9.601 10.340 624 HG3 MET 81 2HG MET 81 2.974 -9.722 8.734 625 HE1 MET 81 3HE MET 81 0.990 -10.055 8.519 626 HE2 MET 81 1HE MET 81 0.399 -11.716 8.563 627 HE3 MET 81 2HE MET 81 -0.155 -10.552 9.767 628 H TYR 82 H TYR 82 3.210 -9.803 6.249 629 HA TYR 82 HA TYR 82 5.633 -8.365 5.418 630 HB2 TYR 82 1HB TYR 82 3.591 -9.664 3.695 631 HB3 TYR 82 2HB TYR 82 4.177 -8.085 3.184 632 HD1 TYR 82 1HD TYR 82 6.930 -7.975 3.599 633 HD2 TYR 82 2HD TYR 82 4.618 -11.403 2.598 634 HE1 TYR 82 1HE TYR 82 8.926 -9.028 2.622 635 HE2 TYR 82 2HE TYR 82 6.608 -12.467 1.619 636 HH TYR 82 HH TYR 82 9.480 -11.879 2.198 637 H TYR 83 H TYR 83 5.488 -6.238 5.702 638 HA TYR 83 HA TYR 83 2.944 -5.102 6.529 639 HB2 TYR 83 1HB TYR 83 5.653 -3.767 6.386 640 HB3 TYR 83 2HB TYR 83 4.230 -3.178 7.237 641 HD1 TYR 83 1HD TYR 83 3.318 -5.692 8.545 642 HD2 TYR 83 2HD TYR 83 7.218 -4.049 8.104 643 HE1 TYR 83 1HE TYR 83 4.040 -6.874 10.577 644 HE2 TYR 83 2HE TYR 83 7.951 -5.229 10.134 645 HH TYR 83 HH TYR 83 5.703 -7.262 11.990 646 H PHE 84 H PHE 84 1.890 -3.420 5.513 647 HA PHE 84 HA PHE 84 2.830 -2.773 2.796 648 HB2 PHE 84 1HB PHE 84 0.030 -3.267 3.805 649 HB3 PHE 84 2HB PHE 84 0.355 -2.464 2.273 650 HD1 PHE 84 1HD PHE 84 1.453 -3.694 0.441 651 HD2 PHE 84 2HD PHE 84 0.268 -5.616 4.049 652 HE1 PHE 84 1HE PHE 84 1.637 -5.883 -0.668 653 HE2 PHE 84 2HE PHE 84 0.451 -7.807 2.946 654 HZ PHE 84 HZ PHE 84 1.137 -7.943 0.585 655 H ARG 85 H ARG 85 2.993 -0.676 2.264 656 HA ARG 85 HA ARG 85 1.561 1.350 3.778 657 HB2 ARG 85 1HB ARG 85 4.525 0.964 3.877 658 HB3 ARG 85 2HB ARG 85 3.875 2.598 3.926 659 HG2 ARG 85 1HG ARG 85 2.507 1.950 5.882 660 HG3 ARG 85 2HG ARG 85 3.284 0.366 5.857 661 HD2 ARG 85 1HD ARG 85 5.276 1.179 6.617 662 HD3 ARG 85 2HD ARG 85 5.034 2.763 5.882 663 HE ARG 85 HE ARG 85 3.183 2.785 7.803 664 HH11 ARG 85 1HH1 ARG 85 6.537 1.856 7.868 665 HH12 ARG 85 2HH1 ARG 85 6.765 2.308 9.525 666 HH21 ARG 85 1HH2 ARG 85 3.471 3.384 9.985 667 HH22 ARG 85 2HH2 ARG 85 5.020 3.177 10.728 668 H ILE 86 H ILE 86 0.593 2.398 2.164 669 HA ILE 86 HA ILE 86 2.218 3.149 -0.179 670 HB ILE 86 HB ILE 86 0.305 1.546 -0.608 671 HG12 ILE 86 1HG1 ILE 86 0.306 4.240 -1.984 672 HG13 ILE 86 2HG1 ILE 86 1.292 2.845 -2.409 673 HG21 ILE 86 1HG2 ILE 86 -1.112 3.415 0.913 674 HG22 ILE 86 2HG2 ILE 86 -1.720 3.582 -0.733 675 HG23 ILE 86 3HG2 ILE 86 -1.759 2.011 0.066 676 HD11 ILE 86 3HD1 ILE 86 -0.441 2.896 -3.978 677 HD12 ILE 86 1HD1 ILE 86 -0.889 1.628 -2.839 678 HD13 ILE 86 2HD1 ILE 86 -1.662 3.210 -2.746 679 H GLN 87 H GLN 87 1.747 5.202 -1.159 680 HA GLN 87 HA GLN 87 0.298 7.103 0.540 681 HB2 GLN 87 1HB GLN 87 2.119 8.752 0.276 682 HB3 GLN 87 2HB GLN 87 2.625 7.330 1.179 683 HG2 GLN 87 1HG GLN 87 3.558 6.451 -1.006 684 HG3 GLN 87 2HG GLN 87 3.301 8.073 -1.647 685 HE21 GLN 87 1HE2 GLN 87 4.018 9.678 0.387 686 HE22 GLN 87 2HE2 GLN 87 5.686 9.459 0.780 687 H ALA 88 H ALA 88 0.563 9.395 -0.757 688 HA ALA 88 HA ALA 88 -0.131 8.840 -3.564 689 HB1 ALA 88 3HB ALA 88 -2.084 10.020 -3.480 690 HB2 ALA 88 1HB ALA 88 -2.055 9.374 -1.839 691 HB3 ALA 88 2HB ALA 88 -1.544 11.035 -2.143 692 H ARG 89 H ARG 89 0.638 10.255 -5.060 693 HA ARG 89 HA ARG 89 2.006 12.671 -4.097 694 HB2 ARG 89 1HB ARG 89 3.779 11.106 -4.409 695 HB3 ARG 89 2HB ARG 89 3.115 10.560 -5.943 696 HG2 ARG 89 1HG ARG 89 3.535 12.885 -6.820 697 HG3 ARG 89 2HG ARG 89 4.443 13.185 -5.336 698 HD2 ARG 89 1HD ARG 89 6.155 12.480 -6.657 699 HD3 ARG 89 2HD ARG 89 5.616 10.914 -6.054 700 HE ARG 89 HE ARG 89 5.007 10.365 -8.182 701 HH11 ARG 89 1HH1 ARG 89 5.262 13.830 -7.954 702 HH12 ARG 89 2HH1 ARG 89 5.004 14.091 -9.647 703 HH21 ARG 89 1HH2 ARG 89 4.666 10.696 -10.413 704 HH22 ARG 89 2HH2 ARG 89 4.664 12.307 -11.045 705 H ASN 90 H ASN 90 1.731 14.453 -5.331 706 HA ASN 90 HA ASN 90 0.271 14.114 -7.869 707 HB2 ASN 90 1HB ASN 90 -0.601 16.476 -7.338 708 HB3 ASN 90 2HB ASN 90 -1.270 15.133 -6.415 709 HD21 ASN 90 1HD2 ASN 90 -1.846 16.365 -4.668 710 HD22 ASN 90 2HD2 ASN 90 -0.693 17.077 -3.595 711 H SER 91 H SER 91 0.498 16.106 -9.310 712 HA SER 91 HA SER 91 3.019 16.371 -10.278 713 HB2 SER 91 1HB SER 91 0.988 18.615 -10.263 714 HB3 SER 91 2HB SER 91 2.298 18.386 -11.422 715 HG SER 91 HG SER 91 0.820 17.343 -12.498 716 H LYS 92 H LYS 92 1.654 18.024 -7.531 717 HA LYS 92 HA LYS 92 3.701 20.000 -7.295 718 HB2 LYS 92 1HB LYS 92 1.948 18.999 -5.056 719 HB3 LYS 92 2HB LYS 92 2.687 20.586 -5.227 720 HG2 LYS 92 1HG LYS 92 0.729 19.667 -7.275 721 HG3 LYS 92 2HG LYS 92 0.147 20.240 -5.710 722 HD2 LYS 92 1HD LYS 92 1.632 22.288 -6.121 723 HD3 LYS 92 2HD LYS 92 1.711 21.735 -7.795 724 HE2 LYS 92 1HE LYS 92 -0.071 23.224 -7.817 725 HE3 LYS 92 2HE LYS 92 -0.864 21.657 -7.654 726 HZ1 LYS 92 3HZ LYS 92 -0.456 23.735 -5.595 727 HZ2 LYS 92 1HZ LYS 92 -0.769 22.128 -5.165 728 HZ3 LYS 92 2HZ LYS 92 -1.897 22.994 -6.080 729 H GLY 93 H GLY 93 2.942 17.251 -5.141 730 HA2 GLY 93 1HA GLY 93 5.687 16.401 -5.076 731 HA3 GLY 93 2HA GLY 93 5.201 17.234 -3.608 732 H VAL 94 H VAL 94 5.630 15.245 -2.487 733 HA VAL 94 HA VAL 94 3.404 13.330 -2.734 734 HB VAL 94 HB VAL 94 5.478 12.309 -3.573 735 HG11 VAL 94 1HG1 VAL 94 6.756 12.121 -0.947 736 HG12 VAL 94 2HG1 VAL 94 7.463 12.418 -2.536 737 HG13 VAL 94 3HG1 VAL 94 6.740 13.747 -1.628 738 HG21 VAL 94 3HG2 VAL 94 5.250 10.815 -1.084 739 HG22 VAL 94 1HG2 VAL 94 3.686 11.246 -1.776 740 HG23 VAL 94 2HG2 VAL 94 4.852 10.334 -2.734 741 H GLY 95 H GLY 95 2.472 12.622 -0.853 742 HA2 GLY 95 1HA GLY 95 3.244 14.103 1.560 743 HA3 GLY 95 2HA GLY 95 1.691 13.330 1.279 744 HA PRO 96 HA PRO 96 4.162 10.640 4.136 745 HB2 PRO 96 1HB PRO 96 2.131 10.237 5.892 746 HB3 PRO 96 2HB PRO 96 3.226 11.621 5.991 747 HG2 PRO 96 1HG PRO 96 0.466 11.467 4.842 748 HG3 PRO 96 2HG PRO 96 1.184 12.727 5.862 749 HD2 PRO 96 1HD PRO 96 0.942 12.988 3.178 750 HD3 PRO 96 2HD PRO 96 2.282 13.712 4.091 751 H LEU 97 H LEU 97 3.087 8.501 5.222 752 HA LEU 97 HA LEU 97 1.670 7.132 3.030 753 HB2 LEU 97 1HB LEU 97 3.532 5.816 4.989 754 HB3 LEU 97 2HB LEU 97 2.875 5.145 3.498 755 HG LEU 97 HG LEU 97 4.245 7.177 2.451 756 HD11 LEU 97 1HD1 LEU 97 6.442 7.276 3.677 757 HD12 LEU 97 2HD1 LEU 97 5.614 6.553 5.055 758 HD13 LEU 97 3HD1 LEU 97 5.099 8.125 4.444 759 HD21 LEU 97 3HD2 LEU 97 5.354 5.494 1.514 760 HD22 LEU 97 1HD2 LEU 97 4.520 4.414 2.631 761 HD23 LEU 97 2HD2 LEU 97 6.110 5.054 3.046 762 H SER 98 H SER 98 0.734 4.940 3.958 763 HA SER 98 HA SER 98 -1.028 5.733 6.150 764 HB2 SER 98 1HB SER 98 -1.719 4.664 3.826 765 HB3 SER 98 2HB SER 98 -1.370 3.157 4.673 766 HG SER 98 HG SER 98 -3.599 4.333 4.769 767 H ASP 99 H ASP 99 -1.717 3.859 7.623 768 HA ASP 99 HA ASP 99 0.535 3.027 9.105 769 HB2 ASP 99 1HB ASP 99 -1.007 1.953 10.574 770 HB3 ASP 99 2HB ASP 99 -1.800 3.417 9.996 771 HA PRO 100 HA PRO 100 1.714 -0.722 7.137 772 HB2 PRO 100 1HB PRO 100 2.815 -2.024 9.250 773 HB3 PRO 100 2HB PRO 100 3.596 -0.653 8.453 774 HG2 PRO 100 1HG PRO 100 1.992 -0.713 10.980 775 HG3 PRO 100 2HG PRO 100 3.506 0.144 10.636 776 HD2 PRO 100 1HD PRO 100 1.095 1.376 10.604 777 HD3 PRO 100 2HD PRO 100 2.430 1.863 9.540 778 H ILE 101 H ILE 101 0.344 -2.257 6.505 779 HA ILE 101 HA ILE 101 -1.575 -3.375 8.394 780 HB ILE 101 HB ILE 101 -1.319 -3.734 5.406 781 HG12 ILE 101 1HG1 ILE 101 -3.220 -2.116 7.113 782 HG13 ILE 101 2HG1 ILE 101 -2.018 -1.490 5.989 783 HG21 ILE 101 1HG2 ILE 101 -2.492 -5.608 5.793 784 HG22 ILE 101 2HG2 ILE 101 -2.935 -5.112 7.426 785 HG23 ILE 101 3HG2 ILE 101 -3.846 -4.506 6.043 786 HD11 ILE 101 3HD1 ILE 101 -3.914 -1.295 4.740 787 HD12 ILE 101 1HD1 ILE 101 -3.378 -2.902 4.250 788 HD13 ILE 101 2HD1 ILE 101 -4.662 -2.727 5.447 789 H LEU 102 H LEU 102 -1.627 -5.473 9.047 790 HA LEU 102 HA LEU 102 0.747 -7.076 8.445 791 HB2 LEU 102 1HB LEU 102 -1.172 -6.915 10.700 792 HB3 LEU 102 2HB LEU 102 -0.441 -8.484 10.368 793 HG LEU 102 HG LEU 102 1.782 -7.020 10.433 794 HD11 LEU 102 1HD1 LEU 102 1.400 -5.469 12.482 795 HD12 LEU 102 2HD1 LEU 102 -0.271 -5.441 11.920 796 HD13 LEU 102 3HD1 LEU 102 1.024 -4.884 10.861 797 HD21 LEU 102 3HD2 LEU 102 1.981 -7.650 12.821 798 HD22 LEU 102 1HD2 LEU 102 1.402 -8.965 11.798 799 HD23 LEU 102 2HD2 LEU 102 0.269 -8.077 12.817 800 H PHE 103 H PHE 103 0.515 -8.402 6.768 801 HA PHE 103 HA PHE 103 -1.856 -10.125 6.682 802 HB2 PHE 103 1HB PHE 103 -2.384 -8.485 5.040 803 HB3 PHE 103 2HB PHE 103 -0.745 -8.499 4.397 804 HD1 PHE 103 2HD PHE 103 0.009 -10.299 2.950 805 HD2 PHE 103 1HD PHE 103 -3.976 -10.185 4.442 806 HE1 PHE 103 2HE PHE 103 -0.661 -11.973 1.278 807 HE2 PHE 103 1HE PHE 103 -4.652 -11.860 2.772 808 HZ PHE 103 HZ PHE 103 -2.995 -12.756 1.186 809 H ARG 104 H ARG 104 -1.171 -12.146 6.839 810 HA ARG 104 HA ARG 104 1.537 -12.855 6.093 811 HB2 ARG 104 1HB ARG 104 0.153 -13.665 8.164 812 HB3 ARG 104 2HB ARG 104 -0.505 -14.836 7.029 813 HG2 ARG 104 1HG ARG 104 1.456 -15.979 6.852 814 HG3 ARG 104 2HG ARG 104 2.444 -14.552 7.171 815 HD2 ARG 104 1HD ARG 104 2.286 -14.779 9.438 816 HD3 ARG 104 2HD ARG 104 0.704 -15.554 9.358 817 HE ARG 104 HE ARG 104 2.618 -17.271 8.236 818 HH11 ARG 104 1HH1 ARG 104 1.689 -15.945 11.318 819 HH12 ARG 104 2HH1 ARG 104 2.278 -17.299 12.224 820 HH21 ARG 104 1HH2 ARG 104 3.398 -19.059 9.418 821 HH22 ARG 104 2HH2 ARG 104 3.250 -19.069 11.143 822 H THR 105 H THR 105 2.123 -13.766 4.237 823 HA THR 105 HA THR 105 0.332 -14.115 2.097 824 HB THR 105 HB THR 105 2.243 -15.250 0.948 825 HG1 THR 105 1HG THR 105 4.274 -14.892 2.372 826 HG21 THR 105 3HG2 THR 105 3.129 -12.733 2.345 827 HG22 THR 105 1HG2 THR 105 1.917 -12.742 1.065 828 HG23 THR 105 2HG2 THR 105 3.560 -13.287 0.727 829 H LEU 106 H LEU 106 0.143 -16.194 0.838 830 HA LEU 106 HA LEU 106 -1.115 -18.154 2.438 831 HB2 LEU 106 1HB LEU 106 -0.483 -17.811 -0.432 832 HB3 LEU 106 2HB LEU 106 -0.797 -19.455 0.120 833 HG LEU 106 HG LEU 106 -2.689 -17.119 0.385 834 HD11 LEU 106 1HD1 LEU 106 -2.278 -19.179 -1.681 835 HD12 LEU 106 2HD1 LEU 106 -2.989 -17.570 -1.802 836 HD13 LEU 106 3HD1 LEU 106 -3.947 -18.912 -1.178 837 HD21 LEU 106 3HD2 LEU 106 -3.754 -18.336 1.902 838 HD22 LEU 106 1HD2 LEU 106 -2.557 -19.623 1.752 839 HD23 LEU 106 2HD2 LEU 106 -3.974 -19.611 0.702 840 H LYS 107 H LYS 107 -0.544 -20.563 2.093 841 HA LYS 107 HA LYS 107 2.364 -20.959 2.281 842 HB2 LYS 107 1HB LYS 107 0.343 -22.281 4.099 843 HB3 LYS 107 2HB LYS 107 2.093 -22.447 4.169 844 HG2 LYS 107 1HG LYS 107 1.735 -20.945 5.853 845 HG3 LYS 107 2HG LYS 107 2.023 -19.851 4.498 846 HD2 LYS 107 1HD LYS 107 -0.335 -19.504 4.204 847 HD3 LYS 107 2HD LYS 107 -0.713 -20.743 5.402 848 HE2 LYS 107 1HE LYS 107 0.903 -18.302 6.079 849 HE3 LYS 107 2HE LYS 107 -0.859 -18.305 6.144 850 HZ1 LYS 107 3HZ LYS 107 0.790 -20.290 7.597 851 HZ2 LYS 107 1HZ LYS 107 -0.848 -19.931 7.822 852 HZ3 LYS 107 2HZ LYS 107 0.334 -18.813 8.283 853 H VAL 108 H VAL 108 2.757 -22.083 0.469 854 HA VAL 108 HA VAL 108 0.907 -24.021 -0.575 855 HB VAL 108 HB VAL 108 2.510 -24.387 -2.338 856 HG11 VAL 108 1HG1 VAL 108 3.050 -21.745 -2.694 857 HG12 VAL 108 2HG1 VAL 108 1.505 -22.514 -3.063 858 HG13 VAL 108 3HG1 VAL 108 1.731 -21.679 -1.526 859 HG21 VAL 108 3HG2 VAL 108 4.639 -22.727 -1.988 860 HG22 VAL 108 1HG2 VAL 108 4.386 -23.328 -0.349 861 HG23 VAL 108 2HG2 VAL 108 4.654 -24.463 -1.672 862 H SER 109 H SER 109 1.401 -24.846 1.930 863 HA SER 109 HA SER 109 3.592 -26.591 2.258 864 HB2 SER 109 1HB SER 109 0.882 -26.645 3.608 865 HB3 SER 109 2HB SER 109 2.313 -27.516 4.158 866 HG SER 109 HG SER 109 3.154 -25.705 4.890 867 H GLY 110 H GLY 110 0.307 -27.088 1.056 868 HA2 GLY 110 1HA GLY 110 1.119 -29.386 -0.446 869 HA3 GLY 110 2HA GLY 110 0.151 -29.828 0.953 870 HA PRO 111 HA PRO 111 -2.388 -28.152 -2.790 871 HB2 PRO 111 1HB PRO 111 -2.752 -30.409 -4.253 872 HB3 PRO 111 2HB PRO 111 -1.426 -29.278 -4.546 873 HG2 PRO 111 1HG PRO 111 -1.409 -31.869 -3.047 874 HG3 PRO 111 2HG PRO 111 -0.219 -31.235 -4.200 875 HD2 PRO 111 1HD PRO 111 0.143 -31.115 -1.519 876 HD3 PRO 111 2HD PRO 111 0.770 -29.875 -2.624 877 H SER 112 H SER 112 -4.559 -28.190 -2.573 878 HA SER 112 HA SER 112 -5.765 -30.479 -1.164 879 HB2 SER 112 1HB SER 112 -7.272 -28.895 -0.013 880 HB3 SER 112 2HB SER 112 -5.580 -28.588 0.380 881 HG SER 112 HG SER 112 -5.602 -26.798 -0.871 882 H SER 113 H SER 113 -8.201 -30.506 -1.431 883 HA SER 113 HA SER 113 -9.403 -29.206 -3.645 884 HB2 SER 113 1HB SER 113 -9.686 -31.258 -5.071 885 HB3 SER 113 2HB SER 113 -8.036 -30.638 -5.014 886 HG SER 113 HG SER 113 -9.101 -32.984 -3.955 887 H GLY 114 H GLY 114 -11.602 -30.018 -4.075 888 HA2 GLY 114 1HA GLY 114 -13.672 -30.375 -3.086 889 HA3 GLY 114 2HA GLY 114 -13.013 -31.997 -2.938 Start of MODEL 17 1 H1 GLY 1 H GLY 1 5.422 34.008 5.259 2 HA2 GLY 1 1HA GLY 1 4.887 34.023 3.026 3 HA3 GLY 1 2HA GLY 1 6.361 34.958 2.826 4 H SER 2 H SER 2 4.805 32.273 1.800 5 HA SER 2 HA SER 2 7.180 31.211 0.570 6 HB2 SER 2 1HB SER 2 7.290 30.046 2.712 7 HB3 SER 2 2HB SER 2 5.622 29.506 2.528 8 HG SER 2 HG SER 2 7.403 28.894 0.475 9 H SER 3 H SER 3 6.743 30.049 -1.273 10 HA SER 3 HA SER 3 4.037 29.184 -1.851 11 HB2 SER 3 1HB SER 3 4.030 31.584 -2.482 12 HB3 SER 3 2HB SER 3 5.373 31.278 -3.584 13 HG SER 3 HG SER 3 3.652 29.520 -4.282 14 H GLY 4 H GLY 4 4.421 27.168 -2.502 15 HA2 GLY 4 1HA GLY 4 5.803 26.622 -4.911 16 HA3 GLY 4 2HA GLY 4 6.811 26.182 -3.540 17 H SER 5 H SER 5 6.729 23.987 -4.153 18 HA SER 5 HA SER 5 4.526 22.450 -4.714 19 HB2 SER 5 1HB SER 5 5.812 20.536 -4.075 20 HB3 SER 5 2HB SER 5 6.950 21.719 -4.719 21 HG SER 5 HG SER 5 7.429 22.305 -2.553 22 H SER 6 H SER 6 2.938 21.431 -3.581 23 HA SER 6 HA SER 6 2.761 22.073 -0.710 24 HB2 SER 6 1HB SER 6 0.359 21.471 -2.416 25 HB3 SER 6 2HB SER 6 0.445 22.367 -0.899 26 HG SER 6 HG SER 6 1.827 23.866 -2.265 27 H GLY 7 H GLY 7 1.931 19.657 -3.177 28 HA2 GLY 7 1HA GLY 7 1.672 17.381 -3.043 29 HA3 GLY 7 2HA GLY 7 2.760 17.458 -1.665 30 HA PRO 8 HA PRO 8 -1.715 16.337 -0.470 31 HB2 PRO 8 1HB PRO 8 -1.369 13.673 -0.075 32 HB3 PRO 8 2HB PRO 8 -1.871 14.357 -1.626 33 HG2 PRO 8 1HG PRO 8 0.847 13.472 -0.737 34 HG3 PRO 8 2HG PRO 8 0.035 13.202 -2.290 35 HD2 PRO 8 1HD PRO 8 1.913 15.122 -1.941 36 HD3 PRO 8 2HD PRO 8 0.555 15.308 -3.070 37 H THR 9 H THR 9 -2.195 16.512 1.635 38 HA THR 9 HA THR 9 -0.049 16.067 3.582 39 HB THR 9 HB THR 9 -1.486 17.394 5.135 40 HG1 THR 9 1HG THR 9 -3.167 18.643 3.881 41 HG21 THR 9 3HG2 THR 9 -0.623 19.359 4.390 42 HG22 THR 9 1HG2 THR 9 -1.223 19.127 2.749 43 HG23 THR 9 2HG2 THR 9 0.234 18.287 3.282 44 H SER 10 H SER 10 -2.083 14.087 2.336 45 HA SER 10 HA SER 10 -2.580 12.672 4.829 46 HB2 SER 10 1HB SER 10 -4.640 13.997 4.438 47 HB3 SER 10 2HB SER 10 -4.815 13.226 2.862 48 HG SER 10 HG SER 10 -4.919 11.991 5.412 49 H ALA 11 H ALA 11 -2.555 10.472 4.614 50 HA ALA 11 HA ALA 11 -1.548 9.444 2.108 51 HB1 ALA 11 3HB ALA 11 -2.049 7.368 3.999 52 HB2 ALA 11 1HB ALA 11 -0.505 8.007 3.433 53 HB3 ALA 11 2HB ALA 11 -1.304 8.735 4.827 54 HA PRO 12 HA PRO 12 -5.142 7.505 0.501 55 HB2 PRO 12 1HB PRO 12 -4.332 4.987 -0.108 56 HB3 PRO 12 2HB PRO 12 -3.811 6.409 -1.018 57 HG2 PRO 12 1HG PRO 12 -2.371 4.905 1.132 58 HG3 PRO 12 2HG PRO 12 -1.743 5.546 -0.397 59 HD2 PRO 12 1HD PRO 12 -1.380 6.809 1.971 60 HD3 PRO 12 2HD PRO 12 -1.546 7.686 0.436 61 H LYS 13 H LYS 13 -6.722 5.731 0.742 62 HA LYS 13 HA LYS 13 -6.608 4.443 3.385 63 HB2 LYS 13 1HB LYS 13 -9.239 4.835 3.207 64 HB3 LYS 13 2HB LYS 13 -8.163 6.018 3.938 65 HG2 LYS 13 1HG LYS 13 -8.141 7.328 1.931 66 HG3 LYS 13 2HG LYS 13 -9.052 6.090 1.063 67 HD2 LYS 13 1HD LYS 13 -11.026 6.682 2.017 68 HD3 LYS 13 2HD LYS 13 -10.272 7.140 3.546 69 HE2 LYS 13 1HE LYS 13 -9.681 8.807 1.163 70 HE3 LYS 13 2HE LYS 13 -11.293 8.931 1.865 71 HZ1 LYS 13 3HZ LYS 13 -8.836 9.997 2.816 72 HZ2 LYS 13 1HZ LYS 13 -9.564 9.028 3.997 73 HZ3 LYS 13 2HZ LYS 13 -10.415 10.327 3.326 74 H ASP 14 H ASP 14 -8.806 2.952 3.410 75 HA ASP 14 HA ASP 14 -9.605 0.931 2.730 76 HB2 ASP 14 1HB ASP 14 -10.638 2.549 1.051 77 HB3 ASP 14 2HB ASP 14 -9.396 2.012 -0.078 78 H LEU 15 H LEU 15 -6.733 1.208 2.958 79 HA LEU 15 HA LEU 15 -5.486 -0.179 0.792 80 HB2 LEU 15 1HB LEU 15 -4.258 1.356 2.251 81 HB3 LEU 15 2HB LEU 15 -4.537 0.279 3.617 82 HG LEU 15 HG LEU 15 -3.163 -1.441 2.522 83 HD11 LEU 15 1HD1 LEU 15 -3.281 0.491 0.312 84 HD12 LEU 15 2HD1 LEU 15 -3.080 -1.260 0.284 85 HD13 LEU 15 3HD1 LEU 15 -1.695 -0.219 0.610 86 HD21 LEU 15 3HD2 LEU 15 -2.287 0.512 4.014 87 HD22 LEU 15 1HD2 LEU 15 -1.516 1.048 2.521 88 HD23 LEU 15 2HD2 LEU 15 -1.147 -0.545 3.180 89 H THR 16 H THR 16 -6.287 -2.168 0.382 90 HA THR 16 HA THR 16 -6.228 -4.117 2.594 91 HB THR 16 HB THR 16 -8.055 -4.284 0.194 92 HG1 THR 16 1HG THR 16 -8.412 -3.109 2.739 93 HG21 THR 16 3HG2 THR 16 -7.954 -6.431 0.993 94 HG22 THR 16 1HG2 THR 16 -9.242 -5.792 2.013 95 HG23 THR 16 2HG2 THR 16 -7.600 -5.918 2.642 96 H VAL 17 H VAL 17 -5.123 -5.972 2.277 97 HA VAL 17 HA VAL 17 -3.942 -6.397 -0.392 98 HB VAL 17 HB VAL 17 -2.746 -7.035 2.308 99 HG11 VAL 17 1HG1 VAL 17 -1.379 -7.365 -0.343 100 HG12 VAL 17 2HG1 VAL 17 -0.914 -8.014 1.231 101 HG13 VAL 17 3HG1 VAL 17 -2.316 -8.670 0.384 102 HG21 VAL 17 3HG2 VAL 17 -2.480 -4.793 0.425 103 HG22 VAL 17 1HG2 VAL 17 -2.171 -4.864 2.160 104 HG23 VAL 17 2HG2 VAL 17 -0.958 -5.453 1.023 105 H ILE 18 H ILE 18 -4.552 -8.199 -1.377 106 HA ILE 18 HA ILE 18 -5.411 -10.486 0.272 107 HB ILE 18 HB ILE 18 -6.948 -11.086 -1.623 108 HG12 ILE 18 1HG1 ILE 18 -6.632 -8.209 -2.469 109 HG13 ILE 18 2HG1 ILE 18 -5.722 -9.509 -3.231 110 HG21 ILE 18 1HG2 ILE 18 -7.312 -9.371 0.524 111 HG22 ILE 18 2HG2 ILE 18 -8.067 -8.536 -0.832 112 HG23 ILE 18 3HG2 ILE 18 -8.575 -10.171 -0.410 113 HD11 ILE 18 3HD1 ILE 18 -7.690 -10.520 -4.058 114 HD12 ILE 18 1HD1 ILE 18 -8.719 -9.488 -3.065 115 HD13 ILE 18 2HD1 ILE 18 -7.814 -8.798 -4.412 116 H THR 19 H THR 19 -5.157 -12.592 -0.738 117 HA THR 19 HA THR 19 -2.720 -12.687 -2.353 118 HB THR 19 HB THR 19 -2.548 -14.056 -0.423 119 HG1 THR 19 1HG THR 19 -3.296 -15.896 -2.453 120 HG21 THR 19 3HG2 THR 19 -5.364 -14.621 -0.982 121 HG22 THR 19 1HG2 THR 19 -4.490 -14.628 0.550 122 HG23 THR 19 2HG2 THR 19 -4.436 -16.042 -0.503 123 H ARG 20 H ARG 20 -2.943 -12.838 -4.480 124 HA ARG 20 HA ARG 20 -5.085 -13.116 -6.037 125 HB2 ARG 20 1HB ARG 20 -2.545 -13.023 -6.650 126 HB3 ARG 20 2HB ARG 20 -2.699 -14.770 -6.783 127 HG2 ARG 20 1HG ARG 20 -3.142 -14.219 -8.932 128 HG3 ARG 20 2HG ARG 20 -4.779 -14.087 -8.284 129 HD2 ARG 20 1HD ARG 20 -4.138 -11.623 -7.824 130 HD3 ARG 20 2HD ARG 20 -2.837 -11.915 -8.977 131 HE ARG 20 HE ARG 20 -5.489 -12.637 -9.885 132 HH11 ARG 20 1HH1 ARG 20 -3.008 -10.198 -9.761 133 HH12 ARG 20 2HH1 ARG 20 -3.605 -9.335 -11.140 134 HH21 ARG 20 1HH2 ARG 20 -6.284 -11.510 -11.702 135 HH22 ARG 20 2HH2 ARG 20 -5.469 -10.082 -12.243 136 H GLU 21 H GLU 21 -6.691 -14.512 -6.309 137 HA GLU 21 HA GLU 21 -6.865 -16.938 -4.900 138 HB2 GLU 21 1HB GLU 21 -8.982 -17.188 -5.845 139 HB3 GLU 21 2HB GLU 21 -8.746 -15.446 -5.850 140 HG2 GLU 21 1HG GLU 21 -9.667 -15.968 -7.939 141 HG3 GLU 21 2HG GLU 21 -7.952 -15.690 -8.235 142 H GLY 22 H GLY 22 -5.106 -16.216 -7.636 143 HA2 GLY 22 1HA GLY 22 -5.131 -19.042 -8.501 144 HA3 GLY 22 2HA GLY 22 -4.853 -17.698 -9.599 145 H LYS 23 H LYS 23 -3.286 -16.630 -7.052 146 HA LYS 23 HA LYS 23 -0.895 -18.279 -7.279 147 HB2 LYS 23 1HB LYS 23 -1.066 -15.407 -8.167 148 HB3 LYS 23 2HB LYS 23 0.457 -16.127 -7.663 149 HG2 LYS 23 1HG LYS 23 -1.194 -17.460 -9.762 150 HG3 LYS 23 2HG LYS 23 -0.181 -16.075 -10.175 151 HD2 LYS 23 1HD LYS 23 0.880 -18.477 -8.707 152 HD3 LYS 23 2HD LYS 23 0.857 -18.375 -10.469 153 HE2 LYS 23 1HE LYS 23 2.209 -16.409 -8.623 154 HE3 LYS 23 2HE LYS 23 3.023 -17.699 -9.507 155 HZ1 LYS 23 3HZ LYS 23 1.679 -15.305 -10.613 156 HZ2 LYS 23 1HZ LYS 23 2.088 -16.637 -11.573 157 HZ3 LYS 23 2HZ LYS 23 3.299 -15.763 -10.779 158 HA PRO 24 HA PRO 24 -1.035 -17.191 -2.958 159 HB2 PRO 24 1HB PRO 24 1.116 -18.679 -2.233 160 HB3 PRO 24 2HB PRO 24 -0.475 -19.381 -2.547 161 HG2 PRO 24 1HG PRO 24 1.920 -19.242 -4.337 162 HG3 PRO 24 2HG PRO 24 0.809 -20.595 -4.058 163 HD2 PRO 24 1HD PRO 24 0.639 -18.995 -6.236 164 HD3 PRO 24 2HD PRO 24 -0.787 -19.743 -5.487 165 H ARG 25 H ARG 25 1.961 -17.136 -4.862 166 HA ARG 25 HA ARG 25 3.301 -15.359 -3.053 167 HB2 ARG 25 1HB ARG 25 3.943 -16.306 -5.846 168 HB3 ARG 25 2HB ARG 25 4.977 -15.205 -4.945 169 HG2 ARG 25 1HG ARG 25 5.706 -16.822 -3.527 170 HG3 ARG 25 2HG ARG 25 4.200 -17.737 -3.619 171 HD2 ARG 25 1HD ARG 25 5.984 -17.523 -6.011 172 HD3 ARG 25 2HD ARG 25 6.353 -18.679 -4.731 173 HE ARG 25 HE ARG 25 3.750 -19.174 -5.293 174 HH11 ARG 25 1HH1 ARG 25 6.631 -18.963 -7.236 175 HH12 ARG 25 2HH1 ARG 25 6.076 -20.103 -8.416 176 HH21 ARG 25 1HH2 ARG 25 3.008 -20.677 -6.841 177 HH22 ARG 25 2HH2 ARG 25 4.014 -21.076 -8.191 178 H ALA 26 H ALA 26 0.862 -14.902 -5.254 179 HA ALA 26 HA ALA 26 1.681 -12.135 -5.836 180 HB1 ALA 26 3HB ALA 26 -0.662 -12.895 -7.281 181 HB2 ALA 26 1HB ALA 26 0.931 -12.454 -7.898 182 HB3 ALA 26 2HB ALA 26 0.577 -14.133 -7.488 183 H VAL 27 H VAL 27 0.412 -10.430 -5.238 184 HA VAL 27 HA VAL 27 -2.135 -10.991 -3.898 185 HB VAL 27 HB VAL 27 -1.572 -9.423 -2.077 186 HG11 VAL 27 1HG1 VAL 27 -0.340 -12.034 -2.504 187 HG12 VAL 27 2HG1 VAL 27 0.487 -11.053 -1.292 188 HG13 VAL 27 3HG1 VAL 27 -1.231 -11.413 -1.114 189 HG21 VAL 27 3HG2 VAL 27 1.285 -9.516 -2.296 190 HG22 VAL 27 1HG2 VAL 27 0.596 -8.776 -3.741 191 HG23 VAL 27 2HG2 VAL 27 0.224 -8.115 -2.148 192 H ILE 28 H ILE 28 -3.571 -9.198 -3.789 193 HA ILE 28 HA ILE 28 -2.942 -7.092 -5.751 194 HB ILE 28 HB ILE 28 -5.746 -7.777 -4.950 195 HG12 ILE 28 1HG1 ILE 28 -4.633 -9.899 -5.608 196 HG13 ILE 28 2HG1 ILE 28 -5.894 -9.414 -6.736 197 HG21 ILE 28 1HG2 ILE 28 -4.577 -5.915 -6.661 198 HG22 ILE 28 2HG2 ILE 28 -5.252 -7.151 -7.721 199 HG23 ILE 28 3HG2 ILE 28 -6.287 -6.333 -6.552 200 HD11 ILE 28 3HD1 ILE 28 -3.121 -9.926 -7.217 201 HD12 ILE 28 1HD1 ILE 28 -4.426 -9.647 -8.369 202 HD13 ILE 28 2HD1 ILE 28 -3.529 -8.281 -7.704 203 H VAL 29 H VAL 29 -2.140 -5.495 -4.458 204 HA VAL 29 HA VAL 29 -3.468 -4.750 -2.000 205 HB VAL 29 HB VAL 29 -1.181 -3.399 -3.440 206 HG11 VAL 29 1HG1 VAL 29 -0.964 -1.954 -1.692 207 HG12 VAL 29 2HG1 VAL 29 -2.711 -2.194 -1.637 208 HG13 VAL 29 3HG1 VAL 29 -1.663 -3.079 -0.529 209 HG21 VAL 29 3HG2 VAL 29 -1.328 -5.659 -1.524 210 HG22 VAL 29 1HG2 VAL 29 -0.191 -5.358 -2.839 211 HG23 VAL 29 2HG2 VAL 29 -0.020 -4.494 -1.310 212 H SER 30 H SER 30 -5.347 -3.705 -2.162 213 HA SER 30 HA SER 30 -5.708 -1.719 -4.287 214 HB2 SER 30 1HB SER 30 -8.046 -1.939 -3.968 215 HB3 SER 30 2HB SER 30 -7.411 -3.580 -3.846 216 HG SER 30 HG SER 30 -8.209 -3.651 -1.917 217 H TRP 31 H TRP 31 -7.044 0.238 -3.627 218 HA TRP 31 HA TRP 31 -7.013 1.176 -0.967 219 HB2 TRP 31 1HB TRP 31 -5.252 2.862 -1.105 220 HB3 TRP 31 2HB TRP 31 -4.578 1.252 -1.347 221 HD1 TRP 31 HD TRP 31 -5.381 4.474 -3.277 222 HE1 TRP 31 1HE TRP 31 -4.004 4.484 -5.452 223 HE3 TRP 31 3HE TRP 31 -3.407 -0.234 -3.010 224 HZ2 TRP 31 2HZ TRP 31 -2.306 2.728 -6.867 225 HZ3 TRP 31 3HZ TRP 31 -1.917 -0.992 -4.814 226 HH2 TRP 31 HH TRP 31 -1.379 0.460 -6.702 227 H GLN 32 H GLN 32 -7.251 3.714 -0.998 228 HA GLN 32 HA GLN 32 -8.822 4.480 -3.364 229 HB2 GLN 32 1HB GLN 32 -9.621 4.447 -0.501 230 HB3 GLN 32 2HB GLN 32 -10.168 5.807 -1.473 231 HG2 GLN 32 1HG GLN 32 -11.600 3.615 -1.229 232 HG3 GLN 32 2HG GLN 32 -11.561 4.533 -2.733 233 HE21 GLN 32 1HE2 GLN 32 -10.974 3.521 -4.533 234 HE22 GLN 32 2HE2 GLN 32 -10.282 1.940 -4.614 235 HA PRO 33 HA PRO 33 -6.620 8.273 -3.368 236 HB2 PRO 33 1HB PRO 33 -8.522 10.025 -4.193 237 HB3 PRO 33 2HB PRO 33 -7.788 8.828 -5.266 238 HG2 PRO 33 1HG PRO 33 -10.416 8.731 -3.835 239 HG3 PRO 33 2HG PRO 33 -10.032 8.263 -5.502 240 HD2 PRO 33 1HD PRO 33 -10.290 6.454 -3.504 241 HD3 PRO 33 2HD PRO 33 -9.173 6.221 -4.864 242 HA PRO 34 HA PRO 34 -7.351 10.106 0.607 243 HB2 PRO 34 1HB PRO 34 -5.467 12.054 0.431 244 HB3 PRO 34 2HB PRO 34 -5.070 10.358 0.731 245 HG2 PRO 34 1HG PRO 34 -4.970 11.902 -1.832 246 HG3 PRO 34 2HG PRO 34 -3.800 10.740 -1.180 247 HD2 PRO 34 1HD PRO 34 -5.595 10.080 -3.096 248 HD3 PRO 34 2HD PRO 34 -5.030 8.920 -1.878 249 H LEU 35 H LEU 35 -8.367 11.902 1.475 250 HA LEU 35 HA LEU 35 -9.936 13.464 -0.325 251 HB2 LEU 35 1HB LEU 35 -9.639 13.255 2.628 252 HB3 LEU 35 2HB LEU 35 -10.421 14.689 1.965 253 HG LEU 35 HG LEU 35 -12.026 12.964 2.679 254 HD11 LEU 35 1HD1 LEU 35 -11.879 14.219 0.087 255 HD12 LEU 35 2HD1 LEU 35 -13.265 13.994 1.153 256 HD13 LEU 35 3HD1 LEU 35 -12.809 12.722 0.020 257 HD21 LEU 35 3HD2 LEU 35 -11.552 11.202 0.407 258 HD22 LEU 35 1HD2 LEU 35 -11.891 10.813 2.094 259 HD23 LEU 35 2HD2 LEU 35 -10.242 11.183 1.588 260 H GLU 36 H GLU 36 -7.158 14.121 1.762 261 HA GLU 36 HA GLU 36 -7.069 16.894 0.874 262 HB2 GLU 36 1HB GLU 36 -5.122 15.488 2.702 263 HB3 GLU 36 2HB GLU 36 -5.367 17.219 2.524 264 HG2 GLU 36 1HG GLU 36 -7.718 16.835 3.378 265 HG3 GLU 36 2HG GLU 36 -7.185 15.213 3.815 266 H ALA 37 H ALA 37 -6.692 15.031 -1.176 267 HA ALA 37 HA ALA 37 -4.003 14.436 -1.740 268 HB1 ALA 37 3HB ALA 37 -5.989 14.993 -3.907 269 HB2 ALA 37 1HB ALA 37 -4.719 13.771 -3.840 270 HB3 ALA 37 2HB ALA 37 -6.175 13.584 -2.862 271 H ASN 38 H ASN 38 -5.689 17.397 -1.768 272 HA ASN 38 HA ASN 38 -5.245 19.473 -2.635 273 HB2 ASN 38 1HB ASN 38 -2.495 18.510 -1.827 274 HB3 ASN 38 2HB ASN 38 -2.865 20.181 -2.240 275 HD21 ASN 38 1HD2 ASN 38 -2.444 18.138 0.254 276 HD22 ASN 38 2HD2 ASN 38 -3.392 18.931 1.461 277 H GLY 39 H GLY 39 -5.617 17.762 -4.718 278 HA2 GLY 39 1HA GLY 39 -5.154 18.680 -7.015 279 HA3 GLY 39 2HA GLY 39 -3.457 18.473 -6.604 280 H LYS 40 H LYS 40 -5.906 17.156 -8.311 281 HA LYS 40 HA LYS 40 -6.169 14.525 -7.947 282 HB2 LYS 40 1HB LYS 40 -7.082 15.582 -9.908 283 HB3 LYS 40 2HB LYS 40 -5.475 15.900 -10.546 284 HG2 LYS 40 1HG LYS 40 -5.252 13.292 -10.432 285 HG3 LYS 40 2HG LYS 40 -7.015 13.356 -10.461 286 HD2 LYS 40 1HD LYS 40 -6.970 14.609 -12.531 287 HD3 LYS 40 2HD LYS 40 -5.207 14.685 -12.479 288 HE2 LYS 40 1HE LYS 40 -5.310 12.115 -12.452 289 HE3 LYS 40 2HE LYS 40 -6.979 12.317 -12.981 290 HZ1 LYS 40 3HZ LYS 40 -6.329 13.208 -14.986 291 HZ2 LYS 40 1HZ LYS 40 -5.115 12.058 -14.727 292 HZ3 LYS 40 2HZ LYS 40 -4.811 13.693 -14.419 293 H ILE 41 H ILE 41 -4.814 12.979 -7.349 294 HA ILE 41 HA ILE 41 -2.066 13.079 -7.315 295 HB ILE 41 HB ILE 41 -3.745 10.585 -7.608 296 HG12 ILE 41 1HG1 ILE 41 -4.451 11.962 -5.708 297 HG13 ILE 41 2HG1 ILE 41 -3.653 10.496 -5.151 298 HG21 ILE 41 1HG2 ILE 41 -0.928 10.988 -6.616 299 HG22 ILE 41 2HG2 ILE 41 -1.844 9.490 -6.451 300 HG23 ILE 41 3HG2 ILE 41 -1.433 10.101 -8.054 301 HD11 ILE 41 3HD1 ILE 41 -2.898 12.296 -3.805 302 HD12 ILE 41 1HD1 ILE 41 -1.570 11.839 -4.870 303 HD13 ILE 41 2HD1 ILE 41 -2.526 13.279 -5.221 304 H THR 42 H THR 42 -0.415 12.211 -8.599 305 HA THR 42 HA THR 42 -1.171 11.662 -11.396 306 HB THR 42 HB THR 42 1.041 12.665 -12.036 307 HG1 THR 42 1HG THR 42 2.291 12.925 -10.325 308 HG21 THR 42 3HG2 THR 42 -0.123 14.505 -12.511 309 HG22 THR 42 1HG2 THR 42 -0.138 14.989 -10.816 310 HG23 THR 42 2HG2 THR 42 -1.396 13.921 -11.439 311 H ALA 43 H ALA 43 0.423 10.567 -8.617 312 HA ALA 43 HA ALA 43 1.212 8.133 -9.906 313 HB1 ALA 43 3HB ALA 43 3.098 9.748 -10.410 314 HB2 ALA 43 1HB ALA 43 3.453 9.722 -8.683 315 HB3 ALA 43 2HB ALA 43 3.553 8.235 -9.627 316 H TYR 44 H TYR 44 1.137 6.487 -8.493 317 HA TYR 44 HA TYR 44 0.963 7.169 -5.633 318 HB2 TYR 44 1HB TYR 44 -0.364 5.003 -7.255 319 HB3 TYR 44 2HB TYR 44 -0.281 4.932 -5.498 320 HD1 TYR 44 2HD TYR 44 -1.152 7.086 -4.258 321 HD2 TYR 44 1HD TYR 44 -2.191 6.021 -8.244 322 HE1 TYR 44 2HE TYR 44 -3.166 8.490 -4.102 323 HE2 TYR 44 1HE TYR 44 -4.207 7.422 -8.099 324 HH TYR 44 HH TYR 44 -5.716 8.268 -6.028 325 H ILE 45 H ILE 45 2.663 6.588 -4.472 326 HA ILE 45 HA ILE 45 4.364 4.394 -5.424 327 HB ILE 45 HB ILE 45 5.035 6.348 -3.231 328 HG12 ILE 45 1HG1 ILE 45 6.487 7.302 -5.241 329 HG13 ILE 45 2HG1 ILE 45 5.167 6.640 -6.199 330 HG21 ILE 45 1HG2 ILE 45 6.818 4.706 -5.023 331 HG22 ILE 45 2HG2 ILE 45 7.307 5.684 -3.640 332 HG23 ILE 45 3HG2 ILE 45 6.332 4.236 -3.394 333 HD11 ILE 45 3HD1 ILE 45 5.014 9.079 -5.520 334 HD12 ILE 45 1HD1 ILE 45 3.597 8.072 -5.224 335 HD13 ILE 45 2HD1 ILE 45 4.678 8.489 -3.893 336 H LEU 46 H LEU 46 4.310 2.490 -4.440 337 HA LEU 46 HA LEU 46 3.055 2.316 -1.787 338 HB2 LEU 46 1HB LEU 46 1.864 1.003 -3.344 339 HB3 LEU 46 2HB LEU 46 3.346 0.340 -4.031 340 HG LEU 46 HG LEU 46 3.637 -0.696 -1.644 341 HD11 LEU 46 1HD1 LEU 46 0.702 -0.055 -1.763 342 HD12 LEU 46 2HD1 LEU 46 1.855 0.333 -0.487 343 HD13 LEU 46 3HD1 LEU 46 1.365 -1.340 -0.753 344 HD21 LEU 46 3HD2 LEU 46 2.460 -2.691 -2.398 345 HD22 LEU 46 1HD2 LEU 46 3.360 -1.955 -3.724 346 HD23 LEU 46 2HD2 LEU 46 1.612 -1.743 -3.620 347 H PHE 47 H PHE 47 3.992 1.029 -0.162 348 HA PHE 47 HA PHE 47 6.769 0.188 -0.616 349 HB2 PHE 47 1HB PHE 47 5.836 1.752 1.800 350 HB3 PHE 47 2HB PHE 47 7.471 1.173 1.499 351 HD1 PHE 47 1HD PHE 47 4.848 3.331 -0.030 352 HD2 PHE 47 2HD PHE 47 9.003 2.595 0.533 353 HE1 PHE 47 1HE PHE 47 5.375 5.438 -1.187 354 HE2 PHE 47 2HE PHE 47 9.536 4.701 -0.622 355 HZ PHE 47 HZ PHE 47 7.721 6.126 -1.483 356 H TYR 48 H TYR 48 7.061 -1.848 -0.019 357 HA TYR 48 HA TYR 48 5.511 -2.915 2.235 358 HB2 TYR 48 1HB TYR 48 5.090 -4.992 1.024 359 HB3 TYR 48 2HB TYR 48 4.408 -3.626 0.148 360 HD1 TYR 48 2HD TYR 48 5.519 -2.803 -1.912 361 HD2 TYR 48 1HD TYR 48 6.823 -6.332 0.075 362 HE1 TYR 48 2HE TYR 48 6.748 -3.479 -3.932 363 HE2 TYR 48 1HE TYR 48 8.056 -7.018 -1.939 364 HH TYR 48 HH TYR 48 8.993 -6.085 -3.931 365 H THR 49 H THR 49 6.520 -4.542 3.424 366 HA THR 49 HA THR 49 8.994 -5.723 2.678 367 HB THR 49 HB THR 49 9.667 -3.327 3.248 368 HG1 THR 49 1HG THR 49 11.382 -4.301 4.778 369 HG21 THR 49 3HG2 THR 49 8.211 -3.046 5.200 370 HG22 THR 49 1HG2 THR 49 9.905 -2.807 5.627 371 HG23 THR 49 2HG2 THR 49 9.095 -4.317 6.044 372 H LEU 50 H LEU 50 9.745 -7.252 4.209 373 HA LEU 50 HA LEU 50 7.666 -8.167 6.011 374 HB2 LEU 50 1HB LEU 50 9.235 -10.108 6.330 375 HB3 LEU 50 2HB LEU 50 8.621 -9.868 4.696 376 HG LEU 50 HG LEU 50 10.770 -8.837 4.066 377 HD11 LEU 50 1HD1 LEU 50 12.591 -9.581 5.920 378 HD12 LEU 50 2HD1 LEU 50 11.241 -9.114 6.954 379 HD13 LEU 50 3HD1 LEU 50 11.904 -7.961 5.797 380 HD21 LEU 50 3HD2 LEU 50 10.295 -11.591 4.753 381 HD22 LEU 50 1HD2 LEU 50 12.005 -11.194 4.922 382 HD23 LEU 50 2HD2 LEU 50 11.182 -10.912 3.388 383 H ASP 51 H ASP 51 10.383 -6.207 6.212 384 HA ASP 51 HA ASP 51 10.496 -6.588 9.131 385 HB2 ASP 51 1HB ASP 51 12.715 -6.326 7.147 386 HB3 ASP 51 2HB ASP 51 12.935 -5.633 8.751 387 H LYS 52 H LYS 52 9.799 -4.860 10.180 388 HA LYS 52 HA LYS 52 9.585 -2.307 8.816 389 HB2 LYS 52 1HB LYS 52 8.335 -1.597 10.813 390 HB3 LYS 52 2HB LYS 52 7.687 -3.084 10.133 391 HG2 LYS 52 1HG LYS 52 9.230 -4.237 11.881 392 HG3 LYS 52 2HG LYS 52 9.191 -2.661 12.674 393 HD2 LYS 52 1HD LYS 52 6.656 -4.007 11.808 394 HD3 LYS 52 2HD LYS 52 7.432 -4.438 13.335 395 HE2 LYS 52 1HE LYS 52 7.252 -2.186 14.132 396 HE3 LYS 52 2HE LYS 52 6.692 -1.621 12.559 397 HZ1 LYS 52 3HZ LYS 52 4.612 -2.310 12.961 398 HZ2 LYS 52 1HZ LYS 52 5.075 -2.268 14.588 399 HZ3 LYS 52 2HZ LYS 52 5.101 -3.730 13.739 400 H ASN 53 H ASN 53 11.527 -3.826 11.269 401 HA ASN 53 HA ASN 53 12.566 -1.795 12.734 402 HB2 ASN 53 1HB ASN 53 13.208 -4.313 12.654 403 HB3 ASN 53 2HB ASN 53 14.443 -3.797 11.510 404 HD21 ASN 53 1HD2 ASN 53 13.191 -3.220 14.756 405 HD22 ASN 53 2HD2 ASN 53 14.702 -2.746 15.447 406 H ILE 54 H ILE 54 12.984 -2.312 9.339 407 HA ILE 54 HA ILE 54 15.195 -0.448 9.118 408 HB ILE 54 HB ILE 54 14.799 -0.793 6.621 409 HG12 ILE 54 1HG1 ILE 54 13.100 -3.086 7.618 410 HG13 ILE 54 2HG1 ILE 54 12.438 -1.603 6.941 411 HG21 ILE 54 1HG2 ILE 54 15.416 -3.264 8.231 412 HG22 ILE 54 2HG2 ILE 54 15.988 -2.874 6.609 413 HG23 ILE 54 3HG2 ILE 54 16.540 -1.926 7.990 414 HD11 ILE 54 3HD1 ILE 54 13.542 -3.928 5.612 415 HD12 ILE 54 1HD1 ILE 54 12.498 -2.652 4.987 416 HD13 ILE 54 2HD1 ILE 54 14.246 -2.418 5.035 417 HA PRO 55 HA PRO 55 12.887 3.210 8.372 418 HB2 PRO 55 1HB PRO 55 14.447 4.466 6.539 419 HB3 PRO 55 2HB PRO 55 14.898 4.314 8.242 420 HG2 PRO 55 1HG PRO 55 15.789 2.685 5.894 421 HG3 PRO 55 2HG PRO 55 16.748 3.322 7.243 422 HD2 PRO 55 1HD PRO 55 15.919 0.747 7.134 423 HD3 PRO 55 2HD PRO 55 16.107 1.625 8.665 424 H ILE 56 H ILE 56 11.207 3.832 7.135 425 HA ILE 56 HA ILE 56 10.043 2.378 5.195 426 HB ILE 56 HB ILE 56 9.043 4.404 6.218 427 HG12 ILE 56 1HG1 ILE 56 7.870 5.181 4.121 428 HG13 ILE 56 2HG1 ILE 56 8.995 4.186 3.203 429 HG21 ILE 56 1HG2 ILE 56 11.249 5.718 5.477 430 HG22 ILE 56 2HG2 ILE 56 10.198 6.148 4.129 431 HG23 ILE 56 3HG2 ILE 56 9.711 6.525 5.781 432 HD11 ILE 56 3HD1 ILE 56 8.051 2.403 5.021 433 HD12 ILE 56 1HD1 ILE 56 6.640 3.427 4.756 434 HD13 ILE 56 2HD1 ILE 56 7.415 2.622 3.391 435 H ASP 57 H ASP 57 12.832 4.393 4.800 436 HA ASP 57 HA ASP 57 12.742 4.642 1.972 437 HB2 ASP 57 1HB ASP 57 14.898 4.978 4.038 438 HB3 ASP 57 2HB ASP 57 15.282 5.054 2.321 439 H ASP 58 H ASP 58 14.396 2.391 4.158 440 HA ASP 58 HA ASP 58 15.737 0.928 2.155 441 HB2 ASP 58 1HB ASP 58 15.941 0.949 4.808 442 HB3 ASP 58 2HB ASP 58 14.871 -0.442 4.656 443 H TRP 59 H TRP 59 12.468 0.903 3.259 444 HA TRP 59 HA TRP 59 11.665 -1.679 2.600 445 HB2 TRP 59 1HB TRP 59 10.111 0.910 2.407 446 HB3 TRP 59 2HB TRP 59 9.394 -0.697 2.323 447 HD1 TRP 59 HD TRP 59 12.168 -0.069 4.853 448 HE1 TRP 59 1HE TRP 59 11.168 -0.146 7.223 449 HE3 TRP 59 3HE TRP 59 7.207 -0.253 3.634 450 HZ2 TRP 59 2HZ TRP 59 8.614 -0.269 8.418 451 HZ3 TRP 59 3HZ TRP 59 5.549 -0.349 5.450 452 HH2 TRP 59 HH TRP 59 6.240 -0.358 7.792 453 H ILE 60 H ILE 60 10.145 -2.205 0.739 454 HA ILE 60 HA ILE 60 11.534 -1.577 -1.732 455 HB ILE 60 HB ILE 60 9.217 -3.456 -1.253 456 HG12 ILE 60 1HG1 ILE 60 12.122 -4.166 -1.669 457 HG13 ILE 60 2HG1 ILE 60 11.411 -3.970 -0.071 458 HG21 ILE 60 1HG2 ILE 60 10.631 -4.272 -3.495 459 HG22 ILE 60 2HG2 ILE 60 9.058 -3.477 -3.472 460 HG23 ILE 60 3HG2 ILE 60 10.527 -2.519 -3.656 461 HD11 ILE 60 3HD1 ILE 60 9.967 -5.813 -0.392 462 HD12 ILE 60 1HD1 ILE 60 10.346 -5.897 -2.112 463 HD13 ILE 60 2HD1 ILE 60 11.572 -6.323 -0.917 464 H MET 61 H MET 61 10.976 0.395 -2.492 465 HA MET 61 HA MET 61 8.252 1.335 -2.417 466 HB2 MET 61 1HB MET 61 10.155 2.881 -2.144 467 HB3 MET 61 2HB MET 61 10.678 2.515 -3.782 468 HG2 MET 61 1HG MET 61 8.085 3.271 -4.168 469 HG3 MET 61 2HG MET 61 8.581 4.306 -2.831 470 HE1 MET 61 3HE MET 61 9.389 3.058 -6.398 471 HE2 MET 61 1HE MET 61 10.651 4.160 -6.949 472 HE3 MET 61 2HE MET 61 11.010 2.956 -5.710 473 H GLU 62 H GLU 62 6.873 1.636 -4.156 474 HA GLU 62 HA GLU 62 7.707 0.568 -6.753 475 HB2 GLU 62 1HB GLU 62 5.517 -0.462 -5.010 476 HB3 GLU 62 2HB GLU 62 5.253 -0.441 -6.747 477 HG2 GLU 62 1HG GLU 62 7.317 -1.951 -5.189 478 HG3 GLU 62 2HG GLU 62 6.079 -2.574 -6.278 479 H THR 63 H THR 63 7.180 1.914 -8.336 480 HA THR 63 HA THR 63 5.442 4.163 -7.801 481 HB THR 63 HB THR 63 6.939 3.436 -10.328 482 HG1 THR 63 1HG THR 63 7.601 4.911 -8.021 483 HG21 THR 63 3HG2 THR 63 4.927 5.394 -9.828 484 HG22 THR 63 1HG2 THR 63 5.845 5.111 -11.306 485 HG23 THR 63 2HG2 THR 63 6.464 6.220 -10.081 486 H ILE 64 H ILE 64 3.356 4.280 -8.299 487 HA ILE 64 HA ILE 64 2.281 2.377 -10.278 488 HB ILE 64 HB ILE 64 0.745 3.493 -7.935 489 HG12 ILE 64 1HG1 ILE 64 1.654 0.648 -8.051 490 HG13 ILE 64 2HG1 ILE 64 2.795 1.876 -7.513 491 HG21 ILE 64 1HG2 ILE 64 0.185 1.448 -10.052 492 HG22 ILE 64 2HG2 ILE 64 -0.672 1.426 -8.512 493 HG23 ILE 64 3HG2 ILE 64 -0.786 2.837 -9.563 494 HD11 ILE 64 3HD1 ILE 64 1.701 2.234 -5.568 495 HD12 ILE 64 1HD1 ILE 64 0.117 1.893 -6.264 496 HD13 ILE 64 2HD1 ILE 64 1.201 0.566 -5.847 497 H SER 65 H SER 65 0.517 3.093 -11.565 498 HA SER 65 HA SER 65 0.767 5.575 -12.715 499 HB2 SER 65 1HB SER 65 -1.256 5.141 -13.873 500 HB3 SER 65 2HB SER 65 -0.560 3.552 -13.552 501 HG SER 65 HG SER 65 -2.081 4.219 -11.481 502 H GLY 66 H GLY 66 -1.097 7.243 -12.826 503 HA2 GLY 66 1HA GLY 66 -1.531 8.163 -10.080 504 HA3 GLY 66 2HA GLY 66 -1.659 9.143 -11.533 505 H ASP 67 H ASP 67 -3.233 6.457 -12.371 506 HA ASP 67 HA ASP 67 -5.816 7.523 -11.448 507 HB2 ASP 67 1HB ASP 67 -5.045 6.034 -13.955 508 HB3 ASP 67 2HB ASP 67 -6.722 6.230 -13.454 509 H ARG 68 H ARG 68 -3.950 4.570 -11.943 510 HA ARG 68 HA ARG 68 -5.931 2.758 -11.073 511 HB2 ARG 68 1HB ARG 68 -2.921 2.482 -10.981 512 HB3 ARG 68 2HB ARG 68 -4.074 1.166 -10.804 513 HG2 ARG 68 1HG ARG 68 -4.778 1.359 -13.056 514 HG3 ARG 68 2HG ARG 68 -3.927 2.892 -13.259 515 HD2 ARG 68 1HD ARG 68 -1.851 1.390 -12.568 516 HD3 ARG 68 2HD ARG 68 -2.875 0.114 -13.226 517 HE ARG 68 HE ARG 68 -2.743 2.304 -15.015 518 HH11 ARG 68 1HH1 ARG 68 -0.878 -0.383 -13.822 519 HH12 ARG 68 2HH1 ARG 68 0.069 -0.534 -15.265 520 HH21 ARG 68 1HH2 ARG 68 -1.502 2.115 -16.920 521 HH22 ARG 68 2HH2 ARG 68 -0.286 0.888 -17.026 522 H LEU 69 H LEU 69 -6.271 1.770 -9.084 523 HA LEU 69 HA LEU 69 -5.021 3.110 -6.775 524 HB2 LEU 69 1HB LEU 69 -7.839 2.059 -6.983 525 HB3 LEU 69 2HB LEU 69 -7.118 2.812 -5.563 526 HG LEU 69 HG LEU 69 -7.398 4.289 -8.164 527 HD11 LEU 69 1HD1 LEU 69 -9.619 4.014 -7.900 528 HD12 LEU 69 2HD1 LEU 69 -9.413 5.276 -6.686 529 HD13 LEU 69 3HD1 LEU 69 -9.474 3.583 -6.195 530 HD21 LEU 69 3HD2 LEU 69 -7.652 6.078 -6.150 531 HD22 LEU 69 1HD2 LEU 69 -6.123 5.671 -6.930 532 HD23 LEU 69 2HD2 LEU 69 -6.570 4.898 -5.409 533 H THR 70 H THR 70 -4.402 0.564 -8.255 534 HA THR 70 HA THR 70 -4.289 -1.146 -5.880 535 HB THR 70 HB THR 70 -5.098 -3.076 -6.923 536 HG1 THR 70 1HG THR 70 -4.678 -3.411 -8.963 537 HG21 THR 70 3HG2 THR 70 -6.821 -0.934 -8.161 538 HG22 THR 70 1HG2 THR 70 -6.855 -1.336 -6.444 539 HG23 THR 70 2HG2 THR 70 -7.310 -2.547 -7.643 540 H HIS 71 H HIS 71 -2.671 -2.862 -6.057 541 HA HIS 71 HA HIS 71 -0.697 -2.574 -8.175 542 HB2 HIS 71 1HB HIS 71 0.119 -0.940 -6.619 543 HB3 HIS 71 2HB HIS 71 -0.091 -2.044 -5.263 544 HD1 HIS 71 1HD HIS 71 2.081 -1.554 -8.316 545 HD2 HIS 71 2HD HIS 71 2.060 -3.660 -4.735 546 HE1 HIS 71 1HE HIS 71 4.370 -2.579 -8.125 547 HE2 HIS 71 2HE HIS 71 4.305 -3.918 -5.993 548 H GLN 72 H GLN 72 -0.003 -4.517 -8.770 549 HA GLN 72 HA GLN 72 -0.491 -6.783 -6.978 550 HB2 GLN 72 1HB GLN 72 -1.457 -6.881 -9.246 551 HB3 GLN 72 2HB GLN 72 0.158 -6.756 -9.931 552 HG2 GLN 72 1HG GLN 72 0.565 -8.877 -8.398 553 HG3 GLN 72 2HG GLN 72 -1.176 -9.048 -8.613 554 HE21 GLN 72 1HE2 GLN 72 -1.859 -8.688 -10.984 555 HE22 GLN 72 2HE2 GLN 72 -0.919 -9.538 -12.159 556 H ILE 73 H ILE 73 1.114 -7.903 -6.067 557 HA ILE 73 HA ILE 73 3.868 -7.290 -6.918 558 HB ILE 73 HB ILE 73 2.960 -8.198 -4.185 559 HG12 ILE 73 1HG1 ILE 73 4.002 -5.466 -4.915 560 HG13 ILE 73 2HG1 ILE 73 2.283 -5.843 -4.947 561 HG21 ILE 73 1HG2 ILE 73 5.561 -6.924 -4.411 562 HG22 ILE 73 2HG2 ILE 73 5.107 -8.439 -3.632 563 HG23 ILE 73 3HG2 ILE 73 5.446 -8.404 -5.362 564 HD11 ILE 73 3HD1 ILE 73 3.752 -4.944 -2.784 565 HD12 ILE 73 1HD1 ILE 73 2.116 -5.602 -2.752 566 HD13 ILE 73 2HD1 ILE 73 3.499 -6.659 -2.460 567 H MET 74 H MET 74 5.314 -8.944 -7.228 568 HA MET 74 HA MET 74 4.265 -11.683 -6.965 569 HB2 MET 74 1HB MET 74 5.924 -10.568 -9.233 570 HB3 MET 74 2HB MET 74 5.493 -12.262 -9.039 571 HG2 MET 74 1HG MET 74 3.054 -11.338 -9.003 572 HG3 MET 74 2HG MET 74 3.783 -9.946 -9.800 573 HE1 MET 74 3HE MET 74 5.331 -10.081 -11.591 574 HE2 MET 74 1HE MET 74 5.515 -11.367 -12.784 575 HE3 MET 74 2HE MET 74 4.152 -10.252 -12.892 576 H ASP 75 H ASP 75 5.946 -13.352 -6.831 577 HA ASP 75 HA ASP 75 7.815 -14.260 -5.905 578 HB2 ASP 75 1HB ASP 75 8.929 -12.835 -7.659 579 HB3 ASP 75 2HB ASP 75 9.145 -11.597 -6.425 580 H LEU 76 H LEU 76 6.064 -13.547 -4.070 581 HA LEU 76 HA LEU 76 7.527 -12.010 -2.035 582 HB2 LEU 76 1HB LEU 76 4.631 -12.547 -2.521 583 HB3 LEU 76 2HB LEU 76 5.184 -12.182 -0.888 584 HG LEU 76 HG LEU 76 5.379 -10.400 -3.313 585 HD11 LEU 76 1HD1 LEU 76 3.212 -10.187 -2.560 586 HD12 LEU 76 2HD1 LEU 76 4.037 -8.930 -1.638 587 HD13 LEU 76 3HD1 LEU 76 3.654 -10.474 -0.876 588 HD21 LEU 76 3HD2 LEU 76 6.213 -8.739 -1.565 589 HD22 LEU 76 1HD2 LEU 76 7.351 -9.967 -2.120 590 HD23 LEU 76 2HD2 LEU 76 6.551 -10.149 -0.559 591 H ASN 77 H ASN 77 7.812 -12.838 0.043 592 HA ASN 77 HA ASN 77 8.272 -15.619 0.211 593 HB2 ASN 77 1HB ASN 77 8.273 -13.390 2.234 594 HB3 ASN 77 2HB ASN 77 8.534 -15.062 2.722 595 HD21 ASN 77 1HD2 ASN 77 10.392 -12.962 3.018 596 HD22 ASN 77 2HD2 ASN 77 11.773 -13.335 2.050 597 H LEU 78 H LEU 78 7.267 -17.184 1.554 598 HA LEU 78 HA LEU 78 4.399 -16.677 1.954 599 HB2 LEU 78 1HB LEU 78 5.965 -19.193 1.462 600 HB3 LEU 78 2HB LEU 78 4.299 -19.221 2.036 601 HG LEU 78 HG LEU 78 3.470 -18.371 0.016 602 HD11 LEU 78 1HD1 LEU 78 4.879 -16.532 -0.413 603 HD12 LEU 78 2HD1 LEU 78 5.055 -17.602 -1.803 604 HD13 LEU 78 3HD1 LEU 78 6.306 -17.558 -0.561 605 HD21 LEU 78 3HD2 LEU 78 5.396 -20.549 -0.096 606 HD22 LEU 78 1HD2 LEU 78 5.141 -19.776 -1.661 607 HD23 LEU 78 2HD2 LEU 78 3.770 -20.437 -0.770 608 H ASP 79 H ASP 79 3.392 -17.914 3.781 609 HA ASP 79 HA ASP 79 3.159 -18.032 6.054 610 HB2 ASP 79 1HB ASP 79 4.568 -19.667 7.106 611 HB3 ASP 79 2HB ASP 79 4.295 -20.184 5.445 612 H THR 80 H THR 80 4.538 -15.655 5.042 613 HA THR 80 HA THR 80 5.971 -14.937 7.510 614 HB THR 80 HB THR 80 6.755 -14.028 4.734 615 HG1 THR 80 1HG THR 80 7.537 -16.066 4.926 616 HG21 THR 80 3HG2 THR 80 7.387 -12.273 6.102 617 HG22 THR 80 1HG2 THR 80 8.826 -13.291 6.149 618 HG23 THR 80 2HG2 THR 80 7.679 -13.321 7.490 619 H MET 81 H MET 81 5.827 -12.728 8.130 620 HA MET 81 HA MET 81 3.335 -11.494 7.298 621 HB2 MET 81 1HB MET 81 4.054 -11.728 9.714 622 HB3 MET 81 2HB MET 81 5.271 -10.501 9.389 623 HG2 MET 81 1HG MET 81 3.226 -9.618 10.452 624 HG3 MET 81 2HG MET 81 3.594 -8.873 8.898 625 HE1 MET 81 3HE MET 81 -0.043 -10.502 10.465 626 HE2 MET 81 1HE MET 81 0.797 -12.011 10.107 627 HE3 MET 81 2HE MET 81 1.577 -10.782 11.103 628 H TYR 82 H TYR 82 3.140 -9.706 6.081 629 HA TYR 82 HA TYR 82 5.593 -8.229 5.392 630 HB2 TYR 82 1HB TYR 82 3.547 -9.458 3.617 631 HB3 TYR 82 2HB TYR 82 4.198 -7.895 3.136 632 HD1 TYR 82 1HD TYR 82 6.885 -7.784 3.372 633 HD2 TYR 82 2HD TYR 82 4.596 -11.318 2.760 634 HE1 TYR 82 1HE TYR 82 8.864 -8.894 2.424 635 HE2 TYR 82 2HE TYR 82 6.570 -12.439 1.812 636 HH TYR 82 HH TYR 82 9.649 -11.363 2.180 637 H TYR 83 H TYR 83 5.475 -6.136 5.832 638 HA TYR 83 HA TYR 83 2.922 -4.962 6.557 639 HB2 TYR 83 1HB TYR 83 5.630 -3.626 6.565 640 HB3 TYR 83 2HB TYR 83 4.188 -3.134 7.446 641 HD1 TYR 83 1HD TYR 83 3.319 -5.749 8.559 642 HD2 TYR 83 2HD TYR 83 7.193 -4.015 8.261 643 HE1 TYR 83 1HE TYR 83 4.052 -7.068 10.502 644 HE2 TYR 83 2HE TYR 83 7.937 -5.330 10.202 645 HH TYR 83 HH TYR 83 6.430 -6.464 12.342 646 H PHE 84 H PHE 84 1.830 -3.446 5.431 647 HA PHE 84 HA PHE 84 2.944 -2.667 2.819 648 HB2 PHE 84 1HB PHE 84 0.097 -3.110 3.716 649 HB3 PHE 84 2HB PHE 84 0.497 -2.281 2.215 650 HD1 PHE 84 1HD PHE 84 1.480 -3.485 0.350 651 HD2 PHE 84 2HD PHE 84 0.419 -5.481 3.957 652 HE1 PHE 84 1HE PHE 84 1.650 -5.652 -0.803 653 HE2 PHE 84 2HE PHE 84 0.589 -7.651 2.810 654 HZ PHE 84 HZ PHE 84 1.206 -7.739 0.427 655 H ARG 85 H ARG 85 3.032 -0.552 2.245 656 HA ARG 85 HA ARG 85 1.663 1.467 3.812 657 HB2 ARG 85 1HB ARG 85 4.616 1.026 3.916 658 HB3 ARG 85 2HB ARG 85 4.008 2.675 3.959 659 HG2 ARG 85 1HG ARG 85 2.549 1.961 5.888 660 HG3 ARG 85 2HG ARG 85 3.476 0.459 5.914 661 HD2 ARG 85 1HD ARG 85 5.373 1.481 6.673 662 HD3 ARG 85 2HD ARG 85 4.976 3.022 5.912 663 HE ARG 85 HE ARG 85 3.101 2.806 7.838 664 HH11 ARG 85 1HH1 ARG 85 6.569 2.498 7.861 665 HH12 ARG 85 2HH1 ARG 85 6.738 3.057 9.492 666 HH21 ARG 85 1HH2 ARG 85 3.311 3.544 9.986 667 HH22 ARG 85 2HH2 ARG 85 4.884 3.651 10.700 668 H ILE 86 H ILE 86 0.676 2.457 2.161 669 HA ILE 86 HA ILE 86 2.305 3.224 -0.172 670 HB ILE 86 HB ILE 86 0.468 1.748 -0.782 671 HG12 ILE 86 1HG1 ILE 86 -0.201 4.571 -1.630 672 HG13 ILE 86 2HG1 ILE 86 1.163 3.660 -2.269 673 HG21 ILE 86 1HG2 ILE 86 -1.533 1.833 0.176 674 HG22 ILE 86 2HG2 ILE 86 -0.932 3.134 1.203 675 HG23 ILE 86 3HG2 ILE 86 -1.750 3.513 -0.312 676 HD11 ILE 86 3HD1 ILE 86 -0.314 3.132 -3.873 677 HD12 ILE 86 1HD1 ILE 86 -0.815 1.902 -2.713 678 HD13 ILE 86 2HD1 ILE 86 -1.710 3.418 -2.835 679 H GLN 87 H GLN 87 1.689 5.282 -1.212 680 HA GLN 87 HA GLN 87 0.396 7.226 0.538 681 HB2 GLN 87 1HB GLN 87 2.283 8.823 0.255 682 HB3 GLN 87 2HB GLN 87 2.701 7.408 1.212 683 HG2 GLN 87 1HG GLN 87 3.665 6.420 -0.901 684 HG3 GLN 87 2HG GLN 87 3.474 8.017 -1.623 685 HE21 GLN 87 1HE2 GLN 87 4.011 9.166 1.127 686 HE22 GLN 87 2HE2 GLN 87 5.732 9.119 1.271 687 H ALA 88 H ALA 88 0.512 9.482 -0.670 688 HA ALA 88 HA ALA 88 -0.174 8.969 -3.492 689 HB1 ALA 88 3HB ALA 88 -2.105 10.074 -3.275 690 HB2 ALA 88 1HB ALA 88 -1.880 9.850 -1.540 691 HB3 ALA 88 2HB ALA 88 -1.370 11.354 -2.309 692 H ARG 89 H ARG 89 0.683 10.270 -5.034 693 HA ARG 89 HA ARG 89 2.295 12.567 -4.150 694 HB2 ARG 89 1HB ARG 89 3.900 10.862 -4.569 695 HB3 ARG 89 2HB ARG 89 3.087 10.364 -6.047 696 HG2 ARG 89 1HG ARG 89 3.701 12.487 -7.098 697 HG3 ARG 89 2HG ARG 89 4.530 12.971 -5.617 698 HD2 ARG 89 1HD ARG 89 6.187 11.339 -5.875 699 HD3 ARG 89 2HD ARG 89 5.229 10.425 -7.038 700 HE ARG 89 HE ARG 89 5.644 12.816 -8.264 701 HH11 ARG 89 1HH1 ARG 89 7.724 10.422 -6.828 702 HH12 ARG 89 2HH1 ARG 89 9.056 10.756 -7.884 703 HH21 ARG 89 1HH2 ARG 89 7.391 13.265 -9.662 704 HH22 ARG 89 2HH2 ARG 89 8.865 12.373 -9.495 705 H ASN 90 H ASN 90 1.801 14.389 -5.175 706 HA ASN 90 HA ASN 90 0.320 14.200 -7.713 707 HB2 ASN 90 1HB ASN 90 -0.562 16.467 -7.131 708 HB3 ASN 90 2HB ASN 90 -1.035 15.209 -5.993 709 HD21 ASN 90 1HD2 ASN 90 -1.431 16.834 -4.444 710 HD22 ASN 90 2HD2 ASN 90 -0.131 17.577 -3.582 711 H SER 91 H SER 91 0.577 16.241 -9.089 712 HA SER 91 HA SER 91 2.994 16.429 -10.236 713 HB2 SER 91 1HB SER 91 0.786 17.663 -10.816 714 HB3 SER 91 2HB SER 91 1.441 18.974 -9.835 715 HG SER 91 HG SER 91 1.906 18.912 -12.217 716 H LYS 92 H LYS 92 2.040 18.014 -7.262 717 HA LYS 92 HA LYS 92 4.354 19.673 -7.055 718 HB2 LYS 92 1HB LYS 92 2.871 18.856 -4.611 719 HB3 LYS 92 2HB LYS 92 3.444 20.446 -5.099 720 HG2 LYS 92 1HG LYS 92 1.569 20.050 -6.975 721 HG3 LYS 92 2HG LYS 92 0.884 19.096 -5.657 722 HD2 LYS 92 1HD LYS 92 0.011 21.307 -5.466 723 HD3 LYS 92 2HD LYS 92 1.194 21.094 -4.173 724 HE2 LYS 92 1HE LYS 92 1.868 23.127 -4.945 725 HE3 LYS 92 2HE LYS 92 2.821 22.097 -6.012 726 HZ1 LYS 92 3HZ LYS 92 1.787 23.732 -7.348 727 HZ2 LYS 92 1HZ LYS 92 0.272 23.475 -6.640 728 HZ3 LYS 92 2HZ LYS 92 0.952 22.290 -7.637 729 H GLY 93 H GLY 93 3.362 17.010 -4.896 730 HA2 GLY 93 1HA GLY 93 5.895 15.681 -5.137 731 HA3 GLY 93 2HA GLY 93 5.751 16.578 -3.633 732 H VAL 94 H VAL 94 5.899 14.600 -2.477 733 HA VAL 94 HA VAL 94 3.424 12.998 -2.571 734 HB VAL 94 HB VAL 94 5.327 11.656 -3.286 735 HG11 VAL 94 1HG1 VAL 94 6.736 13.136 -1.381 736 HG12 VAL 94 2HG1 VAL 94 6.741 11.475 -0.785 737 HG13 VAL 94 3HG1 VAL 94 7.356 11.837 -2.398 738 HG21 VAL 94 3HG2 VAL 94 4.642 9.831 -2.156 739 HG22 VAL 94 1HG2 VAL 94 4.966 10.557 -0.582 740 HG23 VAL 94 2HG2 VAL 94 3.476 10.945 -1.441 741 H GLY 95 H GLY 95 2.507 12.348 -0.608 742 HA2 GLY 95 1HA GLY 95 3.330 14.005 1.679 743 HA3 GLY 95 2HA GLY 95 1.732 13.313 1.442 744 HA PRO 96 HA PRO 96 3.845 10.676 4.562 745 HB2 PRO 96 1HB PRO 96 1.617 10.297 6.065 746 HB3 PRO 96 2HB PRO 96 2.671 11.703 6.249 747 HG2 PRO 96 1HG PRO 96 0.079 11.460 4.771 748 HG3 PRO 96 2HG PRO 96 0.647 12.767 5.826 749 HD2 PRO 96 1HD PRO 96 0.739 12.931 3.125 750 HD3 PRO 96 2HD PRO 96 1.945 13.710 4.171 751 H LEU 97 H LEU 97 3.047 8.479 5.415 752 HA LEU 97 HA LEU 97 1.674 7.067 3.225 753 HB2 LEU 97 1HB LEU 97 3.672 5.892 5.145 754 HB3 LEU 97 2HB LEU 97 3.004 5.138 3.699 755 HG LEU 97 HG LEU 97 4.178 7.240 2.552 756 HD11 LEU 97 1HD1 LEU 97 6.494 7.259 3.814 757 HD12 LEU 97 2HD1 LEU 97 5.469 6.931 5.211 758 HD13 LEU 97 3HD1 LEU 97 5.201 8.380 4.242 759 HD21 LEU 97 3HD2 LEU 97 5.722 4.794 3.397 760 HD22 LEU 97 1HD2 LEU 97 5.983 5.786 1.962 761 HD23 LEU 97 2HD2 LEU 97 4.520 4.810 2.105 762 H SER 98 H SER 98 0.576 5.030 3.903 763 HA SER 98 HA SER 98 -1.121 5.584 6.169 764 HB2 SER 98 1HB SER 98 -2.372 3.592 5.434 765 HB3 SER 98 2HB SER 98 -2.086 4.699 4.092 766 HG SER 98 HG SER 98 -0.808 2.244 4.657 767 H ASP 99 H ASP 99 -1.712 3.655 7.615 768 HA ASP 99 HA ASP 99 0.590 2.935 9.097 769 HB2 ASP 99 1HB ASP 99 -2.324 2.279 9.259 770 HB3 ASP 99 2HB ASP 99 -1.183 1.340 10.217 771 HA PRO 100 HA PRO 100 1.876 -0.781 7.133 772 HB2 PRO 100 1HB PRO 100 3.042 -2.035 9.239 773 HB3 PRO 100 2HB PRO 100 3.768 -0.642 8.428 774 HG2 PRO 100 1HG PRO 100 2.193 -0.745 10.972 775 HG3 PRO 100 2HG PRO 100 3.673 0.161 10.609 776 HD2 PRO 100 1HD PRO 100 1.221 1.310 10.597 777 HD3 PRO 100 2HD PRO 100 2.528 1.838 9.518 778 H ILE 101 H ILE 101 0.196 -2.052 6.526 779 HA ILE 101 HA ILE 101 -1.520 -3.334 8.455 780 HB ILE 101 HB ILE 101 -1.381 -3.801 5.475 781 HG12 ILE 101 1HG1 ILE 101 -3.047 -1.852 7.080 782 HG13 ILE 101 2HG1 ILE 101 -1.798 -1.447 5.908 783 HG21 ILE 101 1HG2 ILE 101 -3.835 -4.155 7.121 784 HG22 ILE 101 2HG2 ILE 101 -3.347 -4.966 5.634 785 HG23 ILE 101 3HG2 ILE 101 -2.592 -5.405 7.167 786 HD11 ILE 101 3HD1 ILE 101 -3.483 -2.987 4.423 787 HD12 ILE 101 1HD1 ILE 101 -4.598 -2.154 5.505 788 HD13 ILE 101 2HD1 ILE 101 -3.498 -1.225 4.486 789 H LEU 102 H LEU 102 -1.429 -5.382 9.182 790 HA LEU 102 HA LEU 102 0.905 -6.968 8.445 791 HB2 LEU 102 1HB LEU 102 -0.957 -6.869 10.752 792 HB3 LEU 102 2HB LEU 102 -0.207 -8.420 10.379 793 HG LEU 102 HG LEU 102 2.022 -7.226 10.520 794 HD11 LEU 102 1HD1 LEU 102 0.893 -4.944 10.328 795 HD12 LEU 102 2HD1 LEU 102 2.184 -5.117 11.517 796 HD13 LEU 102 3HD1 LEU 102 0.499 -5.133 12.037 797 HD21 LEU 102 3HD2 LEU 102 1.822 -7.078 13.098 798 HD22 LEU 102 1HD2 LEU 102 1.567 -8.631 12.303 799 HD23 LEU 102 2HD2 LEU 102 0.183 -7.676 12.838 800 H PHE 103 H PHE 103 0.499 -8.036 6.579 801 HA PHE 103 HA PHE 103 -1.874 -9.784 6.535 802 HB2 PHE 103 1HB PHE 103 -2.284 -8.276 4.797 803 HB3 PHE 103 2HB PHE 103 -0.584 -8.182 4.349 804 HD1 PHE 103 1HD PHE 103 -3.640 -10.208 4.134 805 HD2 PHE 103 2HD PHE 103 0.390 -9.753 2.842 806 HE1 PHE 103 1HE PHE 103 -4.017 -11.889 2.378 807 HE2 PHE 103 2HE PHE 103 0.019 -11.432 1.083 808 HZ PHE 103 HZ PHE 103 -2.187 -12.502 0.848 809 H ARG 104 H ARG 104 -1.238 -11.796 6.941 810 HA ARG 104 HA ARG 104 1.424 -12.706 6.328 811 HB2 ARG 104 1HB ARG 104 -0.197 -13.365 8.308 812 HB3 ARG 104 2HB ARG 104 -0.754 -14.574 7.159 813 HG2 ARG 104 1HG ARG 104 1.229 -15.721 7.191 814 HG3 ARG 104 2HG ARG 104 2.168 -14.299 7.649 815 HD2 ARG 104 1HD ARG 104 1.314 -14.395 9.895 816 HD3 ARG 104 2HD ARG 104 0.205 -15.695 9.461 817 HE ARG 104 HE ARG 104 2.831 -16.509 8.897 818 HH11 ARG 104 1HH1 ARG 104 0.767 -15.812 11.612 819 HH12 ARG 104 2HH1 ARG 104 1.586 -16.902 12.681 820 HH21 ARG 104 1HH2 ARG 104 3.917 -17.948 10.294 821 HH22 ARG 104 2HH2 ARG 104 3.378 -18.117 11.930 822 H THR 105 H THR 105 2.046 -13.537 4.456 823 HA THR 105 HA THR 105 0.311 -13.958 2.283 824 HB THR 105 HB THR 105 2.346 -15.212 1.306 825 HG1 THR 105 1HG THR 105 4.261 -14.331 2.671 826 HG21 THR 105 3HG2 THR 105 3.466 -13.150 0.801 827 HG22 THR 105 1HG2 THR 105 2.783 -12.372 2.228 828 HG23 THR 105 2HG2 THR 105 1.735 -12.824 0.883 829 H LEU 106 H LEU 106 0.189 -16.051 1.049 830 HA LEU 106 HA LEU 106 -1.015 -18.036 2.679 831 HB2 LEU 106 1HB LEU 106 -0.459 -17.670 -0.204 832 HB3 LEU 106 2HB LEU 106 -0.719 -19.323 0.349 833 HG LEU 106 HG LEU 106 -2.652 -17.016 0.535 834 HD11 LEU 106 1HD1 LEU 106 -2.531 -19.533 -1.097 835 HD12 LEU 106 2HD1 LEU 106 -2.693 -17.867 -1.650 836 HD13 LEU 106 3HD1 LEU 106 -4.038 -18.657 -0.827 837 HD21 LEU 106 3HD2 LEU 106 -3.961 -19.365 1.224 838 HD22 LEU 106 1HD2 LEU 106 -3.520 -18.044 2.306 839 HD23 LEU 106 2HD2 LEU 106 -2.442 -19.428 2.119 840 H LYS 107 H LYS 107 -0.407 -20.383 2.527 841 HA LYS 107 HA LYS 107 2.513 -20.746 2.518 842 HB2 LYS 107 1HB LYS 107 0.607 -21.970 4.521 843 HB3 LYS 107 2HB LYS 107 2.353 -22.176 4.479 844 HG2 LYS 107 1HG LYS 107 2.170 -20.588 6.102 845 HG3 LYS 107 2HG LYS 107 2.343 -19.556 4.680 846 HD2 LYS 107 1HD LYS 107 0.545 -18.643 5.895 847 HD3 LYS 107 2HD LYS 107 -0.200 -19.546 4.573 848 HE2 LYS 107 1HE LYS 107 -1.421 -20.037 6.562 849 HE3 LYS 107 2HE LYS 107 -0.474 -21.466 6.152 850 HZ1 LYS 107 3HZ LYS 107 0.246 -19.439 8.201 851 HZ2 LYS 107 1HZ LYS 107 1.167 -20.801 7.802 852 HZ3 LYS 107 2HZ LYS 107 -0.357 -20.989 8.511 853 H VAL 108 H VAL 108 2.692 -21.859 0.636 854 HA VAL 108 HA VAL 108 0.929 -24.150 0.170 855 HB VAL 108 HB VAL 108 1.289 -22.532 -1.678 856 HG11 VAL 108 1HG1 VAL 108 3.891 -22.513 -0.895 857 HG12 VAL 108 2HG1 VAL 108 3.962 -23.565 -2.310 858 HG13 VAL 108 3HG1 VAL 108 3.309 -21.932 -2.455 859 HG21 VAL 108 3HG2 VAL 108 1.070 -24.162 -3.220 860 HG22 VAL 108 1HG2 VAL 108 2.559 -24.970 -2.731 861 HG23 VAL 108 2HG2 VAL 108 1.076 -25.223 -1.812 862 H SER 109 H SER 109 4.061 -23.400 1.285 863 HA SER 109 HA SER 109 4.995 -26.145 0.791 864 HB2 SER 109 1HB SER 109 7.256 -25.229 1.382 865 HB3 SER 109 2HB SER 109 6.541 -24.499 -0.055 866 HG SER 109 HG SER 109 7.073 -22.740 1.019 867 H GLY 110 H GLY 110 3.490 -26.782 2.553 868 HA2 GLY 110 1HA GLY 110 4.920 -26.677 5.112 869 HA3 GLY 110 2HA GLY 110 3.229 -26.197 5.084 870 HA PRO 111 HA PRO 111 3.582 -30.787 5.908 871 HB2 PRO 111 1HB PRO 111 2.147 -30.759 8.212 872 HB3 PRO 111 2HB PRO 111 3.896 -30.504 8.166 873 HG2 PRO 111 1HG PRO 111 1.693 -28.486 8.352 874 HG3 PRO 111 2HG PRO 111 3.230 -28.549 9.234 875 HD2 PRO 111 1HD PRO 111 2.843 -26.935 7.095 876 HD3 PRO 111 2HD PRO 111 4.420 -27.654 7.475 877 H SER 112 H SER 112 2.140 -32.018 4.888 878 HA SER 112 HA SER 112 0.239 -32.509 3.682 879 HB2 SER 112 1HB SER 112 -0.047 -33.210 6.212 880 HB3 SER 112 2HB SER 112 -1.308 -31.978 6.188 881 HG SER 112 HG SER 112 -1.275 -33.829 4.105 882 H SER 113 H SER 113 0.872 -29.879 3.210 883 HA SER 113 HA SER 113 -1.059 -27.961 3.766 884 HB2 SER 113 1HB SER 113 -0.119 -26.675 2.020 885 HB3 SER 113 2HB SER 113 1.212 -27.674 2.602 886 HG SER 113 HG SER 113 0.303 -29.163 0.815 887 H GLY 114 H GLY 114 -3.035 -27.471 2.978 888 HA2 GLY 114 1HA GLY 114 -3.993 -28.759 0.542 889 HA3 GLY 114 2HA GLY 114 -4.836 -29.173 2.028 Start of MODEL 18 1 H1 GLY 1 H GLY 1 11.020 32.024 2.528 2 HA2 GLY 1 1HA GLY 1 9.176 33.821 2.309 3 HA3 GLY 1 2HA GLY 1 10.176 33.531 0.893 4 H SER 2 H SER 2 9.359 31.715 -0.554 5 HA SER 2 HA SER 2 6.425 31.915 -0.750 6 HB2 SER 2 1HB SER 2 8.363 31.516 -3.039 7 HB3 SER 2 2HB SER 2 6.629 31.819 -3.154 8 HG SER 2 HG SER 2 7.462 33.803 -1.774 9 H SER 3 H SER 3 5.378 30.077 -0.436 10 HA SER 3 HA SER 3 6.835 27.548 -0.633 11 HB2 SER 3 1HB SER 3 4.072 28.063 0.492 12 HB3 SER 3 2HB SER 3 5.020 26.585 0.660 13 HG SER 3 HG SER 3 5.068 28.117 2.479 14 H GLY 4 H GLY 4 6.874 27.271 -2.878 15 HA2 GLY 4 1HA GLY 4 4.615 27.480 -4.557 16 HA3 GLY 4 2HA GLY 4 6.088 26.596 -4.926 17 H SER 5 H SER 5 6.201 24.389 -4.517 18 HA SER 5 HA SER 5 3.860 22.921 -4.843 19 HB2 SER 5 1HB SER 5 6.612 22.135 -3.891 20 HB3 SER 5 2HB SER 5 5.318 20.952 -4.083 21 HG SER 5 HG SER 5 5.879 22.700 -6.199 22 H SER 6 H SER 6 2.680 21.565 -3.450 23 HA SER 6 HA SER 6 2.995 22.132 -0.578 24 HB2 SER 6 1HB SER 6 0.529 22.285 -2.281 25 HB3 SER 6 2HB SER 6 0.391 21.880 -0.570 26 HG SER 6 HG SER 6 1.754 23.861 -0.285 27 H GLY 7 H GLY 7 1.626 19.945 -3.014 28 HA2 GLY 7 1HA GLY 7 1.492 17.648 -3.042 29 HA3 GLY 7 2HA GLY 7 2.569 17.632 -1.654 30 HA PRO 8 HA PRO 8 -1.902 16.461 -0.541 31 HB2 PRO 8 1HB PRO 8 -1.519 13.797 -0.183 32 HB3 PRO 8 2HB PRO 8 -2.001 14.498 -1.732 33 HG2 PRO 8 1HG PRO 8 0.713 13.644 -0.802 34 HG3 PRO 8 2HG PRO 8 -0.063 13.387 -2.376 35 HD2 PRO 8 1HD PRO 8 1.775 15.331 -1.957 36 HD3 PRO 8 2HD PRO 8 0.437 15.513 -3.111 37 H THR 9 H THR 9 -2.429 16.586 1.557 38 HA THR 9 HA THR 9 -0.318 16.108 3.540 39 HB THR 9 HB THR 9 -1.844 17.417 5.079 40 HG1 THR 9 1HG THR 9 -3.778 17.745 4.289 41 HG21 THR 9 3HG2 THR 9 0.019 18.272 3.232 42 HG22 THR 9 1HG2 THR 9 -0.644 19.234 4.552 43 HG23 THR 9 2HG2 THR 9 -1.356 19.336 2.941 44 H SER 10 H SER 10 -2.194 14.093 2.263 45 HA SER 10 HA SER 10 -2.825 12.696 4.719 46 HB2 SER 10 1HB SER 10 -4.855 14.105 4.192 47 HB3 SER 10 2HB SER 10 -5.036 13.167 2.709 48 HG SER 10 HG SER 10 -5.176 12.244 5.384 49 H ALA 11 H ALA 11 -2.788 10.503 4.487 50 HA ALA 11 HA ALA 11 -1.772 9.492 1.974 51 HB1 ALA 11 3HB ALA 11 -1.636 8.717 4.728 52 HB2 ALA 11 1HB ALA 11 -2.184 7.355 3.750 53 HB3 ALA 11 2HB ALA 11 -0.665 8.164 3.364 54 HA PRO 12 HA PRO 12 -5.362 7.544 0.371 55 HB2 PRO 12 1HB PRO 12 -4.536 5.038 -0.264 56 HB3 PRO 12 2HB PRO 12 -4.032 6.473 -1.165 57 HG2 PRO 12 1HG PRO 12 -2.567 4.961 0.963 58 HG3 PRO 12 2HG PRO 12 -1.953 5.621 -0.564 59 HD2 PRO 12 1HD PRO 12 -1.586 6.865 1.812 60 HD3 PRO 12 2HD PRO 12 -1.768 7.755 0.287 61 H LYS 13 H LYS 13 -6.928 5.759 0.608 62 HA LYS 13 HA LYS 13 -6.792 4.458 3.245 63 HB2 LYS 13 1HB LYS 13 -9.281 4.829 3.404 64 HB3 LYS 13 2HB LYS 13 -8.295 6.278 3.556 65 HG2 LYS 13 1HG LYS 13 -8.728 6.702 1.118 66 HG3 LYS 13 2HG LYS 13 -9.906 5.389 1.180 67 HD2 LYS 13 1HD LYS 13 -11.117 7.408 1.491 68 HD3 LYS 13 2HD LYS 13 -11.017 6.631 3.073 69 HE2 LYS 13 1HE LYS 13 -10.581 8.998 3.293 70 HE3 LYS 13 2HE LYS 13 -9.112 8.087 3.638 71 HZ1 LYS 13 3HZ LYS 13 -9.632 9.995 1.557 72 HZ2 LYS 13 1HZ LYS 13 -8.937 8.566 0.977 73 HZ3 LYS 13 2HZ LYS 13 -8.156 9.456 2.184 74 H ASP 14 H ASP 14 -8.964 2.932 3.266 75 HA ASP 14 HA ASP 14 -9.748 0.909 2.576 76 HB2 ASP 14 1HB ASP 14 -10.751 2.524 0.863 77 HB3 ASP 14 2HB ASP 14 -9.499 1.958 -0.239 78 H LEU 15 H LEU 15 -6.858 1.266 2.805 79 HA LEU 15 HA LEU 15 -5.590 -0.161 0.679 80 HB2 LEU 15 1HB LEU 15 -4.312 1.385 1.997 81 HB3 LEU 15 2HB LEU 15 -4.700 0.512 3.477 82 HG LEU 15 HG LEU 15 -3.363 -1.399 2.662 83 HD11 LEU 15 1HD1 LEU 15 -3.686 -0.510 0.202 84 HD12 LEU 15 2HD1 LEU 15 -2.264 -1.444 0.664 85 HD13 LEU 15 3HD1 LEU 15 -2.165 0.313 0.549 86 HD21 LEU 15 3HD2 LEU 15 -1.692 -0.486 3.798 87 HD22 LEU 15 1HD2 LEU 15 -2.459 1.093 3.622 88 HD23 LEU 15 2HD2 LEU 15 -1.284 0.546 2.425 89 H THR 16 H THR 16 -6.258 -2.192 0.308 90 HA THR 16 HA THR 16 -6.184 -4.076 2.573 91 HB THR 16 HB THR 16 -8.068 -4.234 0.212 92 HG1 THR 16 1HG THR 16 -9.130 -2.831 1.409 93 HG21 THR 16 3HG2 THR 16 -8.079 -6.408 0.789 94 HG22 THR 16 1HG2 THR 16 -9.045 -5.876 2.165 95 HG23 THR 16 2HG2 THR 16 -7.304 -6.098 2.342 96 H VAL 17 H VAL 17 -5.346 -6.125 2.174 97 HA VAL 17 HA VAL 17 -4.084 -6.515 -0.459 98 HB VAL 17 HB VAL 17 -2.842 -7.171 2.217 99 HG11 VAL 17 1HG1 VAL 17 -2.387 -8.734 0.262 100 HG12 VAL 17 2HG1 VAL 17 -1.540 -7.377 -0.484 101 HG13 VAL 17 3HG1 VAL 17 -0.982 -8.026 1.059 102 HG21 VAL 17 3HG2 VAL 17 -1.107 -5.497 1.010 103 HG22 VAL 17 1HG2 VAL 17 -2.634 -4.861 0.398 104 HG23 VAL 17 2HG2 VAL 17 -2.356 -4.967 2.136 105 H ILE 18 H ILE 18 -4.866 -8.271 -1.401 106 HA ILE 18 HA ILE 18 -5.580 -10.578 0.289 107 HB ILE 18 HB ILE 18 -7.303 -11.156 -1.408 108 HG12 ILE 18 1HG1 ILE 18 -6.995 -8.336 -2.425 109 HG13 ILE 18 2HG1 ILE 18 -6.174 -9.692 -3.191 110 HG21 ILE 18 1HG2 ILE 18 -8.961 -9.635 -0.593 111 HG22 ILE 18 2HG2 ILE 18 -7.808 -9.937 0.706 112 HG23 ILE 18 3HG2 ILE 18 -7.735 -8.429 -0.205 113 HD11 ILE 18 3HD1 ILE 18 -8.367 -8.963 -4.205 114 HD12 ILE 18 1HD1 ILE 18 -8.200 -10.680 -3.843 115 HD13 ILE 18 2HD1 ILE 18 -9.143 -9.640 -2.774 116 H THR 19 H THR 19 -5.005 -12.601 -0.426 117 HA THR 19 HA THR 19 -2.806 -12.731 -2.250 118 HB THR 19 HB THR 19 -2.902 -14.195 -0.284 119 HG1 THR 19 1HG THR 19 -2.407 -14.971 -2.815 120 HG21 THR 19 3HG2 THR 19 -4.461 -15.985 -0.077 121 HG22 THR 19 1HG2 THR 19 -5.113 -15.689 -1.688 122 HG23 THR 19 2HG2 THR 19 -5.400 -14.526 -0.394 123 H ARG 20 H ARG 20 -2.930 -12.897 -4.382 124 HA ARG 20 HA ARG 20 -5.145 -12.957 -5.944 125 HB2 ARG 20 1HB ARG 20 -2.613 -12.788 -6.565 126 HB3 ARG 20 2HB ARG 20 -2.747 -14.521 -6.832 127 HG2 ARG 20 1HG ARG 20 -3.218 -13.820 -8.928 128 HG3 ARG 20 2HG ARG 20 -4.849 -13.737 -8.259 129 HD2 ARG 20 1HD ARG 20 -4.066 -11.302 -7.595 130 HD3 ARG 20 2HD ARG 20 -2.954 -11.548 -8.940 131 HE ARG 20 HE ARG 20 -5.793 -11.137 -9.091 132 HH11 ARG 20 1HH1 ARG 20 -3.006 -12.472 -10.693 133 HH12 ARG 20 2HH1 ARG 20 -3.705 -12.374 -12.275 134 HH21 ARG 20 1HH2 ARG 20 -6.725 -11.003 -11.169 135 HH22 ARG 20 2HH2 ARG 20 -5.821 -11.537 -12.545 136 H GLU 21 H GLU 21 -6.495 -14.455 -6.862 137 HA GLU 21 HA GLU 21 -6.831 -16.917 -5.455 138 HB2 GLU 21 1HB GLU 21 -8.810 -17.196 -6.695 139 HB3 GLU 21 2HB GLU 21 -8.660 -15.458 -6.480 140 HG2 GLU 21 1HG GLU 21 -7.555 -15.435 -8.773 141 HG3 GLU 21 2HG GLU 21 -8.162 -17.080 -8.949 142 H GLY 22 H GLY 22 -5.121 -15.965 -8.276 143 HA2 GLY 22 1HA GLY 22 -4.840 -18.781 -9.110 144 HA3 GLY 22 2HA GLY 22 -4.576 -17.395 -10.157 145 H LYS 23 H LYS 23 -3.218 -16.320 -7.492 146 HA LYS 23 HA LYS 23 -0.694 -17.784 -7.752 147 HB2 LYS 23 1HB LYS 23 -0.964 -14.782 -7.993 148 HB3 LYS 23 2HB LYS 23 0.560 -15.651 -7.875 149 HG2 LYS 23 1HG LYS 23 0.303 -16.616 -9.994 150 HG3 LYS 23 2HG LYS 23 -1.414 -16.211 -10.063 151 HD2 LYS 23 1HD LYS 23 -0.958 -13.917 -10.389 152 HD3 LYS 23 2HD LYS 23 0.736 -14.110 -9.932 153 HE2 LYS 23 1HE LYS 23 0.967 -14.044 -12.199 154 HE3 LYS 23 2HE LYS 23 0.719 -15.777 -11.988 155 HZ1 LYS 23 3HZ LYS 23 -1.802 -14.744 -12.210 156 HZ2 LYS 23 1HZ LYS 23 -0.945 -15.559 -13.420 157 HZ3 LYS 23 2HZ LYS 23 -0.909 -13.870 -13.350 158 HA PRO 24 HA PRO 24 -1.234 -17.386 -3.328 159 HB2 PRO 24 1HB PRO 24 0.867 -18.977 -2.677 160 HB3 PRO 24 2HB PRO 24 -0.694 -19.616 -3.205 161 HG2 PRO 24 1HG PRO 24 1.823 -19.227 -4.778 162 HG3 PRO 24 2HG PRO 24 0.702 -20.601 -4.783 163 HD2 PRO 24 1HD PRO 24 0.680 -18.696 -6.707 164 HD3 PRO 24 2HD PRO 24 -0.791 -19.539 -6.181 165 H ARG 25 H ARG 25 1.831 -16.978 -5.049 166 HA ARG 25 HA ARG 25 2.992 -15.456 -2.875 167 HB2 ARG 25 1HB ARG 25 4.006 -16.081 -5.654 168 HB3 ARG 25 2HB ARG 25 4.923 -15.211 -4.431 169 HG2 ARG 25 1HG ARG 25 5.329 -17.082 -3.200 170 HG3 ARG 25 2HG ARG 25 3.837 -17.875 -3.710 171 HD2 ARG 25 1HD ARG 25 5.918 -17.363 -5.768 172 HD3 ARG 25 2HD ARG 25 6.219 -18.643 -4.593 173 HE ARG 25 HE ARG 25 3.675 -19.090 -5.531 174 HH11 ARG 25 1HH1 ARG 25 6.861 -18.855 -6.915 175 HH12 ARG 25 2HH1 ARG 25 6.519 -19.948 -8.215 176 HH21 ARG 25 1HH2 ARG 25 3.212 -20.530 -7.238 177 HH22 ARG 25 2HH2 ARG 25 4.443 -20.900 -8.398 178 H ALA 26 H ALA 26 0.732 -14.746 -5.098 179 HA ALA 26 HA ALA 26 1.692 -11.994 -5.521 180 HB1 ALA 26 3HB ALA 26 0.737 -11.974 -7.557 181 HB2 ALA 26 1HB ALA 26 0.825 -13.730 -7.405 182 HB3 ALA 26 2HB ALA 26 -0.674 -12.885 -7.020 183 H VAL 27 H VAL 27 0.474 -10.267 -4.874 184 HA VAL 27 HA VAL 27 -2.114 -10.800 -3.596 185 HB VAL 27 HB VAL 27 -1.498 -9.228 -1.751 186 HG11 VAL 27 1HG1 VAL 27 -0.528 -11.951 -2.151 187 HG12 VAL 27 2HG1 VAL 27 0.363 -11.061 -0.915 188 HG13 VAL 27 3HG1 VAL 27 -1.387 -11.242 -0.784 189 HG21 VAL 27 3HG2 VAL 27 0.375 -8.118 -2.873 190 HG22 VAL 27 1HG2 VAL 27 0.863 -8.792 -1.318 191 HG23 VAL 27 2HG2 VAL 27 1.301 -9.618 -2.813 192 H ILE 28 H ILE 28 -3.636 -9.309 -4.019 193 HA ILE 28 HA ILE 28 -2.900 -7.077 -5.742 194 HB ILE 28 HB ILE 28 -5.691 -7.849 -4.915 195 HG12 ILE 28 1HG1 ILE 28 -4.556 -9.821 -5.866 196 HG13 ILE 28 2HG1 ILE 28 -5.818 -9.220 -6.936 197 HG21 ILE 28 1HG2 ILE 28 -5.821 -6.919 -7.458 198 HG22 ILE 28 2HG2 ILE 28 -6.052 -5.926 -6.020 199 HG23 ILE 28 3HG2 ILE 28 -4.480 -5.969 -6.817 200 HD11 ILE 28 3HD1 ILE 28 -2.995 -9.546 -7.412 201 HD12 ILE 28 1HD1 ILE 28 -4.309 -9.270 -8.554 202 HD13 ILE 28 2HD1 ILE 28 -3.525 -7.902 -7.763 203 H VAL 29 H VAL 29 -2.048 -5.502 -4.447 204 HA VAL 29 HA VAL 29 -3.378 -4.697 -2.007 205 HB VAL 29 HB VAL 29 -1.029 -3.421 -3.416 206 HG11 VAL 29 1HG1 VAL 29 -0.963 -2.948 -0.649 207 HG12 VAL 29 2HG1 VAL 29 -1.257 -1.779 -1.938 208 HG13 VAL 29 3HG1 VAL 29 -2.613 -2.605 -1.169 209 HG21 VAL 29 3HG2 VAL 29 -0.726 -5.030 -0.939 210 HG22 VAL 29 1HG2 VAL 29 -0.963 -5.892 -2.459 211 HG23 VAL 29 2HG2 VAL 29 0.399 -4.786 -2.275 212 H SER 30 H SER 30 -5.251 -3.641 -2.271 213 HA SER 30 HA SER 30 -5.474 -1.618 -4.377 214 HB2 SER 30 1HB SER 30 -7.830 -1.775 -4.139 215 HB3 SER 30 2HB SER 30 -7.241 -3.434 -4.027 216 HG SER 30 HG SER 30 -8.525 -3.300 -2.308 217 H TRP 31 H TRP 31 -6.889 0.328 -3.695 218 HA TRP 31 HA TRP 31 -6.842 1.237 -1.026 219 HB2 TRP 31 1HB TRP 31 -5.108 2.960 -1.181 220 HB3 TRP 31 2HB TRP 31 -4.417 1.356 -1.411 221 HD1 TRP 31 HD TRP 31 -5.249 4.559 -3.358 222 HE1 TRP 31 1HE TRP 31 -3.883 4.564 -5.539 223 HE3 TRP 31 3HE TRP 31 -3.251 -0.139 -3.076 224 HZ2 TRP 31 2HZ TRP 31 -2.184 2.809 -6.954 225 HZ3 TRP 31 3HZ TRP 31 -1.766 -0.899 -4.884 226 HH2 TRP 31 HH TRP 31 -1.245 0.546 -6.783 227 H GLN 32 H GLN 32 -6.898 3.879 -1.174 228 HA GLN 32 HA GLN 32 -8.544 4.631 -3.477 229 HB2 GLN 32 1HB GLN 32 -9.416 4.455 -0.652 230 HB3 GLN 32 2HB GLN 32 -9.917 5.893 -1.531 231 HG2 GLN 32 1HG GLN 32 -10.324 3.336 -2.928 232 HG3 GLN 32 2HG GLN 32 -11.305 3.593 -1.486 233 HE21 GLN 32 1HE2 GLN 32 -10.789 4.424 -4.758 234 HE22 GLN 32 2HE2 GLN 32 -12.101 5.536 -4.922 235 HA PRO 33 HA PRO 33 -6.456 8.484 -3.326 236 HB2 PRO 33 1HB PRO 33 -8.411 10.246 -3.993 237 HB3 PRO 33 2HB PRO 33 -7.693 9.123 -5.154 238 HG2 PRO 33 1HG PRO 33 -10.272 8.901 -3.651 239 HG3 PRO 33 2HG PRO 33 -9.933 8.533 -5.352 240 HD2 PRO 33 1HD PRO 33 -10.100 6.611 -3.452 241 HD3 PRO 33 2HD PRO 33 -9.023 6.474 -4.856 242 HA PRO 34 HA PRO 34 -7.083 10.093 0.760 243 HB2 PRO 34 1HB PRO 34 -5.261 12.101 0.619 244 HB3 PRO 34 2HB PRO 34 -4.807 10.403 0.812 245 HG2 PRO 34 1HG PRO 34 -4.847 12.084 -1.665 246 HG3 PRO 34 2HG PRO 34 -3.623 10.923 -1.120 247 HD2 PRO 34 1HD PRO 34 -5.472 10.314 -3.002 248 HD3 PRO 34 2HD PRO 34 -4.829 9.107 -1.870 249 H LEU 35 H LEU 35 -7.982 11.909 1.792 250 HA LEU 35 HA LEU 35 -9.850 13.380 0.280 251 HB2 LEU 35 1HB LEU 35 -8.941 13.325 3.094 252 HB3 LEU 35 2HB LEU 35 -9.751 14.794 2.555 253 HG LEU 35 HG LEU 35 -11.397 13.426 3.568 254 HD11 LEU 35 1HD1 LEU 35 -12.198 12.582 0.927 255 HD12 LEU 35 2HD1 LEU 35 -11.550 14.222 0.909 256 HD13 LEU 35 3HD1 LEU 35 -12.895 13.817 1.976 257 HD21 LEU 35 3HD2 LEU 35 -11.148 11.115 1.778 258 HD22 LEU 35 1HD2 LEU 35 -11.473 11.184 3.510 259 HD23 LEU 35 2HD2 LEU 35 -9.816 11.314 2.919 260 H GLU 36 H GLU 36 -6.995 14.554 2.076 261 HA GLU 36 HA GLU 36 -7.068 17.052 0.602 262 HB2 GLU 36 1HB GLU 36 -5.043 16.151 2.653 263 HB3 GLU 36 2HB GLU 36 -5.326 17.793 2.093 264 HG2 GLU 36 1HG GLU 36 -7.605 16.347 3.315 265 HG3 GLU 36 2HG GLU 36 -6.304 16.882 4.377 266 H ALA 37 H ALA 37 -6.693 15.669 -1.413 267 HA ALA 37 HA ALA 37 -4.023 14.698 -1.849 268 HB1 ALA 37 3HB ALA 37 -5.045 13.575 -3.463 269 HB2 ALA 37 1HB ALA 37 -6.536 14.460 -3.142 270 HB3 ALA 37 2HB ALA 37 -5.375 15.084 -4.314 271 H ASN 38 H ASN 38 -5.348 17.749 -1.756 272 HA ASN 38 HA ASN 38 -4.855 19.761 -2.790 273 HB2 ASN 38 1HB ASN 38 -2.191 18.633 -1.919 274 HB3 ASN 38 2HB ASN 38 -2.407 20.300 -2.442 275 HD21 ASN 38 1HD2 ASN 38 -2.485 18.188 0.147 276 HD22 ASN 38 2HD2 ASN 38 -3.255 19.217 1.301 277 H GLY 39 H GLY 39 -5.264 17.868 -4.787 278 HA2 GLY 39 1HA GLY 39 -4.765 18.742 -7.128 279 HA3 GLY 39 2HA GLY 39 -3.090 18.420 -6.704 280 H LYS 40 H LYS 40 -5.712 17.220 -8.295 281 HA LYS 40 HA LYS 40 -6.121 14.628 -7.849 282 HB2 LYS 40 1HB LYS 40 -7.047 15.634 -9.810 283 HB3 LYS 40 2HB LYS 40 -5.452 15.912 -10.497 284 HG2 LYS 40 1HG LYS 40 -5.311 13.278 -10.308 285 HG3 LYS 40 2HG LYS 40 -7.068 13.428 -10.385 286 HD2 LYS 40 1HD LYS 40 -6.817 14.775 -12.450 287 HD3 LYS 40 2HD LYS 40 -5.076 14.493 -12.387 288 HE2 LYS 40 1HE LYS 40 -5.968 12.906 -13.905 289 HE3 LYS 40 2HE LYS 40 -5.587 12.028 -12.424 290 HZ1 LYS 40 3HZ LYS 40 -8.251 12.863 -13.409 291 HZ2 LYS 40 1HZ LYS 40 -7.992 12.362 -11.814 292 HZ3 LYS 40 2HZ LYS 40 -7.699 11.295 -13.093 293 H ILE 41 H ILE 41 -4.780 13.117 -7.114 294 HA ILE 41 HA ILE 41 -2.070 12.997 -7.184 295 HB ILE 41 HB ILE 41 -3.849 10.573 -7.462 296 HG12 ILE 41 1HG1 ILE 41 -4.693 11.822 -5.621 297 HG13 ILE 41 2HG1 ILE 41 -3.676 10.563 -4.929 298 HG21 ILE 41 1HG2 ILE 41 -1.827 9.589 -7.592 299 HG22 ILE 41 2HG2 ILE 41 -0.990 10.979 -6.901 300 HG23 ILE 41 3HG2 ILE 41 -1.817 9.834 -5.845 301 HD11 ILE 41 3HD1 ILE 41 -3.174 12.511 -3.736 302 HD12 ILE 41 1HD1 ILE 41 -1.832 12.299 -4.861 303 HD13 ILE 41 2HD1 ILE 41 -3.090 13.488 -5.201 304 H THR 42 H THR 42 -0.481 12.405 -8.568 305 HA THR 42 HA THR 42 -1.304 11.712 -11.311 306 HB THR 42 HB THR 42 0.737 12.751 -12.112 307 HG1 THR 42 1HG THR 42 1.256 13.332 -9.367 308 HG21 THR 42 3HG2 THR 42 0.304 15.116 -10.930 309 HG22 THR 42 1HG2 THR 42 -1.160 14.275 -10.423 310 HG23 THR 42 2HG2 THR 42 -0.786 14.439 -12.139 311 H ALA 43 H ALA 43 0.287 10.583 -8.554 312 HA ALA 43 HA ALA 43 1.027 8.140 -9.864 313 HB1 ALA 43 3HB ALA 43 3.293 9.644 -8.587 314 HB2 ALA 43 1HB ALA 43 3.360 8.190 -9.583 315 HB3 ALA 43 2HB ALA 43 2.950 9.742 -10.314 316 H TYR 44 H TYR 44 1.230 6.445 -8.441 317 HA TYR 44 HA TYR 44 0.896 7.109 -5.588 318 HB2 TYR 44 1HB TYR 44 -0.339 4.888 -7.216 319 HB3 TYR 44 2HB TYR 44 -0.335 4.891 -5.456 320 HD1 TYR 44 2HD TYR 44 -1.377 6.963 -4.301 321 HD2 TYR 44 1HD TYR 44 -2.062 5.941 -8.374 322 HE1 TYR 44 2HE TYR 44 -3.422 8.329 -4.294 323 HE2 TYR 44 1HE TYR 44 -4.108 7.306 -8.378 324 HH TYR 44 HH TYR 44 -5.701 8.240 -5.793 325 H ILE 45 H ILE 45 2.593 6.553 -4.412 326 HA ILE 45 HA ILE 45 4.339 4.390 -5.354 327 HB ILE 45 HB ILE 45 4.956 6.372 -3.169 328 HG12 ILE 45 1HG1 ILE 45 6.406 7.387 -5.090 329 HG13 ILE 45 2HG1 ILE 45 5.249 6.587 -6.148 330 HG21 ILE 45 1HG2 ILE 45 6.277 4.272 -3.271 331 HG22 ILE 45 2HG2 ILE 45 6.787 4.718 -4.899 332 HG23 ILE 45 3HG2 ILE 45 7.243 5.725 -3.525 333 HD11 ILE 45 3HD1 ILE 45 4.869 9.047 -5.497 334 HD12 ILE 45 1HD1 ILE 45 3.501 7.934 -5.463 335 HD13 ILE 45 2HD1 ILE 45 4.306 8.388 -3.961 336 H LEU 46 H LEU 46 4.183 2.473 -4.414 337 HA LEU 46 HA LEU 46 3.024 2.309 -1.716 338 HB2 LEU 46 1HB LEU 46 1.690 1.063 -3.179 339 HB3 LEU 46 2HB LEU 46 3.086 0.407 -4.033 340 HG LEU 46 HG LEU 46 3.569 -0.763 -1.743 341 HD11 LEU 46 1HD1 LEU 46 1.930 0.253 -0.374 342 HD12 LEU 46 2HD1 LEU 46 1.382 -1.398 -0.663 343 HD13 LEU 46 3HD1 LEU 46 0.651 -0.060 -1.548 344 HD21 LEU 46 3HD2 LEU 46 1.582 -2.430 -2.586 345 HD22 LEU 46 1HD2 LEU 46 3.202 -2.353 -3.278 346 HD23 LEU 46 2HD2 LEU 46 1.879 -1.461 -4.030 347 H PHE 47 H PHE 47 3.987 1.009 -0.138 348 HA PHE 47 HA PHE 47 6.692 0.027 -0.731 349 HB2 PHE 47 1HB PHE 47 5.972 1.537 1.786 350 HB3 PHE 47 2HB PHE 47 7.569 0.979 1.300 351 HD1 PHE 47 1HD PHE 47 4.807 3.097 -0.050 352 HD2 PHE 47 2HD PHE 47 8.999 2.544 0.437 353 HE1 PHE 47 1HE PHE 47 5.216 5.255 -1.157 354 HE2 PHE 47 2HE PHE 47 9.415 4.702 -0.669 355 HZ PHE 47 HZ PHE 47 7.523 6.061 -1.467 356 H TYR 48 H TYR 48 7.144 -1.933 0.081 357 HA TYR 48 HA TYR 48 5.537 -2.993 2.280 358 HB2 TYR 48 1HB TYR 48 5.121 -5.097 1.068 359 HB3 TYR 48 2HB TYR 48 4.366 -3.724 0.267 360 HD1 TYR 48 1HD TYR 48 7.180 -6.109 0.107 361 HD2 TYR 48 2HD TYR 48 4.994 -3.089 -1.942 362 HE1 TYR 48 1HE TYR 48 8.318 -6.716 -1.988 363 HE2 TYR 48 2HE TYR 48 6.124 -3.688 -4.043 364 HH TYR 48 HH TYR 48 8.430 -6.380 -4.186 365 H THR 49 H THR 49 6.610 -4.409 3.583 366 HA THR 49 HA THR 49 9.065 -5.671 2.765 367 HB THR 49 HB THR 49 9.793 -3.343 3.348 368 HG1 THR 49 1HG THR 49 11.335 -4.282 5.079 369 HG21 THR 49 3HG2 THR 49 8.869 -4.172 6.101 370 HG22 THR 49 1HG2 THR 49 8.230 -2.847 5.129 371 HG23 THR 49 2HG2 THR 49 9.876 -2.766 5.759 372 H LEU 50 H LEU 50 9.818 -7.227 4.266 373 HA LEU 50 HA LEU 50 7.739 -8.333 5.906 374 HB2 LEU 50 1HB LEU 50 9.092 -10.215 6.123 375 HB3 LEU 50 2HB LEU 50 9.453 -9.603 4.511 376 HG LEU 50 HG LEU 50 11.214 -8.810 6.785 377 HD11 LEU 50 1HD1 LEU 50 12.589 -10.818 6.388 378 HD12 LEU 50 2HD1 LEU 50 11.306 -11.471 5.370 379 HD13 LEU 50 3HD1 LEU 50 11.015 -11.197 7.088 380 HD21 LEU 50 3HD2 LEU 50 12.888 -9.102 4.860 381 HD22 LEU 50 1HD2 LEU 50 11.771 -7.739 4.791 382 HD23 LEU 50 2HD2 LEU 50 11.466 -9.179 3.820 383 H ASP 51 H ASP 51 10.517 -6.339 6.412 384 HA ASP 51 HA ASP 51 10.066 -6.492 9.321 385 HB2 ASP 51 1HB ASP 51 12.620 -6.342 7.756 386 HB3 ASP 51 2HB ASP 51 12.549 -5.672 9.384 387 H LYS 52 H LYS 52 9.773 -4.614 10.397 388 HA LYS 52 HA LYS 52 9.599 -2.184 8.778 389 HB2 LYS 52 1HB LYS 52 8.279 -1.274 10.628 390 HB3 LYS 52 2HB LYS 52 7.622 -2.811 10.080 391 HG2 LYS 52 1HG LYS 52 8.588 -3.951 11.967 392 HG3 LYS 52 2HG LYS 52 9.401 -2.473 12.486 393 HD2 LYS 52 1HD LYS 52 7.537 -2.509 13.855 394 HD3 LYS 52 2HD LYS 52 6.997 -1.480 12.526 395 HE2 LYS 52 1HE LYS 52 6.165 -3.744 11.513 396 HE3 LYS 52 2HE LYS 52 6.240 -4.293 13.187 397 HZ1 LYS 52 3HZ LYS 52 4.370 -2.498 11.922 398 HZ2 LYS 52 1HZ LYS 52 4.950 -1.943 13.411 399 HZ3 LYS 52 2HZ LYS 52 4.189 -3.450 13.309 400 H ASN 53 H ASN 53 11.397 -3.593 11.390 401 HA ASN 53 HA ASN 53 12.451 -1.545 12.795 402 HB2 ASN 53 1HB ASN 53 13.071 -4.078 12.771 403 HB3 ASN 53 2HB ASN 53 14.343 -3.581 11.659 404 HD21 ASN 53 1HD2 ASN 53 12.937 -2.565 14.756 405 HD22 ASN 53 2HD2 ASN 53 14.448 -2.239 15.527 406 H ILE 54 H ILE 54 13.027 -2.231 9.430 407 HA ILE 54 HA ILE 54 15.223 -0.365 9.205 408 HB ILE 54 HB ILE 54 14.884 -0.781 6.710 409 HG12 ILE 54 1HG1 ILE 54 13.144 -3.033 7.729 410 HG13 ILE 54 2HG1 ILE 54 12.506 -1.561 7.004 411 HG21 ILE 54 1HG2 ILE 54 15.433 -3.215 8.398 412 HG22 ILE 54 2HG2 ILE 54 16.060 -2.863 6.789 413 HG23 ILE 54 3HG2 ILE 54 16.575 -1.892 8.168 414 HD11 ILE 54 3HD1 ILE 54 12.611 -2.626 5.065 415 HD12 ILE 54 1HD1 ILE 54 14.364 -2.453 5.166 416 HD13 ILE 54 2HD1 ILE 54 13.587 -3.926 5.748 417 HA PRO 55 HA PRO 55 12.970 3.291 8.294 418 HB2 PRO 55 1HB PRO 55 14.590 4.477 6.466 419 HB3 PRO 55 2HB PRO 55 14.995 4.372 8.183 420 HG2 PRO 55 1HG PRO 55 15.930 2.665 5.908 421 HG3 PRO 55 2HG PRO 55 16.860 3.333 7.262 422 HD2 PRO 55 1HD PRO 55 16.008 0.764 7.207 423 HD3 PRO 55 2HD PRO 55 16.166 1.685 8.716 424 H ILE 56 H ILE 56 11.332 3.896 6.993 425 HA ILE 56 HA ILE 56 10.191 2.402 5.076 426 HB ILE 56 HB ILE 56 9.204 4.481 5.988 427 HG12 ILE 56 1HG1 ILE 56 8.111 5.211 3.838 428 HG13 ILE 56 2HG1 ILE 56 9.252 4.181 2.980 429 HG21 ILE 56 1HG2 ILE 56 11.448 5.734 5.328 430 HG22 ILE 56 2HG2 ILE 56 10.512 6.107 3.881 431 HG23 ILE 56 3HG2 ILE 56 9.908 6.583 5.468 432 HD11 ILE 56 3HD1 ILE 56 8.140 2.538 4.924 433 HD12 ILE 56 1HD1 ILE 56 6.794 3.495 4.307 434 HD13 ILE 56 2HD1 ILE 56 7.782 2.544 3.197 435 H ASP 57 H ASP 57 13.026 4.356 4.674 436 HA ASP 57 HA ASP 57 13.021 4.503 1.843 437 HB2 ASP 57 1HB ASP 57 14.410 6.046 2.988 438 HB3 ASP 57 2HB ASP 57 15.197 4.769 3.912 439 H ASP 58 H ASP 58 14.666 2.319 4.117 440 HA ASP 58 HA ASP 58 15.967 0.741 2.202 441 HB2 ASP 58 1HB ASP 58 16.117 0.832 4.850 442 HB3 ASP 58 2HB ASP 58 14.991 -0.517 4.725 443 H TRP 59 H TRP 59 12.670 0.839 3.211 444 HA TRP 59 HA TRP 59 11.825 -1.746 2.587 445 HB2 TRP 59 1HB TRP 59 10.325 0.869 2.332 446 HB3 TRP 59 2HB TRP 59 9.580 -0.725 2.267 447 HD1 TRP 59 HD TRP 59 12.332 -0.088 4.823 448 HE1 TRP 59 1HE TRP 59 11.300 -0.110 7.180 449 HE3 TRP 59 3HE TRP 59 7.385 -0.237 3.542 450 HZ2 TRP 59 2HZ TRP 59 8.729 -0.181 8.343 451 HZ3 TRP 59 3HZ TRP 59 5.703 -0.281 5.337 452 HH2 TRP 59 HH TRP 59 6.362 -0.254 7.687 453 H ILE 60 H ILE 60 10.143 -2.062 0.697 454 HA ILE 60 HA ILE 60 11.627 -1.506 -1.766 455 HB ILE 60 HB ILE 60 9.398 -3.475 -1.238 456 HG12 ILE 60 1HG1 ILE 60 11.424 -5.050 -1.826 457 HG13 ILE 60 2HG1 ILE 60 12.386 -3.668 -1.311 458 HG21 ILE 60 1HG2 ILE 60 9.305 -3.972 -3.426 459 HG22 ILE 60 2HG2 ILE 60 9.982 -2.359 -3.640 460 HG23 ILE 60 3HG2 ILE 60 11.042 -3.767 -3.650 461 HD11 ILE 60 3HD1 ILE 60 10.570 -3.909 0.718 462 HD12 ILE 60 1HD1 ILE 60 10.867 -5.586 0.263 463 HD13 ILE 60 2HD1 ILE 60 12.214 -4.545 0.725 464 H MET 61 H MET 61 11.010 0.465 -2.497 465 HA MET 61 HA MET 61 8.254 1.308 -2.441 466 HB2 MET 61 1HB MET 61 10.074 2.928 -2.129 467 HB3 MET 61 2HB MET 61 10.668 2.578 -3.747 468 HG2 MET 61 1HG MET 61 8.098 3.242 -4.276 469 HG3 MET 61 2HG MET 61 8.431 4.258 -2.876 470 HE1 MET 61 3HE MET 61 10.535 2.846 -5.713 471 HE2 MET 61 1HE MET 61 9.412 3.687 -6.783 472 HE3 MET 61 2HE MET 61 11.076 4.251 -6.631 473 H GLU 62 H GLU 62 6.869 1.543 -4.174 474 HA GLU 62 HA GLU 62 7.768 0.557 -6.784 475 HB2 GLU 62 1HB GLU 62 5.660 -0.623 -5.048 476 HB3 GLU 62 2HB GLU 62 5.333 -0.545 -6.774 477 HG2 GLU 62 1HG GLU 62 7.501 -2.032 -5.342 478 HG3 GLU 62 2HG GLU 62 6.267 -2.653 -6.437 479 H THR 63 H THR 63 7.197 1.911 -8.342 480 HA THR 63 HA THR 63 5.383 4.085 -7.794 481 HB THR 63 HB THR 63 6.756 3.415 -10.403 482 HG1 THR 63 1HG THR 63 8.260 3.736 -8.683 483 HG21 THR 63 3HG2 THR 63 4.804 5.321 -9.785 484 HG22 THR 63 1HG2 THR 63 5.811 5.259 -11.230 485 HG23 THR 63 2HG2 THR 63 6.325 6.211 -9.837 486 H ILE 64 H ILE 64 3.340 4.345 -8.509 487 HA ILE 64 HA ILE 64 2.260 2.349 -10.381 488 HB ILE 64 HB ILE 64 0.700 3.383 -8.021 489 HG12 ILE 64 1HG1 ILE 64 1.747 0.589 -8.103 490 HG13 ILE 64 2HG1 ILE 64 2.845 1.873 -7.610 491 HG21 ILE 64 1HG2 ILE 64 -0.152 2.192 -10.318 492 HG22 ILE 64 2HG2 ILE 64 0.028 0.808 -9.241 493 HG23 ILE 64 3HG2 ILE 64 -1.014 2.153 -8.780 494 HD11 ILE 64 3HD1 ILE 64 0.218 1.893 -6.299 495 HD12 ILE 64 1HD1 ILE 64 1.249 0.511 -5.927 496 HD13 ILE 64 2HD1 ILE 64 1.829 2.151 -5.630 497 H SER 65 H SER 65 0.751 3.078 -11.834 498 HA SER 65 HA SER 65 0.807 5.777 -12.568 499 HB2 SER 65 1HB SER 65 0.267 3.922 -14.122 500 HB3 SER 65 2HB SER 65 -1.282 3.712 -13.305 501 HG SER 65 HG SER 65 -0.490 6.178 -14.443 502 H GLY 66 H GLY 66 -0.414 7.508 -12.070 503 HA2 GLY 66 1HA GLY 66 -1.963 7.551 -9.735 504 HA3 GLY 66 2HA GLY 66 -1.931 8.818 -10.952 505 H ASP 67 H ASP 67 -2.803 6.504 -12.861 506 HA ASP 67 HA ASP 67 -5.605 7.130 -12.694 507 HB2 ASP 67 1HB ASP 67 -4.731 6.981 -14.893 508 HB3 ASP 67 2HB ASP 67 -3.961 5.431 -14.565 509 H ARG 68 H ARG 68 -3.551 4.399 -11.927 510 HA ARG 68 HA ARG 68 -5.850 2.712 -11.325 511 HB2 ARG 68 1HB ARG 68 -2.918 2.065 -10.999 512 HB3 ARG 68 2HB ARG 68 -4.262 0.930 -11.004 513 HG2 ARG 68 1HG ARG 68 -4.679 1.361 -13.336 514 HG3 ARG 68 2HG ARG 68 -3.443 2.620 -13.356 515 HD2 ARG 68 1HD ARG 68 -1.802 0.824 -12.647 516 HD3 ARG 68 2HD ARG 68 -3.072 -0.345 -13.010 517 HE ARG 68 HE ARG 68 -2.944 1.039 -15.293 518 HH11 ARG 68 1HH1 ARG 68 -0.452 -0.360 -13.305 519 HH12 ARG 68 2HH1 ARG 68 0.622 -0.656 -14.632 520 HH21 ARG 68 1HH2 ARG 68 -1.538 0.655 -17.048 521 HH22 ARG 68 2HH2 ARG 68 0.004 -0.077 -16.760 522 H LEU 69 H LEU 69 -6.153 1.738 -9.257 523 HA LEU 69 HA LEU 69 -4.959 3.266 -7.038 524 HB2 LEU 69 1HB LEU 69 -7.770 2.217 -7.315 525 HB3 LEU 69 2HB LEU 69 -7.102 2.887 -5.828 526 HG LEU 69 HG LEU 69 -7.230 4.490 -8.366 527 HD11 LEU 69 1HD1 LEU 69 -9.451 3.515 -6.915 528 HD12 LEU 69 2HD1 LEU 69 -9.429 4.699 -8.221 529 HD13 LEU 69 3HD1 LEU 69 -9.288 5.232 -6.547 530 HD21 LEU 69 3HD2 LEU 69 -6.515 4.950 -5.553 531 HD22 LEU 69 1HD2 LEU 69 -7.544 6.186 -6.278 532 HD23 LEU 69 2HD2 LEU 69 -5.990 5.789 -7.013 533 H THR 70 H THR 70 -4.542 0.510 -8.418 534 HA THR 70 HA THR 70 -4.290 -0.971 -5.893 535 HB THR 70 HB THR 70 -5.068 -3.010 -6.829 536 HG1 THR 70 1HG THR 70 -5.843 -2.902 -9.128 537 HG21 THR 70 3HG2 THR 70 -7.011 -0.997 -7.933 538 HG22 THR 70 1HG2 THR 70 -6.787 -1.226 -6.199 539 HG23 THR 70 2HG2 THR 70 -7.351 -2.565 -7.200 540 H HIS 71 H HIS 71 -2.714 -2.752 -6.014 541 HA HIS 71 HA HIS 71 -0.783 -2.592 -8.189 542 HB2 HIS 71 1HB HIS 71 0.096 -0.932 -6.689 543 HB3 HIS 71 2HB HIS 71 -0.104 -2.001 -5.304 544 HD1 HIS 71 1HD HIS 71 1.962 -1.721 -8.469 545 HD2 HIS 71 2HD HIS 71 2.069 -3.549 -4.739 546 HE1 HIS 71 1HE HIS 71 4.245 -2.762 -8.296 547 HE2 HIS 71 2HE HIS 71 4.256 -3.934 -6.066 548 H GLN 72 H GLN 72 -0.044 -4.551 -8.705 549 HA GLN 72 HA GLN 72 -0.574 -6.754 -6.839 550 HB2 GLN 72 1HB GLN 72 -1.625 -6.917 -9.061 551 HB3 GLN 72 2HB GLN 72 -0.038 -6.831 -9.814 552 HG2 GLN 72 1HG GLN 72 0.532 -8.915 -8.471 553 HG3 GLN 72 2HG GLN 72 -1.197 -9.041 -8.153 554 HE21 GLN 72 1HE2 GLN 72 1.271 -9.886 -10.216 555 HE22 GLN 72 2HE2 GLN 72 0.329 -10.390 -11.573 556 H ILE 73 H ILE 73 1.076 -7.590 -5.765 557 HA ILE 73 HA ILE 73 3.798 -7.130 -6.763 558 HB ILE 73 HB ILE 73 2.834 -7.917 -4.011 559 HG12 ILE 73 1HG1 ILE 73 4.265 -5.390 -4.819 560 HG13 ILE 73 2HG1 ILE 73 2.510 -5.519 -4.870 561 HG21 ILE 73 1HG2 ILE 73 5.400 -8.235 -5.247 562 HG22 ILE 73 2HG2 ILE 73 5.510 -7.071 -3.928 563 HG23 ILE 73 3HG2 ILE 73 4.879 -8.689 -3.624 564 HD11 ILE 73 3HD1 ILE 73 2.398 -5.866 -2.519 565 HD12 ILE 73 1HD1 ILE 73 4.151 -6.017 -2.402 566 HD13 ILE 73 2HD1 ILE 73 3.424 -4.463 -2.812 567 H MET 74 H MET 74 5.214 -8.780 -7.147 568 HA MET 74 HA MET 74 4.163 -11.518 -6.866 569 HB2 MET 74 1HB MET 74 5.830 -10.384 -9.118 570 HB3 MET 74 2HB MET 74 5.423 -12.085 -8.934 571 HG2 MET 74 1HG MET 74 2.974 -11.226 -8.917 572 HG3 MET 74 2HG MET 74 3.667 -9.788 -9.663 573 HE1 MET 74 3HE MET 74 3.427 -10.101 -12.860 574 HE2 MET 74 1HE MET 74 4.476 -9.452 -11.598 575 HE3 MET 74 2HE MET 74 5.115 -10.608 -12.767 576 H ASP 75 H ASP 75 6.007 -13.173 -7.046 577 HA ASP 75 HA ASP 75 7.836 -14.105 -6.064 578 HB2 ASP 75 1HB ASP 75 8.914 -11.369 -6.742 579 HB3 ASP 75 2HB ASP 75 9.919 -12.639 -6.051 580 H LEU 76 H LEU 76 6.076 -13.589 -4.200 581 HA LEU 76 HA LEU 76 7.441 -12.090 -2.072 582 HB2 LEU 76 1HB LEU 76 4.584 -12.866 -2.529 583 HB3 LEU 76 2HB LEU 76 5.154 -12.430 -0.920 584 HG LEU 76 HG LEU 76 5.160 -10.661 -3.365 585 HD11 LEU 76 1HD1 LEU 76 2.949 -10.837 -2.549 586 HD12 LEU 76 2HD1 LEU 76 3.588 -9.320 -1.918 587 HD13 LEU 76 3HD1 LEU 76 3.481 -10.734 -0.871 588 HD21 LEU 76 3HD2 LEU 76 5.819 -8.907 -1.673 589 HD22 LEU 76 1HD2 LEU 76 7.071 -10.074 -2.099 590 HD23 LEU 76 2HD2 LEU 76 6.200 -10.233 -0.574 591 H ASN 77 H ASN 77 7.737 -13.011 -0.020 592 HA ASN 77 HA ASN 77 8.466 -15.733 -0.007 593 HB2 ASN 77 1HB ASN 77 8.173 -13.648 2.139 594 HB3 ASN 77 2HB ASN 77 8.550 -15.318 2.554 595 HD21 ASN 77 1HD2 ASN 77 10.346 -13.570 3.311 596 HD22 ASN 77 2HD2 ASN 77 11.745 -13.590 2.298 597 H LEU 78 H LEU 78 7.631 -17.397 1.470 598 HA LEU 78 HA LEU 78 4.697 -17.353 1.496 599 HB2 LEU 78 1HB LEU 78 6.701 -19.593 1.526 600 HB3 LEU 78 2HB LEU 78 4.989 -19.849 1.855 601 HG LEU 78 HG LEU 78 5.639 -20.418 -0.459 602 HD11 LEU 78 1HD1 LEU 78 3.828 -19.167 -1.559 603 HD12 LEU 78 2HD1 LEU 78 3.743 -18.094 -0.163 604 HD13 LEU 78 3HD1 LEU 78 3.349 -19.804 0.015 605 HD21 LEU 78 3HD2 LEU 78 6.188 -17.461 -0.701 606 HD22 LEU 78 1HD2 LEU 78 6.167 -18.621 -2.029 607 HD23 LEU 78 2HD2 LEU 78 7.392 -18.750 -0.767 608 H ASP 79 H ASP 79 3.527 -17.706 3.334 609 HA ASP 79 HA ASP 79 3.070 -17.521 5.564 610 HB2 ASP 79 1HB ASP 79 4.024 -19.255 6.951 611 HB3 ASP 79 2HB ASP 79 3.717 -19.918 5.348 612 H THR 80 H THR 80 4.463 -15.363 4.834 613 HA THR 80 HA THR 80 6.185 -14.883 7.162 614 HB THR 80 HB THR 80 6.846 -14.003 4.345 615 HG1 THR 80 1HG THR 80 7.328 -16.279 5.431 616 HG21 THR 80 3HG2 THR 80 7.591 -12.921 6.892 617 HG22 THR 80 1HG2 THR 80 8.056 -12.382 5.279 618 HG23 THR 80 2HG2 THR 80 9.011 -13.612 6.108 619 H MET 81 H MET 81 5.818 -12.991 8.176 620 HA MET 81 HA MET 81 3.537 -11.458 7.508 621 HB2 MET 81 1HB MET 81 4.723 -11.830 9.805 622 HB3 MET 81 2HB MET 81 5.684 -10.435 9.333 623 HG2 MET 81 1HG MET 81 4.043 -9.372 10.470 624 HG3 MET 81 2HG MET 81 3.300 -9.399 8.873 625 HE1 MET 81 3HE MET 81 1.078 -11.902 8.540 626 HE2 MET 81 1HE MET 81 0.133 -10.607 9.276 627 HE3 MET 81 2HE MET 81 1.488 -10.217 8.216 628 H TYR 82 H TYR 82 3.308 -9.751 6.215 629 HA TYR 82 HA TYR 82 5.712 -8.251 5.422 630 HB2 TYR 82 1HB TYR 82 3.706 -9.616 3.717 631 HB3 TYR 82 2HB TYR 82 4.227 -8.020 3.189 632 HD1 TYR 82 1HD TYR 82 6.984 -7.813 3.617 633 HD2 TYR 82 2HD TYR 82 4.784 -11.308 2.594 634 HE1 TYR 82 1HE TYR 82 9.014 -8.796 2.635 635 HE2 TYR 82 2HE TYR 82 6.808 -12.301 1.611 636 HH TYR 82 HH TYR 82 8.917 -11.808 0.849 637 H TYR 83 H TYR 83 5.534 -6.183 5.936 638 HA TYR 83 HA TYR 83 2.962 -5.054 6.625 639 HB2 TYR 83 1HB TYR 83 5.641 -3.658 6.580 640 HB3 TYR 83 2HB TYR 83 4.194 -3.167 7.454 641 HD1 TYR 83 1HD TYR 83 3.413 -5.856 8.568 642 HD2 TYR 83 2HD TYR 83 7.177 -3.885 8.352 643 HE1 TYR 83 1HE TYR 83 4.176 -7.111 10.541 644 HE2 TYR 83 2HE TYR 83 7.952 -5.135 10.323 645 HH TYR 83 HH TYR 83 5.840 -6.922 12.312 646 H PHE 84 H PHE 84 1.890 -3.433 5.568 647 HA PHE 84 HA PHE 84 2.926 -2.717 2.904 648 HB2 PHE 84 1HB PHE 84 0.099 -3.220 3.831 649 HB3 PHE 84 2HB PHE 84 0.467 -2.400 2.317 650 HD1 PHE 84 2HD PHE 84 0.748 -5.580 4.150 651 HD2 PHE 84 1HD PHE 84 1.194 -3.603 0.407 652 HE1 PHE 84 2HE PHE 84 0.959 -7.759 3.028 653 HE2 PHE 84 1HE PHE 84 1.405 -5.779 -0.721 654 HZ PHE 84 HZ PHE 84 1.289 -7.861 0.590 655 H ARG 85 H ARG 85 3.024 -0.609 2.350 656 HA ARG 85 HA ARG 85 1.582 1.396 3.870 657 HB2 ARG 85 1HB ARG 85 4.596 1.223 3.864 658 HB3 ARG 85 2HB ARG 85 3.718 2.689 4.280 659 HG2 ARG 85 1HG ARG 85 2.536 1.295 6.046 660 HG3 ARG 85 2HG ARG 85 3.772 0.072 5.743 661 HD2 ARG 85 1HD ARG 85 4.797 1.206 7.430 662 HD3 ARG 85 2HD ARG 85 5.377 2.157 6.064 663 HE ARG 85 HE ARG 85 2.916 3.091 7.263 664 HH11 ARG 85 1HH1 ARG 85 6.390 3.308 7.191 665 HH12 ARG 85 2HH1 ARG 85 6.437 4.885 7.906 666 HH21 ARG 85 1HH2 ARG 85 2.964 5.168 8.206 667 HH22 ARG 85 2HH2 ARG 85 4.488 5.942 8.484 668 H ILE 86 H ILE 86 0.671 2.530 2.291 669 HA ILE 86 HA ILE 86 2.291 3.186 -0.083 670 HB ILE 86 HB ILE 86 0.291 1.792 -0.548 671 HG12 ILE 86 1HG1 ILE 86 -0.079 4.562 -1.685 672 HG13 ILE 86 2HG1 ILE 86 1.270 3.529 -2.146 673 HG21 ILE 86 1HG2 ILE 86 -1.562 2.209 0.607 674 HG22 ILE 86 2HG2 ILE 86 -0.963 3.786 1.121 675 HG23 ILE 86 3HG2 ILE 86 -1.799 3.620 -0.423 676 HD11 ILE 86 3HD1 ILE 86 -0.695 1.815 -2.606 677 HD12 ILE 86 1HD1 ILE 86 -1.604 3.312 -2.810 678 HD13 ILE 86 2HD1 ILE 86 -0.178 3.003 -3.802 679 H GLN 87 H GLN 87 1.629 5.266 -1.156 680 HA GLN 87 HA GLN 87 0.556 7.284 0.646 681 HB2 GLN 87 1HB GLN 87 2.460 8.753 0.467 682 HB3 GLN 87 2HB GLN 87 2.998 7.204 1.102 683 HG2 GLN 87 1HG GLN 87 3.692 6.599 -1.230 684 HG3 GLN 87 2HG GLN 87 3.358 8.269 -1.684 685 HE21 GLN 87 1HE2 GLN 87 4.251 9.111 1.059 686 HE22 GLN 87 2HE2 GLN 87 5.976 9.102 0.972 687 H ALA 88 H ALA 88 0.613 9.503 -0.551 688 HA ALA 88 HA ALA 88 -0.147 9.021 -3.359 689 HB1 ALA 88 3HB ALA 88 -1.343 10.906 -1.339 690 HB2 ALA 88 1HB ALA 88 -1.686 10.985 -3.067 691 HB3 ALA 88 2HB ALA 88 -2.122 9.545 -2.146 692 H ARG 89 H ARG 89 0.620 10.378 -4.915 693 HA ARG 89 HA ARG 89 2.236 12.679 -4.073 694 HB2 ARG 89 1HB ARG 89 3.897 11.027 -4.416 695 HB3 ARG 89 2HB ARG 89 3.102 10.416 -5.861 696 HG2 ARG 89 1HG ARG 89 3.605 12.616 -6.953 697 HG3 ARG 89 2HG ARG 89 4.590 13.008 -5.542 698 HD2 ARG 89 1HD ARG 89 6.118 11.286 -5.995 699 HD3 ARG 89 2HD ARG 89 5.012 10.483 -7.109 700 HE ARG 89 HE ARG 89 5.692 11.913 -8.781 701 HH11 ARG 89 1HH1 ARG 89 6.910 13.014 -5.711 702 HH12 ARG 89 2HH1 ARG 89 7.972 14.192 -6.408 703 HH21 ARG 89 1HH2 ARG 89 7.087 13.460 -9.710 704 HH22 ARG 89 2HH2 ARG 89 8.071 14.446 -8.683 705 H ASN 90 H ASN 90 1.737 14.459 -5.169 706 HA ASN 90 HA ASN 90 0.337 14.160 -7.744 707 HB2 ASN 90 1HB ASN 90 -0.679 16.394 -7.223 708 HB3 ASN 90 2HB ASN 90 -1.154 15.111 -6.114 709 HD21 ASN 90 1HD2 ASN 90 -1.719 16.765 -4.624 710 HD22 ASN 90 2HD2 ASN 90 -0.503 17.544 -3.676 711 H SER 91 H SER 91 0.545 16.187 -9.140 712 HA SER 91 HA SER 91 2.999 16.500 -10.176 713 HB2 SER 91 1HB SER 91 0.991 18.745 -9.863 714 HB3 SER 91 2HB SER 91 2.312 18.706 -11.031 715 HG SER 91 HG SER 91 0.339 18.017 -11.955 716 H LYS 92 H LYS 92 1.859 17.956 -7.225 717 HA LYS 92 HA LYS 92 4.014 19.815 -6.945 718 HB2 LYS 92 1HB LYS 92 2.326 18.742 -4.693 719 HB3 LYS 92 2HB LYS 92 3.116 20.309 -4.810 720 HG2 LYS 92 1HG LYS 92 1.057 19.635 -6.839 721 HG3 LYS 92 2HG LYS 92 0.523 20.018 -5.201 722 HD2 LYS 92 1HD LYS 92 0.522 22.115 -6.120 723 HD3 LYS 92 2HD LYS 92 2.176 22.052 -5.508 724 HE2 LYS 92 1HE LYS 92 2.297 22.896 -7.722 725 HE3 LYS 92 2HE LYS 92 2.871 21.230 -7.782 726 HZ1 LYS 92 3HZ LYS 92 1.320 20.776 -9.273 727 HZ2 LYS 92 1HZ LYS 92 0.799 22.386 -9.247 728 HZ3 LYS 92 2HZ LYS 92 0.096 21.252 -8.207 729 H GLY 93 H GLY 93 3.199 17.034 -4.861 730 HA2 GLY 93 1HA GLY 93 5.843 15.936 -5.051 731 HA3 GLY 93 2HA GLY 93 5.582 16.787 -3.536 732 H VAL 94 H VAL 94 5.896 14.777 -2.444 733 HA VAL 94 HA VAL 94 3.571 12.973 -2.631 734 HB VAL 94 HB VAL 94 5.583 11.801 -3.295 735 HG11 VAL 94 1HG1 VAL 94 6.986 11.786 -0.775 736 HG12 VAL 94 2HG1 VAL 94 7.584 12.163 -2.392 737 HG13 VAL 94 3HG1 VAL 94 6.840 13.424 -1.409 738 HG21 VAL 94 3HG2 VAL 94 4.599 10.068 -2.306 739 HG22 VAL 94 1HG2 VAL 94 5.599 10.384 -0.888 740 HG23 VAL 94 2HG2 VAL 94 3.987 11.089 -1.005 741 H GLY 95 H GLY 95 2.387 12.639 -0.840 742 HA2 GLY 95 1HA GLY 95 3.008 14.210 1.513 743 HA3 GLY 95 2HA GLY 95 1.543 13.282 1.232 744 HA PRO 96 HA PRO 96 3.973 11.058 4.464 745 HB2 PRO 96 1HB PRO 96 1.814 10.479 6.005 746 HB3 PRO 96 2HB PRO 96 2.702 12.003 6.128 747 HG2 PRO 96 1HG PRO 96 0.144 11.412 4.690 748 HG3 PRO 96 2HG PRO 96 0.566 12.812 5.693 749 HD2 PRO 96 1HD PRO 96 0.618 12.890 2.987 750 HD3 PRO 96 2HD PRO 96 1.734 13.838 3.991 751 H LEU 97 H LEU 97 2.778 8.901 5.642 752 HA LEU 97 HA LEU 97 1.999 7.206 3.361 753 HB2 LEU 97 1HB LEU 97 3.736 6.502 5.720 754 HB3 LEU 97 2HB LEU 97 3.155 5.346 4.523 755 HG LEU 97 HG LEU 97 4.683 7.665 3.497 756 HD11 LEU 97 1HD1 LEU 97 6.821 6.717 4.059 757 HD12 LEU 97 2HD1 LEU 97 6.049 5.380 4.911 758 HD13 LEU 97 3HD1 LEU 97 5.918 7.021 5.543 759 HD21 LEU 97 3HD2 LEU 97 5.381 4.921 2.749 760 HD22 LEU 97 1HD2 LEU 97 5.004 6.315 1.737 761 HD23 LEU 97 2HD2 LEU 97 3.700 5.355 2.435 762 H SER 98 H SER 98 1.227 4.947 4.459 763 HA SER 98 HA SER 98 -0.924 5.726 6.315 764 HB2 SER 98 1HB SER 98 -1.521 4.912 3.957 765 HB3 SER 98 2HB SER 98 -0.993 3.319 4.499 766 HG SER 98 HG SER 98 -3.215 3.553 4.826 767 H ASP 99 H ASP 99 -1.735 3.884 7.686 768 HA ASP 99 HA ASP 99 0.333 2.918 9.315 769 HB2 ASP 99 1HB ASP 99 -1.503 1.462 10.308 770 HB3 ASP 99 2HB ASP 99 -1.800 3.198 10.311 771 HA PRO 100 HA PRO 100 1.690 -0.698 7.200 772 HB2 PRO 100 1HB PRO 100 2.788 -2.021 9.302 773 HB3 PRO 100 2HB PRO 100 3.543 -0.608 8.556 774 HG2 PRO 100 1HG PRO 100 1.892 -0.779 11.047 775 HG3 PRO 100 2HG PRO 100 3.386 0.131 10.755 776 HD2 PRO 100 1HD PRO 100 0.940 1.292 10.704 777 HD3 PRO 100 2HD PRO 100 2.281 1.845 9.681 778 H ILE 101 H ILE 101 0.339 -2.222 6.497 779 HA ILE 101 HA ILE 101 -1.580 -3.445 8.310 780 HB ILE 101 HB ILE 101 -1.217 -3.713 5.325 781 HG12 ILE 101 1HG1 ILE 101 -3.320 -2.315 6.992 782 HG13 ILE 101 2HG1 ILE 101 -2.060 -1.529 6.048 783 HG21 ILE 101 1HG2 ILE 101 -3.391 -4.890 5.371 784 HG22 ILE 101 2HG2 ILE 101 -2.109 -5.778 6.193 785 HG23 ILE 101 3HG2 ILE 101 -3.316 -4.902 7.133 786 HD11 ILE 101 3HD1 ILE 101 -3.856 -1.342 4.648 787 HD12 ILE 101 1HD1 ILE 101 -3.138 -2.845 4.069 788 HD13 ILE 101 2HD1 ILE 101 -4.540 -2.891 5.138 789 H LEU 102 H LEU 102 -1.608 -5.563 8.910 790 HA LEU 102 HA LEU 102 0.824 -7.097 8.337 791 HB2 LEU 102 1HB LEU 102 -1.094 -6.973 10.592 792 HB3 LEU 102 2HB LEU 102 -0.351 -8.535 10.255 793 HG LEU 102 HG LEU 102 1.881 -7.198 10.365 794 HD11 LEU 102 1HD1 LEU 102 0.170 -5.438 12.104 795 HD12 LEU 102 2HD1 LEU 102 0.660 -5.000 10.468 796 HD13 LEU 102 3HD1 LEU 102 1.881 -5.253 11.715 797 HD21 LEU 102 3HD2 LEU 102 2.017 -7.628 12.758 798 HD22 LEU 102 1HD2 LEU 102 1.198 -8.952 11.930 799 HD23 LEU 102 2HD2 LEU 102 0.261 -7.771 12.845 800 H PHE 103 H PHE 103 0.554 -8.303 6.558 801 HA PHE 103 HA PHE 103 -1.797 -10.070 6.465 802 HB2 PHE 103 1HB PHE 103 -2.162 -8.393 4.779 803 HB3 PHE 103 2HB PHE 103 -0.520 -8.574 4.172 804 HD1 PHE 103 1HD PHE 103 -3.831 -10.162 4.388 805 HD2 PHE 103 2HD PHE 103 0.050 -10.303 2.646 806 HE1 PHE 103 1HE PHE 103 -4.620 -11.843 2.774 807 HE2 PHE 103 2HE PHE 103 -0.733 -11.983 1.028 808 HZ PHE 103 HZ PHE 103 -3.071 -12.755 1.090 809 H ARG 104 H ARG 104 -1.077 -12.059 6.838 810 HA ARG 104 HA ARG 104 1.618 -12.844 6.180 811 HB2 ARG 104 1HB ARG 104 0.042 -13.577 8.186 812 HB3 ARG 104 2HB ARG 104 -0.434 -14.827 7.044 813 HG2 ARG 104 1HG ARG 104 1.591 -15.864 7.116 814 HG3 ARG 104 2HG ARG 104 2.466 -14.374 7.472 815 HD2 ARG 104 1HD ARG 104 2.606 -15.368 9.515 816 HD3 ARG 104 2HD ARG 104 1.066 -14.533 9.717 817 HE ARG 104 HE ARG 104 0.891 -17.235 8.694 818 HH11 ARG 104 1HH1 ARG 104 0.843 -15.164 11.492 819 HH12 ARG 104 2HH1 ARG 104 -0.008 -16.302 12.482 820 HH21 ARG 104 1HH2 ARG 104 -0.230 -18.743 9.988 821 HH22 ARG 104 2HH2 ARG 104 -0.617 -18.338 11.626 822 H THR 105 H THR 105 2.246 -13.690 4.315 823 HA THR 105 HA THR 105 0.546 -14.122 2.138 824 HB THR 105 HB THR 105 2.583 -15.503 1.260 825 HG1 THR 105 1HG THR 105 4.328 -15.503 2.503 826 HG21 THR 105 3HG2 THR 105 3.218 -12.655 1.948 827 HG22 THR 105 1HG2 THR 105 1.902 -13.037 0.839 828 HG23 THR 105 2HG2 THR 105 3.549 -13.541 0.459 829 H LEU 106 H LEU 106 0.073 -16.106 1.000 830 HA LEU 106 HA LEU 106 -1.066 -18.080 2.649 831 HB2 LEU 106 1HB LEU 106 -0.655 -17.695 -0.254 832 HB3 LEU 106 2HB LEU 106 -0.954 -19.345 0.289 833 HG LEU 106 HG LEU 106 -2.776 -16.977 0.718 834 HD11 LEU 106 1HD1 LEU 106 -4.215 -18.700 -0.720 835 HD12 LEU 106 2HD1 LEU 106 -2.612 -19.106 -1.328 836 HD13 LEU 106 3HD1 LEU 106 -3.208 -17.452 -1.453 837 HD21 LEU 106 3HD2 LEU 106 -4.076 -19.438 1.167 838 HD22 LEU 106 1HD2 LEU 106 -3.730 -18.161 2.333 839 HD23 LEU 106 2HD2 LEU 106 -2.575 -19.472 2.094 840 H LYS 107 H LYS 107 -0.574 -20.514 2.078 841 HA LYS 107 HA LYS 107 2.337 -20.924 2.280 842 HB2 LYS 107 1HB LYS 107 0.225 -22.523 3.735 843 HB3 LYS 107 2HB LYS 107 1.969 -22.695 3.889 844 HG2 LYS 107 1HG LYS 107 1.560 -21.457 5.743 845 HG3 LYS 107 2HG LYS 107 1.791 -20.147 4.583 846 HD2 LYS 107 1HD LYS 107 -0.517 -19.759 4.396 847 HD3 LYS 107 2HD LYS 107 -0.923 -21.313 5.130 848 HE2 LYS 107 1HE LYS 107 0.483 -19.085 6.592 849 HE3 LYS 107 2HE LYS 107 -1.265 -19.312 6.606 850 HZ1 LYS 107 3HZ LYS 107 -0.082 -21.758 7.238 851 HZ2 LYS 107 1HZ LYS 107 -1.012 -20.761 8.239 852 HZ3 LYS 107 2HZ LYS 107 0.668 -20.581 8.193 853 H VAL 108 H VAL 108 3.051 -22.010 0.577 854 HA VAL 108 HA VAL 108 1.337 -23.454 -1.177 855 HB VAL 108 HB VAL 108 4.351 -23.341 -1.031 856 HG11 VAL 108 1HG1 VAL 108 4.298 -25.129 -2.372 857 HG12 VAL 108 2HG1 VAL 108 2.559 -24.984 -2.640 858 HG13 VAL 108 3HG1 VAL 108 3.684 -24.028 -3.605 859 HG21 VAL 108 3HG2 VAL 108 3.670 -21.206 -1.617 860 HG22 VAL 108 1HG2 VAL 108 3.883 -21.976 -3.190 861 HG23 VAL 108 2HG2 VAL 108 2.266 -21.787 -2.512 862 H SER 109 H SER 109 0.602 -25.449 -0.934 863 HA SER 109 HA SER 109 2.296 -27.565 0.046 864 HB2 SER 109 1HB SER 109 1.150 -26.343 2.067 865 HB3 SER 109 2HB SER 109 -0.277 -27.243 1.552 866 HG SER 109 HG SER 109 2.250 -28.336 2.246 867 H GLY 110 H GLY 110 1.977 -28.888 -1.640 868 HA2 GLY 110 1HA GLY 110 0.916 -30.274 -3.130 869 HA3 GLY 110 2HA GLY 110 -0.355 -30.391 -1.921 870 HA PRO 111 HA PRO 111 -1.989 -28.316 -5.783 871 HB2 PRO 111 1HB PRO 111 -4.044 -30.047 -6.173 872 HB3 PRO 111 2HB PRO 111 -2.429 -30.305 -6.845 873 HG2 PRO 111 1HG PRO 111 -3.672 -31.490 -4.392 874 HG3 PRO 111 2HG PRO 111 -2.687 -32.277 -5.639 875 HD2 PRO 111 1HD PRO 111 -1.674 -31.519 -3.245 876 HD3 PRO 111 2HD PRO 111 -0.708 -31.515 -4.735 877 H SER 112 H SER 112 -3.226 -29.356 -2.727 878 HA SER 112 HA SER 112 -5.197 -27.183 -2.809 879 HB2 SER 112 1HB SER 112 -5.722 -29.997 -1.827 880 HB3 SER 112 2HB SER 112 -6.806 -28.632 -1.563 881 HG SER 112 HG SER 112 -7.001 -30.162 -3.533 882 H SER 113 H SER 113 -5.230 -25.943 -1.028 883 HA SER 113 HA SER 113 -3.283 -26.482 1.040 884 HB2 SER 113 1HB SER 113 -5.110 -24.149 0.467 885 HB3 SER 113 2HB SER 113 -4.110 -24.228 1.917 886 HG SER 113 HG SER 113 -3.397 -23.747 -0.699 887 H GLY 114 H GLY 114 -6.805 -26.084 0.825 888 HA2 GLY 114 1HA GLY 114 -8.491 -26.801 2.208 889 HA3 GLY 114 2HA GLY 114 -7.347 -27.978 2.835 Start of MODEL 19 1 H1 GLY 1 H GLY 1 2.227 34.355 -5.330 2 HA2 GLY 1 1HA GLY 1 4.336 34.543 -7.216 3 HA3 GLY 1 2HA GLY 1 4.300 35.985 -6.211 4 H SER 2 H SER 2 4.734 32.504 -6.224 5 HA SER 2 HA SER 2 6.617 32.655 -4.079 6 HB2 SER 2 1HB SER 2 4.261 32.654 -2.988 7 HB3 SER 2 2HB SER 2 4.213 30.956 -3.460 8 HG SER 2 HG SER 2 5.078 31.492 -1.294 9 H SER 3 H SER 3 7.540 30.513 -3.561 10 HA SER 3 HA SER 3 7.153 28.581 -5.750 11 HB2 SER 3 1HB SER 3 9.756 29.551 -4.557 12 HB3 SER 3 2HB SER 3 9.631 28.126 -5.588 13 HG SER 3 HG SER 3 9.864 30.642 -6.337 14 H GLY 4 H GLY 4 7.582 26.380 -5.245 15 HA2 GLY 4 1HA GLY 4 8.466 24.903 -3.372 16 HA3 GLY 4 2HA GLY 4 7.363 25.820 -2.356 17 H SER 5 H SER 5 7.730 23.102 -4.313 18 HA SER 5 HA SER 5 4.901 22.786 -4.888 19 HB2 SER 5 1HB SER 5 7.158 20.823 -5.352 20 HB3 SER 5 2HB SER 5 5.543 20.763 -6.057 21 HG SER 5 HG SER 5 6.704 21.724 -7.604 22 H SER 6 H SER 6 3.602 22.159 -3.300 23 HA SER 6 HA SER 6 4.609 20.198 -1.346 24 HB2 SER 6 1HB SER 6 2.407 22.255 -1.054 25 HB3 SER 6 2HB SER 6 2.840 21.064 0.172 26 HG SER 6 HG SER 6 4.734 22.079 0.513 27 H GLY 7 H GLY 7 3.933 18.210 -1.797 28 HA2 GLY 7 1HA GLY 7 1.635 17.685 -3.418 29 HA3 GLY 7 2HA GLY 7 2.629 16.487 -2.602 30 HA PRO 8 HA PRO 8 -1.445 16.345 -0.507 31 HB2 PRO 8 1HB PRO 8 -1.355 13.669 -0.058 32 HB3 PRO 8 2HB PRO 8 -1.919 14.369 -1.580 33 HG2 PRO 8 1HG PRO 8 0.757 13.210 -0.906 34 HG3 PRO 8 2HG PRO 8 -0.218 12.996 -2.372 35 HD2 PRO 8 1HD PRO 8 1.880 14.705 -2.253 36 HD3 PRO 8 2HD PRO 8 0.453 15.014 -3.263 37 H THR 9 H THR 9 -1.895 16.203 1.672 38 HA THR 9 HA THR 9 0.438 15.828 3.422 39 HB THR 9 HB THR 9 -1.056 17.051 5.120 40 HG1 THR 9 1HG THR 9 -3.023 16.971 4.041 41 HG21 THR 9 3HG2 THR 9 0.481 18.086 2.858 42 HG22 THR 9 1HG2 THR 9 0.554 18.515 4.567 43 HG23 THR 9 2HG2 THR 9 -0.664 19.250 3.524 44 H SER 10 H SER 10 -1.836 13.939 2.313 45 HA SER 10 HA SER 10 -2.040 12.424 4.797 46 HB2 SER 10 1HB SER 10 -4.131 13.938 4.343 47 HB3 SER 10 2HB SER 10 -4.527 12.708 3.143 48 HG SER 10 HG SER 10 -3.820 11.860 5.708 49 H ALA 11 H ALA 11 -2.413 10.191 4.494 50 HA ALA 11 HA ALA 11 -1.531 9.229 1.897 51 HB1 ALA 11 3HB ALA 11 -1.347 8.308 4.619 52 HB2 ALA 11 1HB ALA 11 -1.968 7.035 3.567 53 HB3 ALA 11 2HB ALA 11 -0.426 7.810 3.200 54 HA PRO 12 HA PRO 12 -5.329 7.597 0.424 55 HB2 PRO 12 1HB PRO 12 -4.711 5.072 -0.358 56 HB3 PRO 12 2HB PRO 12 -4.160 6.508 -1.227 57 HG2 PRO 12 1HG PRO 12 -2.688 4.811 0.751 58 HG3 PRO 12 2HG PRO 12 -2.115 5.495 -0.781 59 HD2 PRO 12 1HD PRO 12 -1.535 6.607 1.619 60 HD3 PRO 12 2HD PRO 12 -1.738 7.573 0.143 61 H LYS 13 H LYS 13 -6.962 5.834 0.641 62 HA LYS 13 HA LYS 13 -6.800 4.492 3.257 63 HB2 LYS 13 1HB LYS 13 -9.299 4.913 3.426 64 HB3 LYS 13 2HB LYS 13 -8.259 6.314 3.647 65 HG2 LYS 13 1HG LYS 13 -8.674 6.934 1.285 66 HG3 LYS 13 2HG LYS 13 -9.815 5.592 1.173 67 HD2 LYS 13 1HD LYS 13 -11.257 6.577 2.790 68 HD3 LYS 13 2HD LYS 13 -10.050 7.793 3.217 69 HE2 LYS 13 1HE LYS 13 -10.444 9.040 1.336 70 HE3 LYS 13 2HE LYS 13 -10.977 7.649 0.393 71 HZ1 LYS 13 3HZ LYS 13 -12.950 7.673 2.044 72 HZ2 LYS 13 1HZ LYS 13 -12.931 8.772 0.758 73 HZ3 LYS 13 2HZ LYS 13 -12.497 9.280 2.311 74 H ASP 14 H ASP 14 -8.989 3.006 3.315 75 HA ASP 14 HA ASP 14 -9.865 1.027 2.611 76 HB2 ASP 14 1HB ASP 14 -10.813 2.659 0.894 77 HB3 ASP 14 2HB ASP 14 -9.561 2.077 -0.200 78 H LEU 15 H LEU 15 -6.966 1.285 2.859 79 HA LEU 15 HA LEU 15 -5.733 -0.190 0.747 80 HB2 LEU 15 1HB LEU 15 -4.502 1.373 2.192 81 HB3 LEU 15 2HB LEU 15 -4.784 0.307 3.566 82 HG LEU 15 HG LEU 15 -3.425 -1.430 2.471 83 HD11 LEU 15 1HD1 LEU 15 -3.427 -1.202 0.217 84 HD12 LEU 15 2HD1 LEU 15 -1.940 -0.318 0.559 85 HD13 LEU 15 3HD1 LEU 15 -3.443 0.561 0.281 86 HD21 LEU 15 3HD2 LEU 15 -1.882 -0.496 3.774 87 HD22 LEU 15 1HD2 LEU 15 -2.489 1.128 3.450 88 HD23 LEU 15 2HD2 LEU 15 -1.330 0.384 2.347 89 H THR 16 H THR 16 -6.069 -2.269 0.367 90 HA THR 16 HA THR 16 -6.188 -4.126 2.634 91 HB THR 16 HB THR 16 -8.065 -4.378 0.284 92 HG1 THR 16 1HG THR 16 -8.927 -3.621 2.858 93 HG21 THR 16 3HG2 THR 16 -7.504 -5.927 2.743 94 HG22 THR 16 1HG2 THR 16 -8.056 -6.475 1.161 95 HG23 THR 16 2HG2 THR 16 -9.200 -5.751 2.292 96 H VAL 17 H VAL 17 -5.165 -6.043 2.308 97 HA VAL 17 HA VAL 17 -3.992 -6.484 -0.362 98 HB VAL 17 HB VAL 17 -2.808 -7.171 2.332 99 HG11 VAL 17 1HG1 VAL 17 -1.447 -7.484 -0.324 100 HG12 VAL 17 2HG1 VAL 17 -0.995 -8.167 1.239 101 HG13 VAL 17 3HG1 VAL 17 -2.408 -8.784 0.381 102 HG21 VAL 17 3HG2 VAL 17 -1.988 -5.103 2.268 103 HG22 VAL 17 1HG2 VAL 17 -1.059 -5.578 0.845 104 HG23 VAL 17 2HG2 VAL 17 -2.647 -4.834 0.654 105 H ILE 18 H ILE 18 -4.765 -8.219 -1.350 106 HA ILE 18 HA ILE 18 -5.540 -10.546 0.282 107 HB ILE 18 HB ILE 18 -7.307 -11.045 -1.366 108 HG12 ILE 18 1HG1 ILE 18 -6.934 -8.255 -2.436 109 HG13 ILE 18 2HG1 ILE 18 -6.132 -9.635 -3.177 110 HG21 ILE 18 1HG2 ILE 18 -7.334 -8.531 0.237 111 HG22 ILE 18 2HG2 ILE 18 -8.725 -8.926 -0.771 112 HG23 ILE 18 3HG2 ILE 18 -8.209 -10.041 0.494 113 HD11 ILE 18 3HD1 ILE 18 -9.075 -9.719 -2.735 114 HD12 ILE 18 1HD1 ILE 18 -8.418 -8.793 -4.084 115 HD13 ILE 18 2HD1 ILE 18 -8.095 -10.523 -3.961 116 H THR 19 H THR 19 -4.962 -12.544 -0.467 117 HA THR 19 HA THR 19 -2.794 -12.668 -2.315 118 HB THR 19 HB THR 19 -3.002 -14.194 -0.363 119 HG1 THR 19 1HG THR 19 -1.632 -15.106 -1.733 120 HG21 THR 19 3HG2 THR 19 -5.126 -15.571 -2.008 121 HG22 THR 19 1HG2 THR 19 -5.447 -14.587 -0.581 122 HG23 THR 19 2HG2 THR 19 -4.513 -16.076 -0.434 123 H ARG 20 H ARG 20 -2.696 -13.792 -4.303 124 HA ARG 20 HA ARG 20 -5.048 -13.468 -5.920 125 HB2 ARG 20 1HB ARG 20 -2.471 -13.206 -6.508 126 HB3 ARG 20 2HB ARG 20 -2.640 -14.904 -6.933 127 HG2 ARG 20 1HG ARG 20 -3.107 -13.960 -8.945 128 HG3 ARG 20 2HG ARG 20 -4.733 -14.001 -8.262 129 HD2 ARG 20 1HD ARG 20 -4.193 -11.649 -7.375 130 HD3 ARG 20 2HD ARG 20 -2.859 -11.674 -8.527 131 HE ARG 20 HE ARG 20 -4.367 -11.404 -10.232 132 HH11 ARG 20 1HH1 ARG 20 -6.061 -12.299 -7.326 133 HH12 ARG 20 2HH1 ARG 20 -7.632 -12.013 -7.998 134 HH21 ARG 20 1HH2 ARG 20 -6.430 -11.023 -11.128 135 HH22 ARG 20 2HH2 ARG 20 -7.841 -11.288 -10.161 136 H GLU 21 H GLU 21 -6.331 -15.023 -6.824 137 HA GLU 21 HA GLU 21 -6.585 -17.486 -5.455 138 HB2 GLU 21 1HB GLU 21 -8.623 -16.935 -6.286 139 HB3 GLU 21 2HB GLU 21 -7.947 -16.119 -7.688 140 HG2 GLU 21 1HG GLU 21 -9.185 -17.996 -8.454 141 HG3 GLU 21 2HG GLU 21 -7.473 -18.349 -8.679 142 H GLY 22 H GLY 22 -5.051 -16.551 -8.469 143 HA2 GLY 22 1HA GLY 22 -4.365 -19.364 -8.996 144 HA3 GLY 22 2HA GLY 22 -4.276 -18.057 -10.167 145 H LYS 23 H LYS 23 -3.083 -17.040 -7.210 146 HA LYS 23 HA LYS 23 -0.403 -18.061 -7.512 147 HB2 LYS 23 1HB LYS 23 -1.031 -15.164 -8.090 148 HB3 LYS 23 2HB LYS 23 0.586 -15.756 -7.736 149 HG2 LYS 23 1HG LYS 23 0.179 -17.377 -9.699 150 HG3 LYS 23 2HG LYS 23 -1.129 -16.273 -10.131 151 HD2 LYS 23 1HD LYS 23 0.734 -14.449 -9.845 152 HD3 LYS 23 2HD LYS 23 1.821 -15.814 -10.111 153 HE2 LYS 23 1HE LYS 23 0.769 -16.293 -12.229 154 HE3 LYS 23 2HE LYS 23 -0.443 -15.044 -11.948 155 HZ1 LYS 23 3HZ LYS 23 2.461 -14.659 -12.409 156 HZ2 LYS 23 1HZ LYS 23 1.428 -13.421 -11.896 157 HZ3 LYS 23 2HZ LYS 23 1.186 -14.155 -13.400 158 HA PRO 24 HA PRO 24 -1.183 -17.316 -3.142 159 HB2 PRO 24 1HB PRO 24 0.856 -18.889 -2.281 160 HB3 PRO 24 2HB PRO 24 -0.705 -19.537 -2.801 161 HG2 PRO 24 1HG PRO 24 1.869 -19.352 -4.318 162 HG3 PRO 24 2HG PRO 24 0.713 -20.694 -4.236 163 HD2 PRO 24 1HD PRO 24 0.801 -18.971 -6.324 164 HD3 PRO 24 2HD PRO 24 -0.707 -19.728 -5.774 165 H ARG 25 H ARG 25 1.871 -17.031 -4.874 166 HA ARG 25 HA ARG 25 3.108 -15.467 -2.784 167 HB2 ARG 25 1HB ARG 25 4.019 -16.034 -5.612 168 HB3 ARG 25 2HB ARG 25 4.989 -15.267 -4.362 169 HG2 ARG 25 1HG ARG 25 5.310 -17.222 -3.213 170 HG3 ARG 25 2HG ARG 25 3.828 -17.955 -3.830 171 HD2 ARG 25 1HD ARG 25 4.848 -18.217 -6.021 172 HD3 ARG 25 2HD ARG 25 6.315 -17.422 -5.452 173 HE ARG 25 HE ARG 25 5.483 -20.142 -4.920 174 HH11 ARG 25 1HH1 ARG 25 7.569 -17.503 -4.023 175 HH12 ARG 25 2HH1 ARG 25 8.727 -18.517 -3.229 176 HH21 ARG 25 1HH2 ARG 25 7.001 -21.488 -3.878 177 HH22 ARG 25 2HH2 ARG 25 8.404 -20.784 -3.148 178 H ALA 26 H ALA 26 0.755 -14.782 -4.924 179 HA ALA 26 HA ALA 26 1.701 -12.056 -5.482 180 HB1 ALA 26 3HB ALA 26 -0.482 -13.712 -6.726 181 HB2 ALA 26 1HB ALA 26 -0.277 -11.989 -7.045 182 HB3 ALA 26 2HB ALA 26 1.002 -13.125 -7.476 183 H VAL 27 H VAL 27 0.240 -10.271 -5.151 184 HA VAL 27 HA VAL 27 -2.069 -10.693 -3.446 185 HB VAL 27 HB VAL 27 -1.300 -9.167 -1.687 186 HG11 VAL 27 1HG1 VAL 27 0.403 -10.690 -0.662 187 HG12 VAL 27 2HG1 VAL 27 -1.056 -11.498 -1.238 188 HG13 VAL 27 3HG1 VAL 27 0.431 -11.581 -2.183 189 HG21 VAL 27 3HG2 VAL 27 1.502 -9.232 -2.047 190 HG22 VAL 27 1HG2 VAL 27 0.793 -8.645 -3.551 191 HG23 VAL 27 2HG2 VAL 27 0.438 -7.827 -2.030 192 H ILE 28 H ILE 28 -3.607 -9.233 -3.870 193 HA ILE 28 HA ILE 28 -2.949 -7.030 -5.668 194 HB ILE 28 HB ILE 28 -5.731 -7.702 -4.774 195 HG12 ILE 28 1HG1 ILE 28 -4.770 -9.834 -5.447 196 HG13 ILE 28 2HG1 ILE 28 -5.891 -9.274 -6.684 197 HG21 ILE 28 1HG2 ILE 28 -4.658 -5.806 -6.480 198 HG22 ILE 28 2HG2 ILE 28 -5.280 -7.051 -7.561 199 HG23 ILE 28 3HG2 ILE 28 -6.350 -6.292 -6.384 200 HD11 ILE 28 3HD1 ILE 28 -3.356 -8.278 -7.381 201 HD12 ILE 28 1HD1 ILE 28 -3.140 -9.969 -6.927 202 HD13 ILE 28 2HD1 ILE 28 -4.296 -9.534 -8.187 203 H VAL 29 H VAL 29 -2.046 -5.475 -4.354 204 HA VAL 29 HA VAL 29 -3.346 -4.640 -1.916 205 HB VAL 29 HB VAL 29 -1.000 -3.457 -3.407 206 HG11 VAL 29 1HG1 VAL 29 -1.496 -1.634 -2.186 207 HG12 VAL 29 2HG1 VAL 29 -2.520 -2.534 -1.066 208 HG13 VAL 29 3HG1 VAL 29 -0.767 -2.551 -0.868 209 HG21 VAL 29 3HG2 VAL 29 0.174 -5.103 -2.485 210 HG22 VAL 29 1HG2 VAL 29 -0.266 -4.487 -0.892 211 HG23 VAL 29 2HG2 VAL 29 -1.264 -5.716 -1.669 212 H SER 30 H SER 30 -5.256 -3.639 -2.187 213 HA SER 30 HA SER 30 -5.534 -1.623 -4.290 214 HB2 SER 30 1HB SER 30 -7.934 -1.720 -3.814 215 HB3 SER 30 2HB SER 30 -7.299 -3.341 -4.095 216 HG SER 30 HG SER 30 -7.046 -3.202 -1.616 217 H TRP 31 H TRP 31 -6.954 0.311 -3.606 218 HA TRP 31 HA TRP 31 -6.922 1.243 -0.952 219 HB2 TRP 31 1HB TRP 31 -5.170 2.942 -1.074 220 HB3 TRP 31 2HB TRP 31 -4.486 1.336 -1.312 221 HD1 TRP 31 HD TRP 31 -5.346 4.529 -3.282 222 HE1 TRP 31 1HE TRP 31 -3.930 4.558 -5.431 223 HE3 TRP 31 3HE TRP 31 -3.217 -0.105 -2.916 224 HZ2 TRP 31 2HZ TRP 31 -2.147 2.844 -6.792 225 HZ3 TRP 31 3HZ TRP 31 -1.668 -0.834 -4.683 226 HH2 TRP 31 HH TRP 31 -1.146 0.611 -6.580 227 H GLN 32 H GLN 32 -6.954 3.885 -1.116 228 HA GLN 32 HA GLN 32 -8.563 4.633 -3.447 229 HB2 GLN 32 1HB GLN 32 -9.464 4.495 -0.630 230 HB3 GLN 32 2HB GLN 32 -9.937 5.933 -1.524 231 HG2 GLN 32 1HG GLN 32 -10.367 3.372 -2.906 232 HG3 GLN 32 2HG GLN 32 -11.357 3.652 -1.475 233 HE21 GLN 32 1HE2 GLN 32 -10.961 4.278 -4.759 234 HE22 GLN 32 2HE2 GLN 32 -12.193 5.475 -4.938 235 HA PRO 33 HA PRO 33 -6.424 8.459 -3.321 236 HB2 PRO 33 1HB PRO 33 -8.346 10.233 -4.048 237 HB3 PRO 33 2HB PRO 33 -7.623 9.084 -5.179 238 HG2 PRO 33 1HG PRO 33 -10.229 8.915 -3.716 239 HG3 PRO 33 2HG PRO 33 -9.867 8.517 -5.405 240 HD2 PRO 33 1HD PRO 33 -10.088 6.627 -3.479 241 HD3 PRO 33 2HD PRO 33 -8.990 6.456 -4.863 242 HA PRO 34 HA PRO 34 -7.105 10.128 0.733 243 HB2 PRO 34 1HB PRO 34 -5.236 12.093 0.606 244 HB3 PRO 34 2HB PRO 34 -4.824 10.389 0.832 245 HG2 PRO 34 1HG PRO 34 -4.773 12.036 -1.668 246 HG3 PRO 34 2HG PRO 34 -3.586 10.856 -1.081 247 HD2 PRO 34 1HD PRO 34 -5.407 10.262 -2.995 248 HD3 PRO 34 2HD PRO 34 -4.815 9.057 -1.833 249 H LEU 35 H LEU 35 -7.942 12.007 1.729 250 HA LEU 35 HA LEU 35 -9.618 13.589 0.011 251 HB2 LEU 35 1HB LEU 35 -9.267 13.223 2.932 252 HB3 LEU 35 2HB LEU 35 -9.986 14.737 2.387 253 HG LEU 35 HG LEU 35 -11.761 13.256 2.941 254 HD11 LEU 35 1HD1 LEU 35 -11.611 14.509 0.581 255 HD12 LEU 35 2HD1 LEU 35 -13.017 13.574 1.090 256 HD13 LEU 35 3HD1 LEU 35 -11.819 12.851 0.016 257 HD21 LEU 35 3HD2 LEU 35 -10.609 11.147 2.917 258 HD22 LEU 35 1HD2 LEU 35 -10.372 11.248 1.172 259 HD23 LEU 35 2HD2 LEU 35 -11.996 11.047 1.830 260 H GLU 36 H GLU 36 -6.768 14.152 2.023 261 HA GLU 36 HA GLU 36 -6.704 16.966 1.315 262 HB2 GLU 36 1HB GLU 36 -4.708 15.338 2.897 263 HB3 GLU 36 2HB GLU 36 -4.757 17.091 2.775 264 HG2 GLU 36 1HG GLU 36 -7.028 17.009 3.826 265 HG3 GLU 36 2HG GLU 36 -6.755 15.293 4.118 266 H ALA 37 H ALA 37 -6.382 14.849 -0.738 267 HA ALA 37 HA ALA 37 -3.914 14.314 -1.674 268 HB1 ALA 37 3HB ALA 37 -6.492 14.549 -2.820 269 HB2 ALA 37 1HB ALA 37 -5.347 15.335 -3.908 270 HB3 ALA 37 2HB ALA 37 -5.099 13.656 -3.428 271 H ASN 38 H ASN 38 -5.329 17.465 -1.384 272 HA ASN 38 HA ASN 38 -4.564 19.565 -1.816 273 HB2 ASN 38 1HB ASN 38 -1.988 18.062 -1.382 274 HB3 ASN 38 2HB ASN 38 -2.014 19.799 -1.675 275 HD21 ASN 38 1HD2 ASN 38 -1.105 18.412 0.670 276 HD22 ASN 38 2HD2 ASN 38 -2.074 18.967 1.988 277 H GLY 39 H GLY 39 -5.001 17.679 -4.081 278 HA2 GLY 39 1HA GLY 39 -4.821 19.026 -6.291 279 HA3 GLY 39 2HA GLY 39 -3.102 18.744 -6.056 280 H LYS 40 H LYS 40 -5.484 17.769 -7.901 281 HA LYS 40 HA LYS 40 -6.007 15.160 -7.868 282 HB2 LYS 40 1HB LYS 40 -6.661 16.443 -9.771 283 HB3 LYS 40 2HB LYS 40 -4.989 16.765 -10.211 284 HG2 LYS 40 1HG LYS 40 -4.926 14.114 -10.360 285 HG3 LYS 40 2HG LYS 40 -6.646 14.356 -10.671 286 HD2 LYS 40 1HD LYS 40 -5.567 14.355 -12.785 287 HD3 LYS 40 2HD LYS 40 -5.974 16.035 -12.428 288 HE2 LYS 40 1HE LYS 40 -3.689 16.446 -11.693 289 HE3 LYS 40 2HE LYS 40 -3.276 14.758 -11.987 290 HZ1 LYS 40 3HZ LYS 40 -4.228 15.436 -14.366 291 HZ2 LYS 40 1HZ LYS 40 -2.597 15.598 -13.948 292 HZ3 LYS 40 2HZ LYS 40 -3.625 16.939 -13.877 293 H ILE 41 H ILE 41 -4.943 13.313 -7.618 294 HA ILE 41 HA ILE 41 -2.117 13.224 -7.399 295 HB ILE 41 HB ILE 41 -4.000 10.881 -7.675 296 HG12 ILE 41 1HG1 ILE 41 -4.778 12.265 -5.859 297 HG13 ILE 41 2HG1 ILE 41 -3.955 10.867 -5.175 298 HG21 ILE 41 1HG2 ILE 41 -2.221 9.747 -6.311 299 HG22 ILE 41 2HG2 ILE 41 -1.752 10.168 -7.957 300 HG23 ILE 41 3HG2 ILE 41 -1.201 11.156 -6.604 301 HD11 ILE 41 3HD1 ILE 41 -3.085 13.719 -5.255 302 HD12 ILE 41 1HD1 ILE 41 -3.174 12.611 -3.886 303 HD13 ILE 41 2HD1 ILE 41 -1.898 12.426 -5.090 304 H THR 42 H THR 42 -0.591 12.176 -8.698 305 HA THR 42 HA THR 42 -1.456 11.621 -11.461 306 HB THR 42 HB THR 42 0.882 12.418 -12.123 307 HG1 THR 42 1HG THR 42 2.069 12.899 -10.431 308 HG21 THR 42 3HG2 THR 42 -1.519 13.721 -11.986 309 HG22 THR 42 1HG2 THR 42 -0.069 14.351 -12.767 310 HG23 THR 42 2HG2 THR 42 -0.454 14.822 -11.112 311 H ALA 43 H ALA 43 0.444 10.690 -8.729 312 HA ALA 43 HA ALA 43 0.974 8.116 -9.964 313 HB1 ALA 43 3HB ALA 43 2.926 9.673 -10.469 314 HB2 ALA 43 1HB ALA 43 3.289 9.589 -8.745 315 HB3 ALA 43 2HB ALA 43 3.308 8.121 -9.723 316 H TYR 44 H TYR 44 1.264 6.452 -8.486 317 HA TYR 44 HA TYR 44 0.924 7.198 -5.655 318 HB2 TYR 44 1HB TYR 44 -0.385 5.016 -7.260 319 HB3 TYR 44 2HB TYR 44 -0.269 4.915 -5.507 320 HD1 TYR 44 2HD TYR 44 -1.061 7.170 -4.277 321 HD2 TYR 44 1HD TYR 44 -2.328 5.892 -8.133 322 HE1 TYR 44 2HE TYR 44 -3.089 8.543 -4.059 323 HE2 TYR 44 1HE TYR 44 -4.359 7.263 -7.926 324 HH TYR 44 HH TYR 44 -5.713 8.202 -5.574 325 H ILE 45 H ILE 45 2.600 6.640 -4.450 326 HA ILE 45 HA ILE 45 4.364 4.483 -5.366 327 HB ILE 45 HB ILE 45 4.938 6.450 -3.158 328 HG12 ILE 45 1HG1 ILE 45 6.411 7.478 -5.072 329 HG13 ILE 45 2HG1 ILE 45 5.232 6.709 -6.129 330 HG21 ILE 45 1HG2 ILE 45 6.780 4.797 -4.879 331 HG22 ILE 45 2HG2 ILE 45 7.246 5.837 -3.535 332 HG23 ILE 45 3HG2 ILE 45 6.288 4.387 -3.236 333 HD11 ILE 45 3HD1 ILE 45 4.936 9.184 -5.346 334 HD12 ILE 45 1HD1 ILE 45 3.546 8.109 -5.491 335 HD13 ILE 45 2HD1 ILE 45 4.256 8.424 -3.908 336 H LEU 46 H LEU 46 4.312 2.572 -4.397 337 HA LEU 46 HA LEU 46 3.082 2.383 -1.729 338 HB2 LEU 46 1HB LEU 46 1.754 1.116 -3.148 339 HB3 LEU 46 2HB LEU 46 3.133 0.537 -4.080 340 HG LEU 46 HG LEU 46 3.777 -0.829 -2.058 341 HD11 LEU 46 1HD1 LEU 46 1.987 0.682 -0.721 342 HD12 LEU 46 2HD1 LEU 46 2.519 -0.915 -0.197 343 HD13 LEU 46 3HD1 LEU 46 1.004 -0.737 -1.082 344 HD21 LEU 46 3HD2 LEU 46 1.423 -1.250 -3.806 345 HD22 LEU 46 1HD2 LEU 46 1.630 -2.358 -2.450 346 HD23 LEU 46 2HD2 LEU 46 2.908 -2.190 -3.654 347 H PHE 47 H PHE 47 4.060 1.148 -0.131 348 HA PHE 47 HA PHE 47 6.773 0.170 -0.710 349 HB2 PHE 47 1HB PHE 47 6.008 1.642 1.816 350 HB3 PHE 47 2HB PHE 47 7.618 1.117 1.334 351 HD1 PHE 47 1HD PHE 47 4.835 3.174 -0.071 352 HD2 PHE 47 2HD PHE 47 9.022 2.747 0.561 353 HE1 PHE 47 1HE PHE 47 5.216 5.352 -1.149 354 HE2 PHE 47 2HE PHE 47 9.410 4.925 -0.516 355 HZ PHE 47 HZ PHE 47 7.506 6.231 -1.372 356 H TYR 48 H TYR 48 7.247 -1.788 0.099 357 HA TYR 48 HA TYR 48 5.640 -2.886 2.276 358 HB2 TYR 48 1HB TYR 48 5.141 -4.935 1.074 359 HB3 TYR 48 2HB TYR 48 4.512 -3.560 0.173 360 HD1 TYR 48 1HD TYR 48 7.048 -6.209 0.238 361 HD2 TYR 48 2HD TYR 48 5.449 -2.944 -1.971 362 HE1 TYR 48 1HE TYR 48 8.272 -6.967 -1.757 363 HE2 TYR 48 2HE TYR 48 6.667 -3.693 -3.972 364 HH TYR 48 HH TYR 48 8.400 -5.044 -4.674 365 H THR 49 H THR 49 6.664 -4.486 3.466 366 HA THR 49 HA THR 49 9.116 -5.697 2.661 367 HB THR 49 HB THR 49 9.924 -3.401 3.188 368 HG1 THR 49 1HG THR 49 11.412 -4.332 4.985 369 HG21 THR 49 3HG2 THR 49 9.958 -2.639 5.497 370 HG22 THR 49 1HG2 THR 49 9.082 -4.081 6.008 371 HG23 THR 49 2HG2 THR 49 8.295 -2.893 4.969 372 H LEU 50 H LEU 50 9.876 -7.250 4.162 373 HA LEU 50 HA LEU 50 7.809 -8.200 5.955 374 HB2 LEU 50 1HB LEU 50 9.014 -10.220 6.059 375 HB3 LEU 50 2HB LEU 50 9.121 -9.669 4.389 376 HG LEU 50 HG LEU 50 11.337 -9.070 6.308 377 HD11 LEU 50 1HD1 LEU 50 11.596 -11.496 4.658 378 HD12 LEU 50 2HD1 LEU 50 10.531 -11.624 6.058 379 HD13 LEU 50 3HD1 LEU 50 12.214 -11.144 6.272 380 HD21 LEU 50 3HD2 LEU 50 10.899 -9.111 3.377 381 HD22 LEU 50 1HD2 LEU 50 12.495 -9.577 3.966 382 HD23 LEU 50 2HD2 LEU 50 11.834 -7.992 4.371 383 H ASP 51 H ASP 51 10.720 -6.411 6.157 384 HA ASP 51 HA ASP 51 10.754 -6.757 9.084 385 HB2 ASP 51 1HB ASP 51 12.953 -6.455 7.091 386 HB3 ASP 51 2HB ASP 51 13.179 -5.747 8.688 387 H LYS 52 H LYS 52 10.043 -5.060 10.174 388 HA LYS 52 HA LYS 52 9.771 -2.487 8.865 389 HB2 LYS 52 1HB LYS 52 8.433 -1.845 10.737 390 HB3 LYS 52 2HB LYS 52 7.973 -3.487 10.305 391 HG2 LYS 52 1HG LYS 52 9.797 -4.080 12.133 392 HG3 LYS 52 2HG LYS 52 9.360 -2.473 12.720 393 HD2 LYS 52 1HD LYS 52 7.072 -3.100 12.961 394 HD3 LYS 52 2HD LYS 52 7.339 -4.625 12.112 395 HE2 LYS 52 1HE LYS 52 7.394 -5.386 14.258 396 HE3 LYS 52 2HE LYS 52 9.097 -4.974 14.062 397 HZ1 LYS 52 3HZ LYS 52 7.320 -3.991 15.957 398 HZ2 LYS 52 1HZ LYS 52 7.672 -2.701 14.921 399 HZ3 LYS 52 2HZ LYS 52 8.925 -3.522 15.706 400 H ASN 53 H ASN 53 11.785 -4.014 11.256 401 HA ASN 53 HA ASN 53 12.828 -2.019 12.747 402 HB2 ASN 53 1HB ASN 53 13.866 -4.002 13.227 403 HB3 ASN 53 2HB ASN 53 14.009 -4.461 11.532 404 HD21 ASN 53 1HD2 ASN 53 15.630 -3.311 10.256 405 HD22 ASN 53 2HD2 ASN 53 17.093 -2.815 11.029 406 H ILE 54 H ILE 54 13.317 -2.503 9.323 407 HA ILE 54 HA ILE 54 15.391 -0.502 9.129 408 HB ILE 54 HB ILE 54 15.042 -0.816 6.639 409 HG12 ILE 54 1HG1 ILE 54 13.397 -3.199 7.487 410 HG13 ILE 54 2HG1 ILE 54 12.667 -1.680 6.977 411 HG21 ILE 54 1HG2 ILE 54 16.299 -2.825 6.581 412 HG22 ILE 54 2HG2 ILE 54 16.740 -1.998 8.075 413 HG23 ILE 54 3HG2 ILE 54 15.631 -3.368 8.120 414 HD11 ILE 54 3HD1 ILE 54 14.056 -3.750 5.391 415 HD12 ILE 54 1HD1 ILE 54 12.646 -2.767 4.996 416 HD13 ILE 54 2HD1 ILE 54 14.264 -2.071 4.893 417 HA PRO 55 HA PRO 55 12.903 3.057 8.482 418 HB2 PRO 55 1HB PRO 55 14.406 4.438 6.693 419 HB3 PRO 55 2HB PRO 55 14.857 4.262 8.393 420 HG2 PRO 55 1HG PRO 55 15.838 2.744 6.007 421 HG3 PRO 55 2HG PRO 55 16.758 3.390 7.377 422 HD2 PRO 55 1HD PRO 55 16.058 0.781 7.194 423 HD3 PRO 55 2HD PRO 55 16.197 1.625 8.749 424 H ILE 56 H ILE 56 11.208 3.648 7.246 425 HA ILE 56 HA ILE 56 10.135 2.180 5.252 426 HB ILE 56 HB ILE 56 9.005 4.096 6.346 427 HG12 ILE 56 1HG1 ILE 56 7.793 4.881 4.276 428 HG13 ILE 56 2HG1 ILE 56 8.985 4.003 3.324 429 HG21 ILE 56 1HG2 ILE 56 10.095 5.977 4.330 430 HG22 ILE 56 2HG2 ILE 56 9.516 6.280 5.968 431 HG23 ILE 56 3HG2 ILE 56 11.115 5.581 5.713 432 HD11 ILE 56 3HD1 ILE 56 6.645 3.036 4.728 433 HD12 ILE 56 1HD1 ILE 56 7.595 2.279 3.450 434 HD13 ILE 56 2HD1 ILE 56 8.100 2.126 5.133 435 H ASP 57 H ASP 57 12.802 4.365 4.955 436 HA ASP 57 HA ASP 57 12.703 4.717 2.135 437 HB2 ASP 57 1HB ASP 57 14.996 4.986 4.090 438 HB3 ASP 57 2HB ASP 57 15.069 5.470 2.398 439 H ASP 58 H ASP 58 14.482 2.498 4.254 440 HA ASP 58 HA ASP 58 15.928 1.201 2.208 441 HB2 ASP 58 1HB ASP 58 15.268 0.597 5.054 442 HB3 ASP 58 2HB ASP 58 15.887 -0.711 4.050 443 H TRP 59 H TRP 59 12.675 0.884 3.345 444 HA TRP 59 HA TRP 59 12.029 -1.703 2.611 445 HB2 TRP 59 1HB TRP 59 10.337 0.797 2.418 446 HB3 TRP 59 2HB TRP 59 9.710 -0.843 2.286 447 HD1 TRP 59 HD TRP 59 12.391 -0.176 4.893 448 HE1 TRP 59 1HE TRP 59 11.340 -0.333 7.237 449 HE3 TRP 59 3HE TRP 59 7.465 -0.467 3.555 450 HZ2 TRP 59 2HZ TRP 59 8.764 -0.553 8.369 451 HZ3 TRP 59 3HZ TRP 59 5.770 -0.649 5.330 452 HH2 TRP 59 HH TRP 59 6.408 -0.691 7.686 453 H ILE 60 H ILE 60 10.245 -1.948 0.702 454 HA ILE 60 HA ILE 60 11.747 -1.333 -1.741 455 HB ILE 60 HB ILE 60 9.535 -3.347 -1.323 456 HG12 ILE 60 1HG1 ILE 60 11.617 -4.896 -1.794 457 HG13 ILE 60 2HG1 ILE 60 12.521 -3.513 -1.186 458 HG21 ILE 60 1HG2 ILE 60 10.300 -2.200 -3.673 459 HG22 ILE 60 2HG2 ILE 60 11.330 -3.630 -3.618 460 HG23 ILE 60 3HG2 ILE 60 9.578 -3.801 -3.518 461 HD11 ILE 60 3HD1 ILE 60 10.378 -5.038 0.274 462 HD12 ILE 60 1HD1 ILE 60 12.112 -5.079 0.592 463 HD13 ILE 60 2HD1 ILE 60 11.196 -3.600 0.885 464 H MET 61 H MET 61 11.083 0.633 -2.436 465 HA MET 61 HA MET 61 8.308 1.410 -2.362 466 HB2 MET 61 1HB MET 61 10.066 3.077 -2.016 467 HB3 MET 61 2HB MET 61 10.703 2.757 -3.623 468 HG2 MET 61 1HG MET 61 8.137 3.364 -4.211 469 HG3 MET 61 2HG MET 61 8.399 4.366 -2.786 470 HE1 MET 61 3HE MET 61 10.775 3.129 -5.575 471 HE2 MET 61 1HE MET 61 9.466 3.751 -6.581 472 HE3 MET 61 2HE MET 61 11.030 4.567 -6.566 473 H GLU 62 H GLU 62 6.899 1.587 -4.067 474 HA GLU 62 HA GLU 62 7.824 0.659 -6.696 475 HB2 GLU 62 1HB GLU 62 5.675 -0.502 -4.990 476 HB3 GLU 62 2HB GLU 62 5.401 -0.439 -6.726 477 HG2 GLU 62 1HG GLU 62 7.523 -1.918 -5.218 478 HG3 GLU 62 2HG GLU 62 6.314 -2.549 -6.334 479 H THR 63 H THR 63 7.219 1.965 -8.289 480 HA THR 63 HA THR 63 5.422 4.163 -7.731 481 HB THR 63 HB THR 63 6.859 3.505 -10.309 482 HG1 THR 63 1HG THR 63 8.565 4.152 -9.248 483 HG21 THR 63 3HG2 THR 63 4.846 5.371 -9.770 484 HG22 THR 63 1HG2 THR 63 5.898 5.318 -11.184 485 HG23 THR 63 2HG2 THR 63 6.348 6.296 -9.786 486 H ILE 64 H ILE 64 3.369 4.372 -8.396 487 HA ILE 64 HA ILE 64 2.321 2.390 -10.307 488 HB ILE 64 HB ILE 64 0.715 3.465 -7.997 489 HG12 ILE 64 1HG1 ILE 64 1.782 0.677 -7.989 490 HG13 ILE 64 2HG1 ILE 64 2.859 1.981 -7.500 491 HG21 ILE 64 1HG2 ILE 64 -0.516 1.243 -8.549 492 HG22 ILE 64 2HG2 ILE 64 -0.771 2.658 -9.569 493 HG23 ILE 64 3HG2 ILE 64 0.320 1.377 -10.097 494 HD11 ILE 64 3HD1 ILE 64 1.186 0.639 -5.845 495 HD12 ILE 64 1HD1 ILE 64 1.827 2.252 -5.539 496 HD13 ILE 64 2HD1 ILE 64 0.221 2.060 -6.242 497 H SER 65 H SER 65 0.616 3.077 -11.647 498 HA SER 65 HA SER 65 0.771 5.768 -12.492 499 HB2 SER 65 1HB SER 65 0.040 3.590 -13.776 500 HB3 SER 65 2HB SER 65 -1.569 4.044 -13.214 501 HG SER 65 HG SER 65 -1.469 5.184 -15.011 502 H GLY 66 H GLY 66 -0.339 7.530 -11.911 503 HA2 GLY 66 1HA GLY 66 -1.872 7.651 -9.595 504 HA3 GLY 66 2HA GLY 66 -1.859 8.882 -10.849 505 H ASP 67 H ASP 67 -2.799 6.556 -12.689 506 HA ASP 67 HA ASP 67 -5.596 7.186 -12.434 507 HB2 ASP 67 1HB ASP 67 -4.187 6.795 -14.602 508 HB3 ASP 67 2HB ASP 67 -4.534 5.094 -14.302 509 H ARG 68 H ARG 68 -3.544 4.363 -11.921 510 HA ARG 68 HA ARG 68 -5.791 2.680 -11.229 511 HB2 ARG 68 1HB ARG 68 -2.831 2.135 -10.943 512 HB3 ARG 68 2HB ARG 68 -4.125 0.949 -10.841 513 HG2 ARG 68 1HG ARG 68 -4.663 1.274 -13.171 514 HG3 ARG 68 2HG ARG 68 -3.465 2.564 -13.294 515 HD2 ARG 68 1HD ARG 68 -1.782 0.782 -12.508 516 HD3 ARG 68 2HD ARG 68 -3.034 -0.382 -12.938 517 HE ARG 68 HE ARG 68 -2.851 1.076 -15.175 518 HH11 ARG 68 1HH1 ARG 68 -0.418 -0.397 -13.168 519 HH12 ARG 68 2HH1 ARG 68 0.689 -0.656 -14.475 520 HH21 ARG 68 1HH2 ARG 68 -1.402 0.741 -16.904 521 HH22 ARG 68 2HH2 ARG 68 0.129 -0.007 -16.600 522 H LEU 69 H LEU 69 -6.097 1.705 -9.165 523 HA LEU 69 HA LEU 69 -4.946 3.249 -6.935 524 HB2 LEU 69 1HB LEU 69 -7.737 2.157 -7.241 525 HB3 LEU 69 2HB LEU 69 -7.094 2.826 -5.743 526 HG LEU 69 HG LEU 69 -7.196 4.457 -8.260 527 HD11 LEU 69 1HD1 LEU 69 -9.330 5.355 -6.917 528 HD12 LEU 69 2HD1 LEU 69 -9.421 3.645 -6.496 529 HD13 LEU 69 3HD1 LEU 69 -9.432 4.138 -8.190 530 HD21 LEU 69 3HD2 LEU 69 -7.192 5.159 -5.327 531 HD22 LEU 69 1HD2 LEU 69 -7.240 6.310 -6.663 532 HD23 LEU 69 2HD2 LEU 69 -5.821 5.288 -6.430 533 H THR 70 H THR 70 -4.480 0.499 -8.318 534 HA THR 70 HA THR 70 -4.176 -0.967 -5.793 535 HB THR 70 HB THR 70 -5.036 -2.989 -6.624 536 HG1 THR 70 1HG THR 70 -5.111 -3.473 -8.711 537 HG21 THR 70 3HG2 THR 70 -7.302 -2.517 -7.130 538 HG22 THR 70 1HG2 THR 70 -6.892 -0.974 -7.878 539 HG23 THR 70 2HG2 THR 70 -6.742 -1.175 -6.132 540 H HIS 71 H HIS 71 -2.563 -2.675 -5.887 541 HA HIS 71 HA HIS 71 -0.712 -2.559 -8.144 542 HB2 HIS 71 1HB HIS 71 0.202 -0.885 -6.680 543 HB3 HIS 71 2HB HIS 71 0.045 -1.946 -5.283 544 HD1 HIS 71 1HD HIS 71 2.086 -1.528 -8.428 545 HD2 HIS 71 2HD HIS 71 2.173 -3.634 -4.848 546 HE1 HIS 71 1HE HIS 71 4.360 -2.598 -8.333 547 HE2 HIS 71 2HE HIS 71 4.358 -3.936 -6.199 548 H GLN 72 H GLN 72 0.086 -4.506 -8.644 549 HA GLN 72 HA GLN 72 -0.449 -6.713 -6.785 550 HB2 GLN 72 1HB GLN 72 -1.429 -6.839 -9.066 551 HB3 GLN 72 2HB GLN 72 0.197 -6.830 -9.735 552 HG2 GLN 72 1HG GLN 72 0.500 -8.890 -8.122 553 HG3 GLN 72 2HG GLN 72 -1.252 -8.979 -8.291 554 HE21 GLN 72 1HE2 GLN 72 1.731 -9.727 -9.671 555 HE22 GLN 72 2HE2 GLN 72 1.164 -10.289 -11.203 556 H ILE 73 H ILE 73 1.150 -7.876 -5.900 557 HA ILE 73 HA ILE 73 3.903 -7.276 -6.763 558 HB ILE 73 HB ILE 73 3.016 -8.198 -4.028 559 HG12 ILE 73 1HG1 ILE 73 4.014 -5.448 -4.759 560 HG13 ILE 73 2HG1 ILE 73 2.300 -5.849 -4.760 561 HG21 ILE 73 1HG2 ILE 73 5.163 -8.542 -3.588 562 HG22 ILE 73 2HG2 ILE 73 5.530 -8.230 -5.284 563 HG23 ILE 73 3HG2 ILE 73 5.570 -6.909 -4.117 564 HD11 ILE 73 3HD1 ILE 73 4.069 -5.243 -2.550 565 HD12 ILE 73 1HD1 ILE 73 2.307 -5.233 -2.630 566 HD13 ILE 73 2HD1 ILE 73 3.167 -6.738 -2.302 567 H MET 74 H MET 74 5.357 -8.941 -7.036 568 HA MET 74 HA MET 74 4.295 -11.674 -6.778 569 HB2 MET 74 1HB MET 74 5.896 -10.547 -9.081 570 HB3 MET 74 2HB MET 74 5.522 -12.252 -8.868 571 HG2 MET 74 1HG MET 74 3.064 -11.461 -8.815 572 HG3 MET 74 2HG MET 74 3.696 -9.989 -9.550 573 HE1 MET 74 3HE MET 74 3.435 -9.725 -12.025 574 HE2 MET 74 1HE MET 74 5.159 -10.021 -11.797 575 HE3 MET 74 2HE MET 74 4.297 -10.807 -13.120 576 H ASP 75 H ASP 75 5.937 -13.343 -6.588 577 HA ASP 75 HA ASP 75 7.873 -14.247 -5.789 578 HB2 ASP 75 1HB ASP 75 9.179 -11.540 -6.024 579 HB3 ASP 75 2HB ASP 75 9.941 -13.127 -6.082 580 H LEU 76 H LEU 76 5.972 -13.494 -3.991 581 HA LEU 76 HA LEU 76 7.363 -12.097 -1.827 582 HB2 LEU 76 1HB LEU 76 4.511 -12.807 -2.369 583 HB3 LEU 76 2HB LEU 76 5.031 -12.461 -0.722 584 HG LEU 76 HG LEU 76 5.224 -10.570 -3.066 585 HD11 LEU 76 1HD1 LEU 76 3.588 -9.336 -1.390 586 HD12 LEU 76 2HD1 LEU 76 3.210 -10.996 -0.929 587 HD13 LEU 76 3HD1 LEU 76 2.999 -10.476 -2.601 588 HD21 LEU 76 3HD2 LEU 76 7.022 -10.147 -1.543 589 HD22 LEU 76 1HD2 LEU 76 5.938 -10.253 -0.155 590 HD23 LEU 76 2HD2 LEU 76 5.787 -8.913 -1.292 591 H ASN 77 H ASN 77 7.709 -13.019 0.192 592 HA ASN 77 HA ASN 77 8.459 -15.693 0.277 593 HB2 ASN 77 1HB ASN 77 7.935 -13.619 2.372 594 HB3 ASN 77 2HB ASN 77 8.224 -15.285 2.865 595 HD21 ASN 77 1HD2 ASN 77 9.976 -13.639 3.815 596 HD22 ASN 77 2HD2 ASN 77 11.475 -13.681 2.957 597 H LEU 78 H LEU 78 7.548 -17.161 2.170 598 HA LEU 78 HA LEU 78 4.635 -17.360 1.764 599 HB2 LEU 78 1HB LEU 78 6.700 -19.533 2.040 600 HB3 LEU 78 2HB LEU 78 4.964 -19.822 2.124 601 HG LEU 78 HG LEU 78 5.895 -20.399 -0.068 602 HD11 LEU 78 1HD1 LEU 78 3.871 -19.897 -0.811 603 HD12 LEU 78 2HD1 LEU 78 4.397 -18.238 -1.097 604 HD13 LEU 78 3HD1 LEU 78 3.683 -18.681 0.453 605 HD21 LEU 78 3HD2 LEU 78 6.371 -17.503 -0.625 606 HD22 LEU 78 1HD2 LEU 78 7.013 -18.926 -1.445 607 HD23 LEU 78 2HD2 LEU 78 7.633 -18.469 0.141 608 H ASP 79 H ASP 79 3.349 -17.924 3.511 609 HA ASP 79 HA ASP 79 2.711 -17.695 5.699 610 HB2 ASP 79 1HB ASP 79 3.542 -19.405 7.115 611 HB3 ASP 79 2HB ASP 79 3.635 -20.056 5.481 612 H THR 80 H THR 80 4.513 -15.640 4.783 613 HA THR 80 HA THR 80 5.839 -14.970 7.330 614 HB THR 80 HB THR 80 6.704 -14.159 4.548 615 HG1 THR 80 1HG THR 80 7.151 -16.387 5.664 616 HG21 THR 80 3HG2 THR 80 7.060 -12.442 6.348 617 HG22 THR 80 1HG2 THR 80 8.535 -13.015 5.571 618 HG23 THR 80 2HG2 THR 80 8.091 -13.613 7.169 619 H MET 81 H MET 81 5.466 -12.982 8.197 620 HA MET 81 HA MET 81 3.168 -11.551 7.299 621 HB2 MET 81 1HB MET 81 3.756 -11.760 9.684 622 HB3 MET 81 2HB MET 81 5.204 -10.801 9.406 623 HG2 MET 81 1HG MET 81 3.309 -9.551 10.417 624 HG3 MET 81 2HG MET 81 3.925 -8.862 8.916 625 HE1 MET 81 3HE MET 81 -0.034 -11.195 9.324 626 HE2 MET 81 1HE MET 81 1.543 -11.960 9.518 627 HE3 MET 81 2HE MET 81 1.003 -10.747 10.679 628 H TYR 82 H TYR 82 3.015 -9.749 6.095 629 HA TYR 82 HA TYR 82 5.505 -8.354 5.370 630 HB2 TYR 82 1HB TYR 82 3.392 -9.505 3.617 631 HB3 TYR 82 2HB TYR 82 4.108 -7.973 3.129 632 HD1 TYR 82 1HD TYR 82 6.805 -7.991 3.363 633 HD2 TYR 82 2HD TYR 82 4.343 -11.403 2.732 634 HE1 TYR 82 1HE TYR 82 8.724 -9.190 2.401 635 HE2 TYR 82 2HE TYR 82 6.256 -12.612 1.768 636 HH TYR 82 HH TYR 82 9.162 -11.060 0.902 637 H TYR 83 H TYR 83 5.460 -6.226 5.678 638 HA TYR 83 HA TYR 83 2.970 -4.981 6.513 639 HB2 TYR 83 1HB TYR 83 5.698 -3.698 6.370 640 HB3 TYR 83 2HB TYR 83 4.311 -3.175 7.319 641 HD1 TYR 83 1HD TYR 83 3.426 -5.608 8.632 642 HD2 TYR 83 2HD TYR 83 7.383 -4.247 7.863 643 HE1 TYR 83 1HE TYR 83 4.241 -6.915 10.550 644 HE2 TYR 83 2HE TYR 83 8.210 -5.551 9.777 645 HH TYR 83 HH TYR 83 6.527 -7.970 11.219 646 H PHE 84 H PHE 84 1.895 -3.405 5.433 647 HA PHE 84 HA PHE 84 2.947 -2.651 2.785 648 HB2 PHE 84 1HB PHE 84 0.106 -3.196 3.652 649 HB3 PHE 84 2HB PHE 84 0.511 -2.400 2.135 650 HD1 PHE 84 2HD PHE 84 0.617 -5.548 4.003 651 HD2 PHE 84 1HD PHE 84 1.452 -3.627 0.298 652 HE1 PHE 84 2HE PHE 84 0.880 -7.745 2.927 653 HE2 PHE 84 1HE PHE 84 1.715 -5.821 -0.785 654 HZ PHE 84 HZ PHE 84 1.430 -7.884 0.531 655 H ARG 85 H ARG 85 2.977 -0.533 2.243 656 HA ARG 85 HA ARG 85 1.478 1.414 3.782 657 HB2 ARG 85 1HB ARG 85 4.499 1.372 3.755 658 HB3 ARG 85 2HB ARG 85 3.541 2.757 4.261 659 HG2 ARG 85 1HG ARG 85 2.487 1.258 5.986 660 HG3 ARG 85 2HG ARG 85 3.712 0.058 5.568 661 HD2 ARG 85 1HD ARG 85 4.780 1.099 7.294 662 HD3 ARG 85 2HD ARG 85 5.335 2.107 5.958 663 HE ARG 85 HE ARG 85 2.916 3.016 7.251 664 HH11 ARG 85 1HH1 ARG 85 6.392 3.176 7.146 665 HH12 ARG 85 2HH1 ARG 85 6.475 4.711 7.944 666 HH21 ARG 85 1HH2 ARG 85 3.013 5.038 8.302 667 HH22 ARG 85 2HH2 ARG 85 4.553 5.769 8.602 668 H ILE 86 H ILE 86 0.502 2.408 2.132 669 HA ILE 86 HA ILE 86 2.141 3.214 -0.180 670 HB ILE 86 HB ILE 86 0.246 1.694 -0.699 671 HG12 ILE 86 1HG1 ILE 86 -0.136 4.476 -1.821 672 HG13 ILE 86 2HG1 ILE 86 1.139 3.373 -2.327 673 HG21 ILE 86 1HG2 ILE 86 -1.699 1.988 0.330 674 HG22 ILE 86 2HG2 ILE 86 -1.163 3.536 0.981 675 HG23 ILE 86 3HG2 ILE 86 -1.931 3.466 -0.604 676 HD11 ILE 86 3HD1 ILE 86 -0.557 1.780 -3.084 677 HD12 ILE 86 1HD1 ILE 86 -1.821 2.912 -2.603 678 HD13 ILE 86 2HD1 ILE 86 -0.699 3.340 -3.895 679 H GLN 87 H GLN 87 1.546 5.276 -1.201 680 HA GLN 87 HA GLN 87 0.226 7.201 0.553 681 HB2 GLN 87 1HB GLN 87 2.100 8.811 0.278 682 HB3 GLN 87 2HB GLN 87 2.535 7.391 1.219 683 HG2 GLN 87 1HG GLN 87 3.477 6.436 -0.933 684 HG3 GLN 87 2HG GLN 87 3.301 8.057 -1.602 685 HE21 GLN 87 1HE2 GLN 87 3.856 9.152 1.146 686 HE22 GLN 87 2HE2 GLN 87 5.574 9.069 1.301 687 H ALA 88 H ALA 88 0.518 9.497 -0.704 688 HA ALA 88 HA ALA 88 -0.287 8.970 -3.491 689 HB1 ALA 88 3HB ALA 88 -1.374 11.108 -1.663 690 HB2 ALA 88 1HB ALA 88 -1.859 10.815 -3.333 691 HB3 ALA 88 2HB ALA 88 -2.198 9.608 -2.092 692 H ARG 89 H ARG 89 0.626 10.181 -5.064 693 HA ARG 89 HA ARG 89 2.297 12.464 -4.264 694 HB2 ARG 89 1HB ARG 89 3.891 10.744 -4.567 695 HB3 ARG 89 2HB ARG 89 3.069 10.125 -5.994 696 HG2 ARG 89 1HG ARG 89 3.707 12.127 -7.236 697 HG3 ARG 89 2HG ARG 89 4.525 12.754 -5.804 698 HD2 ARG 89 1HD ARG 89 6.057 10.866 -5.830 699 HD3 ARG 89 2HD ARG 89 5.215 10.182 -7.220 700 HE ARG 89 HE ARG 89 6.342 11.641 -8.575 701 HH11 ARG 89 1HH1 ARG 89 6.615 12.708 -5.272 702 HH12 ARG 89 2HH1 ARG 89 7.768 13.951 -5.632 703 HH21 ARG 89 1HH2 ARG 89 7.860 13.273 -9.061 704 HH22 ARG 89 2HH2 ARG 89 8.475 14.272 -7.787 705 H ASN 90 H ASN 90 1.918 14.241 -5.416 706 HA ASN 90 HA ASN 90 0.514 13.953 -7.991 707 HB2 ASN 90 1HB ASN 90 -0.358 16.290 -7.488 708 HB3 ASN 90 2HB ASN 90 -0.996 14.993 -6.482 709 HD21 ASN 90 1HD2 ASN 90 -1.510 16.280 -4.763 710 HD22 ASN 90 2HD2 ASN 90 -0.327 17.053 -3.769 711 H SER 91 H SER 91 0.807 15.967 -9.404 712 HA SER 91 HA SER 91 3.342 16.163 -10.350 713 HB2 SER 91 1HB SER 91 1.348 18.442 -10.320 714 HB3 SER 91 2HB SER 91 2.696 18.251 -11.441 715 HG SER 91 HG SER 91 0.503 17.522 -12.129 716 H LYS 92 H LYS 92 2.109 17.606 -7.481 717 HA LYS 92 HA LYS 92 4.195 19.581 -7.232 718 HB2 LYS 92 1HB LYS 92 2.438 18.639 -4.982 719 HB3 LYS 92 2HB LYS 92 3.158 20.225 -5.223 720 HG2 LYS 92 1HG LYS 92 1.128 19.178 -7.151 721 HG3 LYS 92 2HG LYS 92 0.629 19.908 -5.623 722 HD2 LYS 92 1HD LYS 92 2.612 21.391 -7.255 723 HD3 LYS 92 2HD LYS 92 0.953 21.330 -7.856 724 HE2 LYS 92 1HE LYS 92 1.017 23.260 -6.541 725 HE3 LYS 92 2HE LYS 92 0.272 22.051 -5.496 726 HZ1 LYS 92 3HZ LYS 92 2.353 23.597 -4.798 727 HZ2 LYS 92 1HZ LYS 92 3.148 22.191 -5.301 728 HZ3 LYS 92 2HZ LYS 92 1.983 22.111 -4.078 729 H GLY 93 H GLY 93 3.291 16.821 -5.150 730 HA2 GLY 93 1HA GLY 93 5.961 15.798 -5.091 731 HA3 GLY 93 2HA GLY 93 5.578 16.693 -3.628 732 H VAL 94 H VAL 94 5.810 14.774 -2.401 733 HA VAL 94 HA VAL 94 3.465 13.004 -2.588 734 HB VAL 94 HB VAL 94 5.456 11.814 -3.427 735 HG11 VAL 94 1HG1 VAL 94 6.862 13.186 -1.571 736 HG12 VAL 94 2HG1 VAL 94 6.697 11.625 -0.765 737 HG13 VAL 94 3HG1 VAL 94 7.439 11.720 -2.363 738 HG21 VAL 94 3HG2 VAL 94 3.683 10.979 -1.369 739 HG22 VAL 94 1HG2 VAL 94 4.443 10.008 -2.629 740 HG23 VAL 94 2HG2 VAL 94 5.254 10.234 -1.080 741 H GLY 95 H GLY 95 2.529 12.394 -0.668 742 HA2 GLY 95 1HA GLY 95 3.423 13.903 1.682 743 HA3 GLY 95 2HA GLY 95 1.830 13.197 1.455 744 HA PRO 96 HA PRO 96 4.084 10.461 4.393 745 HB2 PRO 96 1HB PRO 96 1.921 10.011 5.971 746 HB3 PRO 96 2HB PRO 96 2.978 11.414 6.167 747 HG2 PRO 96 1HG PRO 96 0.327 11.216 4.789 748 HG3 PRO 96 2HG PRO 96 0.934 12.483 5.871 749 HD2 PRO 96 1HD PRO 96 0.913 12.755 3.177 750 HD3 PRO 96 2HD PRO 96 2.158 13.498 4.202 751 H LEU 97 H LEU 97 2.916 8.307 5.393 752 HA LEU 97 HA LEU 97 1.636 6.942 3.119 753 HB2 LEU 97 1HB LEU 97 3.545 5.605 5.012 754 HB3 LEU 97 2HB LEU 97 2.937 5.006 3.470 755 HG LEU 97 HG LEU 97 4.237 7.152 2.575 756 HD11 LEU 97 1HD1 LEU 97 4.904 7.825 4.867 757 HD12 LEU 97 2HD1 LEU 97 6.270 7.552 3.786 758 HD13 LEU 97 3HD1 LEU 97 5.843 6.338 4.991 759 HD21 LEU 97 3HD2 LEU 97 4.522 4.656 2.085 760 HD22 LEU 97 1HD2 LEU 97 5.804 4.696 3.296 761 HD23 LEU 97 2HD2 LEU 97 5.924 5.702 1.852 762 H SER 98 H SER 98 0.632 4.799 3.854 763 HA SER 98 HA SER 98 -1.106 5.400 6.096 764 HB2 SER 98 1HB SER 98 -2.435 3.518 5.339 765 HB3 SER 98 2HB SER 98 -2.006 4.511 3.946 766 HG SER 98 HG SER 98 -0.884 2.038 4.745 767 H ASP 99 H ASP 99 -1.666 3.604 7.630 768 HA ASP 99 HA ASP 99 0.605 2.822 9.079 769 HB2 ASP 99 1HB ASP 99 -2.192 1.677 9.235 770 HB3 ASP 99 2HB ASP 99 -0.941 1.523 10.466 771 HA PRO 100 HA PRO 100 1.930 -0.871 7.097 772 HB2 PRO 100 1HB PRO 100 3.113 -2.117 9.199 773 HB3 PRO 100 2HB PRO 100 3.822 -0.715 8.390 774 HG2 PRO 100 1HG PRO 100 2.252 -0.839 10.935 775 HG3 PRO 100 2HG PRO 100 3.722 0.084 10.572 776 HD2 PRO 100 1HD PRO 100 1.257 1.207 10.565 777 HD3 PRO 100 2HD PRO 100 2.558 1.750 9.485 778 H ILE 101 H ILE 101 0.246 -2.145 6.493 779 HA ILE 101 HA ILE 101 -1.476 -3.430 8.397 780 HB ILE 101 HB ILE 101 -1.229 -3.897 5.423 781 HG12 ILE 101 1HG1 ILE 101 -3.092 -2.120 7.012 782 HG13 ILE 101 2HG1 ILE 101 -1.827 -1.586 5.911 783 HG21 ILE 101 1HG2 ILE 101 -2.344 -5.765 6.222 784 HG22 ILE 101 2HG2 ILE 101 -3.155 -4.860 7.499 785 HG23 ILE 101 3HG2 ILE 101 -3.666 -4.669 5.822 786 HD11 ILE 101 3HD1 ILE 101 -3.166 -2.997 4.168 787 HD12 ILE 101 1HD1 ILE 101 -4.488 -2.769 5.312 788 HD13 ILE 101 2HD1 ILE 101 -3.686 -1.368 4.600 789 H LEU 102 H LEU 102 -1.455 -5.505 9.100 790 HA LEU 102 HA LEU 102 0.945 -7.065 8.498 791 HB2 LEU 102 1HB LEU 102 -0.973 -6.923 10.755 792 HB3 LEU 102 2HB LEU 102 -0.210 -8.480 10.439 793 HG LEU 102 HG LEU 102 2.012 -7.248 10.590 794 HD11 LEU 102 1HD1 LEU 102 0.783 -4.989 10.399 795 HD12 LEU 102 2HD1 LEU 102 2.131 -5.129 11.526 796 HD13 LEU 102 3HD1 LEU 102 0.473 -5.188 12.124 797 HD21 LEU 102 3HD2 LEU 102 2.141 -8.048 12.669 798 HD22 LEU 102 1HD2 LEU 102 0.442 -8.484 12.483 799 HD23 LEU 102 2HD2 LEU 102 0.882 -6.961 13.258 800 H PHE 103 H PHE 103 0.612 -8.205 6.666 801 HA PHE 103 HA PHE 103 -1.687 -10.043 6.649 802 HB2 PHE 103 1HB PHE 103 -2.138 -8.330 5.004 803 HB3 PHE 103 2HB PHE 103 -0.531 -8.517 4.309 804 HD1 PHE 103 1HD PHE 103 -3.675 -10.399 4.939 805 HD2 PHE 103 2HD PHE 103 -0.208 -9.940 2.514 806 HE1 PHE 103 1HE PHE 103 -4.556 -12.076 3.369 807 HE2 PHE 103 2HE PHE 103 -1.084 -11.614 0.939 808 HZ PHE 103 HZ PHE 103 -3.261 -12.684 1.364 809 H ARG 104 H ARG 104 -1.055 -12.087 6.704 810 HA ARG 104 HA ARG 104 1.677 -12.765 5.917 811 HB2 ARG 104 1HB ARG 104 0.579 -13.456 8.146 812 HB3 ARG 104 2HB ARG 104 -0.296 -14.644 7.189 813 HG2 ARG 104 1HG ARG 104 1.562 -15.906 6.796 814 HG3 ARG 104 2HG ARG 104 2.657 -14.527 6.913 815 HD2 ARG 104 1HD ARG 104 2.766 -14.633 9.200 816 HD3 ARG 104 2HD ARG 104 1.169 -15.366 9.348 817 HE ARG 104 HE ARG 104 2.708 -17.260 8.105 818 HH11 ARG 104 1HH1 ARG 104 2.875 -15.486 11.095 819 HH12 ARG 104 2HH1 ARG 104 3.701 -16.747 11.949 820 HH21 ARG 104 1HH2 ARG 104 3.796 -18.928 9.217 821 HH22 ARG 104 2HH2 ARG 104 4.226 -18.704 10.879 822 H THR 105 H THR 105 2.122 -13.738 4.058 823 HA THR 105 HA THR 105 0.187 -14.264 2.099 824 HB THR 105 HB THR 105 2.167 -15.697 1.100 825 HG1 THR 105 1HG THR 105 3.216 -15.456 3.319 826 HG21 THR 105 3HG2 THR 105 2.693 -13.853 -0.109 827 HG22 THR 105 1HG2 THR 105 2.941 -12.854 1.323 828 HG23 THR 105 2HG2 THR 105 1.306 -13.169 0.740 829 H LEU 106 H LEU 106 -0.537 -16.233 1.191 830 HA LEU 106 HA LEU 106 -1.399 -18.161 3.007 831 HB2 LEU 106 1HB LEU 106 -1.326 -17.899 0.066 832 HB3 LEU 106 2HB LEU 106 -1.523 -19.532 0.699 833 HG LEU 106 HG LEU 106 -3.338 -17.186 1.259 834 HD11 LEU 106 1HD1 LEU 106 -4.961 -18.399 -0.087 835 HD12 LEU 106 2HD1 LEU 106 -3.771 -19.658 -0.413 836 HD13 LEU 106 3HD1 LEU 106 -3.518 -18.026 -1.032 837 HD21 LEU 106 3HD2 LEU 106 -4.129 -18.343 2.977 838 HD22 LEU 106 1HD2 LEU 106 -2.915 -19.593 2.703 839 HD23 LEU 106 2HD2 LEU 106 -4.485 -19.700 1.908 840 H LYS 107 H LYS 107 -0.918 -20.528 2.886 841 HA LYS 107 HA LYS 107 1.985 -20.909 2.935 842 HB2 LYS 107 1HB LYS 107 -0.304 -22.483 4.112 843 HB3 LYS 107 2HB LYS 107 1.352 -23.076 4.106 844 HG2 LYS 107 1HG LYS 107 1.400 -22.107 6.134 845 HG3 LYS 107 2HG LYS 107 1.749 -20.656 5.191 846 HD2 LYS 107 1HD LYS 107 -1.097 -21.381 5.684 847 HD3 LYS 107 2HD LYS 107 -0.163 -20.689 7.012 848 HE2 LYS 107 1HE LYS 107 0.516 -18.961 5.107 849 HE3 LYS 107 2HE LYS 107 -1.042 -19.465 4.454 850 HZ1 LYS 107 3HZ LYS 107 -0.596 -18.394 7.188 851 HZ2 LYS 107 1HZ LYS 107 -2.088 -18.842 6.530 852 HZ3 LYS 107 2HZ LYS 107 -1.243 -17.524 5.890 853 H VAL 108 H VAL 108 2.936 -21.809 1.241 854 HA VAL 108 HA VAL 108 1.345 -23.406 -0.624 855 HB VAL 108 HB VAL 108 2.763 -21.517 -1.469 856 HG11 VAL 108 1HG1 VAL 108 4.656 -21.965 0.109 857 HG12 VAL 108 2HG1 VAL 108 5.079 -23.355 -0.893 858 HG13 VAL 108 3HG1 VAL 108 5.136 -21.728 -1.571 859 HG21 VAL 108 3HG2 VAL 108 4.041 -23.429 -3.041 860 HG22 VAL 108 1HG2 VAL 108 2.576 -24.221 -2.463 861 HG23 VAL 108 2HG2 VAL 108 2.466 -22.693 -3.336 862 H SER 109 H SER 109 2.202 -24.462 1.968 863 HA SER 109 HA SER 109 4.294 -26.375 1.329 864 HB2 SER 109 1HB SER 109 4.008 -25.210 3.598 865 HB3 SER 109 2HB SER 109 2.658 -26.313 3.863 866 HG SER 109 HG SER 109 4.468 -27.272 4.710 867 H GLY 110 H GLY 110 3.389 -27.705 -0.234 868 HA2 GLY 110 1HA GLY 110 2.250 -29.546 -0.997 869 HA3 GLY 110 2HA GLY 110 1.924 -29.927 0.687 870 HA PRO 111 HA PRO 111 -1.906 -28.359 -1.722 871 HB2 PRO 111 1HB PRO 111 -3.040 -30.741 -2.365 872 HB3 PRO 111 2HB PRO 111 -1.923 -29.888 -3.437 873 HG2 PRO 111 1HG PRO 111 -1.391 -32.175 -1.580 874 HG3 PRO 111 2HG PRO 111 -0.819 -31.925 -3.240 875 HD2 PRO 111 1HD PRO 111 0.730 -31.430 -1.075 876 HD3 PRO 111 2HD PRO 111 0.864 -30.496 -2.578 877 H SER 112 H SER 112 -3.862 -28.164 -0.703 878 HA SER 112 HA SER 112 -4.121 -28.660 1.981 879 HB2 SER 112 1HB SER 112 -5.593 -27.240 0.354 880 HB3 SER 112 2HB SER 112 -6.567 -28.705 0.241 881 HG SER 112 HG SER 112 -7.145 -27.134 1.937 882 H SER 113 H SER 113 -4.895 -30.272 3.261 883 HA SER 113 HA SER 113 -5.080 -32.494 3.836 884 HB2 SER 113 1HB SER 113 -7.427 -31.592 3.319 885 HB3 SER 113 2HB SER 113 -7.314 -32.497 1.810 886 HG SER 113 HG SER 113 -7.846 -33.388 4.306 887 H GLY 114 H GLY 114 -3.090 -32.222 1.916 888 HA2 GLY 114 1HA GLY 114 -3.538 -34.191 -0.166 889 HA3 GLY 114 2HA GLY 114 -2.060 -33.282 0.114 Start of MODEL 20 1 H1 GLY 1 H GLY 1 13.745 24.844 -9.171 2 HA2 GLY 1 1HA GLY 1 14.782 24.092 -6.926 3 HA3 GLY 1 2HA GLY 1 13.404 25.180 -6.841 4 H SER 2 H SER 2 14.399 23.040 -5.006 5 HA SER 2 HA SER 2 12.476 20.922 -5.101 6 HB2 SER 2 1HB SER 2 14.559 20.408 -4.068 7 HB3 SER 2 2HB SER 2 14.461 21.814 -3.007 8 HG SER 2 HG SER 2 13.833 20.131 -1.765 9 H SER 3 H SER 3 12.861 23.867 -3.168 10 HA SER 3 HA SER 3 10.496 23.409 -1.622 11 HB2 SER 3 1HB SER 3 12.261 25.834 -1.993 12 HB3 SER 3 2HB SER 3 10.855 25.821 -0.929 13 HG SER 3 HG SER 3 11.879 24.544 0.441 14 H GLY 4 H GLY 4 8.480 24.336 -1.818 15 HA2 GLY 4 1HA GLY 4 7.199 26.195 -2.933 16 HA3 GLY 4 2HA GLY 4 7.950 25.634 -4.419 17 H SER 5 H SER 5 7.702 22.950 -4.313 18 HA SER 5 HA SER 5 4.938 22.586 -4.919 19 HB2 SER 5 1HB SER 5 7.349 20.793 -4.906 20 HB3 SER 5 2HB SER 5 5.736 20.112 -5.118 21 HG SER 5 HG SER 5 7.087 21.978 -6.757 22 H SER 6 H SER 6 3.347 22.028 -3.597 23 HA SER 6 HA SER 6 4.041 20.794 -1.012 24 HB2 SER 6 1HB SER 6 2.033 22.881 -1.760 25 HB3 SER 6 2HB SER 6 1.671 21.800 -0.414 26 HG SER 6 HG SER 6 4.193 22.988 -0.477 27 H GLY 7 H GLY 7 3.902 18.685 -1.933 28 HA2 GLY 7 1HA GLY 7 1.768 17.644 -3.377 29 HA3 GLY 7 2HA GLY 7 2.810 16.703 -2.319 30 HA PRO 8 HA PRO 8 -1.505 16.521 -0.639 31 HB2 PRO 8 1HB PRO 8 -1.474 13.840 -0.208 32 HB3 PRO 8 2HB PRO 8 -1.934 14.559 -1.756 33 HG2 PRO 8 1HG PRO 8 0.682 13.362 -0.926 34 HG3 PRO 8 2HG PRO 8 -0.202 13.172 -2.452 35 HD2 PRO 8 1HD PRO 8 1.904 14.854 -2.187 36 HD3 PRO 8 2HD PRO 8 0.546 15.188 -3.282 37 H THR 9 H THR 9 -2.040 16.506 1.500 38 HA THR 9 HA THR 9 0.151 15.988 3.390 39 HB THR 9 HB THR 9 -1.227 17.359 4.990 40 HG1 THR 9 1HG THR 9 -2.636 18.376 2.785 41 HG21 THR 9 3HG2 THR 9 -0.367 19.378 4.224 42 HG22 THR 9 1HG2 THR 9 -0.668 18.981 2.533 43 HG23 THR 9 2HG2 THR 9 0.651 18.196 3.402 44 H SER 10 H SER 10 -1.865 14.050 2.192 45 HA SER 10 HA SER 10 -2.459 12.693 4.688 46 HB2 SER 10 1HB SER 10 -4.487 13.996 4.387 47 HB3 SER 10 2HB SER 10 -4.634 13.442 2.719 48 HG SER 10 HG SER 10 -5.470 12.252 4.987 49 H ALA 11 H ALA 11 -2.535 10.487 4.489 50 HA ALA 11 HA ALA 11 -1.561 9.411 1.982 51 HB1 ALA 11 3HB ALA 11 -1.354 8.702 4.732 52 HB2 ALA 11 1HB ALA 11 -2.028 7.336 3.844 53 HB3 ALA 11 2HB ALA 11 -0.486 8.035 3.349 54 HA PRO 12 HA PRO 12 -5.225 7.526 0.470 55 HB2 PRO 12 1HB PRO 12 -4.476 4.985 -0.124 56 HB3 PRO 12 2HB PRO 12 -3.946 6.387 -1.062 57 HG2 PRO 12 1HG PRO 12 -2.492 4.879 1.077 58 HG3 PRO 12 2HG PRO 12 -1.883 5.490 -0.472 59 HD2 PRO 12 1HD PRO 12 -1.448 6.773 1.873 60 HD3 PRO 12 2HD PRO 12 -1.628 7.636 0.331 61 H LYS 13 H LYS 13 -6.829 5.778 0.761 62 HA LYS 13 HA LYS 13 -6.696 4.545 3.431 63 HB2 LYS 13 1HB LYS 13 -9.280 4.934 3.382 64 HB3 LYS 13 2HB LYS 13 -8.208 6.240 3.868 65 HG2 LYS 13 1HG LYS 13 -8.318 7.120 1.550 66 HG3 LYS 13 2HG LYS 13 -9.515 5.876 1.182 67 HD2 LYS 13 1HD LYS 13 -11.038 6.783 2.804 68 HD3 LYS 13 2HD LYS 13 -9.819 7.926 3.374 69 HE2 LYS 13 1HE LYS 13 -10.993 9.300 1.984 70 HE3 LYS 13 2HE LYS 13 -9.836 8.646 0.826 71 HZ1 LYS 13 3HZ LYS 13 -12.639 8.459 0.792 72 HZ2 LYS 13 1HZ LYS 13 -12.002 6.898 0.926 73 HZ3 LYS 13 2HZ LYS 13 -11.532 7.896 -0.356 74 H ASP 14 H ASP 14 -8.903 3.064 3.504 75 HA ASP 14 HA ASP 14 -9.663 1.001 2.898 76 HB2 ASP 14 1HB ASP 14 -10.988 2.332 1.360 77 HB3 ASP 14 2HB ASP 14 -9.666 2.362 0.197 78 H LEU 15 H LEU 15 -6.856 1.173 3.107 79 HA LEU 15 HA LEU 15 -5.668 -0.171 0.853 80 HB2 LEU 15 1HB LEU 15 -4.389 1.401 2.228 81 HB3 LEU 15 2HB LEU 15 -4.592 0.343 3.623 82 HG LEU 15 HG LEU 15 -3.288 -1.400 2.401 83 HD11 LEU 15 1HD1 LEU 15 -3.326 0.717 0.341 84 HD12 LEU 15 2HD1 LEU 15 -3.272 -1.037 0.170 85 HD13 LEU 15 3HD1 LEU 15 -1.804 -0.145 0.565 86 HD21 LEU 15 3HD2 LEU 15 -1.332 -0.614 3.237 87 HD22 LEU 15 1HD2 LEU 15 -2.412 0.576 3.963 88 HD23 LEU 15 2HD2 LEU 15 -1.522 0.975 2.494 89 H THR 16 H THR 16 -6.262 -2.212 0.479 90 HA THR 16 HA THR 16 -6.188 -4.100 2.740 91 HB THR 16 HB THR 16 -8.045 -4.299 0.363 92 HG1 THR 16 1HG THR 16 -9.658 -3.815 1.999 93 HG21 THR 16 3HG2 THR 16 -7.660 -6.479 1.134 94 HG22 THR 16 1HG2 THR 16 -9.145 -5.993 1.950 95 HG23 THR 16 2HG2 THR 16 -7.612 -5.970 2.822 96 H VAL 17 H VAL 17 -5.531 -6.256 2.236 97 HA VAL 17 HA VAL 17 -4.132 -6.554 -0.336 98 HB VAL 17 HB VAL 17 -3.027 -7.371 2.355 99 HG11 VAL 17 1HG1 VAL 17 -1.847 -7.619 -0.411 100 HG12 VAL 17 2HG1 VAL 17 -1.023 -8.013 1.099 101 HG13 VAL 17 3HG1 VAL 17 -2.432 -8.946 0.593 102 HG21 VAL 17 3HG2 VAL 17 -1.209 -5.685 1.190 103 HG22 VAL 17 1HG2 VAL 17 -2.750 -4.955 0.736 104 HG23 VAL 17 2HG2 VAL 17 -2.371 -5.230 2.437 105 H ILE 18 H ILE 18 -4.657 -8.358 -1.377 106 HA ILE 18 HA ILE 18 -5.592 -10.674 0.174 107 HB ILE 18 HB ILE 18 -7.284 -11.140 -1.568 108 HG12 ILE 18 1HG1 ILE 18 -6.867 -8.319 -2.536 109 HG13 ILE 18 2HG1 ILE 18 -6.046 -9.682 -3.289 110 HG21 ILE 18 1HG2 ILE 18 -8.262 -10.196 0.286 111 HG22 ILE 18 2HG2 ILE 18 -7.392 -8.674 0.103 112 HG23 ILE 18 3HG2 ILE 18 -8.740 -9.053 -0.968 113 HD11 ILE 18 3HD1 ILE 18 -8.231 -10.695 -3.772 114 HD12 ILE 18 1HD1 ILE 18 -9.019 -9.278 -3.080 115 HD13 ILE 18 2HD1 ILE 18 -8.028 -9.116 -4.530 116 H THR 19 H THR 19 -5.010 -12.667 -0.604 117 HA THR 19 HA THR 19 -2.776 -12.740 -2.396 118 HB THR 19 HB THR 19 -2.911 -14.259 -0.464 119 HG1 THR 19 1HG THR 19 -1.989 -14.815 -2.744 120 HG21 THR 19 3HG2 THR 19 -4.627 -15.654 -0.056 121 HG22 THR 19 1HG2 THR 19 -4.775 -16.123 -1.749 122 HG23 THR 19 2HG2 THR 19 -5.521 -14.630 -1.178 123 H ARG 20 H ARG 20 -2.820 -12.964 -4.529 124 HA ARG 20 HA ARG 20 -5.106 -13.013 -6.079 125 HB2 ARG 20 1HB ARG 20 -2.600 -12.571 -6.697 126 HB3 ARG 20 2HB ARG 20 -2.589 -14.285 -7.088 127 HG2 ARG 20 1HG ARG 20 -3.996 -14.030 -8.878 128 HG3 ARG 20 2HG ARG 20 -4.738 -12.569 -8.223 129 HD2 ARG 20 1HD ARG 20 -2.981 -11.217 -8.905 130 HD3 ARG 20 2HD ARG 20 -1.854 -12.569 -9.012 131 HE ARG 20 HE ARG 20 -3.519 -11.587 -11.084 132 HH11 ARG 20 1HH1 ARG 20 -2.221 -14.533 -9.759 133 HH12 ARG 20 2HH1 ARG 20 -2.271 -15.387 -11.266 134 HH21 ARG 20 1HH2 ARG 20 -3.590 -12.700 -13.074 135 HH22 ARG 20 2HH2 ARG 20 -3.049 -14.343 -13.151 136 H GLU 21 H GLU 21 -6.328 -14.571 -7.065 137 HA GLU 21 HA GLU 21 -6.344 -17.162 -5.834 138 HB2 GLU 21 1HB GLU 21 -8.368 -17.540 -6.980 139 HB3 GLU 21 2HB GLU 21 -8.379 -15.827 -6.588 140 HG2 GLU 21 1HG GLU 21 -7.404 -16.801 -9.244 141 HG3 GLU 21 2HG GLU 21 -9.121 -16.555 -8.929 142 H GLY 22 H GLY 22 -4.770 -15.816 -8.514 143 HA2 GLY 22 1HA GLY 22 -4.517 -18.409 -9.870 144 HA3 GLY 22 2HA GLY 22 -4.059 -16.850 -10.539 145 H LYS 23 H LYS 23 -2.766 -16.264 -7.827 146 HA LYS 23 HA LYS 23 -0.510 -18.092 -7.832 147 HB2 LYS 23 1HB LYS 23 -0.186 -15.155 -8.477 148 HB3 LYS 23 2HB LYS 23 1.137 -16.257 -8.118 149 HG2 LYS 23 1HG LYS 23 0.555 -17.591 -10.085 150 HG3 LYS 23 2HG LYS 23 -0.761 -16.472 -10.448 151 HD2 LYS 23 1HD LYS 23 0.732 -14.712 -10.926 152 HD3 LYS 23 2HD LYS 23 2.092 -15.557 -10.183 153 HE2 LYS 23 1HE LYS 23 0.661 -16.677 -12.572 154 HE3 LYS 23 2HE LYS 23 1.954 -15.492 -12.748 155 HZ1 LYS 23 3HZ LYS 23 3.331 -17.062 -11.353 156 HZ2 LYS 23 1HZ LYS 23 2.972 -17.579 -12.924 157 HZ3 LYS 23 2HZ LYS 23 2.122 -18.218 -11.608 158 HA PRO 24 HA PRO 24 -0.935 -17.104 -3.531 159 HB2 PRO 24 1HB PRO 24 1.216 -18.515 -2.664 160 HB3 PRO 24 2HB PRO 24 -0.307 -19.278 -3.136 161 HG2 PRO 24 1HG PRO 24 2.223 -18.970 -4.706 162 HG3 PRO 24 2HG PRO 24 1.159 -20.382 -4.565 163 HD2 PRO 24 1HD PRO 24 1.099 -18.719 -6.701 164 HD3 PRO 24 2HD PRO 24 -0.347 -19.556 -6.102 165 H ARG 25 H ARG 25 2.313 -16.989 -5.000 166 HA ARG 25 HA ARG 25 3.411 -15.222 -3.088 167 HB2 ARG 25 1HB ARG 25 4.220 -15.947 -5.900 168 HB3 ARG 25 2HB ARG 25 5.145 -14.821 -4.916 169 HG2 ARG 25 1HG ARG 25 5.940 -16.447 -3.547 170 HG3 ARG 25 2HG ARG 25 4.503 -17.456 -3.727 171 HD2 ARG 25 1HD ARG 25 6.200 -17.043 -6.124 172 HD3 ARG 25 2HD ARG 25 6.838 -18.076 -4.845 173 HE ARG 25 HE ARG 25 4.692 -18.681 -6.649 174 HH11 ARG 25 1HH1 ARG 25 6.043 -19.336 -3.507 175 HH12 ARG 25 2HH1 ARG 25 5.311 -20.901 -3.375 176 HH21 ARG 25 1HH2 ARG 25 3.723 -20.740 -6.486 177 HH22 ARG 25 2HH2 ARG 25 3.992 -21.699 -5.070 178 H ALA 26 H ALA 26 1.205 -14.717 -5.604 179 HA ALA 26 HA ALA 26 1.891 -11.886 -5.892 180 HB1 ALA 26 3HB ALA 26 -0.449 -12.807 -7.357 181 HB2 ALA 26 1HB ALA 26 1.004 -11.992 -7.936 182 HB3 ALA 26 2HB ALA 26 1.002 -13.743 -7.715 183 H VAL 27 H VAL 27 0.544 -10.231 -5.277 184 HA VAL 27 HA VAL 27 -1.979 -10.915 -3.951 185 HB VAL 27 HB VAL 27 -1.459 -9.403 -2.068 186 HG11 VAL 27 1HG1 VAL 27 0.783 -11.264 -1.843 187 HG12 VAL 27 2HG1 VAL 27 -0.684 -11.129 -0.871 188 HG13 VAL 27 3HG1 VAL 27 -0.714 -12.014 -2.397 189 HG21 VAL 27 3HG2 VAL 27 1.442 -9.499 -2.620 190 HG22 VAL 27 1HG2 VAL 27 0.491 -8.378 -3.596 191 HG23 VAL 27 2HG2 VAL 27 0.476 -8.249 -1.837 192 H ILE 28 H ILE 28 -3.447 -9.143 -3.741 193 HA ILE 28 HA ILE 28 -2.880 -6.957 -5.634 194 HB ILE 28 HB ILE 28 -5.641 -7.837 -4.828 195 HG12 ILE 28 1HG1 ILE 28 -4.507 -9.793 -5.770 196 HG13 ILE 28 2HG1 ILE 28 -5.720 -9.181 -6.889 197 HG21 ILE 28 1HG2 ILE 28 -6.270 -6.761 -6.934 198 HG22 ILE 28 2HG2 ILE 28 -5.433 -5.642 -5.859 199 HG23 ILE 28 3HG2 ILE 28 -4.580 -6.353 -7.229 200 HD11 ILE 28 3HD1 ILE 28 -3.236 -7.926 -7.468 201 HD12 ILE 28 1HD1 ILE 28 -2.986 -9.669 -7.360 202 HD13 ILE 28 2HD1 ILE 28 -4.191 -9.017 -8.472 203 H VAL 29 H VAL 29 -2.196 -5.295 -4.403 204 HA VAL 29 HA VAL 29 -3.513 -4.690 -1.879 205 HB VAL 29 HB VAL 29 -1.214 -3.277 -3.238 206 HG11 VAL 29 1HG1 VAL 29 -2.780 -2.715 -0.832 207 HG12 VAL 29 2HG1 VAL 29 -1.036 -2.742 -0.565 208 HG13 VAL 29 3HG1 VAL 29 -1.728 -1.660 -1.774 209 HG21 VAL 29 3HG2 VAL 29 -1.228 -5.789 -2.078 210 HG22 VAL 29 1HG2 VAL 29 0.187 -4.778 -2.367 211 HG23 VAL 29 2HG2 VAL 29 -0.622 -4.736 -0.800 212 H SER 30 H SER 30 -5.443 -3.729 -2.135 213 HA SER 30 HA SER 30 -5.812 -1.710 -4.202 214 HB2 SER 30 1HB SER 30 -8.182 -1.776 -3.549 215 HB3 SER 30 2HB SER 30 -7.572 -3.398 -3.878 216 HG SER 30 HG SER 30 -8.669 -3.547 -1.982 217 H TRP 31 H TRP 31 -7.050 0.296 -3.562 218 HA TRP 31 HA TRP 31 -6.969 1.301 -0.934 219 HB2 TRP 31 1HB TRP 31 -5.127 2.870 -1.063 220 HB3 TRP 31 2HB TRP 31 -4.519 1.242 -1.353 221 HD1 TRP 31 HD TRP 31 -5.314 4.501 -3.250 222 HE1 TRP 31 1HE TRP 31 -3.931 4.527 -5.421 223 HE3 TRP 31 3HE TRP 31 -3.302 -0.192 -2.988 224 HZ2 TRP 31 2HZ TRP 31 -2.216 2.789 -6.836 225 HZ3 TRP 31 3HZ TRP 31 -1.800 -0.933 -4.791 226 HH2 TRP 31 HH TRP 31 -1.270 0.527 -6.674 227 H GLN 32 H GLN 32 -7.232 3.779 -0.952 228 HA GLN 32 HA GLN 32 -8.652 4.615 -3.390 229 HB2 GLN 32 1HB GLN 32 -9.638 4.429 -0.617 230 HB3 GLN 32 2HB GLN 32 -10.020 5.934 -1.443 231 HG2 GLN 32 1HG GLN 32 -11.594 3.804 -1.550 232 HG3 GLN 32 2HG GLN 32 -11.447 4.945 -2.886 233 HE21 GLN 32 1HE2 GLN 32 -9.997 1.970 -1.626 234 HE22 GLN 32 2HE2 GLN 32 -9.714 1.247 -3.169 235 HA PRO 33 HA PRO 33 -6.384 8.365 -3.200 236 HB2 PRO 33 1HB PRO 33 -8.199 10.153 -4.141 237 HB3 PRO 33 2HB PRO 33 -7.407 8.955 -5.172 238 HG2 PRO 33 1HG PRO 33 -10.131 8.883 -3.932 239 HG3 PRO 33 2HG PRO 33 -9.636 8.425 -5.572 240 HD2 PRO 33 1HD PRO 33 -10.061 6.602 -3.615 241 HD3 PRO 33 2HD PRO 33 -8.854 6.365 -4.895 242 HA PRO 34 HA PRO 34 -7.362 10.186 0.725 243 HB2 PRO 34 1HB PRO 34 -5.466 12.129 0.682 244 HB3 PRO 34 2HB PRO 34 -5.094 10.429 0.995 245 HG2 PRO 34 1HG PRO 34 -4.826 11.991 -1.545 246 HG3 PRO 34 2HG PRO 34 -3.703 10.820 -0.828 247 HD2 PRO 34 1HD PRO 34 -5.375 10.179 -2.860 248 HD3 PRO 34 2HD PRO 34 -4.891 9.008 -1.616 249 H LEU 35 H LEU 35 -8.232 12.121 1.593 250 HA LEU 35 HA LEU 35 -9.792 13.633 -0.277 251 HB2 LEU 35 1HB LEU 35 -9.541 13.480 2.681 252 HB3 LEU 35 2HB LEU 35 -10.266 14.928 1.984 253 HG LEU 35 HG LEU 35 -11.968 13.330 2.677 254 HD11 LEU 35 1HD1 LEU 35 -12.331 12.981 -0.174 255 HD12 LEU 35 2HD1 LEU 35 -11.795 14.612 0.229 256 HD13 LEU 35 3HD1 LEU 35 -13.252 13.954 0.973 257 HD21 LEU 35 3HD2 LEU 35 -11.142 11.202 2.567 258 HD22 LEU 35 1HD2 LEU 35 -10.329 11.477 1.026 259 HD23 LEU 35 2HD2 LEU 35 -12.076 11.241 1.071 260 H GLU 36 H GLU 36 -6.993 14.265 1.777 261 HA GLU 36 HA GLU 36 -6.869 17.040 0.944 262 HB2 GLU 36 1HB GLU 36 -4.874 15.480 2.591 263 HB3 GLU 36 2HB GLU 36 -4.985 17.228 2.443 264 HG2 GLU 36 1HG GLU 36 -7.169 17.178 3.546 265 HG3 GLU 36 2HG GLU 36 -7.036 15.428 3.711 266 H ALA 37 H ALA 37 -6.712 15.339 -1.229 267 HA ALA 37 HA ALA 37 -4.055 14.724 -2.002 268 HB1 ALA 37 3HB ALA 37 -6.418 13.971 -2.950 269 HB2 ALA 37 1HB ALA 37 -6.090 15.280 -4.085 270 HB3 ALA 37 2HB ALA 37 -4.956 13.937 -3.936 271 H ASN 38 H ASN 38 -5.485 17.666 -1.530 272 HA ASN 38 HA ASN 38 -5.140 19.796 -2.301 273 HB2 ASN 38 1HB ASN 38 -2.413 18.537 -2.193 274 HB3 ASN 38 2HB ASN 38 -2.604 20.215 -2.694 275 HD21 ASN 38 1HD2 ASN 38 -1.935 18.313 -0.146 276 HD22 ASN 38 2HD2 ASN 38 -2.446 19.340 1.145 277 H GLY 39 H GLY 39 -5.878 17.849 -4.358 278 HA2 GLY 39 1HA GLY 39 -6.051 19.199 -6.621 279 HA3 GLY 39 2HA GLY 39 -4.362 18.721 -6.700 280 H LYS 40 H LYS 40 -4.244 17.198 -8.221 281 HA LYS 40 HA LYS 40 -6.053 14.887 -7.977 282 HB2 LYS 40 1HB LYS 40 -6.778 16.088 -9.918 283 HB3 LYS 40 2HB LYS 40 -5.126 16.282 -10.488 284 HG2 LYS 40 1HG LYS 40 -5.153 13.661 -10.501 285 HG3 LYS 40 2HG LYS 40 -6.900 13.896 -10.587 286 HD2 LYS 40 1HD LYS 40 -6.769 15.006 -12.637 287 HD3 LYS 40 2HD LYS 40 -5.050 15.356 -12.442 288 HE2 LYS 40 1HE LYS 40 -6.153 12.571 -12.750 289 HE3 LYS 40 2HE LYS 40 -5.615 13.555 -14.110 290 HZ1 LYS 40 3HZ LYS 40 -3.440 13.743 -12.852 291 HZ2 LYS 40 1HZ LYS 40 -3.789 12.239 -13.543 292 HZ3 LYS 40 2HZ LYS 40 -3.999 12.475 -11.882 293 H ILE 41 H ILE 41 -4.914 13.175 -7.377 294 HA ILE 41 HA ILE 41 -2.165 12.935 -7.319 295 HB ILE 41 HB ILE 41 -4.086 10.630 -7.648 296 HG12 ILE 41 1HG1 ILE 41 -4.887 11.984 -5.833 297 HG13 ILE 41 2HG1 ILE 41 -4.056 10.598 -5.135 298 HG21 ILE 41 1HG2 ILE 41 -1.267 10.754 -7.374 299 HG22 ILE 41 2HG2 ILE 41 -1.930 10.094 -5.880 300 HG23 ILE 41 3HG2 ILE 41 -2.305 9.329 -7.424 301 HD11 ILE 41 3HD1 ILE 41 -3.413 12.477 -3.873 302 HD12 ILE 41 1HD1 ILE 41 -2.036 12.083 -4.901 303 HD13 ILE 41 2HD1 ILE 41 -3.092 13.433 -5.319 304 H THR 42 H THR 42 -0.607 12.336 -8.713 305 HA THR 42 HA THR 42 -1.446 11.641 -11.451 306 HB THR 42 HB THR 42 0.817 12.518 -12.136 307 HG1 THR 42 1HG THR 42 2.023 13.612 -10.667 308 HG21 THR 42 3HG2 THR 42 -1.266 13.831 -12.376 309 HG22 THR 42 1HG2 THR 42 0.144 14.848 -12.084 310 HG23 THR 42 2HG2 THR 42 -0.992 14.519 -10.776 311 H ALA 43 H ALA 43 0.250 10.577 -8.690 312 HA ALA 43 HA ALA 43 0.880 8.071 -9.961 313 HB1 ALA 43 3HB ALA 43 3.212 8.084 -9.751 314 HB2 ALA 43 1HB ALA 43 2.822 9.650 -10.463 315 HB3 ALA 43 2HB ALA 43 3.202 9.532 -8.744 316 H TYR 44 H TYR 44 1.329 6.405 -8.477 317 HA TYR 44 HA TYR 44 0.953 7.130 -5.646 318 HB2 TYR 44 1HB TYR 44 -0.305 4.883 -7.215 319 HB3 TYR 44 2HB TYR 44 -0.240 4.883 -5.456 320 HD1 TYR 44 2HD TYR 44 -1.139 7.132 -4.348 321 HD2 TYR 44 1HD TYR 44 -2.196 5.734 -8.225 322 HE1 TYR 44 2HE TYR 44 -3.194 8.482 -4.269 323 HE2 TYR 44 1HE TYR 44 -4.253 7.081 -8.157 324 HH TYR 44 HH TYR 44 -5.711 8.093 -5.796 325 H ILE 45 H ILE 45 2.593 6.533 -4.408 326 HA ILE 45 HA ILE 45 4.390 4.414 -5.366 327 HB ILE 45 HB ILE 45 4.967 6.410 -3.181 328 HG12 ILE 45 1HG1 ILE 45 6.443 7.393 -5.122 329 HG13 ILE 45 2HG1 ILE 45 5.252 6.613 -6.156 330 HG21 ILE 45 1HG2 ILE 45 7.284 5.800 -3.574 331 HG22 ILE 45 2HG2 ILE 45 6.328 4.369 -3.192 332 HG23 ILE 45 3HG2 ILE 45 6.794 4.698 -4.861 333 HD11 ILE 45 3HD1 ILE 45 5.084 9.088 -4.720 334 HD12 ILE 45 1HD1 ILE 45 4.001 8.422 -5.942 335 HD13 ILE 45 2HD1 ILE 45 3.776 8.006 -4.243 336 H LEU 46 H LEU 46 4.300 2.498 -4.415 337 HA LEU 46 HA LEU 46 3.132 2.314 -1.720 338 HB2 LEU 46 1HB LEU 46 1.788 1.061 -3.159 339 HB3 LEU 46 2HB LEU 46 3.172 0.437 -4.054 340 HG LEU 46 HG LEU 46 3.704 -0.735 -1.752 341 HD11 LEU 46 1HD1 LEU 46 1.502 -1.480 -0.750 342 HD12 LEU 46 2HD1 LEU 46 0.764 -0.128 -1.608 343 HD13 LEU 46 3HD1 LEU 46 2.006 0.172 -0.392 344 HD21 LEU 46 3HD2 LEU 46 1.875 -1.511 -3.969 345 HD22 LEU 46 1HD2 LEU 46 2.018 -2.580 -2.573 346 HD23 LEU 46 2HD2 LEU 46 3.449 -2.167 -3.519 347 H PHE 47 H PHE 47 4.114 1.020 -0.152 348 HA PHE 47 HA PHE 47 6.811 0.034 -0.770 349 HB2 PHE 47 1HB PHE 47 6.142 1.555 1.752 350 HB3 PHE 47 2HB PHE 47 7.730 1.013 1.220 351 HD1 PHE 47 1HD PHE 47 4.910 3.082 -0.088 352 HD2 PHE 47 2HD PHE 47 9.117 2.611 0.354 353 HE1 PHE 47 1HE PHE 47 5.266 5.244 -1.208 354 HE2 PHE 47 2HE PHE 47 9.480 4.772 -0.765 355 HZ PHE 47 HZ PHE 47 7.554 6.092 -1.547 356 H TYR 48 H TYR 48 7.284 -1.911 0.073 357 HA TYR 48 HA TYR 48 5.616 -2.961 2.244 358 HB2 TYR 48 1HB TYR 48 5.443 -5.137 1.048 359 HB3 TYR 48 2HB TYR 48 4.596 -3.829 0.230 360 HD1 TYR 48 1HD TYR 48 7.526 -6.049 0.115 361 HD2 TYR 48 2HD TYR 48 5.308 -3.050 -1.931 362 HE1 TYR 48 1HE TYR 48 8.768 -6.547 -1.948 363 HE2 TYR 48 2HE TYR 48 6.544 -3.540 -4.001 364 HH TYR 48 HH TYR 48 7.902 -5.934 -4.810 365 H THR 49 H THR 49 6.635 -4.378 3.618 366 HA THR 49 HA THR 49 9.209 -5.501 3.019 367 HB THR 49 HB THR 49 9.686 -3.077 3.661 368 HG1 THR 49 1HG THR 49 11.482 -3.757 4.933 369 HG21 THR 49 3HG2 THR 49 8.134 -2.765 5.456 370 HG22 THR 49 1HG2 THR 49 9.758 -2.692 6.138 371 HG23 THR 49 2HG2 THR 49 8.784 -4.149 6.333 372 H LEU 50 H LEU 50 10.134 -6.598 5.030 373 HA LEU 50 HA LEU 50 7.932 -7.561 6.733 374 HB2 LEU 50 1HB LEU 50 8.788 -9.765 6.649 375 HB3 LEU 50 2HB LEU 50 8.695 -9.184 4.988 376 HG LEU 50 HG LEU 50 11.268 -9.088 6.532 377 HD11 LEU 50 1HD1 LEU 50 11.869 -11.244 5.727 378 HD12 LEU 50 2HD1 LEU 50 10.379 -11.381 4.795 379 HD13 LEU 50 3HD1 LEU 50 10.321 -11.406 6.557 380 HD21 LEU 50 3HD2 LEU 50 10.371 -8.549 3.808 381 HD22 LEU 50 1HD2 LEU 50 11.780 -9.608 3.889 382 HD23 LEU 50 2HD2 LEU 50 11.827 -8.018 4.651 383 H ASP 51 H ASP 51 10.629 -5.775 6.761 384 HA ASP 51 HA ASP 51 11.245 -6.517 9.540 385 HB2 ASP 51 1HB ASP 51 13.116 -6.166 7.247 386 HB3 ASP 51 2HB ASP 51 13.636 -5.589 8.828 387 H LYS 52 H LYS 52 9.509 -4.728 9.587 388 HA LYS 52 HA LYS 52 9.731 -2.141 8.906 389 HB2 LYS 52 1HB LYS 52 8.680 -1.555 11.108 390 HB3 LYS 52 2HB LYS 52 7.875 -2.852 10.234 391 HG2 LYS 52 1HG LYS 52 9.171 -4.467 11.667 392 HG3 LYS 52 2HG LYS 52 9.661 -3.079 12.640 393 HD2 LYS 52 1HD LYS 52 6.771 -3.644 12.054 394 HD3 LYS 52 2HD LYS 52 7.608 -4.421 13.400 395 HE2 LYS 52 1HE LYS 52 7.932 -2.412 14.521 396 HE3 LYS 52 2HE LYS 52 7.713 -1.449 13.061 397 HZ1 LYS 52 3HZ LYS 52 5.788 -2.214 14.976 398 HZ2 LYS 52 1HZ LYS 52 5.348 -2.840 13.467 399 HZ3 LYS 52 2HZ LYS 52 5.610 -1.179 13.650 400 H ASN 53 H ASN 53 11.829 -3.824 11.090 401 HA ASN 53 HA ASN 53 12.962 -1.952 12.671 402 HB2 ASN 53 1HB ASN 53 14.687 -3.812 11.039 403 HB3 ASN 53 2HB ASN 53 14.964 -3.231 12.678 404 HD21 ASN 53 1HD2 ASN 53 14.219 -5.875 11.029 405 HD22 ASN 53 2HD2 ASN 53 13.227 -6.706 12.173 406 H ILE 54 H ILE 54 13.492 -2.313 9.203 407 HA ILE 54 HA ILE 54 15.436 -0.183 9.110 408 HB ILE 54 HB ILE 54 15.180 -0.456 6.608 409 HG12 ILE 54 1HG1 ILE 54 13.688 -2.981 7.278 410 HG13 ILE 54 2HG1 ILE 54 12.828 -1.484 6.937 411 HG21 ILE 54 1HG2 ILE 54 16.945 -1.548 7.929 412 HG22 ILE 54 2HG2 ILE 54 15.885 -2.936 8.171 413 HG23 ILE 54 3HG2 ILE 54 16.442 -2.525 6.549 414 HD11 ILE 54 3HD1 ILE 54 13.947 -3.380 5.124 415 HD12 ILE 54 1HD1 ILE 54 12.946 -1.969 4.787 416 HD13 ILE 54 2HD1 ILE 54 14.700 -1.805 4.874 417 HA PRO 55 HA PRO 55 12.768 3.243 8.469 418 HB2 PRO 55 1HB PRO 55 14.221 4.738 6.730 419 HB3 PRO 55 2HB PRO 55 14.652 4.557 8.435 420 HG2 PRO 55 1HG PRO 55 15.756 3.138 6.041 421 HG3 PRO 55 2HG PRO 55 16.617 3.811 7.438 422 HD2 PRO 55 1HD PRO 55 16.067 1.170 7.198 423 HD3 PRO 55 2HD PRO 55 16.132 1.993 8.770 424 H ILE 56 H ILE 56 11.087 3.816 7.193 425 HA ILE 56 HA ILE 56 10.111 2.313 5.168 426 HB ILE 56 HB ILE 56 8.876 4.164 6.257 427 HG12 ILE 56 1HG1 ILE 56 7.697 4.943 4.150 428 HG13 ILE 56 2HG1 ILE 56 8.929 4.078 3.238 429 HG21 ILE 56 1HG2 ILE 56 10.193 6.016 4.294 430 HG22 ILE 56 2HG2 ILE 56 9.170 6.420 5.672 431 HG23 ILE 56 3HG2 ILE 56 10.799 5.800 5.936 432 HD11 ILE 56 3HD1 ILE 56 7.612 2.305 3.357 433 HD12 ILE 56 1HD1 ILE 56 8.001 2.223 5.075 434 HD13 ILE 56 2HD1 ILE 56 6.558 3.084 4.537 435 H ASP 57 H ASP 57 12.675 4.631 4.943 436 HA ASP 57 HA ASP 57 12.624 5.043 2.142 437 HB2 ASP 57 1HB ASP 57 14.893 5.269 4.129 438 HB3 ASP 57 2HB ASP 57 14.979 5.812 2.456 439 H ASP 58 H ASP 58 14.424 2.782 4.200 440 HA ASP 58 HA ASP 58 15.868 1.563 2.091 441 HB2 ASP 58 1HB ASP 58 15.326 0.937 4.951 442 HB3 ASP 58 2HB ASP 58 15.891 -0.378 3.925 443 H TRP 59 H TRP 59 12.661 1.139 3.333 444 HA TRP 59 HA TRP 59 12.037 -1.442 2.602 445 HB2 TRP 59 1HB TRP 59 10.328 1.047 2.433 446 HB3 TRP 59 2HB TRP 59 9.701 -0.590 2.258 447 HD1 TRP 59 HD TRP 59 12.369 0.052 4.892 448 HE1 TRP 59 1HE TRP 59 11.311 -0.181 7.227 449 HE3 TRP 59 3HE TRP 59 7.456 -0.302 3.524 450 HZ2 TRP 59 2HZ TRP 59 8.734 -0.476 8.341 451 HZ3 TRP 59 3HZ TRP 59 5.757 -0.559 5.285 452 HH2 TRP 59 HH TRP 59 6.385 -0.644 7.643 453 H ILE 60 H ILE 60 10.400 -1.917 0.720 454 HA ILE 60 HA ILE 60 11.827 -1.265 -1.740 455 HB ILE 60 HB ILE 60 9.669 -3.302 -1.184 456 HG12 ILE 60 1HG1 ILE 60 11.698 -4.814 -1.854 457 HG13 ILE 60 2HG1 ILE 60 12.658 -3.403 -1.424 458 HG21 ILE 60 1HG2 ILE 60 10.649 -2.202 -3.676 459 HG22 ILE 60 2HG2 ILE 60 10.898 -3.944 -3.583 460 HG23 ILE 60 3HG2 ILE 60 9.280 -3.272 -3.376 461 HD11 ILE 60 3HD1 ILE 60 10.771 -4.911 0.367 462 HD12 ILE 60 1HD1 ILE 60 12.532 -4.897 0.448 463 HD13 ILE 60 2HD1 ILE 60 11.620 -3.432 0.814 464 H MET 61 H MET 61 11.172 0.657 -2.533 465 HA MET 61 HA MET 61 8.415 1.486 -2.434 466 HB2 MET 61 1HB MET 61 10.240 3.120 -2.223 467 HB3 MET 61 2HB MET 61 10.783 2.727 -3.849 468 HG2 MET 61 1HG MET 61 8.197 3.367 -4.317 469 HG3 MET 61 2HG MET 61 8.564 4.420 -2.952 470 HE1 MET 61 3HE MET 61 10.944 3.109 -5.802 471 HE2 MET 61 1HE MET 61 9.437 3.458 -6.650 472 HE3 MET 61 2HE MET 61 10.867 4.446 -6.951 473 H GLU 62 H GLU 62 7.000 1.716 -4.160 474 HA GLU 62 HA GLU 62 7.826 0.633 -6.751 475 HB2 GLU 62 1HB GLU 62 5.723 -0.470 -4.947 476 HB3 GLU 62 2HB GLU 62 5.421 -0.487 -6.678 477 HG2 GLU 62 1HG GLU 62 7.555 -1.898 -5.130 478 HG3 GLU 62 2HG GLU 62 6.357 -2.567 -6.237 479 H THR 63 H THR 63 7.218 1.942 -8.334 480 HA THR 63 HA THR 63 5.391 4.116 -7.801 481 HB THR 63 HB THR 63 6.791 3.425 -10.391 482 HG1 THR 63 1HG THR 63 8.426 3.885 -9.029 483 HG21 THR 63 3HG2 THR 63 5.709 5.162 -11.267 484 HG22 THR 63 1HG2 THR 63 6.329 6.212 -9.994 485 HG23 THR 63 2HG2 THR 63 4.809 5.349 -9.762 486 H ILE 64 H ILE 64 3.339 4.325 -8.498 487 HA ILE 64 HA ILE 64 2.286 2.286 -10.341 488 HB ILE 64 HB ILE 64 0.698 3.359 -8.018 489 HG12 ILE 64 1HG1 ILE 64 1.812 0.589 -8.000 490 HG13 ILE 64 2HG1 ILE 64 2.872 1.916 -7.536 491 HG21 ILE 64 1HG2 ILE 64 0.256 1.423 -10.201 492 HG22 ILE 64 2HG2 ILE 64 -0.366 0.969 -8.615 493 HG23 ILE 64 3HG2 ILE 64 -0.886 2.477 -9.366 494 HD11 ILE 64 3HD1 ILE 64 1.780 2.288 -5.597 495 HD12 ILE 64 1HD1 ILE 64 0.211 1.837 -6.263 496 HD13 ILE 64 2HD1 ILE 64 1.363 0.586 -5.797 497 H SER 65 H SER 65 0.490 2.928 -11.615 498 HA SER 65 HA SER 65 0.626 5.536 -12.622 499 HB2 SER 65 1HB SER 65 -0.219 3.885 -14.086 500 HB3 SER 65 2HB SER 65 -1.419 3.341 -12.914 501 HG SER 65 HG SER 65 -2.725 4.874 -13.542 502 H GLY 66 H GLY 66 -0.389 7.396 -12.140 503 HA2 GLY 66 1HA GLY 66 -1.628 7.763 -9.652 504 HA3 GLY 66 2HA GLY 66 -1.654 8.917 -10.977 505 H ASP 67 H ASP 67 -2.928 6.578 -12.577 506 HA ASP 67 HA ASP 67 -5.655 7.356 -11.944 507 HB2 ASP 67 1HB ASP 67 -4.560 7.140 -14.313 508 HB3 ASP 67 2HB ASP 67 -4.938 5.429 -14.125 509 H ARG 68 H ARG 68 -3.582 4.543 -11.781 510 HA ARG 68 HA ARG 68 -5.739 2.740 -11.129 511 HB2 ARG 68 1HB ARG 68 -2.764 2.283 -10.862 512 HB3 ARG 68 2HB ARG 68 -4.024 1.056 -10.897 513 HG2 ARG 68 1HG ARG 68 -4.515 1.560 -13.201 514 HG3 ARG 68 2HG ARG 68 -3.367 2.900 -13.183 515 HD2 ARG 68 1HD ARG 68 -1.679 1.037 -12.443 516 HD3 ARG 68 2HD ARG 68 -2.861 -0.040 -13.186 517 HE ARG 68 HE ARG 68 -2.129 2.152 -14.877 518 HH11 ARG 68 1HH1 ARG 68 -1.210 -1.027 -13.798 519 HH12 ARG 68 2HH1 ARG 68 -0.292 -1.388 -15.223 520 HH21 ARG 68 1HH2 ARG 68 -0.924 1.690 -16.758 521 HH22 ARG 68 2HH2 ARG 68 -0.129 0.159 -16.905 522 H LEU 69 H LEU 69 -6.055 1.710 -9.123 523 HA LEU 69 HA LEU 69 -4.879 3.125 -6.821 524 HB2 LEU 69 1HB LEU 69 -7.687 2.133 -7.239 525 HB3 LEU 69 2HB LEU 69 -7.051 2.567 -5.653 526 HG LEU 69 HG LEU 69 -7.382 4.422 -8.010 527 HD11 LEU 69 1HD1 LEU 69 -9.115 5.465 -6.694 528 HD12 LEU 69 2HD1 LEU 69 -8.839 4.330 -5.373 529 HD13 LEU 69 3HD1 LEU 69 -9.485 3.754 -6.910 530 HD21 LEU 69 3HD2 LEU 69 -6.921 6.087 -6.025 531 HD22 LEU 69 1HD2 LEU 69 -5.595 5.370 -6.940 532 HD23 LEU 69 2HD2 LEU 69 -6.041 4.707 -5.367 533 H THR 70 H THR 70 -4.382 0.474 -8.332 534 HA THR 70 HA THR 70 -4.170 -1.156 -5.897 535 HB THR 70 HB THR 70 -4.919 -3.130 -6.937 536 HG1 THR 70 1HG THR 70 -3.892 -2.851 -8.962 537 HG21 THR 70 3HG2 THR 70 -6.828 -1.879 -6.337 538 HG22 THR 70 1HG2 THR 70 -7.153 -2.463 -7.969 539 HG23 THR 70 2HG2 THR 70 -6.648 -0.792 -7.714 540 H HIS 71 H HIS 71 -2.510 -2.812 -6.002 541 HA HIS 71 HA HIS 71 -0.544 -2.548 -8.138 542 HB2 HIS 71 1HB HIS 71 0.247 -0.885 -6.600 543 HB3 HIS 71 2HB HIS 71 0.046 -1.975 -5.231 544 HD1 HIS 71 1HD HIS 71 2.286 -1.325 -8.176 545 HD2 HIS 71 2HD HIS 71 2.151 -3.726 -4.788 546 HE1 HIS 71 1HE HIS 71 4.570 -2.360 -7.994 547 HE2 HIS 71 2HE HIS 71 4.438 -3.875 -5.987 548 H GLN 72 H GLN 72 0.140 -4.497 -8.717 549 HA GLN 72 HA GLN 72 -0.307 -6.742 -6.890 550 HB2 GLN 72 1HB GLN 72 -1.258 -6.807 -9.205 551 HB3 GLN 72 2HB GLN 72 0.386 -6.819 -9.830 552 HG2 GLN 72 1HG GLN 72 0.770 -8.914 -8.509 553 HG3 GLN 72 2HG GLN 72 -0.959 -8.927 -8.164 554 HE21 GLN 72 1HE2 GLN 72 1.101 -10.514 -9.889 555 HE22 GLN 72 2HE2 GLN 72 0.232 -10.772 -11.359 556 H ILE 73 H ILE 73 1.331 -7.635 -5.836 557 HA ILE 73 HA ILE 73 4.067 -7.014 -6.701 558 HB ILE 73 HB ILE 73 3.140 -8.100 -4.040 559 HG12 ILE 73 1HG1 ILE 73 4.095 -5.300 -4.635 560 HG13 ILE 73 2HG1 ILE 73 2.391 -5.741 -4.653 561 HG21 ILE 73 1HG2 ILE 73 5.454 -7.272 -3.362 562 HG22 ILE 73 2HG2 ILE 73 5.376 -8.745 -4.327 563 HG23 ILE 73 3HG2 ILE 73 5.810 -7.215 -5.088 564 HD11 ILE 73 3HD1 ILE 73 4.281 -5.586 -2.353 565 HD12 ILE 73 1HD1 ILE 73 2.668 -4.896 -2.532 566 HD13 ILE 73 2HD1 ILE 73 2.862 -6.629 -2.266 567 H MET 74 H MET 74 5.649 -8.632 -6.846 568 HA MET 74 HA MET 74 4.656 -11.400 -6.859 569 HB2 MET 74 1HB MET 74 6.365 -10.086 -8.977 570 HB3 MET 74 2HB MET 74 6.046 -11.813 -8.888 571 HG2 MET 74 1HG MET 74 3.539 -10.990 -8.897 572 HG3 MET 74 2HG MET 74 4.257 -9.588 -9.687 573 HE1 MET 74 3HE MET 74 2.834 -9.792 -11.395 574 HE2 MET 74 1HE MET 74 3.638 -10.259 -12.894 575 HE3 MET 74 2HE MET 74 2.362 -11.276 -12.225 576 H ASP 75 H ASP 75 6.460 -13.011 -6.856 577 HA ASP 75 HA ASP 75 8.301 -13.913 -5.870 578 HB2 ASP 75 1HB ASP 75 9.458 -11.135 -6.180 579 HB3 ASP 75 2HB ASP 75 10.371 -12.611 -5.879 580 H LEU 76 H LEU 76 6.395 -13.407 -4.099 581 HA LEU 76 HA LEU 76 7.663 -11.997 -1.854 582 HB2 LEU 76 1HB LEU 76 4.824 -12.697 -2.501 583 HB3 LEU 76 2HB LEU 76 5.306 -12.322 -0.847 584 HG LEU 76 HG LEU 76 5.470 -10.485 -3.234 585 HD11 LEU 76 1HD1 LEU 76 3.968 -9.222 -1.389 586 HD12 LEU 76 2HD1 LEU 76 3.531 -10.898 -1.059 587 HD13 LEU 76 3HD1 LEU 76 3.305 -10.231 -2.676 588 HD21 LEU 76 3HD2 LEU 76 7.349 -9.994 -1.873 589 HD22 LEU 76 1HD2 LEU 76 6.404 -10.149 -0.392 590 HD23 LEU 76 2HD2 LEU 76 6.117 -8.793 -1.483 591 H ASN 77 H ASN 77 7.730 -12.973 0.219 592 HA ASN 77 HA ASN 77 8.451 -15.704 0.197 593 HB2 ASN 77 1HB ASN 77 8.026 -13.670 2.366 594 HB3 ASN 77 2HB ASN 77 8.324 -15.357 2.774 595 HD21 ASN 77 1HD2 ASN 77 10.078 -13.588 3.682 596 HD22 ASN 77 2HD2 ASN 77 11.562 -13.659 2.801 597 H LEU 78 H LEU 78 7.491 -17.354 1.677 598 HA LEU 78 HA LEU 78 4.563 -17.296 1.430 599 HB2 LEU 78 1HB LEU 78 6.481 -19.606 1.678 600 HB3 LEU 78 2HB LEU 78 4.726 -19.768 1.664 601 HG LEU 78 HG LEU 78 5.712 -20.332 -0.501 602 HD11 LEU 78 1HD1 LEU 78 3.722 -19.647 -1.209 603 HD12 LEU 78 2HD1 LEU 78 4.474 -18.103 -1.608 604 HD13 LEU 78 3HD1 LEU 78 3.689 -18.323 -0.044 605 HD21 LEU 78 3HD2 LEU 78 6.516 -17.454 -0.793 606 HD22 LEU 78 1HD2 LEU 78 6.945 -18.831 -1.808 607 HD23 LEU 78 2HD2 LEU 78 7.635 -18.678 -0.191 608 H ASP 79 H ASP 79 3.244 -17.851 3.156 609 HA ASP 79 HA ASP 79 2.601 -17.709 5.345 610 HB2 ASP 79 1HB ASP 79 3.533 -19.413 6.780 611 HB3 ASP 79 2HB ASP 79 3.403 -20.063 5.148 612 H THR 80 H THR 80 4.250 -15.571 4.559 613 HA THR 80 HA THR 80 5.595 -14.975 7.110 614 HB THR 80 HB THR 80 6.556 -14.020 4.407 615 HG1 THR 80 1HG THR 80 6.856 -16.336 4.881 616 HG21 THR 80 3HG2 THR 80 8.076 -13.961 6.995 617 HG22 THR 80 1HG2 THR 80 6.977 -12.655 6.555 618 HG23 THR 80 2HG2 THR 80 8.357 -13.032 5.524 619 H MET 81 H MET 81 5.249 -12.969 7.964 620 HA MET 81 HA MET 81 2.999 -11.499 6.968 621 HB2 MET 81 1HB MET 81 3.691 -11.870 9.422 622 HB3 MET 81 2HB MET 81 4.841 -10.567 9.156 623 HG2 MET 81 1HG MET 81 3.226 -8.972 9.036 624 HG3 MET 81 2HG MET 81 2.016 -10.087 8.404 625 HE1 MET 81 3HE MET 81 0.241 -11.503 11.348 626 HE2 MET 81 1HE MET 81 -0.101 -10.469 9.961 627 HE3 MET 81 2HE MET 81 0.893 -11.913 9.761 628 H TYR 82 H TYR 82 2.956 -9.645 5.830 629 HA TYR 82 HA TYR 82 5.511 -8.277 5.319 630 HB2 TYR 82 1HB TYR 82 3.540 -9.378 3.387 631 HB3 TYR 82 2HB TYR 82 4.259 -7.821 2.993 632 HD1 TYR 82 1HD TYR 82 6.917 -7.771 3.329 633 HD2 TYR 82 2HD TYR 82 4.600 -11.263 2.593 634 HE1 TYR 82 1HE TYR 82 8.918 -8.910 2.464 635 HE2 TYR 82 2HE TYR 82 6.595 -12.412 1.728 636 HH TYR 82 HH TYR 82 9.249 -12.071 2.163 637 H TYR 83 H TYR 83 5.431 -6.238 5.956 638 HA TYR 83 HA TYR 83 2.936 -4.964 6.592 639 HB2 TYR 83 1HB TYR 83 5.684 -3.711 6.558 640 HB3 TYR 83 2HB TYR 83 4.268 -3.155 7.442 641 HD1 TYR 83 1HD TYR 83 3.402 -5.935 8.417 642 HD2 TYR 83 2HD TYR 83 7.152 -3.925 8.425 643 HE1 TYR 83 1HE TYR 83 4.099 -7.256 10.371 644 HE2 TYR 83 2HE TYR 83 7.860 -5.241 10.378 645 HH TYR 83 HH TYR 83 5.663 -7.551 11.932 646 H PHE 84 H PHE 84 1.802 -3.551 5.412 647 HA PHE 84 HA PHE 84 2.924 -2.734 2.818 648 HB2 PHE 84 1HB PHE 84 0.088 -3.216 3.719 649 HB3 PHE 84 2HB PHE 84 0.463 -2.349 2.234 650 HD1 PHE 84 1HD PHE 84 1.686 -3.517 0.408 651 HD2 PHE 84 2HD PHE 84 0.210 -5.567 3.833 652 HE1 PHE 84 1HE PHE 84 1.879 -5.655 -0.793 653 HE2 PHE 84 2HE PHE 84 0.402 -7.709 2.638 654 HZ PHE 84 HZ PHE 84 1.238 -7.755 0.322 655 H ARG 85 H ARG 85 3.107 -0.626 2.308 656 HA ARG 85 HA ARG 85 1.698 1.389 3.864 657 HB2 ARG 85 1HB ARG 85 4.652 0.952 3.939 658 HB3 ARG 85 2HB ARG 85 4.044 2.601 3.990 659 HG2 ARG 85 1HG ARG 85 2.635 1.938 5.941 660 HG3 ARG 85 2HG ARG 85 3.468 0.382 5.936 661 HD2 ARG 85 1HD ARG 85 5.425 1.272 6.695 662 HD3 ARG 85 2HD ARG 85 5.136 2.835 5.932 663 HE ARG 85 HE ARG 85 3.272 2.810 7.852 664 HH11 ARG 85 1HH1 ARG 85 6.672 2.066 7.920 665 HH12 ARG 85 2HH1 ARG 85 6.884 2.573 9.563 666 HH21 ARG 85 1HH2 ARG 85 3.537 3.480 10.017 667 HH22 ARG 85 2HH2 ARG 85 5.100 3.375 10.755 668 H ILE 86 H ILE 86 0.689 2.371 2.219 669 HA ILE 86 HA ILE 86 2.307 3.182 -0.108 670 HB ILE 86 HB ILE 86 0.517 1.648 -0.733 671 HG12 ILE 86 1HG1 ILE 86 -0.233 4.444 -1.599 672 HG13 ILE 86 2HG1 ILE 86 1.184 3.593 -2.204 673 HG21 ILE 86 1HG2 ILE 86 -1.662 3.523 -0.129 674 HG22 ILE 86 2HG2 ILE 86 -1.608 1.765 -0.009 675 HG23 ILE 86 3HG2 ILE 86 -0.920 2.758 1.276 676 HD11 ILE 86 3HD1 ILE 86 -0.403 3.216 -3.837 677 HD12 ILE 86 1HD1 ILE 86 -0.488 1.749 -2.863 678 HD13 ILE 86 2HD1 ILE 86 -1.707 3.010 -2.668 679 H GLN 87 H GLN 87 1.649 5.227 -1.138 680 HA GLN 87 HA GLN 87 0.283 7.119 0.615 681 HB2 GLN 87 1HB GLN 87 2.150 8.780 0.242 682 HB3 GLN 87 2HB GLN 87 2.525 7.448 1.327 683 HG2 GLN 87 1HG GLN 87 3.541 6.308 -0.724 684 HG3 GLN 87 2HG GLN 87 3.465 7.900 -1.479 685 HE21 GLN 87 1HE2 GLN 87 3.990 9.385 0.899 686 HE22 GLN 87 2HE2 GLN 87 5.654 9.144 1.299 687 H ALA 88 H ALA 88 0.562 9.427 -0.655 688 HA ALA 88 HA ALA 88 -0.235 8.879 -3.440 689 HB1 ALA 88 3HB ALA 88 -2.233 9.463 -2.364 690 HB2 ALA 88 1HB ALA 88 -1.458 10.741 -1.427 691 HB3 ALA 88 2HB ALA 88 -1.707 10.946 -3.162 692 H ARG 89 H ARG 89 0.600 10.160 -5.016 693 HA ARG 89 HA ARG 89 2.241 12.458 -4.203 694 HB2 ARG 89 1HB ARG 89 3.844 10.726 -4.529 695 HB3 ARG 89 2HB ARG 89 3.056 10.180 -6.003 696 HG2 ARG 89 1HG ARG 89 3.676 12.322 -7.076 697 HG3 ARG 89 2HG ARG 89 4.559 12.758 -5.612 698 HD2 ARG 89 1HD ARG 89 6.044 10.885 -5.890 699 HD3 ARG 89 2HD ARG 89 5.096 10.286 -7.252 700 HE ARG 89 HE ARG 89 7.103 12.313 -7.319 701 HH11 ARG 89 1HH1 ARG 89 4.131 11.258 -8.793 702 HH12 ARG 89 2HH1 ARG 89 4.458 12.028 -10.310 703 HH21 ARG 89 1HH2 ARG 89 7.545 13.331 -9.311 704 HH22 ARG 89 2HH2 ARG 89 6.401 13.207 -10.604 705 H ASN 90 H ASN 90 1.835 14.235 -5.349 706 HA ASN 90 HA ASN 90 0.400 13.938 -7.906 707 HB2 ASN 90 1HB ASN 90 -0.515 16.237 -7.406 708 HB3 ASN 90 2HB ASN 90 -1.071 14.964 -6.324 709 HD21 ASN 90 1HD2 ASN 90 -1.582 16.536 -4.768 710 HD22 ASN 90 2HD2 ASN 90 -0.355 17.282 -3.808 711 H SER 91 H SER 91 0.667 15.927 -9.340 712 HA SER 91 HA SER 91 3.135 16.148 -10.376 713 HB2 SER 91 1HB SER 91 1.077 18.352 -10.149 714 HB3 SER 91 2HB SER 91 2.495 18.440 -11.192 715 HG SER 91 HG SER 91 0.256 16.743 -11.375 716 H LYS 92 H LYS 92 1.998 17.752 -7.492 717 HA LYS 92 HA LYS 92 4.205 19.549 -7.247 718 HB2 LYS 92 1HB LYS 92 2.387 18.580 -5.040 719 HB3 LYS 92 2HB LYS 92 3.329 20.065 -5.072 720 HG2 LYS 92 1HG LYS 92 1.252 19.586 -7.160 721 HG3 LYS 92 2HG LYS 92 0.777 20.128 -5.548 722 HD2 LYS 92 1HD LYS 92 2.549 21.961 -5.861 723 HD3 LYS 92 2HD LYS 92 2.505 21.523 -7.571 724 HE2 LYS 92 1HE LYS 92 0.103 21.972 -7.624 725 HE3 LYS 92 2HE LYS 92 0.139 22.394 -5.913 726 HZ1 LYS 92 3HZ LYS 92 0.372 24.456 -6.753 727 HZ2 LYS 92 1HZ LYS 92 1.026 23.924 -8.220 728 HZ3 LYS 92 2HZ LYS 92 2.006 24.028 -6.846 729 H GLY 93 H GLY 93 3.293 16.817 -5.134 730 HA2 GLY 93 1HA GLY 93 5.921 15.676 -5.238 731 HA3 GLY 93 2HA GLY 93 5.641 16.558 -3.744 732 H VAL 94 H VAL 94 5.762 14.710 -2.465 733 HA VAL 94 HA VAL 94 3.405 12.957 -2.657 734 HB VAL 94 HB VAL 94 5.379 11.722 -3.452 735 HG11 VAL 94 1HG1 VAL 94 7.372 11.764 -2.446 736 HG12 VAL 94 2HG1 VAL 94 6.740 13.115 -1.502 737 HG13 VAL 94 3HG1 VAL 94 6.668 11.475 -0.856 738 HG21 VAL 94 3HG2 VAL 94 3.827 10.971 -1.066 739 HG22 VAL 94 1HG2 VAL 94 4.019 10.136 -2.608 740 HG23 VAL 94 2HG2 VAL 94 5.268 10.001 -1.371 741 H GLY 95 H GLY 95 2.379 12.501 -0.766 742 HA2 GLY 95 1HA GLY 95 3.251 14.024 1.568 743 HA3 GLY 95 2HA GLY 95 1.678 13.272 1.344 744 HA PRO 96 HA PRO 96 4.020 10.689 4.370 745 HB2 PRO 96 1HB PRO 96 1.900 10.307 6.023 746 HB3 PRO 96 2HB PRO 96 2.961 11.716 6.132 747 HG2 PRO 96 1HG PRO 96 0.275 11.464 4.835 748 HG3 PRO 96 2HG PRO 96 0.910 12.775 5.846 749 HD2 PRO 96 1HD PRO 96 0.817 12.934 3.145 750 HD3 PRO 96 2HD PRO 96 2.089 13.717 4.104 751 H LEU 97 H LEU 97 3.164 8.514 5.355 752 HA LEU 97 HA LEU 97 1.748 7.074 3.210 753 HB2 LEU 97 1HB LEU 97 3.718 5.884 5.147 754 HB3 LEU 97 2HB LEU 97 3.050 5.142 3.694 755 HG LEU 97 HG LEU 97 4.286 7.238 2.575 756 HD11 LEU 97 1HD1 LEU 97 6.339 7.763 3.638 757 HD12 LEU 97 2HD1 LEU 97 6.084 6.543 4.885 758 HD13 LEU 97 3HD1 LEU 97 5.071 7.985 4.843 759 HD21 LEU 97 3HD2 LEU 97 6.267 5.658 2.305 760 HD22 LEU 97 1HD2 LEU 97 4.689 5.064 1.788 761 HD23 LEU 97 2HD2 LEU 97 5.367 4.538 3.329 762 H SER 98 H SER 98 0.672 5.030 3.982 763 HA SER 98 HA SER 98 -0.985 5.686 6.270 764 HB2 SER 98 1HB SER 98 -1.845 4.757 4.042 765 HB3 SER 98 2HB SER 98 -1.199 3.203 4.568 766 HG SER 98 HG SER 98 -2.751 3.031 6.005 767 H ASP 99 H ASP 99 -1.592 3.844 7.773 768 HA ASP 99 HA ASP 99 0.689 3.014 9.192 769 HB2 ASP 99 1HB ASP 99 -0.845 1.787 10.620 770 HB3 ASP 99 2HB ASP 99 -1.543 3.353 10.216 771 HA PRO 100 HA PRO 100 1.900 -0.697 7.171 772 HB2 PRO 100 1HB PRO 100 3.056 -1.999 9.254 773 HB3 PRO 100 2HB PRO 100 3.801 -0.608 8.458 774 HG2 PRO 100 1HG PRO 100 2.238 -0.719 11.009 775 HG3 PRO 100 2HG PRO 100 3.732 0.167 10.650 776 HD2 PRO 100 1HD PRO 100 1.300 1.358 10.667 777 HD3 PRO 100 2HD PRO 100 2.610 1.878 9.588 778 H ILE 101 H ILE 101 0.353 -2.077 6.538 779 HA ILE 101 HA ILE 101 -1.428 -3.313 8.465 780 HB ILE 101 HB ILE 101 -1.307 -3.726 5.476 781 HG12 ILE 101 1HG1 ILE 101 -2.885 -1.775 7.159 782 HG13 ILE 101 2HG1 ILE 101 -1.744 -1.402 5.871 783 HG21 ILE 101 1HG2 ILE 101 -3.257 -4.912 5.621 784 HG22 ILE 101 2HG2 ILE 101 -2.509 -5.362 7.152 785 HG23 ILE 101 3HG2 ILE 101 -3.758 -4.118 7.114 786 HD11 ILE 101 3HD1 ILE 101 -4.562 -1.886 5.726 787 HD12 ILE 101 1HD1 ILE 101 -3.458 -1.300 4.481 788 HD13 ILE 101 2HD1 ILE 101 -3.692 -3.034 4.709 789 H LEU 102 H LEU 102 -1.392 -5.396 9.119 790 HA LEU 102 HA LEU 102 0.929 -6.991 8.324 791 HB2 LEU 102 1HB LEU 102 -0.831 -6.862 10.706 792 HB3 LEU 102 2HB LEU 102 -0.137 -8.431 10.300 793 HG LEU 102 HG LEU 102 2.103 -7.529 10.511 794 HD11 LEU 102 1HD1 LEU 102 0.910 -4.925 11.413 795 HD12 LEU 102 2HD1 LEU 102 1.398 -5.210 9.743 796 HD13 LEU 102 3HD1 LEU 102 2.593 -5.295 11.036 797 HD21 LEU 102 3HD2 LEU 102 1.676 -8.287 12.585 798 HD22 LEU 102 1HD2 LEU 102 0.146 -7.417 12.702 799 HD23 LEU 102 2HD2 LEU 102 1.664 -6.573 13.005 800 H PHE 103 H PHE 103 0.451 -8.074 6.490 801 HA PHE 103 HA PHE 103 -1.931 -9.807 6.549 802 HB2 PHE 103 1HB PHE 103 -2.334 -8.111 4.898 803 HB3 PHE 103 2HB PHE 103 -0.730 -8.325 4.206 804 HD1 PHE 103 1HD PHE 103 -4.090 -9.760 4.511 805 HD2 PHE 103 2HD PHE 103 -0.259 -10.120 2.693 806 HE1 PHE 103 1HE PHE 103 -5.003 -11.399 2.919 807 HE2 PHE 103 2HE PHE 103 -1.165 -11.759 1.098 808 HZ PHE 103 HZ PHE 103 -3.541 -12.400 1.209 809 H ARG 104 H ARG 104 -1.327 -11.850 6.774 810 HA ARG 104 HA ARG 104 1.320 -12.721 6.000 811 HB2 ARG 104 1HB ARG 104 -0.170 -13.425 8.076 812 HB3 ARG 104 2HB ARG 104 -0.770 -14.629 6.943 813 HG2 ARG 104 1HG ARG 104 1.208 -15.758 6.874 814 HG3 ARG 104 2HG ARG 104 2.169 -14.317 7.217 815 HD2 ARG 104 1HD ARG 104 2.367 -15.415 9.214 816 HD3 ARG 104 2HD ARG 104 0.926 -14.450 9.533 817 HE ARG 104 HE ARG 104 -0.332 -16.377 9.561 818 HH11 ARG 104 1HH1 ARG 104 2.854 -17.063 8.337 819 HH12 ARG 104 2HH1 ARG 104 2.647 -18.783 8.393 820 HH21 ARG 104 1HH2 ARG 104 -0.617 -18.639 9.639 821 HH22 ARG 104 2HH2 ARG 104 0.672 -19.677 9.133 822 H THR 105 H THR 105 1.798 -13.474 4.055 823 HA THR 105 HA THR 105 -0.095 -13.886 2.019 824 HB THR 105 HB THR 105 1.818 -14.979 0.781 825 HG1 THR 105 1HG THR 105 3.895 -14.654 1.896 826 HG21 THR 105 3HG2 THR 105 1.341 -12.327 1.369 827 HG22 THR 105 1HG2 THR 105 2.444 -12.928 0.131 828 HG23 THR 105 2HG2 THR 105 3.055 -12.518 1.734 829 H LEU 106 H LEU 106 -0.505 -15.882 0.830 830 HA LEU 106 HA LEU 106 -1.562 -17.906 2.397 831 HB2 LEU 106 1HB LEU 106 -0.893 -17.598 -0.470 832 HB3 LEU 106 2HB LEU 106 -1.174 -19.238 0.111 833 HG LEU 106 HG LEU 106 -3.124 -16.939 0.253 834 HD11 LEU 106 1HD1 LEU 106 -2.794 -19.274 -1.579 835 HD12 LEU 106 2HD1 LEU 106 -3.168 -17.593 -1.958 836 HD13 LEU 106 3HD1 LEU 106 -4.403 -18.632 -1.246 837 HD21 LEU 106 3HD2 LEU 106 -4.399 -19.389 0.718 838 HD22 LEU 106 1HD2 LEU 106 -4.133 -18.079 1.868 839 HD23 LEU 106 2HD2 LEU 106 -2.961 -19.391 1.741 840 H LYS 107 H LYS 107 -0.922 -20.285 2.183 841 HA LYS 107 HA LYS 107 1.991 -20.630 2.300 842 HB2 LYS 107 1HB LYS 107 0.143 -21.903 4.313 843 HB3 LYS 107 2HB LYS 107 1.901 -21.846 4.343 844 HG2 LYS 107 1HG LYS 107 1.274 -20.279 5.932 845 HG3 LYS 107 2HG LYS 107 1.615 -19.300 4.503 846 HD2 LYS 107 1HD LYS 107 -0.603 -18.813 4.143 847 HD3 LYS 107 2HD LYS 107 -1.166 -20.281 4.946 848 HE2 LYS 107 1HE LYS 107 -0.345 -19.270 7.105 849 HE3 LYS 107 2HE LYS 107 -0.107 -17.765 6.219 850 HZ1 LYS 107 3HZ LYS 107 -2.711 -19.173 6.287 851 HZ2 LYS 107 1HZ LYS 107 -2.398 -17.583 5.802 852 HZ3 LYS 107 2HZ LYS 107 -2.279 -18.008 7.435 853 H VAL 108 H VAL 108 2.522 -22.110 0.846 854 HA VAL 108 HA VAL 108 0.627 -23.927 -0.273 855 HB VAL 108 HB VAL 108 2.469 -24.791 -1.596 856 HG11 VAL 108 1HG1 VAL 108 3.340 -22.553 -2.498 857 HG12 VAL 108 2HG1 VAL 108 1.598 -22.832 -2.524 858 HG13 VAL 108 3HG1 VAL 108 2.310 -21.813 -1.273 859 HG21 VAL 108 3HG2 VAL 108 4.764 -23.892 -1.265 860 HG22 VAL 108 1HG2 VAL 108 4.214 -23.156 0.240 861 HG23 VAL 108 2HG2 VAL 108 4.207 -24.911 0.062 862 H SER 109 H SER 109 3.386 -24.275 1.927 863 HA SER 109 HA SER 109 2.369 -26.947 2.638 864 HB2 SER 109 1HB SER 109 4.528 -26.976 1.321 865 HB3 SER 109 2HB SER 109 5.285 -26.150 2.683 866 HG SER 109 HG SER 109 5.563 -28.100 3.415 867 H GLY 110 H GLY 110 2.638 -27.594 4.824 868 HA2 GLY 110 1HA GLY 110 3.848 -26.109 6.847 869 HA3 GLY 110 2HA GLY 110 2.197 -25.523 6.703 870 HA PRO 111 HA PRO 111 1.636 -28.795 9.734 871 HB2 PRO 111 1HB PRO 111 -0.843 -27.982 10.485 872 HB3 PRO 111 2HB PRO 111 0.638 -27.220 11.077 873 HG2 PRO 111 1HG PRO 111 -1.205 -26.334 8.891 874 HG3 PRO 111 2HG PRO 111 -0.433 -25.369 10.163 875 HD2 PRO 111 1HD PRO 111 0.514 -25.463 7.627 876 HD3 PRO 111 2HD PRO 111 1.575 -25.262 9.036 877 H SER 112 H SER 112 0.652 -30.749 9.595 878 HA SER 112 HA SER 112 -0.560 -31.538 7.179 879 HB2 SER 112 1HB SER 112 0.699 -32.970 8.928 880 HB3 SER 112 2HB SER 112 -0.859 -33.079 9.747 881 HG SER 112 HG SER 112 0.003 -34.277 7.424 882 H SER 113 H SER 113 -2.700 -33.047 7.587 883 HA SER 113 HA SER 113 -4.981 -32.738 7.406 884 HB2 SER 113 1HB SER 113 -4.774 -31.894 10.289 885 HB3 SER 113 2HB SER 113 -6.010 -32.888 9.519 886 HG SER 113 HG SER 113 -4.853 -34.512 10.157 887 H GLY 114 H GLY 114 -3.699 -30.447 6.468 888 HA2 GLY 114 1HA GLY 114 -5.090 -28.178 7.682 889 HA3 GLY 114 2HA GLY 114 -3.842 -28.090 6.448
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